A0A3Q0KUT3_SCHMA Loading...

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 A0A3Q0KUT3, 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
1M36.5Very low75.1Confident241 Ų24197 Ų97100%1.18751%0.509SS*.  0120.70-79.5160.915900105E3M1-E3 PolarHBondContact O-N 3.42Å
2A44Very low77.1Confident97 Ų9789.3 Ų89.380%0.80247%0.468SS*.  trans-58.5125.5164.400000105.3E4A2-E4 PolarHBondContact O-N 3.09Å; A2-E4 VanDerWaalsContact O-N 3.07Å
3E47.6Very low78.6Confident187 Ų18783.3 Ų83.387%0.87444%0.437SS*.  trans-52.5118.8167.8-71.3173.7164.900105.6M1 E5M1-E3 PolarHBondContact O-N 3.42Å; E3-E5 PolarHBondContact O-N 2.74Å
4E55.2Low79.8Confident186 Ų18678.4 Ų78.487%0.86942%0.416SS*.  trans-57.4113.7172.3-80.8-179.616200106.1A2 I6A2-E4 PolarHBondContact O-N 3.09Å; A2-E4 VanDerWaalsContact O-N 3.07Å; E4-I6 PolarHBondContact O-N 3.47Å
5E72Confident80.9Confident180 Ų18073.6 Ų73.684%0.84139%0.392SS*.  trans-64.3106.9-176.7-165.1171.6-165.400107.6E3 S7E3-E5 PolarHBondContact O-N 2.74Å; E5-S7 PolarHBondContact O-N 3.06Å; E5-S7 PolarHBondContact O-OG 2.95Å
6I85.2Confident81.8Confident114 Ų11469.7 Ų69.759%0.58538%0.375SS*.  trans-60.8109.4-177.1-64.1174.9000108E4 E101E4-I6 PolarHBondContact O-N 3.47Å; I6-E101 WeakPolarHBondContact CG2-O 3.39Å
7S92.7Very high82.7Confident55 Ų5569.7 Ų69.739%0.38537%0.373SS..PPolyproline II helixtrans-77131180-610000110.2E5 H102E5-S7 PolarHBondContact O-N 3.06Å; E5-S7 PolarHBondContact O-OG 2.95Å; S7-H102 PolarHBondContact O-ND1 3.09Å
8A97.5Very high83.6Confident7 Ų765.8 Ų65.86%0.05835%0.352CS..PPolyproline II helixtrans-68.6150174.200000111.2F22 A23 P103 A348 W357A8-F22 CarbonylContact O-C 3.26Å; A8-F22 WeakPolarHBondContact O-CA 3.48Å; A8-A23 HydrophobicContact CB-CB 4.13Å; A8-A23 PolarHBondContact O-N 2.76Å; A8-P103 CarbonylContact C-O 3.58Å; A8-P103 VanDerWaalsContact CA-O 3.31Å; A8-P103 WeakPolarHBondContact CA-O 3.24Å; A8-P103 HydrophobicContact CB-CB 4.06Å; A8-A348 HydrophobicContact CB-CB 4.15Å; A8-W357 HydrophobicContact CB-CH2 3.9Å; A8-W357 HydrophobicContact CB-CZ2 3.72Å
9L98.4Very high84.4Confident0 Ų063.6 Ų63.60%034%0.339CS..EExtended strand (participates in β ladder)trans-94.8138.5172.5-59176.3000109.7G21 F22 F91 L95 V97 H102 P103 V104 L105L9-G21 WeakPolarHBondContact CA-O 3.36Å; L9-F22 HydrophobicContact CD2-CD1 3.53Å; L9-F22 HydrophobicContact CD2-CE1 3.49Å; L9-F22 VanDerWaalsContact CD2-CE1 3.49Å; L9-F22 HydrophobicContact CD2-CG 4.19Å; L9-F22 HydrophobicContact CD2-CZ 4.12Å; L9-F91 HydrophobicContact CD1-CD1 3.78Å; L9-F91 HydrophobicContact CD1-CE1 3.65Å; L9-L95 HydrophobicContact CD1-CD1 4.41Å; L9-L95 HydrophobicContact CD2-CD1 4.02Å; L9-V97 HydrophobicContact CD1-CG2 3.7Å; L9-V97 HydrophobicContact CD2-CG2 4.44Å; L9-H102 HydrophobicContact CD1-CB 3.81Å; L9-H102 HydrophobicContact CG-CB 3.76Å; L9-P103 PolarHBondContact N-O 2.9Å; L9-V104 HydrophobicContact CB-CG2 4.45Å; L9-V104 CarbonylContact O-C 3.55Å; L9-V104 WeakPolarHBondContact O-CA 3.39Å; L9-L105 PolarHBondContact O-N 2.82Å
10V98.7Very high85.1Confident0 Ų060.5 Ų60.50%032%0.322CS..EExtended strand (participates in β ladder)trans-115.3123.3175.6178.80000108.4A20 G21 A23 L105 W341 A348V10-A20 VanDerWaalsContact O-CA 3.25Å; V10-A20 WeakPolarHBondContact O-CA 3.03Å; V10-G21 PolarHBondContact N-O 2.95Å; V10-G21 PolarHBondContact O-N 3.23Å; V10-A23 HydrophobicContact CG2-CB 4.27Å; V10-L105 WeakPolarHBondContact CA-O 3.48Å; V10-L105 HydrophobicContact CG1-CD2 4.19Å; V10-L105 HydrophobicContact CG2-CB 4.37Å; V10-W341 HydrophobicContact CG1-CG 4.25Å; V10-W341 PolarHBondContact O-NE1 3.19Å; V10-A348 HydrophobicContact CG2-CB 4.17Å
11I98.7Very high85.7Confident0 Ų057.6 Ų57.60%031%0.307CS..EExtended strand (participates in β ladder)trans-123.5107.4179.5-51.9177.9000109.4N13 K19 A20 T90 F91 V104 L105 L106 T107I11-N13 WeakPolarHBondContact CG2-OD1 3.32Å; I11-K19 WeakPolarHBondContact CA-O 3.29Å; I11-A20 HydrophobicContact CG1-CB 4.3Å; I11-T90 HydrophobicContact CD1-CG2 4.03Å; I11-T90 HydrophobicContact CG1-CG2 4.26Å; I11-F91 HydrophobicContact CD1-CD1 4.49Å; I11-F91 HydrophobicContact CD1-CE1 3.62Å; I11-F91 HydrophobicContact CD1-CE2 4.47Å; I11-F91 HydrophobicContact CD1-CZ 3.61Å; I11-V104 HydrophobicContact CD1-CG1 3.95Å; I11-V104 HydrophobicContact CG1-CG1 4.35Å; I11-L105 PolarHBondContact N-O 2.88Å; I11-L106 HydrophobicContact CB-CD2 3.94Å; I11-L106 HydrophobicContact CD1-CD2 4.1Å; I11-L106 HydrophobicContact CG1-CD2 4.43Å; I11-L106 HydrophobicContact CG2-CD2 4.44Å; I11-T107 PolarHBondContact O-N 3.04Å; I11-T107 VanDerWaalsContact O-N 3.07Å
12D98.5Very high88.7Confident4 Ų448 Ų482%0.02126%0.259CS..EExtended strand (participates in β ladder)trans-84108.6171172.525.4000110.5G14 C18 K19 T107 Q138 V340 W341D12-G14 PolarHBondContact O-N 3.24Å; D12-C18 WeakPolarHBondContact O-CA 3.43Å; D12-K19 HydrophobicContact CB-CB 4.17Å; D12-K19 PolarHBondContact N-O 3.43Å; D12-K19 PolarHBondContact O-N 2.89Å; D12-K19 VanDerWaalsContact O-N 3.08Å; D12-K19 IonicContact OD2-NZ 3.23Å; D12-K19 PolarHBondContact OD2-NZ 3.32Å; D12-T107 VanDerWaalsContact CA-OG1 3.29Å; D12-T107 WeakPolarHBondContact CA-OG1 3.43Å; D12-T107 HydrophobicContact CB-CG2 4.13Å; D12-T107 PolarHBondContact OD1-OG1 2.95Å; D12-Q138 PolarHBondContact OD1-NE2 2.81Å; D12-V340 HydrophobicContact CB-CG1 4.11Å; D12-V340 WeakPolarHBondContact OD1-CG1 3.22Å; D12-W341 HydrophobicContact CB-CB 4.17Å
13N96.5Very high91.2Very high12 Ų1244 Ų446%0.06423%0.226CC..EExtended strand (participates in β ladder)trans-87.477.9-177.4-59.5-57000111.2I11 I72 M83 W87 T107 Q138I11-N13 WeakPolarHBondContact CG2-OD1 3.32Å; N13-I72 HydrophobicContact CB-CD1 4.05Å; N13-M83 HydrophobicContact CB-CE 4.29Å; N13-M83 VanDerWaalsContact OD1-CE 3.24Å; N13-M83 WeakPolarHBondContact OD1-CE 3.32Å; N13-W87 PolarHBondContact OD1-NE1 2.95Å; N13-T107 PolarHBondContact N-OG1 2.87Å; N13-T107 PolarHBondContact ND2-O 2.81Å; N13-T107 VanDerWaalsContact ND2-O 3.14Å; N13-Q138 PolarHBondContact O-NE2 2.83Å
14G96.4Very high93.4Very high14 Ų1437.5 Ų37.514%0.14421%0.209CC..  trans-84.7149.6175.400000113.5D12 G16 M17 S34D12-G14 PolarHBondContact O-N 3.24Å; G14-G16 VanDerWaalsContact C-N 3.27Å; G14-G16 PolarHBondContact O-N 3.24Å; G14-M17 WeakPolarHBondContact CA-O 3.29Å; G14-M17 PolarHBondContact N-O 2.74Å; G14-S34 VanDerWaalsContact O-CB 3.27Å; G14-S34 WeakPolarHBondContact O-CB 3.16Å; G14-S34 PolarHBondContact O-OG 3.37Å
15S96.1Very high95.4Very high7 Ų730.7 Ų30.75%0.04918%0.178CC..SBendtrans-64.1-28.3178-540000115I72 G75 R184S15-I72 WeakPolarHBondContact OG-CG2 3.39Å; S15-G75 WeakPolarHBondContact OG-CA 3.27Å; S15-G75 PolarHBondContact OG-N 2.76Å; S15-R184 PolarHBondContact O-NH2 2.87Å
16G95.6Very high96.5Very high11 Ų1129.6 Ų29.611%0.11318%0.178CC..SBendtrans-101.3-38.9177.500000112.7G14 P33 S34 D158G14-G16 VanDerWaalsContact C-N 3.27Å; G14-G16 PolarHBondContact O-N 3.24Å; G16-P33 WeakPolarHBondContact O-CA 3.12Å; G16-S34 PolarHBondContact O-N 2.73Å; G16-D158 WeakPolarHBondContact CA-OD2 3.22Å
17M97.4Very high97Very high70 Ų7026.6 Ų26.635%0.34517%0.171SC..EExtended strand (participates in β ladder)trans-138.1134.9-173.3-57.4-62.1-68.500110.7G14 V31 F32 P33G14-M17 WeakPolarHBondContact CA-O 3.29Å; G14-M17 PolarHBondContact N-O 2.74Å; M17-V31 HydrophobicContact CE-CG1 3.7Å; M17-F32 CarbonylContact C-O 3.53Å; M17-F32 WeakPolarHBondContact CA-O 3.35Å; M17-F32 VanDerWaalsContact CE-C 3.41Å; M17-P33 HydrophobicContact CE-CG 4.31Å; M17-P33 HydrophobicContact SD-CB 4.27Å; M17-P33 HydrophobicContact SD-CG 4.11Å
18C98.3Very high97.3Very high0 Ų024.9 Ų24.90%016%0.158CC..EExtended strand (participates in β ladder)trans-91.1140.1165.5-175.60000108.4D12 V31 F32 S34D12-C18 WeakPolarHBondContact O-CA 3.43Å; C18-V31 WeakPolarHBondContact O-CA 3.49Å; C18-F32 HydrophobicContact CB-CD1 4.46Å; C18-F32 HydrophobicContact CB-CD2 4.36Å; C18-F32 HydrophobicContact CB-CE1 3.92Å; C18-F32 HydrophobicContact CB-CE2 3.81Å; C18-F32 HydrophobicContact CB-CZ 3.57Å; C18-F32 PolarHBondContact N-O 3.28Å; C18-F32 PolarHBondContact O-N 3.26Å; C18-S34 PolarHBondContact N-OG 3.21Å
19K98.6Very high97.3Very high24 Ų2432.2 Ų32.210%0.10418%0.184CC..EExtended strand (participates in β ladder)trans-129131175.4-42.2179.6-168.768.20108.8I11 D12 P28 A30 V31 K337 Y338 W341I11-K19 WeakPolarHBondContact CA-O 3.29Å; D12-K19 HydrophobicContact CB-CB 4.17Å; D12-K19 PolarHBondContact N-O 3.43Å; D12-K19 PolarHBondContact O-N 2.89Å; D12-K19 VanDerWaalsContact O-N 3.08Å; D12-K19 IonicContact OD2-NZ 3.23Å; D12-K19 PolarHBondContact OD2-NZ 3.32Å; K19-P28 HydrophobicContact CB-CB 4.04Å; K19-P28 HydrophobicContact CB-CG 4.3Å; K19-A30 CarbonylContact C-O 3.51Å; K19-A30 WeakPolarHBondContact CA-O 3.29Å; K19-V31 HydrophobicContact CB-CG2 4.23Å; K19-V31 HydrophobicContact CG-CG1 4.23Å; K19-V31 HydrophobicContact CG-CG2 4.15Å; K19-K337 WeakPolarHBondContact CE-O 3.45Å; K19-Y338 HydrophobicContact CD-CD1 3.68Å; K19-Y338 HydrophobicContact CD-CE1 4.23Å; K19-W341 HydrophobicContact CB-CB 4.41Å; K19-W341 HydrophobicContact CB-CG 4.37Å
20A98.7Very high97.3Very high0 Ų032.5 Ų32.50%019%0.187CC..EExtended strand (participates in β ladder)trans-142.2152.2-175.100000112.4V10 I11 P28 R29 A30 T90 L95V10-A20 VanDerWaalsContact O-CA 3.25Å; V10-A20 WeakPolarHBondContact O-CA 3.03Å; I11-A20 HydrophobicContact CG1-CB 4.3Å; A20-P28 CarbonylContact O-C 3.3Å; A20-R29 PolarHBondContact O-N 2.97Å; A20-A30 PolarHBondContact N-O 2.95Å; A20-A30 PolarHBondContact O-N 3.1Å; A20-T90 HydrophobicContact CB-CG2 3.28Å; A20-L95 HydrophobicContact CB-CD1 4.03Å; A20-L95 HydrophobicContact CB-CD2 4.27Å; A20-L95 HydrophobicContact CB-CG 4.3Å
21G98.4Very high97.3Very high0 Ų034.9 Ų34.90%020%0.201CC..EExtended strand (participates in β ladder)trans174.8-172.1177.800000111.6L9 V10L9-G21 WeakPolarHBondContact CA-O 3.36Å; V10-G21 PolarHBondContact N-O 2.95Å; V10-G21 PolarHBondContact O-N 3.23Å
22F98.1Very high97.2Very high40 Ų4034.9 Ų34.918%0.17520%0.201CC..EExtended strand (participates in β ladder)trans-90.4144.7179.6-61.6-91000110.9A8 L9 D25 R29 V97 H102A8-F22 CarbonylContact O-C 3.26Å; A8-F22 WeakPolarHBondContact O-CA 3.48Å; L9-F22 HydrophobicContact CD2-CD1 3.53Å; L9-F22 HydrophobicContact CD2-CE1 3.49Å; L9-F22 VanDerWaalsContact CD2-CE1 3.49Å; L9-F22 HydrophobicContact CD2-CG 4.19Å; L9-F22 HydrophobicContact CD2-CZ 4.12Å; F22-D25 WeakPolarHBondContact O-CB 3.3Å; F22-D25 PolarHBondContact O-N 3.42Å; F22-R29 HydrophobicContact CD2-CG 4.09Å; F22-R29 HydrophobicContact CE2-CG 4.47Å; F22-V97 HydrophobicContact CE1-CG1 4.14Å; F22-V97 HydrophobicContact CZ-CG1 3.63Å; F22-H102 AromaticContact CE1-CE1 4Å
23A96.9Very high97.2Very high13 Ų1335.4 Ų35.411%0.10721%0.205CC..THydrogen-bonded Turntrans-60.1139.1168.800000110.3A8 V10 D25 A348A8-A23 HydrophobicContact CB-CB 4.13Å; A8-A23 PolarHBondContact O-N 2.76Å; V10-A23 HydrophobicContact CG2-CB 4.27Å; A23-D25 VanDerWaalsContact C-N 3.35Å; A23-A348 HydrophobicContact CB-CB 3.63Å
24G94.7Very high97.3Very high51 Ų5134.9 Ų34.953%0.52620%0.202SC..THydrogen-bonded Turntrans89.8-15.2-174.300000114.9S345G24-S345 PolarHBondContact N-O 2.86Å; G24-S345 PolarHBondContact N-OG 3.41Å
25D96.2Very high97.3Very high43 Ų4334.3 Ų34.323%0.2320%0.195CC..  trans-73.2145.6170.1-75.7-24.1000110.3F22 A23 A27 R29 W341 S345F22-D25 WeakPolarHBondContact O-CB 3.3Å; F22-D25 PolarHBondContact O-N 3.42Å; A23-D25 VanDerWaalsContact C-N 3.35Å; D25-A27 VanDerWaalsContact C-N 3.3Å; D25-A27 PolarHBondContact O-N 2.95Å; D25-R29 IonicContact OD1-CZ 3.42Å; D25-R29 IonicContact OD1-NE 2.73Å; D25-R29 IonicContact OD1-NH2 2.75Å; D25-R29 PolarHBondContact OD1-NH2 2.9Å; D25-R29 IonicContact OD2-CZ 3.49Å; D25-R29 IonicContact OD2-NE 3.22Å; D25-R29 PolarHBondContact OD2-NE 3.2Å; D25-R29 IonicContact OD2-NH2 2.73Å; D25-R29 PolarHBondContact OD2-NH2 2.66Å; D25-R29 VanDerWaalsContact OD2-NH2 3.11Å; D25-W341 HydrophobicContact CB-CH2 3.87Å; D25-W341 WeakPolarHBondContact O-CH2 3.43Å; D25-W341 WeakPolarHBondContact O-CZ3 3.25Å; D25-S345 PolarHBondContact N-OG 3.17Å; D25-S345 PolarHBondContact O-OG 3.33Å
26D94.5Very high97.4Very high156 Ų15634 Ų3483%0.83419%0.193SC*.SBendtrans-73.3-18.8-179.8-68.3-40000113.9
27A96.6Very high97.5Very high52 Ų5233.4 Ų33.443%0.4319%0.188SC..SBendtrans-151.7154.1-177.100000110.8D25 R29 W341D25-A27 VanDerWaalsContact C-N 3.3Å; D25-A27 PolarHBondContact O-N 2.95Å; A27-R29 PolarHBondContact O-N 2.81Å; A27-W341 VanDerWaalsContact C-CH2 3.45Å; A27-W341 VanDerWaalsContact O-CH2 3.32Å; A27-W341 WeakPolarHBondContact O-CH2 3.41Å
28P98Very high97.4Very high18 Ų1834 Ų3412%0.11719%0.186CC..  trans-61138.6176.925.4-34.1000111.1K19 A20 A30 V31 Y338 W341K19-P28 HydrophobicContact CB-CB 4.04Å; K19-P28 HydrophobicContact CB-CG 4.3Å; A20-P28 CarbonylContact O-C 3.3Å; P28-A30 VanDerWaalsContact C-N 3.29Å; P28-V31 HydrophobicContact CB-CG2 4Å; P28-V31 HydrophobicContact CG-CG2 3.54Å; P28-Y338 HydrophobicContact CG-CD1 4.26Å; P28-Y338 HydrophobicContact CG-CG 4.37Å; P28-W341 HydrophobicContact CB-CD2 3.75Å; P28-W341 HydrophobicContact CB-CE3 4.19Å; P28-W341 HydrophobicContact CB-CG 4.03Å; P28-W341 HydrophobicContact CB-CZ2 4.42Å; P28-W341 HydrophobicContact CG-CD2 4.3Å; P28-W341 HydrophobicContact CG-CE3 4.39Å
29R97.9Very high97.1Very high162 Ų16236.2 Ų36.261%0.61120%0.2SC*.SBendtrans-67.4-32.8174.1-67.5-86.1175.4157.8-1.4111.8A20 F22 D25 A27 L95A20-R29 PolarHBondContact O-N 2.97Å; F22-R29 HydrophobicContact CD2-CG 4.09Å; F22-R29 HydrophobicContact CE2-CG 4.47Å; D25-R29 IonicContact OD1-CZ 3.42Å; D25-R29 IonicContact OD1-NE 2.73Å; D25-R29 IonicContact OD1-NH2 2.75Å; D25-R29 PolarHBondContact OD1-NH2 2.9Å; D25-R29 IonicContact OD2-CZ 3.49Å; D25-R29 IonicContact OD2-NE 3.22Å; D25-R29 PolarHBondContact OD2-NE 3.2Å; D25-R29 IonicContact OD2-NH2 2.73Å; D25-R29 PolarHBondContact OD2-NH2 2.66Å; D25-R29 VanDerWaalsContact OD2-NH2 3.11Å; A27-R29 PolarHBondContact O-N 2.81Å; R29-L95 HydrophobicContact CB-CD2 3.76Å; R29-L95 HydrophobicContact CG-CD2 4.42Å
30A98.3Very high96.6Very high6 Ų641 Ų415%0.0522%0.218CC..EExtended strand (participates in β ladder)trans-135.8138.8-177.500000111.1K19 A20 P28 F32 E94 L95K19-A30 CarbonylContact C-O 3.51Å; K19-A30 WeakPolarHBondContact CA-O 3.29Å; A20-A30 PolarHBondContact N-O 2.95Å; A20-A30 PolarHBondContact O-N 3.1Å; P28-A30 VanDerWaalsContact C-N 3.29Å; A30-F32 HydrophobicContact CB-CD1 4.43Å; A30-E94 HydrophobicContact CB-CB 3.67Å; A30-E94 HydrophobicContact CB-CG 4.24Å; A30-L95 HydrophobicContact CB-CD2 4.48Å
31V98.3Very high95.9Very high49 Ų4947.3 Ų47.330%0.29725%0.247SC..EExtended strand (participates in β ladder)trans-141.2109.6174.4178.80000107.5M17 C18 K19 P28 Y338M17-V31 HydrophobicContact CE-CG1 3.7Å; C18-V31 WeakPolarHBondContact O-CA 3.49Å; K19-V31 HydrophobicContact CB-CG2 4.23Å; K19-V31 HydrophobicContact CG-CG1 4.23Å; K19-V31 HydrophobicContact CG-CG2 4.15Å; P28-V31 HydrophobicContact CB-CG2 4Å; P28-V31 HydrophobicContact CG-CG2 3.54Å; V31-Y338 HydrophobicContact CG2-CE1 4.09Å
32F98.3Very high94.7Very high0 Ų057 Ų570%029%0.293CS..EExtended strand (participates in β ladder)trans-140.8157.7-17464.5-89.5000111.6M17 C18 A30 V55 I86 H89 T90 E94M17-F32 CarbonylContact C-O 3.53Å; M17-F32 WeakPolarHBondContact CA-O 3.35Å; M17-F32 VanDerWaalsContact CE-C 3.41Å; C18-F32 HydrophobicContact CB-CD1 4.46Å; C18-F32 HydrophobicContact CB-CD2 4.36Å; C18-F32 HydrophobicContact CB-CE1 3.92Å; C18-F32 HydrophobicContact CB-CE2 3.81Å; C18-F32 HydrophobicContact CB-CZ 3.57Å; C18-F32 PolarHBondContact N-O 3.28Å; C18-F32 PolarHBondContact O-N 3.26Å; A30-F32 HydrophobicContact CB-CD1 4.43Å; F32-V55 HydrophobicContact CE2-CG1 4.5Å; F32-I86 HydrophobicContact CE2-CD1 4.33Å; F32-I86 HydrophobicContact CE2-CG2 4.23Å; F32-I86 HydrophobicContact CZ-CG2 4.32Å; F32-H89 AromaticContact CE2-CD2 3.77Å; F32-T90 VanDerWaalsContact CZ-OG1 3.32Å; F32-T90 WeakPolarHBondContact CZ-OG1 3.1Å; F32-E94 HydrophobicContact CD1-CG 3.75Å; F32-E94 HydrophobicContact CE1-CB 4.48Å; F32-E94 HydrophobicContact CE1-CG 3.77Å
33P97.8Very high93.4Very high16 Ų1657 Ų5710%0.10430%0.303CS..EExtended strand (participates in β ladder)trans-61.7134.9-179.5-25.935.8000113.5G16 M17 I35 G56 D57 Q60G16-P33 WeakPolarHBondContact O-CA 3.12Å; M17-P33 HydrophobicContact CE-CG 4.31Å; M17-P33 HydrophobicContact SD-CB 4.27Å; M17-P33 HydrophobicContact SD-CG 4.11Å; P33-I35 HydrophobicContact CB-CD1 3.94Å; P33-I35 HydrophobicContact CB-CG1 3.94Å; P33-I35 HydrophobicContact CB-CG2 4.41Å; P33-I35 PolarHBondContact O-N 3.19Å; P33-G56 WeakPolarHBondContact O-CA 3.46Å; P33-D57 WeakPolarHBondContact CD-OD1 3.3Å; P33-Q60 HydrophobicContact CG-CB 4.4Å
34S97.8Very high91.8Very high1 Ų159.8 Ų59.81%0.00732%0.319CS..  trans-77.963.4177.3-62.40000111.7G14 G16 C18 P71G14-S34 VanDerWaalsContact O-CB 3.27Å; G14-S34 WeakPolarHBondContact O-CB 3.16Å; G14-S34 PolarHBondContact O-OG 3.37Å; G16-S34 PolarHBondContact O-N 2.73Å; C18-S34 PolarHBondContact N-OG 3.21Å; S34-P71 WeakPolarHBondContact O-CD 3.23Å
35I97.6Very high90.3Very high1 Ų158.2 Ų58.21%0.00530%0.298CS..  trans-133.8148.3-174.265.6-178.7000112.8P33 V55 G56 A59 Q60 L68 K69 Y70P33-I35 HydrophobicContact CB-CD1 3.94Å; P33-I35 HydrophobicContact CB-CG1 3.94Å; P33-I35 HydrophobicContact CB-CG2 4.41Å; P33-I35 PolarHBondContact O-N 3.19Å; I35-V55 WeakPolarHBondContact O-CA 3.47Å; I35-G56 PolarHBondContact O-N 3.03Å; I35-G56 VanDerWaalsContact O-N 3.14Å; I35-A59 HydrophobicContact CD1-CB 4.01Å; I35-A59 HydrophobicContact CG1-CB 3.96Å; I35-Q60 HydrophobicContact CD1-CB 4Å; I35-Q60 VanDerWaalsContact CD1-OE1 3.23Å; I35-L68 HydrophobicContact CD1-CD1 4.13Å; I35-L68 HydrophobicContact CD1-CD2 4.46Å; I35-K69 WeakPolarHBondContact CA-O 3.33Å; I35-Y70 HydrophobicContact CG2-CD1 3.5Å; I35-Y70 VanDerWaalsContact CG2-CD1 3.5Å; I35-Y70 HydrophobicContact CG2-CE1 3.25Å; I35-Y70 HydrophobicContact CG2-CE2 4.39Å; I35-Y70 HydrophobicContact CG2-CG 4.18Å
36V98.2Very high88.6Confident0 Ų062.6 Ų62.60%033%0.326CS..EExtended strand (participates in β ladder)trans-120.7124.8169.6-178.20000109Y54 V55 K69 D82 K85 I86V36-Y54 CarbonylContact C-O 3.55Å; V36-Y54 WeakPolarHBondContact CA-O 3.19Å; V36-V55 HydrophobicContact CG2-CG2 4.42Å; V36-K69 PolarHBondContact N-O 2.88Å; V36-K69 PolarHBondContact O-N 2.96Å; V36-D82 HydrophobicContact CB-CB 4.22Å; V36-D82 HydrophobicContact CG2-CB 3.78Å; V36-K85 HydrophobicContact CG1-CD 4.13Å; V36-K85 HydrophobicContact CG2-CB 4.42Å; V36-I86 HydrophobicContact CG2-CD1 4.23Å; V36-I86 HydrophobicContact CG2-CG1 4.06Å
37G96.7Very high87.1Confident0 Ų059.1 Ų59.10%033%0.327CS..EExtended strand (participates in β ladder)trans-108.3136.7178.700000112.5S53 Y54 T67G37-S53 CarbonylContact O-C 3.55Å; G37-S53 WeakPolarHBondContact O-CA 3.35Å; G37-Y54 PolarHBondContact N-O 3.38Å; G37-Y54 PolarHBondContact O-N 3.04Å; G37-T67 WeakPolarHBondContact CA-O 3.46Å
38R95.2Very high85.3Confident81 Ų8163 Ų6331%0.30634%0.338SS..EExtended strand (participates in β ladder)trans-123.9141.4174.4-66179.517681.5-10.3111.1R40 L66 T67 D82R38-R40 PolarHBondContact O-N 3.43Å; R38-L66 CarbonylContact O-C 3.56Å; R38-L66 WeakPolarHBondContact O-CA 3.39Å; R38-T67 PolarHBondContact N-O 2.8Å; R38-T67 PolarHBondContact O-N 2.87Å; R38-D82 IonicContact CZ-OD1 2.94Å; R38-D82 VanDerWaalsContact CZ-OD1 3.32Å; R38-D82 IonicContact CZ-OD2 3.24Å; R38-D82 IonicContact NH1-OD1 2.75Å; R38-D82 PolarHBondContact NH1-OD1 2.99Å; R38-D82 IonicContact NH1-OD2 3.17Å; R38-D82 PolarHBondContact NH1-OD2 3.49Å; R38-D82 IonicContact NH2-OD1 3.76Å; R38-D82 PolarHBondContact NH2-OD1 3.23Å; R38-D82 IonicContact NH2-OD2 3.06Å
39P92.7Very high83.7Confident47 Ų4765.5 Ų65.531%0.30537%0.367SS..EExtended strand (participates in β ladder)trans-55.8133179.9-26.335.3000113.2M45 Y54 L66P39-M45 HydrophobicContact CG-SD 4.19Å; P39-Y54 HydrophobicContact CG-CE2 4.17Å; P39-L66 HydrophobicContact CB-CD2 4.4Å; P39-L66 HydrophobicContact CG-CD2 4.11Å
40R88.5Confident82.3Confident124 Ų12464.2 Ų64.247%0.46837%0.368SS..SBendtrans-69.3-33.9178.8-73.1-178.2-173.4-1746.2113.5R38 I65 L66 T67R38-R40 PolarHBondContact O-N 3.43Å; R40-I65 PolarHBondContact N-O 3.28Å; R40-I65 VanDerWaalsContact N-O 3.13Å; R40-L66 PolarHBondContact NE-O 3.14Å; R40-L66 PolarHBondContact NH2-O 3Å; R40-T67 WeakPolarHBondContact CG-OG1 3.29Å
41H83.5Confident81.7Confident134 Ų13468.6 Ų68.662%0.6239%0.386SS*.SBendtrans-134140.7178.5-51.1-70.3000109.4V44H41-V44 HydrophobicContact CB-CG2 3.67Å
42Q74.1Confident81.2Confident204 Ų20473.2 Ų73.295%0.95341%0.409SS*.THydrogen-bonded Turntrans-63.6136.8171.6-70.6179-15.800109.4
43G69.7Low81Confident38 Ų3874.7 Ų74.739%0.39242%0.419SS..THydrogen-bonded Turntrans86.6-3.3175.900000116.8M45 V46G43-M45 PolarHBondContact O-N 3.12Å; G43-V46 VanDerWaalsContact O-CG2 3.27Å; G43-V46 WeakPolarHBondContact O-CG2 3.19Å
44V63.1Low81Confident72 Ų7274 Ų7444%0.43641%0.414SS..SBendtrans-61.9-25.4176176.50000112.1H41 I65H41-V44 HydrophobicContact CB-CG2 3.67Å; V44-I65 HydrophobicContact CG1-CB 4.25Å; V44-I65 HydrophobicContact CG1-CD1 4.4Å; V44-I65 HydrophobicContact CG1-CG2 4.14Å
45M64.2Low81Confident19 Ų1974.5 Ų74.59%0.09442%0.417CS..  trans-102.460.8-177.7-65.4174.9165.600111.6P39 G43 G47 Q50 Y54 K62 I65 L66P39-M45 HydrophobicContact CG-SD 4.19Å; G43-M45 PolarHBondContact O-N 3.12Å; M45-G47 PolarHBondContact O-N 3.18Å; M45-Q50 HydrophobicContact CB-CG 4.43Å; M45-Y54 HydrophobicContact CE-CD2 4.38Å; M45-Y54 HydrophobicContact CE-CE2 3.57Å; M45-Y54 HydrophobicContact SD-CE2 3.71Å; M45-Y54 PolarHBondContact SD-OH 3.15Å; M45-K62 HydrophobicContact CE-CD 4.03Å; M45-I65 HydrophobicContact CE-CD1 3.5Å; M45-I65 HydrophobicContact CE-CG1 4.21Å; M45-I65 HydrophobicContact CG-CD1 4.41Å; M45-L66 HydrophobicContact CE-CD2 3.82Å
46V59.2Low81Confident134 Ų13474.4 Ų74.481%0.81242%0.417SS*.SBendtrans-71.9119.1169.7-173.80000108.7G43G43-V46 VanDerWaalsContact O-CG2 3.27Å; G43-V46 WeakPolarHBondContact O-CG2 3.19Å
47G62.8Low80.9Confident84 Ų8478.5 Ų78.587%0.86644%0.439SS*.SBendtrans94.9-11.717200000116.9M45M45-G47 PolarHBondContact O-N 3.18Å
48M59.9Low80.9Confident133 Ų13381.3 Ų81.366%0.65545%0.452SS*.SBendtrans-107.6114.6166.4-70.5-176.8156.900106.8Q50M48-Q50 PolarHBondContact O-N 2.89Å; M48-Q50 VanDerWaalsContact O-N 3.14Å
49G63.8Low80.9Confident70 Ų7077.4 Ų77.472%0.72244%0.437SS*.  trans-36.3119.7-172.800000113.2K51G49-K51 PolarHBondContact O-N 2.89Å
50Q70Confident81Confident136 Ų13677.2 Ų77.264%0.63643%0.432SS*.  trans-67.599.3-175.5-74-176.4-11.800109.5M45 M48M45-Q50 HydrophobicContact CB-CG 4.43Å; M48-Q50 PolarHBondContact O-N 2.89Å; M48-Q50 VanDerWaalsContact O-N 3.14Å
51K83.8Confident81.2Confident98 Ų9875.8 Ų75.843%0.42644%0.441SS..  trans-84.7142.5162.8-59.9-177.1-173.4171.70109.2G49 S53 Y54 E58G49-K51 PolarHBondContact O-N 2.89Å; K51-S53 PolarHBondContact O-N 3.03Å; K51-Y54 HydrophobicContact CB-CE1 3.97Å; K51-Y54 HydrophobicContact CB-CE2 4.32Å; K51-Y54 HydrophobicContact CD-CD1 4.25Å; K51-Y54 HydrophobicContact CD-CE1 3.91Å; K51-Y54 HydrophobicContact CG-CE1 4.2Å; K51-Y54 PolarHBondContact N-OH 3.42Å; K51-E58 IonicContact NZ-OE1 3.6Å; K51-E58 IonicContact NZ-OE2 3.58Å; K51-E58 PolarHBondContact NZ-OE2 3.37Å
52D88.9Confident81.6Confident146 Ų14671.4 Ų71.478%0.78142%0.421SS*.SBendtrans-68.3-27.6174.4-66.4-32.6000112.5
53S94.6Very high82.4Confident30 Ų3062.4 Ų62.421%0.2138%0.378CS..  trans-147.1150.8178.957.10000112.5G37 K51 K85G37-S53 CarbonylContact O-C 3.55Å; G37-S53 WeakPolarHBondContact O-CA 3.35Å; K51-S53 PolarHBondContact O-N 3.03Å; S53-K85 WeakPolarHBondContact OG-CD 3.3Å
54Y96Very high83.3Confident1 Ų163.4 Ų63.40%0.00439%0.388CS..EExtended strand (participates in β ladder)trans-120.3149.9175.5-61.1-82.4000108.7V36 G37 P39 M45 K51 E58 K62 L66V36-Y54 CarbonylContact C-O 3.55Å; V36-Y54 WeakPolarHBondContact CA-O 3.19Å; G37-Y54 PolarHBondContact N-O 3.38Å; G37-Y54 PolarHBondContact O-N 3.04Å; P39-Y54 HydrophobicContact CG-CE2 4.17Å; M45-Y54 HydrophobicContact CE-CD2 4.38Å; M45-Y54 HydrophobicContact CE-CE2 3.57Å; M45-Y54 HydrophobicContact SD-CE2 3.71Å; M45-Y54 PolarHBondContact SD-OH 3.15Å; K51-Y54 HydrophobicContact CB-CE1 3.97Å; K51-Y54 HydrophobicContact CB-CE2 4.32Å; K51-Y54 HydrophobicContact CD-CD1 4.25Å; K51-Y54 HydrophobicContact CD-CE1 3.91Å; K51-Y54 HydrophobicContact CG-CE1 4.2Å; K51-Y54 PolarHBondContact N-OH 3.42Å; Y54-E58 HydrophobicContact CD1-CG 3.77Å; Y54-E58 WeakPolarHBondContact CD1-OE1 3.11Å; Y54-E58 WeakPolarHBondContact CE1-OE1 3.27Å; Y54-K62 HydrophobicContact CD1-CD 4.11Å; Y54-K62 HydrophobicContact CE1-CD 4.14Å; Y54-K62 HydrophobicContact CG-CD 4.41Å; Y54-L66 HydrophobicContact CD2-CD1 3.72Å; Y54-L66 HydrophobicContact CD2-CD2 3.74Å; Y54-L66 HydrophobicContact CD2-CG 4.42Å; Y54-L66 HydrophobicContact CE2-CD2 4.07Å; Y54-L66 HydrophobicContact CG-CD1 3.98Å
55V98Very high84.6Confident12 Ų1263.3 Ų63.37%0.07338%0.384CS..EExtended strand (participates in β ladder)trans-130.4149.6-176.2-175.30000109.6F32 I35 V36 E58 A59 K85 I86 H89F32-V55 HydrophobicContact CE2-CG1 4.5Å; I35-V55 WeakPolarHBondContact O-CA 3.47Å; V36-V55 HydrophobicContact CG2-CG2 4.42Å; V55-E58 PolarHBondContact O-N 3.25Å; V55-A59 PolarHBondContact O-N 3.42Å; V55-K85 HydrophobicContact CG2-CB 4.17Å; V55-I86 HydrophobicContact CG1-CD1 3.47Å; V55-I86 VanDerWaalsContact CG1-CD1 3.47Å; V55-I86 HydrophobicContact CG1-CG1 4.27Å; V55-H89 HydrophobicContact CB-CB 3.92Å; V55-H89 HydrophobicContact CG1-CB 3.61Å; V55-H89 HydrophobicContact CG2-CB 4.33Å
56G97.6Very high86Confident0 Ų062.4 Ų62.40%038%0.38CS..Hα-helixtrans62.1-136.1169.500000114P33 I35 E58 A59 Q60P33-G56 WeakPolarHBondContact O-CA 3.46Å; I35-G56 PolarHBondContact O-N 3.03Å; I35-G56 VanDerWaalsContact O-N 3.14Å; G56-E58 PolarHBondContact O-N 3.03Å; G56-A59 WeakPolarHBondContact O-CB 3.33Å; G56-A59 PolarHBondContact O-N 2.76Å; G56-A59 VanDerWaalsContact O-N 3.09Å; G56-Q60 PolarHBondContact O-N 3.36Å
57D97.2Very high87.6Confident85 Ų8559.4 Ų59.446%0.45536%0.362SS..Hα-helixtrans-63.1-29.5-178.9-67.9-41.3000112.7P33 Q60 S61P33-D57 WeakPolarHBondContact CD-OD1 3.3Å; D57-Q60 PolarHBondContact O-N 3.13Å; D57-S61 WeakPolarHBondContact O-CB 3.36Å; D57-S61 PolarHBondContact O-N 2.87Å; D57-S61 PolarHBondContact O-OG 3.16Å
58E95.3Very high89.2Confident59 Ų5956.9 Ų56.928%0.27633%0.329SS..Hα-helixtrans-66.2-40.7174.2-164.4-177176.800111K51 Y54 V55 G56 S61 K62K51-E58 IonicContact NZ-OE1 3.6Å; K51-E58 IonicContact NZ-OE2 3.58Å; K51-E58 PolarHBondContact NZ-OE2 3.37Å; Y54-E58 HydrophobicContact CD1-CG 3.77Å; Y54-E58 WeakPolarHBondContact CD1-OE1 3.11Å; Y54-E58 WeakPolarHBondContact CE1-OE1 3.27Å; V55-E58 PolarHBondContact O-N 3.25Å; G56-E58 PolarHBondContact O-N 3.03Å; E58-S61 PolarHBondContact O-OG 3.43Å; E58-K62 HydrophobicContact CG-CD 4.43Å; E58-K62 WeakPolarHBondContact O-CG 3.31Å; E58-K62 PolarHBondContact O-N 2.98Å; E58-K62 IonicContact OE1-NZ 3.55Å; E58-K62 PolarHBondContact OE1-NZ 3.08Å
59A96.1Very high91Very high0 Ų055.7 Ų55.70%032%0.32CS..Hα-helixtrans-68.5-40.1173.500000111.6I35 V55 G56 K62 R63 L66 L68I35-A59 HydrophobicContact CD1-CB 4.01Å; I35-A59 HydrophobicContact CG1-CB 3.96Å; V55-A59 PolarHBondContact O-N 3.42Å; G56-A59 WeakPolarHBondContact O-CB 3.33Å; G56-A59 PolarHBondContact O-N 2.76Å; G56-A59 VanDerWaalsContact O-N 3.09Å; A59-K62 CarbonylContact O-C 3.47Å; A59-K62 PolarHBondContact O-N 2.96Å; A59-R63 PolarHBondContact O-N 3.33Å; A59-R63 VanDerWaalsContact O-N 3.17Å; A59-L66 HydrophobicContact CB-CD1 4.4Å; A59-L68 HydrophobicContact CB-CD2 4.06Å
60Q94.8Very high92.5Very high42 Ų4255.2 Ų55.220%0.19630%0.297CS..Hα-helixtrans-63-48.3-178.9-172.763.48.800111.9P33 I35 G56 D57 K62 R63 E208P33-Q60 HydrophobicContact CG-CB 4.4Å; I35-Q60 HydrophobicContact CD1-CB 4Å; I35-Q60 VanDerWaalsContact CD1-OE1 3.23Å; G56-Q60 PolarHBondContact O-N 3.36Å; D57-Q60 PolarHBondContact O-N 3.13Å; Q60-K62 PolarHBondContact O-N 3.32Å; Q60-R63 VanDerWaalsContact O-CB 3.24Å; Q60-R63 WeakPolarHBondContact O-CB 3.45Å; Q60-R63 PolarHBondContact O-N 3.19Å; Q60-R63 VanDerWaalsContact O-N 3.17Å; Q60-E208 VanDerWaalsContact NE2-CG 3.31Å; Q60-E208 PolarHBondContact NE2-OE2 2.82Å
61S92.9Very high93.8Very high95 Ų9548.8 Ų48.866%0.66427%0.267SS*.Hα-helixtrans-62.5-25.9178.3580000113.2D57 E58D57-S61 WeakPolarHBondContact O-CB 3.36Å; D57-S61 PolarHBondContact O-N 2.87Å; D57-S61 PolarHBondContact O-OG 3.16Å; E58-S61 PolarHBondContact O-OG 3.43Å
62K91.8Very high94.5Very high42 Ų4244.3 Ų44.318%0.18325%0.247CC..THydrogen-bonded Turntrans-100.611.9179.5-65.2172.5-179173.50113.4M45 Y54 E58 A59 Q60 G64 I65 L66M45-K62 HydrophobicContact CE-CD 4.03Å; Y54-K62 HydrophobicContact CD1-CD 4.11Å; Y54-K62 HydrophobicContact CE1-CD 4.14Å; Y54-K62 HydrophobicContact CG-CD 4.41Å; E58-K62 HydrophobicContact CG-CD 4.43Å; E58-K62 WeakPolarHBondContact O-CG 3.31Å; E58-K62 PolarHBondContact O-N 2.98Å; E58-K62 IonicContact OE1-NZ 3.55Å; E58-K62 PolarHBondContact OE1-NZ 3.08Å; A59-K62 CarbonylContact O-C 3.47Å; A59-K62 PolarHBondContact O-N 2.96Å; Q60-K62 PolarHBondContact O-N 3.32Å; K62-G64 PolarHBondContact O-N 3.33Å; K62-I65 HydrophobicContact CB-CG1 4.27Å; K62-I65 VanDerWaalsContact O-CG1 3.26Å; K62-I65 WeakPolarHBondContact O-CG1 3.37Å; K62-I65 PolarHBondContact O-N 2.92Å; K62-L66 HydrophobicContact CB-CD1 3.54Å; K62-L66 HydrophobicContact CB-CG 3.85Å; K62-L66 WeakPolarHBondContact O-CG 3.22Å; K62-L66 PolarHBondContact O-N 2.92Å
63R91.7Very high94.8Very high14 Ų1442.5 Ų42.55%0.05323%0.234CC..THydrogen-bonded Turntrans-48.8-36.9-176175.8175.9-68.6-119.9-5.5114.9A59 Q60 I65 L66 L68 Y70 T204 E208A59-R63 PolarHBondContact O-N 3.33Å; A59-R63 VanDerWaalsContact O-N 3.17Å; Q60-R63 VanDerWaalsContact O-CB 3.24Å; Q60-R63 WeakPolarHBondContact O-CB 3.45Å; Q60-R63 PolarHBondContact O-N 3.19Å; Q60-R63 VanDerWaalsContact O-N 3.17Å; R63-I65 PolarHBondContact O-N 3.4Å; R63-L66 PolarHBondContact O-N 3.48Å; 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 4.36Å; R63-Y70 PolarHBondContact NH2-OH 3.06Å; R63-T204 VanDerWaalsContact CD-O 3.28Å; R63-T204 WeakPolarHBondContact CD-O 3.32Å; R63-T204 PolarHBondContact NH1-O 3.47Å; R63-E208 IonicContact CZ-OE1 2.7Å; R63-E208 VanDerWaalsContact CZ-OE1 3.24Å; R63-E208 IonicContact NH1-OE1 3.1Å; R63-E208 PolarHBondContact NH1-OE1 2.86Å; R63-E208 VanDerWaalsContact NH1-OE1 3.17Å; R63-E208 IonicContact NH2-OE1 3.42Å; R63-E208 PolarHBondContact NH2-OE1 3.4Å
64G88.2Confident94.8Very high59 Ų5944 Ų4461%0.60824%0.238SC*.THydrogen-bonded Turntrans-62.1-26.4-17900000114.4K62K62-G64 PolarHBondContact O-N 3.33Å
65I90.1Very high94.7Very high70 Ų7044.5 Ų44.536%0.35924%0.243SC..THydrogen-bonded Turntrans-115-3.1-178.160.6172.3000113.4R40 V44 M45 K62 R63R40-I65 PolarHBondContact N-O 3.28Å; R40-I65 VanDerWaalsContact N-O 3.13Å; V44-I65 HydrophobicContact CG1-CB 4.25Å; V44-I65 HydrophobicContact CG1-CD1 4.4Å; V44-I65 HydrophobicContact CG1-CG2 4.14Å; M45-I65 HydrophobicContact CE-CD1 3.5Å; M45-I65 HydrophobicContact CE-CG1 4.21Å; M45-I65 HydrophobicContact CG-CD1 4.41Å; K62-I65 HydrophobicContact CB-CG1 4.27Å; K62-I65 VanDerWaalsContact O-CG1 3.26Å; K62-I65 WeakPolarHBondContact O-CG1 3.37Å; K62-I65 PolarHBondContact O-N 2.92Å; R63-I65 PolarHBondContact O-N 3.4Å
66L93.2Very high94.6Very high0 Ų045.5 Ų45.50%025%0.248CC..EExtended strand (participates in β ladder)trans-106.8150.8178.9-59.7-176.6000111.5R38 P39 R40 M45 Y54 A59 K62 R63 L68R38-L66 CarbonylContact O-C 3.56Å; R38-L66 WeakPolarHBondContact O-CA 3.39Å; P39-L66 HydrophobicContact CB-CD2 4.4Å; P39-L66 HydrophobicContact CG-CD2 4.11Å; R40-L66 PolarHBondContact NE-O 3.14Å; R40-L66 PolarHBondContact NH2-O 3Å; M45-L66 HydrophobicContact CE-CD2 3.82Å; Y54-L66 HydrophobicContact CD2-CD1 3.72Å; Y54-L66 HydrophobicContact CD2-CD2 3.74Å; Y54-L66 HydrophobicContact CD2-CG 4.42Å; Y54-L66 HydrophobicContact CE2-CD2 4.07Å; Y54-L66 HydrophobicContact CG-CD1 3.98Å; A59-L66 HydrophobicContact CB-CD1 4.4Å; K62-L66 HydrophobicContact CB-CD1 3.54Å; K62-L66 HydrophobicContact CB-CG 3.85Å; K62-L66 WeakPolarHBondContact O-CG 3.22Å; K62-L66 PolarHBondContact O-N 2.92Å; R63-L66 PolarHBondContact O-N 3.48Å; R63-L66 VanDerWaalsContact O-O 3.12Å; L66-L68 HydrophobicContact CB-CD2 3.91Å; L66-L68 HydrophobicContact CD1-CD2 4.37Å
67T94.1Very high94.6Very high71 Ų7146.3 Ų46.344%0.43625%0.253SS..EExtended strand (participates in β ladder)trans-89.4114.6157.8-61.60000107.1G37 R38 R40G37-T67 WeakPolarHBondContact CA-O 3.46Å; R38-T67 PolarHBondContact N-O 2.8Å; R38-T67 PolarHBondContact O-N 2.87Å; R40-T67 WeakPolarHBondContact CG-OG1 3.29Å
68L95.4Very high94.6Very high32 Ų3245.4 Ų45.417%0.16825%0.253CS..EExtended strand (participates in β ladder)trans-91.6138.3179.7-57.7-176.4000110.6I35 A59 R63 L66I35-L68 HydrophobicContact CD1-CD1 4.13Å; I35-L68 HydrophobicContact CD1-CD2 4.46Å; A59-L68 HydrophobicContact CB-CD2 4.06Å; R63-L68 HydrophobicContact CB-CD1 3.84Å; R63-L68 HydrophobicContact CG-CD1 3.57Å; R63-L68 HydrophobicContact CG-CG 4.36Å; L66-L68 HydrophobicContact CB-CD2 3.91Å; L66-L68 HydrophobicContact CD1-CD2 4.37Å
69K96.9Very high94.7Very high108 Ų10845 Ų4547%0.4725%0.252SS..EExtended strand (participates in β ladder)trans-125.5150172.7-68.4-168.4174.7-172.40110.2I35 V36I35-K69 WeakPolarHBondContact CA-O 3.33Å; V36-K69 PolarHBondContact N-O 2.88Å; V36-K69 PolarHBondContact O-N 2.96Å
70Y96.6Very high94.8Very high60 Ų6047.1 Ų47.124%0.23526%0.261CS..  trans-112.4104.9178.6-64.1-98.8000107.4I35 R63 I72I35-Y70 HydrophobicContact CG2-CD1 3.5Å; I35-Y70 VanDerWaalsContact CG2-CD1 3.5Å; I35-Y70 HydrophobicContact CG2-CE1 3.25Å; I35-Y70 HydrophobicContact CG2-CE2 4.39Å; I35-Y70 HydrophobicContact CG2-CG 4.18Å; R63-Y70 PolarHBondContact NH2-OH 3.06Å; Y70-I72 PolarHBondContact O-N 3.37Å
71P97.7Very high94.9Very high1 Ų150.4 Ų50.41%0.00628%0.279CS..SBendtrans-68.7-12.6-178.425-32.3000113.9S34 V77 S78 N79 D82 M83 I86S34-P71 WeakPolarHBondContact O-CD 3.23Å; P71-V77 CarbonylContact O-C 3.54Å; P71-V77 WeakPolarHBondContact O-CA 3.32Å; P71-S78 PolarHBondContact O-N 3.44Å; P71-S78 PolarHBondContact O-OG 3.11Å; P71-N79 HydrophobicContact CB-CB 4.28Å; P71-N79 WeakPolarHBondContact CB-O 3.49Å; P71-N79 PolarHBondContact O-N 3.41Å; P71-D82 HydrophobicContact CB-CB 3.82Å; P71-D82 HydrophobicContact CG-CB 4.27Å; P71-M83 HydrophobicContact CB-CB 4.39Å; P71-M83 HydrophobicContact CG-SD 4.41Å; P71-I86 HydrophobicContact CG-CG1 4.01Å
72I97.5Very high95.2Very high3 Ų345.9 Ų45.92%0.01525%0.248CC..EExtended strand (participates in β ladder)trans-117116.9177.1-52.8174.2000108.8N13 S15 Y70 I76 V77 M83N13-I72 HydrophobicContact CB-CD1 4.05Å; S15-I72 WeakPolarHBondContact OG-CG2 3.39Å; Y70-I72 PolarHBondContact O-N 3.37Å; I72-I76 CarbonylContact C-O 3.55Å; I72-I76 WeakPolarHBondContact CA-O 3.26Å; I72-V77 HydrophobicContact CG1-CG2 4.17Å; I72-M83 HydrophobicContact CD1-CE 4.03Å; I72-M83 HydrophobicContact CD1-SD 3.77Å; I72-M83 HydrophobicContact CG1-SD 3.77Å
73E94.8Very high95.5Very high108 Ų10844 Ų4451%0.50524%0.239SC..EExtended strand (participates in β ladder)trans-113.3124.4176.6-70.5175.4-151.300109.3G75 I76 S78E73-G75 PolarHBondContact O-N 2.96Å; E73-G75 VanDerWaalsContact O-N 3.15Å; E73-I76 PolarHBondContact N-O 2.99Å; E73-I76 PolarHBondContact O-N 3.09Å; E73-S78 PolarHBondContact OE1-OG 3.39Å
74H94.3Very high95.8Very high62 Ų6245.5 Ų45.529%0.28725%0.247SC..THydrogen-bonded Turntrans45.648.1-179-50.1162.2000113.3I76 G159 V160 R178 D180H74-I76 VanDerWaalsContact C-N 3.27Å; H74-I76 PolarHBondContact O-N 3.1Å; H74-G159 WeakPolarHBondContact CA-O 3.37Å; H74-G159 PolarHBondContact CD2-O 3.4Å; H74-V160 HydrophobicContact CB-CB 4.19Å; H74-R178 VanDerWaalsContact O-CZ 3.24Å; H74-R178 PolarHBondContact O-NH1 3.34Å; H74-R178 PolarHBondContact O-NH2 2.93Å; H74-D180 IonicContact CE1-OD2 3.85Å; H74-D180 IonicContact CG-OD2 3.68Å; H74-D180 IonicContact ND1-OD2 3.44Å; H74-D180 PolarHBondContact ND1-OD2 3.47Å
75G93.9Very high96.3Very high11 Ų1145.5 Ų45.511%0.11323%0.231CC..THydrogen-bonded Turntrans76.7-1.6-179.400000116.2S15 E73S15-G75 WeakPolarHBondContact OG-CA 3.27Å; S15-G75 PolarHBondContact OG-N 2.76Å; E73-G75 PolarHBondContact O-N 2.96Å; E73-G75 VanDerWaalsContact O-N 3.15Å
76I96.4Very high96.7Very high34 Ų3442.2 Ų42.217%0.17421%0.213CC..EExtended strand (participates in β ladder)trans-111.7130.8-176.8-55.3-56.3000110.2I72 E73 H74 S78 N116I72-I76 CarbonylContact C-O 3.55Å; I72-I76 WeakPolarHBondContact CA-O 3.26Å; E73-I76 PolarHBondContact N-O 2.99Å; E73-I76 PolarHBondContact O-N 3.09Å; H74-I76 VanDerWaalsContact C-N 3.27Å; H74-I76 PolarHBondContact O-N 3.1Å; I76-S78 PolarHBondContact O-N 3.49Å; I76-N116 WeakPolarHBondContact CG2-ND2 3.48Å
77V97.8Very high97Very high17 Ų1742.2 Ų42.210%0.10321%0.213CC..EExtended strand (participates in β ladder)trans-66.9116.3172.2-177.30000109.1P71 I72 W80 M83 N116P71-V77 CarbonylContact O-C 3.54Å; P71-V77 WeakPolarHBondContact O-CA 3.32Å; I72-V77 HydrophobicContact CG1-CG2 4.17Å; V77-W80 HydrophobicContact CB-CH2 3.98Å; V77-W80 HydrophobicContact CB-CZ2 3.84Å; V77-W80 HydrophobicContact CB-CZ3 4.4Å; V77-W80 HydrophobicContact CG1-CD2 3.75Å; V77-W80 HydrophobicContact CG1-CE3 3.87Å; V77-W80 HydrophobicContact CG1-CG 4.31Å; V77-W80 HydrophobicContact CG1-CH2 4.07Å; V77-W80 HydrophobicContact CG1-CZ2 3.93Å; V77-W80 HydrophobicContact CG1-CZ3 4.05Å; V77-W80 HydrophobicContact CG2-CH2 4.08Å; V77-W80 HydrophobicContact CG2-CZ2 4.43Å; V77-W80 HydrophobicContact CG2-CZ3 4.38Å; V77-M83 HydrophobicContact CG1-CB 3.84Å; V77-M83 HydrophobicContact CG1-CG 4.03Å; V77-M83 HydrophobicContact CG2-CG 4.18Å; V77-M83 HydrophobicContact CG2-SD 4.19Å; V77-N116 PolarHBondContact O-ND2 3.13Å
78S96.5Very high97.2Very high65 Ų6543.4 Ų43.446%0.45521%0.214SC..  trans-102.6-18.8177.464.40000112.8P71 E73 I76P71-S78 PolarHBondContact O-N 3.44Å; P71-S78 PolarHBondContact O-OG 3.11Å; E73-S78 PolarHBondContact OE1-OG 3.39Å; I76-S78 PolarHBondContact O-N 3.49Å
79N98Very high97.3Very high50 Ų5042.6 Ų42.627%0.26721%0.209SC..  trans-136.8103.8179.2-170.1-50.1000111.6P71 D81 D82 M83P71-N79 HydrophobicContact CB-CB 4.28Å; P71-N79 WeakPolarHBondContact CB-O 3.49Å; P71-N79 PolarHBondContact O-N 3.41Å; N79-D81 PolarHBondContact OD1-N 3.08Å; N79-D82 HydrophobicContact CB-CB 4.3Å; N79-D82 PolarHBondContact O-N 3.4Å; N79-D82 WeakPolarHBondContact OD1-CB 3.5Å; N79-D82 PolarHBondContact OD1-N 3.12Å; N79-M83 WeakPolarHBondContact O-CB 3.42Å; N79-M83 PolarHBondContact O-N 3.5Å
80W98.1Very high97.4Very high46 Ų4637.5 Ų37.517%0.17419%0.187CC..Hα-helixtrans-71-37.8-177.5-70.7102.3000113.6V77 D82 M83 E84 W87 N116 K119 M120 I123V77-W80 HydrophobicContact CB-CH2 3.98Å; V77-W80 HydrophobicContact CB-CZ2 3.84Å; V77-W80 HydrophobicContact CB-CZ3 4.4Å; V77-W80 HydrophobicContact CG1-CD2 3.75Å; V77-W80 HydrophobicContact CG1-CE3 3.87Å; V77-W80 HydrophobicContact CG1-CG 4.31Å; V77-W80 HydrophobicContact CG1-CH2 4.07Å; V77-W80 HydrophobicContact CG1-CZ2 3.93Å; V77-W80 HydrophobicContact CG1-CZ3 4.05Å; V77-W80 HydrophobicContact CG2-CH2 4.08Å; V77-W80 HydrophobicContact CG2-CZ2 4.43Å; V77-W80 HydrophobicContact CG2-CZ3 4.38Å; W80-D82 PolarHBondContact O-N 3.36Å; W80-M83 HydrophobicContact CE3-CB 4.41Å; W80-M83 PolarHBondContact O-N 3.31Å; W80-M83 VanDerWaalsContact O-N 3.13Å; W80-E84 WeakPolarHBondContact O-CG 3.37Å; W80-E84 PolarHBondContact O-N 3.37Å; W80-W87 AromaticContact CZ3-CH2 3.84Å; W80-W87 HydrophobicContact CZ3-CH2 3.84Å; W80-W87 HydrophobicContact CZ3-CZ3 4.19Å; W80-N116 HydrophobicContact CH2-CB 4.31Å; W80-N116 WeakPolarHBondContact CH2-O 3.45Å; W80-N116 HydrophobicContact CZ2-CB 3.78Å; W80-K119 HydrophobicContact CD2-CB 4.12Å; W80-K119 HydrophobicContact CD2-CG 3.34Å; W80-K119 VanDerWaalsContact CE2-CG 3.47Å; W80-K119 HydrophobicContact CE3-CB 4.34Å; W80-K119 HydrophobicContact CE3-CG 3.63Å; W80-K119 HydrophobicContact CG-CG 3.79Å; W80-K119 HydrophobicContact CH2-CB 3.92Å; W80-K119 HydrophobicContact CH2-CG 4.13Å; W80-K119 HydrophobicContact CZ2-CB 3.69Å; W80-K119 HydrophobicContact CZ2-CG 3.89Å; W80-K119 HydrophobicContact CZ3-CB 4.22Å; W80-K119 HydrophobicContact CZ3-CG 3.99Å; W80-M120 HydrophobicContact CH2-CG 3.55Å; W80-M120 HydrophobicContact CZ3-CG 3.87Å; W80-I123 HydrophobicContact CD2-CD1 4.29Å; W80-I123 HydrophobicContact CE3-CD1 3.41Å; W80-I123 VanDerWaalsContact CE3-CD1 3.41Å; W80-I123 HydrophobicContact CZ3-CD1 3.93Å
81D97.9Very high97.5Very high110 Ų11034.6 Ų34.659%0.58818%0.176SC*.Hα-helixtrans-61.3-34.7177.4-62-16.3000112.1N79 K85N79-D81 PolarHBondContact OD1-N 3.08Å; D81-K85 WeakPolarHBondContact O-CG 3.41Å; D81-K85 PolarHBondContact O-NZ 2.98Å
82D98.3Very high97.5Very high0 Ų039.1 Ų39.10%019%0.193CC..Hα-helixtrans-82.9-31.2176.6-76.9-6.7000111.7V36 R38 P71 N79 W80 K85 I86V36-D82 HydrophobicContact CB-CB 4.22Å; V36-D82 HydrophobicContact CG2-CB 3.78Å; R38-D82 IonicContact CZ-OD1 2.94Å; R38-D82 VanDerWaalsContact CZ-OD1 3.32Å; R38-D82 IonicContact CZ-OD2 3.24Å; R38-D82 IonicContact NH1-OD1 2.75Å; R38-D82 PolarHBondContact NH1-OD1 2.99Å; R38-D82 IonicContact NH1-OD2 3.17Å; R38-D82 PolarHBondContact NH1-OD2 3.49Å; R38-D82 IonicContact NH2-OD1 3.76Å; R38-D82 PolarHBondContact NH2-OD1 3.23Å; R38-D82 IonicContact NH2-OD2 3.06Å; P71-D82 HydrophobicContact CB-CB 3.82Å; P71-D82 HydrophobicContact CG-CB 4.27Å; N79-D82 HydrophobicContact CB-CB 4.3Å; N79-D82 PolarHBondContact O-N 3.4Å; N79-D82 WeakPolarHBondContact OD1-CB 3.5Å; N79-D82 PolarHBondContact OD1-N 3.12Å; W80-D82 PolarHBondContact O-N 3.36Å; D82-K85 PolarHBondContact O-N 2.7Å; D82-K85 IonicContact OD1-NZ 3.74Å; D82-K85 PolarHBondContact OD1-NZ 3.42Å; D82-I86 WeakPolarHBondContact O-CG1 3.38Å; D82-I86 PolarHBondContact O-N 3.5Å; D82-I86 VanDerWaalsContact O-N 3.08Å
83M98.4Very high97.5Very high2 Ų242.5 Ų42.51%0.0121%0.212CC..Hα-helixtrans-65.1-40.7171.6-163.965.8-150.700112.3N13 P71 I72 V77 N79 W80 K85 I86 W87N13-M83 HydrophobicContact CB-CE 4.29Å; N13-M83 VanDerWaalsContact OD1-CE 3.24Å; N13-M83 WeakPolarHBondContact OD1-CE 3.32Å; P71-M83 HydrophobicContact CB-CB 4.39Å; P71-M83 HydrophobicContact CG-SD 4.41Å; I72-M83 HydrophobicContact CD1-CE 4.03Å; I72-M83 HydrophobicContact CD1-SD 3.77Å; I72-M83 HydrophobicContact CG1-SD 3.77Å; V77-M83 HydrophobicContact CG1-CB 3.84Å; V77-M83 HydrophobicContact CG1-CG 4.03Å; V77-M83 HydrophobicContact CG2-CG 4.18Å; V77-M83 HydrophobicContact CG2-SD 4.19Å; N79-M83 WeakPolarHBondContact O-CB 3.42Å; N79-M83 PolarHBondContact O-N 3.5Å; W80-M83 HydrophobicContact CE3-CB 4.41Å; W80-M83 PolarHBondContact O-N 3.31Å; W80-M83 VanDerWaalsContact O-N 3.13Å; M83-K85 VanDerWaalsContact C-N 3.29Å; M83-K85 PolarHBondContact O-N 3.27Å; M83-I86 HydrophobicContact CE-CB 4.46Å; M83-I86 HydrophobicContact CE-CG2 4.08Å; M83-I86 WeakPolarHBondContact O-CB 3.33Å; M83-I86 PolarHBondContact O-N 3.29Å; M83-I86 VanDerWaalsContact O-N 3.1Å; M83-W87 HydrophobicContact CE-CD2 4.13Å; M83-W87 VanDerWaalsContact CE-CE2 3.4Å; M83-W87 HydrophobicContact CE-CG 4.36Å; M83-W87 HydrophobicContact CE-CZ2 3.8Å; M83-W87 HydrophobicContact CG-CD2 4.19Å; M83-W87 HydrophobicContact CG-CE3 4.25Å; M83-W87 HydrophobicContact CG-CH2 4.1Å; M83-W87 HydrophobicContact CG-CZ2 3.96Å; M83-W87 HydrophobicContact CG-CZ3 4.22Å; M83-W87 PolarHBondContact O-N 2.89Å
84E98.3Very high97.7Very high47 Ų4740.7 Ų40.722%0.2220%0.203CC..Hα-helixtrans-60.2-38.6174.2-75.4-174.9-139.300111.7W80 I86 W87 H88 I123W80-E84 WeakPolarHBondContact O-CG 3.37Å; W80-E84 PolarHBondContact O-N 3.37Å; E84-I86 VanDerWaalsContact C-N 3.35Å; E84-W87 PolarHBondContact O-N 2.8Å; E84-H88 WeakPolarHBondContact O-CB 3.11Å; E84-H88 PolarHBondContact O-N 3.33Å; E84-I123 HydrophobicContact CG-CD1 3.72Å; E84-I123 HydrophobicContact CG-CG1 4.14Å; E84-I123 HydrophobicContact CG-CG2 3.79Å; E84-I123 WeakPolarHBondContact OE1-CD1 3.43Å; E84-I123 WeakPolarHBondContact OE1-CG1 3.48Å
85K98.3Very high97.9Very high59 Ų5938.6 Ų38.626%0.25719%0.194SC..Hα-helixtrans-65.7-37.6173.7-67.8-179-161.875.90112.4V36 S53 V55 D81 D82 M83 H89V36-K85 HydrophobicContact CG1-CD 4.13Å; V36-K85 HydrophobicContact CG2-CB 4.42Å; S53-K85 WeakPolarHBondContact OG-CD 3.3Å; V55-K85 HydrophobicContact CG2-CB 4.17Å; D81-K85 WeakPolarHBondContact O-CG 3.41Å; D81-K85 PolarHBondContact O-NZ 2.98Å; D82-K85 PolarHBondContact O-N 2.7Å; D82-K85 IonicContact OD1-NZ 3.74Å; D82-K85 PolarHBondContact OD1-NZ 3.42Å; M83-K85 VanDerWaalsContact C-N 3.29Å; M83-K85 PolarHBondContact O-N 3.27Å; K85-H89 VanDerWaalsContact O-CB 3.31Å; K85-H89 WeakPolarHBondContact O-CB 3.48Å; K85-H89 PolarHBondContact O-N 3.1Å
86I98.6Very high98.1Very high0 Ų048 Ų480%023%0.226CC..Hα-helixtrans-61.2-50.2174.8-68.3-80.9000109.7F32 V36 V55 P71 D82 M83 E84 H89 T90F32-I86 HydrophobicContact CE2-CD1 4.33Å; F32-I86 HydrophobicContact CE2-CG2 4.23Å; F32-I86 HydrophobicContact CZ-CG2 4.32Å; V36-I86 HydrophobicContact CG2-CD1 4.23Å; V36-I86 HydrophobicContact CG2-CG1 4.06Å; V55-I86 HydrophobicContact CG1-CD1 3.47Å; V55-I86 VanDerWaalsContact CG1-CD1 3.47Å; V55-I86 HydrophobicContact CG1-CG1 4.27Å; P71-I86 HydrophobicContact CG-CG1 4.01Å; D82-I86 WeakPolarHBondContact O-CG1 3.38Å; D82-I86 PolarHBondContact O-N 3.5Å; D82-I86 VanDerWaalsContact O-N 3.08Å; M83-I86 HydrophobicContact CE-CB 4.46Å; M83-I86 HydrophobicContact CE-CG2 4.08Å; M83-I86 WeakPolarHBondContact O-CB 3.33Å; M83-I86 PolarHBondContact O-N 3.29Å; M83-I86 VanDerWaalsContact O-N 3.1Å; E84-I86 VanDerWaalsContact C-N 3.35Å; I86-H89 WeakPolarHBondContact O-CB 3.35Å; I86-H89 PolarHBondContact O-N 3.26Å; I86-T90 PolarHBondContact O-N 2.97Å; I86-T90 PolarHBondContact O-OG1 2.88Å
87W98.7Very high98.1Very high0 Ų047.4 Ų47.40%022%0.224CC..Hα-helixtrans-65.7-40.4178.8-68.8-33.6000113.3N13 W80 M83 E84 H89 T90 F91 L106 M120 I123 M124 F128N13-W87 PolarHBondContact OD1-NE1 2.95Å; W80-W87 AromaticContact CZ3-CH2 3.84Å; W80-W87 HydrophobicContact CZ3-CH2 3.84Å; W80-W87 HydrophobicContact CZ3-CZ3 4.19Å; M83-W87 HydrophobicContact CE-CD2 4.13Å; M83-W87 VanDerWaalsContact CE-CE2 3.4Å; M83-W87 HydrophobicContact CE-CG 4.36Å; M83-W87 HydrophobicContact CE-CZ2 3.8Å; M83-W87 HydrophobicContact CG-CD2 4.19Å; M83-W87 HydrophobicContact CG-CE3 4.25Å; M83-W87 HydrophobicContact CG-CH2 4.1Å; M83-W87 HydrophobicContact CG-CZ2 3.96Å; M83-W87 HydrophobicContact CG-CZ3 4.22Å; M83-W87 PolarHBondContact O-N 2.89Å; E84-W87 PolarHBondContact O-N 2.8Å; W87-H89 VanDerWaalsContact C-N 3.28Å; W87-H89 PolarHBondContact O-N 3.02Å; W87-T90 WeakPolarHBondContact O-CB 3.46Å; W87-T90 PolarHBondContact O-N 3.17Å; W87-T90 VanDerWaalsContact O-N 3.14Å; W87-F91 HydrophobicContact CB-CD2 4.48Å; W87-F91 HydrophobicContact CB-CE2 4.14Å; W87-F91 WeakPolarHBondContact O-CD2 3.21Å; W87-F91 PolarHBondContact O-N 3.17Å; W87-L106 HydrophobicContact CH2-CD1 4.27Å; W87-L106 HydrophobicContact CZ2-CD1 4.02Å; W87-L106 HydrophobicContact CZ2-CD2 4.28Å; W87-M120 HydrophobicContact CH2-CB 4.21Å; W87-M120 HydrophobicContact CH2-CG 3.94Å; W87-M120 HydrophobicContact CZ2-CG 4.45Å; W87-I123 HydrophobicContact CE3-CG2 3.78Å; W87-I123 HydrophobicContact CZ3-CB 4.02Å; W87-I123 HydrophobicContact CZ3-CD1 3.86Å; W87-I123 HydrophobicContact CZ3-CG2 3.65Å; W87-M124 HydrophobicContact CB-CE 4.29Å; W87-M124 HydrophobicContact CD2-CE 3.38Å; W87-M124 HydrophobicContact CE3-CE 3.28Å; W87-M124 HydrophobicContact CG-CE 3.88Å; W87-M124 HydrophobicContact CH2-CE 4.01Å; W87-M124 HydrophobicContact CZ2-CE 4.16Å; W87-M124 HydrophobicContact CZ3-CE 3.61Å; W87-F128 HydrophobicContact CB-CE2 3.75Å; W87-F128 HydrophobicContact CB-CZ 3.75Å; W87-F128 HydrophobicContact CE3-CE2 4.08Å
88H98.4Very high98.1Very high96 Ų9647.7 Ų47.744%0.44423%0.228SC..Hα-helixtrans-57.5-44.5172.3-176.9-67.6000111E84 F91 Y92 F128E84-H88 WeakPolarHBondContact O-CB 3.11Å; E84-H88 PolarHBondContact O-N 3.33Å; H88-F91 PolarHBondContact O-N 3.28Å; H88-Y92 HydrophobicContact CB-CD2 4.47Å; H88-Y92 AromaticContact CD2-CD2 3.61Å; H88-Y92 AromaticContact CD2-CE2 3.62Å; H88-Y92 AromaticContact CE1-CD2 3.44Å; H88-Y92 VanDerWaalsContact CE1-CD2 3.44Å; H88-Y92 WeakPolarHBondContact CE1-CD2 3.24Å; H88-Y92 AromaticContact CG-CD2 3.67Å; H88-Y92 AromaticContact ND1-CD2 3.57Å; H88-Y92 AromaticContact NE2-CD2 3.49Å; H88-Y92 WeakPolarHBondContact NE2-CD2 3.07Å; H88-Y92 AromaticContact NE2-CE2 3.69Å; H88-Y92 VanDerWaalsContact O-CD2 3.25Å; H88-Y92 WeakPolarHBondContact O-CD2 3.42Å; H88-Y92 PolarHBondContact O-N 3.24Å; H88-F128 HydrophobicContact CB-CE1 4.09Å; H88-F128 HydrophobicContact CB-CZ 4.2Å
89H98.4Very high98.2Very high16 Ų1644.6 Ų44.67%0.07421%0.206CC..Hα-helixtrans-62.6-43.6175-176.770.1000112F32 V55 K85 I86 W87 F91 N93 E94F32-H89 AromaticContact CE2-CD2 3.77Å; V55-H89 HydrophobicContact CB-CB 3.92Å; V55-H89 HydrophobicContact CG1-CB 3.61Å; V55-H89 HydrophobicContact CG2-CB 4.33Å; K85-H89 VanDerWaalsContact O-CB 3.31Å; K85-H89 WeakPolarHBondContact O-CB 3.48Å; K85-H89 PolarHBondContact O-N 3.1Å; I86-H89 WeakPolarHBondContact O-CB 3.35Å; I86-H89 PolarHBondContact O-N 3.26Å; W87-H89 VanDerWaalsContact C-N 3.28Å; W87-H89 PolarHBondContact O-N 3.02Å; H89-F91 PolarHBondContact O-N 3.04Å; H89-N93 WeakPolarHBondContact ND1-CB 3.2Å; H89-N93 PolarHBondContact ND1-OD1 2.88Å; H89-N93 WeakPolarHBondContact O-CA 3.23Å; H89-N93 VanDerWaalsContact O-CB 3.28Å; H89-N93 WeakPolarHBondContact O-CB 3.44Å; H89-N93 PolarHBondContact O-N 3.47Å; H89-E94 IonicContact CE1-OE1 3.77Å; H89-E94 IonicContact NE2-OE1 2.85Å; H89-E94 PolarHBondContact NE2-OE1 3.33Å; H89-E94 PolarHBondContact O-N 3.04Å; H89-E94 VanDerWaalsContact O-N 3.11Å
90T98.7Very high98.2Very high0 Ų046.8 Ų46.80%022%0.215CC..Iπ-helixtrans-54.3-52.5174.8-55.20000111.6I11 A20 F32 I86 W87 L95I11-T90 HydrophobicContact CD1-CG2 4.03Å; I11-T90 HydrophobicContact CG1-CG2 4.26Å; A20-T90 HydrophobicContact CB-CG2 3.28Å; F32-T90 VanDerWaalsContact CZ-OG1 3.32Å; F32-T90 WeakPolarHBondContact CZ-OG1 3.1Å; I86-T90 PolarHBondContact O-N 2.97Å; I86-T90 PolarHBondContact O-OG1 2.88Å; W87-T90 WeakPolarHBondContact O-CB 3.46Å; W87-T90 PolarHBondContact O-N 3.17Å; W87-T90 VanDerWaalsContact O-N 3.14Å; T90-L95 HydrophobicContact CG2-CD1 4.17Å; T90-L95 HydrophobicContact CG2-CG 4.38Å; T90-L95 WeakPolarHBondContact O-CB 3.5Å; T90-L95 WeakPolarHBondContact O-CG 3.42Å; T90-L95 PolarHBondContact O-N 3.21Å
91F98.6Very high98.1Very high0 Ų050.5 Ų50.50%023%0.234CC..Iπ-helixtrans-69.4-52.5-176.1-64.6-55.3000112.2L9 I11 W87 H88 H89 R96 V97 P99 V104 M124 F128L9-F91 HydrophobicContact CD1-CD1 3.78Å; L9-F91 HydrophobicContact CD1-CE1 3.65Å; I11-F91 HydrophobicContact CD1-CD1 4.49Å; I11-F91 HydrophobicContact CD1-CE1 3.62Å; I11-F91 HydrophobicContact CD1-CE2 4.47Å; I11-F91 HydrophobicContact CD1-CZ 3.61Å; W87-F91 HydrophobicContact CB-CD2 4.48Å; W87-F91 HydrophobicContact CB-CE2 4.14Å; W87-F91 WeakPolarHBondContact O-CD2 3.21Å; W87-F91 PolarHBondContact O-N 3.17Å; H88-F91 PolarHBondContact O-N 3.28Å; H89-F91 PolarHBondContact O-N 3.04Å; F91-R96 VanDerWaalsContact O-CA 3.31Å; F91-R96 WeakPolarHBondContact O-CA 3.37Å; F91-R96 PolarHBondContact O-N 3.01Å; F91-V97 HydrophobicContact CD1-CG2 4.37Å; F91-V97 PolarHBondContact O-N 2.96Å; F91-P99 HydrophobicContact CB-CG 4.33Å; F91-P99 HydrophobicContact CD1-CB 3.89Å; F91-P99 HydrophobicContact CD2-CB 3.86Å; F91-P99 HydrophobicContact CD2-CG 3.99Å; F91-P99 HydrophobicContact CE1-CB 3.97Å; F91-P99 HydrophobicContact CE2-CB 3.94Å; F91-P99 HydrophobicContact CE2-CG 4.45Å; F91-P99 HydrophobicContact CG-CB 3.85Å; F91-P99 HydrophobicContact CG-CG 4.08Å; F91-P99 HydrophobicContact CZ-CB 3.99Å; F91-V104 HydrophobicContact CE1-CG1 4.47Å; F91-V104 HydrophobicContact CE1-CG2 4.08Å; F91-V104 HydrophobicContact CZ-CG1 4.22Å; F91-V104 HydrophobicContact CZ-CG2 4.06Å; F91-M124 HydrophobicContact CE2-CE 4.36Å; F91-M124 HydrophobicContact CE2-SD 4.37Å; F91-M124 HydrophobicContact CZ-SD 4.14Å; F91-F128 AromaticContact CD2-CD1 3.8Å; F91-F128 HydrophobicContact CD2-CD1 3.8Å; F91-F128 AromaticContact CD2-CE1 3.88Å; F91-F128 HydrophobicContact CD2-CE1 3.88Å; F91-F128 HydrophobicContact CD2-CG 4.22Å; F91-F128 HydrophobicContact CD2-CZ 4.37Å; F91-F128 HydrophobicContact CE2-CB 4.41Å; F91-F128 AromaticContact CE2-CD1 3.94Å; F91-F128 HydrophobicContact CE2-CD1 3.94Å; F91-F128 HydrophobicContact CE2-CD2 4.06Å; F91-F128 HydrophobicContact CE2-CE1 4.2Å; F91-F128 HydrophobicContact CE2-CE2 4.31Å; F91-F128 AromaticContact CE2-CG 3.87Å; F91-F128 HydrophobicContact CE2-CG 3.87Å; F91-F128 HydrophobicContact CE2-CZ 4.38Å
92Y98.1Very high98.1Very high96 Ų9646.5 Ų46.538%0.37621%0.212SC..Iπ-helixtrans-92.6-27.2-166.4-62-70.4000114.6H88 F128H88-Y92 HydrophobicContact CB-CD2 4.47Å; H88-Y92 AromaticContact CD2-CD2 3.61Å; H88-Y92 AromaticContact CD2-CE2 3.62Å; H88-Y92 AromaticContact CE1-CD2 3.44Å; H88-Y92 VanDerWaalsContact CE1-CD2 3.44Å; H88-Y92 WeakPolarHBondContact CE1-CD2 3.24Å; H88-Y92 AromaticContact CG-CD2 3.67Å; H88-Y92 AromaticContact ND1-CD2 3.57Å; H88-Y92 AromaticContact NE2-CD2 3.49Å; H88-Y92 WeakPolarHBondContact NE2-CD2 3.07Å; H88-Y92 AromaticContact NE2-CE2 3.69Å; H88-Y92 VanDerWaalsContact O-CD2 3.25Å; H88-Y92 WeakPolarHBondContact O-CD2 3.42Å; H88-Y92 PolarHBondContact O-N 3.24Å; Y92-F128 HydrophobicContact CE2-CE1 4.46Å
93N97.5Very high98.1Very high74 Ų7447.6 Ų47.640%0.39622%0.219SC..Iπ-helixtrans-98.9-50.8-178.5-64.598.5000112.1H89 R96H89-N93 WeakPolarHBondContact ND1-CB 3.2Å; H89-N93 PolarHBondContact ND1-OD1 2.88Å; H89-N93 WeakPolarHBondContact O-CA 3.23Å; H89-N93 VanDerWaalsContact O-CB 3.28Å; H89-N93 WeakPolarHBondContact O-CB 3.44Å; H89-N93 PolarHBondContact O-N 3.47Å; N93-R96 WeakPolarHBondContact O-CG 3.41Å; N93-R96 PolarHBondContact O-NE 3.26Å
94E98.2Very high98.1Very high69 Ų6947.5 Ų47.532%0.32222%0.219SC..Iπ-helixtrans-80.8-56-172.8-64.1-59.2128.900111.5A30 F32 H89A30-E94 HydrophobicContact CB-CB 3.67Å; A30-E94 HydrophobicContact CB-CG 4.24Å; F32-E94 HydrophobicContact CD1-CG 3.75Å; F32-E94 HydrophobicContact CE1-CB 4.48Å; F32-E94 HydrophobicContact CE1-CG 3.77Å; H89-E94 IonicContact CE1-OE1 3.77Å; H89-E94 IonicContact NE2-OE1 2.85Å; H89-E94 PolarHBondContact NE2-OE1 3.33Å; H89-E94 PolarHBondContact O-N 3.04Å; H89-E94 VanDerWaalsContact O-N 3.11Å
95L97.9Very high98.1Very high18 Ų1845.3 Ų45.39%0.09421%0.208CC..Iπ-helixtrans-85.4-27.4-179.9-60.1-175.7000113.2L9 A20 R29 A30 T90 V97L9-L95 HydrophobicContact CD1-CD1 4.41Å; L9-L95 HydrophobicContact CD2-CD1 4.02Å; A20-L95 HydrophobicContact CB-CD1 4.03Å; A20-L95 HydrophobicContact CB-CD2 4.27Å; A20-L95 HydrophobicContact CB-CG 4.3Å; R29-L95 HydrophobicContact CB-CD2 3.76Å; R29-L95 HydrophobicContact CG-CD2 4.42Å; A30-L95 HydrophobicContact CB-CD2 4.48Å; T90-L95 HydrophobicContact CG2-CD1 4.17Å; T90-L95 HydrophobicContact CG2-CG 4.38Å; T90-L95 WeakPolarHBondContact O-CB 3.5Å; T90-L95 WeakPolarHBondContact O-CG 3.42Å; T90-L95 PolarHBondContact O-N 3.21Å; L95-V97 HydrophobicContact CB-CG1 4.39Å; L95-V97 HydrophobicContact CB-CG2 3.86Å; L95-V97 HydrophobicContact CD1-CG2 4.5Å
96R98Very high98.1Very high208 Ų20842.5 Ų42.579%0.78520%0.196SC*.  trans56.847.4-177.9-53.3-179.5-177.2-175.21.3113F91 N93F91-R96 VanDerWaalsContact O-CA 3.31Å; F91-R96 WeakPolarHBondContact O-CA 3.37Å; F91-R96 PolarHBondContact O-N 3.01Å; N93-R96 WeakPolarHBondContact O-CG 3.41Å; N93-R96 PolarHBondContact O-NE 3.26Å
97V97.8Very high98.1Very high22 Ų2242.5 Ų42.513%0.13320%0.196CC..  trans-123.3159.8-179.8-63.10000111.4L9 F22 F91 L95L9-V97 HydrophobicContact CD1-CG2 3.7Å; L9-V97 HydrophobicContact CD2-CG2 4.44Å; F22-V97 HydrophobicContact CE1-CG1 4.14Å; F22-V97 HydrophobicContact CZ-CG1 3.63Å; F91-V97 HydrophobicContact CD1-CG2 4.37Å; F91-V97 PolarHBondContact O-N 2.96Å; L95-V97 HydrophobicContact CB-CG1 4.39Å; L95-V97 HydrophobicContact CB-CG2 3.86Å; L95-V97 HydrophobicContact CD1-CG2 4.5Å
98A97.7Very high98Very high23 Ų2343.1 Ų43.119%0.1920%0.199CC..  trans-89.9111.7170.700000109.3E100 E101 H102A98-E100 HydrophobicContact CB-CG 4.29Å; A98-E100 PolarHBondContact O-N 3.34Å; A98-E100 VanDerWaalsContact O-N 3.13Å; A98-E101 HydrophobicContact CB-CG 4.02Å; A98-E101 PolarHBondContact O-N 2.85Å; A98-H102 PolarHBondContact O-CD2 3.08Å
99P97.6Very high97.8Very high0 Ų038.6 Ų38.60%018%0.178CC..G310 helixtrans-61.4-21.9-176.124.4-33.2000114.1F91 E101 H102 F128 S130F91-P99 HydrophobicContact CB-CG 4.33Å; F91-P99 HydrophobicContact CD1-CB 3.89Å; F91-P99 HydrophobicContact CD2-CB 3.86Å; F91-P99 HydrophobicContact CD2-CG 3.99Å; F91-P99 HydrophobicContact CE1-CB 3.97Å; F91-P99 HydrophobicContact CE2-CB 3.94Å; F91-P99 HydrophobicContact CE2-CG 4.45Å; F91-P99 HydrophobicContact CG-CB 3.85Å; F91-P99 HydrophobicContact CG-CG 4.08Å; F91-P99 HydrophobicContact CZ-CB 3.99Å; P99-E101 PolarHBondContact O-N 2.75Å; P99-H102 PolarHBondContact O-N 2.73Å; P99-F128 HydrophobicContact CB-CB 4.05Å; P99-F128 HydrophobicContact CG-CB 3.96Å; P99-F128 HydrophobicContact CG-CD1 3.93Å; P99-F128 HydrophobicContact CG-CG 4.36Å; P99-S130 WeakPolarHBondContact O-CA 3.45Å; P99-S130 PolarHBondContact O-OG 2.96Å
100E97.8Very high97.6Very high97 Ų9737.9 Ų37.945%0.45318%0.175SC..G310 helixtrans-69-12.5173.762.6-94.5-136.900114.2A98 N129 P131A98-E100 HydrophobicContact CB-CG 4.29Å; A98-E100 PolarHBondContact O-N 3.34Å; A98-E100 VanDerWaalsContact O-N 3.13Å; E100-N129 WeakPolarHBondContact CA-O 3.26Å; E100-N129 HydrophobicContact CB-CB 3.99Å; E100-P131 WeakPolarHBondContact O-CD 3.49Å
101E97.3Very high97.2Very high123 Ų12344.7 Ų44.758%0.57521%0.209SC*.G310 helixtrans-96.5-7.5177.9-62.5-178.5164.600112.7I6 A98 P99I6-E101 WeakPolarHBondContact CG2-O 3.39Å; A98-E101 HydrophobicContact CB-CG 4.02Å; A98-E101 PolarHBondContact O-N 2.85Å; P99-E101 PolarHBondContact O-N 2.75Å
102H97.5Very high97Very high27 Ų2745.6 Ų45.613%0.12521%0.214CC..SBendtrans-134.3134.1-170.1-61.8-86.1000113.8S7 L9 F22 A98 P99 P131S7-H102 PolarHBondContact O-ND1 3.09Å; L9-H102 HydrophobicContact CD1-CB 3.81Å; L9-H102 HydrophobicContact CG-CB 3.76Å; F22-H102 AromaticContact CE1-CE1 4Å; A98-H102 PolarHBondContact O-CD2 3.08Å; P99-H102 PolarHBondContact O-N 2.73Å; H102-P131 VanDerWaalsContact O-CD 3.31Å; H102-P131 WeakPolarHBondContact O-CD 3.36Å
103P97.6Very high96.9Very high23 Ų2343.8 Ų43.815%0.14921%0.214CC..  trans-58143.2163.3-22.133.4000111.4A8 L9 A132 W357A8-P103 CarbonylContact C-O 3.58Å; A8-P103 VanDerWaalsContact CA-O 3.31Å; A8-P103 WeakPolarHBondContact CA-O 3.24Å; A8-P103 HydrophobicContact CB-CB 4.06Å; L9-P103 PolarHBondContact N-O 2.9Å; P103-A132 CarbonylContact C-O 3.55Å; P103-A132 VanDerWaalsContact CA-O 3.27Å; P103-A132 WeakPolarHBondContact CA-O 3.18Å; P103-A132 HydrophobicContact CB-CB 4.13Å; P103-A132 HydrophobicContact CG-CB 4.46Å; P103-W357 HydrophobicContact CB-CD2 4.35Å; P103-W357 HydrophobicContact CB-CE3 4.36Å; P103-W357 HydrophobicContact CB-CH2 4.1Å; P103-W357 HydrophobicContact CB-CZ2 4.08Å; P103-W357 HydrophobicContact CB-CZ3 4.25Å
104V98.6Very high96.8Very high0 Ų047.2 Ų47.20%023%0.225CC..EExtended strand (participates in β ladder)trans-123.2117.8-177.3-174.50000111.9L9 I11 F91 L106 M124 S130 A132 M133 Y134L9-V104 HydrophobicContact CB-CG2 4.45Å; L9-V104 CarbonylContact O-C 3.55Å; L9-V104 WeakPolarHBondContact O-CA 3.39Å; I11-V104 HydrophobicContact CD1-CG1 3.95Å; I11-V104 HydrophobicContact CG1-CG1 4.35Å; F91-V104 HydrophobicContact CE1-CG1 4.47Å; F91-V104 HydrophobicContact CE1-CG2 4.08Å; F91-V104 HydrophobicContact CZ-CG1 4.22Å; F91-V104 HydrophobicContact CZ-CG2 4.06Å; V104-L106 HydrophobicContact CG1-CD2 3.87Å; V104-L106 HydrophobicContact CG1-CG 4.18Å; V104-M124 HydrophobicContact CB-SD 4.45Å; V104-M124 HydrophobicContact CG1-SD 4.15Å; V104-S130 WeakPolarHBondContact CG2-OG 3.22Å; V104-A132 PolarHBondContact N-O 3.35Å; V104-M133 CarbonylContact O-C 3.54Å; V104-M133 WeakPolarHBondContact O-CA 3.07Å; V104-M133 VanDerWaalsContact O-CB 3.31Å; V104-M133 WeakPolarHBondContact O-CB 3.28Å; V104-Y134 PolarHBondContact O-N 3.23Å
105L98.5Very high96.8Very high0 Ų047 Ų470%024%0.235CC..EExtended strand (participates in β ladder)trans-90.8116166.8-169.9152.7000109.4L9 V10 I11 T107 Y134 A136 L141 L347 A348 F353 W357L9-L105 PolarHBondContact O-N 2.82Å; V10-L105 WeakPolarHBondContact CA-O 3.48Å; V10-L105 HydrophobicContact CG1-CD2 4.19Å; V10-L105 HydrophobicContact CG2-CB 4.37Å; I11-L105 PolarHBondContact N-O 2.88Å; L105-T107 HydrophobicContact CD2-CG2 4.24Å; L105-Y134 WeakPolarHBondContact CA-O 3.39Å; L105-A136 HydrophobicContact CD2-CB 4.26Å; L105-L141 HydrophobicContact CD2-CD1 4.11Å; L105-L347 HydrophobicContact CD1-CD2 4.22Å; L105-A348 HydrophobicContact CD1-CB 4.12Å; L105-F353 HydrophobicContact CD1-CE1 4.27Å; L105-F353 HydrophobicContact CD1-CZ 4.19Å; L105-W357 HydrophobicContact CB-CH2 3.91Å; L105-W357 HydrophobicContact CB-CZ3 4.17Å
106L98.6Very high96.8Very high0 Ų047 Ų470%024%0.235CC..EExtended strand (participates in β ladder)trans-99145.5171.5-62.1177000110I11 W87 V104 M120 M124 M133 Y134 V135 A136I11-L106 HydrophobicContact CB-CD2 3.94Å; I11-L106 HydrophobicContact CD1-CD2 4.1Å; I11-L106 HydrophobicContact CG1-CD2 4.43Å; I11-L106 HydrophobicContact CG2-CD2 4.44Å; W87-L106 HydrophobicContact CH2-CD1 4.27Å; W87-L106 HydrophobicContact CZ2-CD1 4.02Å; W87-L106 HydrophobicContact CZ2-CD2 4.28Å; V104-L106 HydrophobicContact CG1-CD2 3.87Å; V104-L106 HydrophobicContact CG1-CG 4.18Å; L106-M120 HydrophobicContact CD1-CB 4.03Å; L106-M120 HydrophobicContact CD1-SD 4.36Å; L106-M124 HydrophobicContact CD1-CE 4.08Å; L106-M124 HydrophobicContact CD1-CG 3.67Å; L106-M124 HydrophobicContact CD1-SD 4.14Å; L106-M124 HydrophobicContact CD2-CE 4.27Å; L106-M124 HydrophobicContact CD2-SD 4.38Å; L106-M124 HydrophobicContact CG-CG 4.48Å; L106-M133 HydrophobicContact CD1-CE 4.24Å; L106-Y134 PolarHBondContact N-O 3.39Å; L106-V135 CarbonylContact O-C 3.59Å; L106-V135 VanDerWaalsContact O-CA 3.32Å; L106-V135 WeakPolarHBondContact O-CA 3.37Å; L106-A136 PolarHBondContact O-N 3.34Å
107T97.8Very high96.8Very high1 Ų138.5 Ų38.51%0.00620%0.203CC..EExtended strand (participates in β ladder)trans-98.9151.9171.675.40000112I11 D12 N13 L105 A136 Q138 L141 V340I11-T107 PolarHBondContact O-N 3.04Å; I11-T107 VanDerWaalsContact O-N 3.07Å; D12-T107 VanDerWaalsContact CA-OG1 3.29Å; D12-T107 WeakPolarHBondContact CA-OG1 3.43Å; D12-T107 HydrophobicContact CB-CG2 4.13Å; D12-T107 PolarHBondContact OD1-OG1 2.95Å; N13-T107 PolarHBondContact N-OG1 2.87Å; N13-T107 PolarHBondContact ND2-O 2.81Å; N13-T107 VanDerWaalsContact ND2-O 3.14Å; L105-T107 HydrophobicContact CD2-CG2 4.24Å; T107-A136 CarbonylContact C-O 3.56Å; T107-A136 VanDerWaalsContact CA-O 3.27Å; T107-A136 WeakPolarHBondContact CA-O 3.41Å; T107-Q138 PolarHBondContact OG1-NE2 3.09Å; T107-L141 HydrophobicContact CG2-CD1 3.63Å; T107-V340 HydrophobicContact CG2-CG1 3.8Å
108E96.7Very high96.8Very high12 Ų1240.9 Ų40.96%0.05621%0.213CC..EExtended strand (participates in β ladder)trans-134.4152.7172.469.1176.1-173.100113.4N112 R117 M120 V135 A136 I137 Q138E108-N112 HydrophobicContact CB-CB 4.21Å; E108-N112 HydrophobicContact CG-CB 4.37Å; E108-N112 WeakPolarHBondContact OE2-CB 3.29Å; E108-N112 PolarHBondContact OE2-ND2 3.12Å; E108-R117 WeakPolarHBondContact OE1-CD 3.3Å; E108-R117 IonicContact OE1-CZ 2.69Å; E108-R117 IonicContact OE1-NE 3.03Å; E108-R117 IonicContact OE1-NH1 2.74Å; E108-R117 PolarHBondContact OE1-NH1 3.36Å; E108-R117 WeakPolarHBondContact OE2-CD 3.39Å; E108-R117 WeakPolarHBondContact OE2-CG 3.4Å; E108-M120 HydrophobicContact CB-CE 4.26Å; E108-M120 WeakPolarHBondContact OE2-CE 3.08Å; E108-V135 HydrophobicContact CB-CG1 3.94Å; E108-V135 HydrophobicContact CG-CG1 3.61Å; E108-V135 WeakPolarHBondContact OE2-CG1 3.37Å; E108-A136 PolarHBondContact N-O 3.04Å; E108-I137 WeakPolarHBondContact O-CA 3.46Å; E108-Q138 WeakPolarHBondContact O-CG 3.34Å; E108-Q138 PolarHBondContact O-N 2.78Å
109A94.8Very high96.8Very high1 Ų142.8 Ų42.81%0.00822%0.217CC..  trans-66.3151.2169.400000110.8N112A109-N112 WeakPolarHBondContact O-CB 3.36Å; A109-N112 PolarHBondContact O-N 3.09Å
110P93.5Very high96.8Very high2 Ų243 Ų431%0.01322%0.218CC..THydrogen-bonded Turntrans-54.2144.2170.7-22.232.3000111.8N112 I137 H162 V164 I176P110-N112 PolarHBondContact O-N 3.1Å; P110-I137 HydrophobicContact CB-CG2 4.41Å; P110-I137 HydrophobicContact CG-CG2 3.96Å; P110-H162 HydrophobicContact CG-CB 4.12Å; P110-V164 HydrophobicContact CB-CG2 4.14Å; P110-V164 HydrophobicContact CG-CG2 3.45Å; P110-V164 VanDerWaalsContact CG-CG2 3.45Å; P110-I176 HydrophobicContact CB-CD1 4.19Å; P110-I176 HydrophobicContact CB-CG2 3.85Å
111M90.2Very high96.9Very high142 Ų14238.4 Ų38.470%0.720%0.196SC*.THydrogen-bonded Turntrans6125.4179.3-54.5-64.6-69.400114.6I176M111-I176 HydrophobicContact CG-CG2 4.41Å
112N94.6Very high96.9Very high19 Ų1935.3 Ų35.310%0.10218%0.182CC..  trans-55.5134.8173.5-170.232.8000111E108 A109 P110 K114 M120E108-N112 HydrophobicContact CB-CB 4.21Å; E108-N112 HydrophobicContact CG-CB 4.37Å; E108-N112 WeakPolarHBondContact OE2-CB 3.29Å; E108-N112 PolarHBondContact OE2-ND2 3.12Å; A109-N112 WeakPolarHBondContact O-CB 3.36Å; A109-N112 PolarHBondContact O-N 3.09Å; P110-N112 PolarHBondContact O-N 3.1Å; N112-K114 PolarHBondContact O-N 2.74Å; N112-M120 WeakPolarHBondContact ND2-CE 3.5Å
113P96Very high97Very high59 Ų5934.1 Ų34.138%0.38318%0.176SC..  trans-54.4139.8178.8-29.736.3000112.9A115 N116 R117P113-A115 VanDerWaalsContact C-N 3.25Å; P113-A115 PolarHBondContact O-N 2.83Å; P113-N116 HydrophobicContact CB-CB 4.38Å; P113-N116 WeakPolarHBondContact O-CA 3.49Å; P113-N116 WeakPolarHBondContact O-CB 3.38Å; P113-N116 PolarHBondContact O-N 3.23Å; P113-R117 PolarHBondContact O-N 2.76Å
114K96.4Very high97Very high145 Ų14533 Ų3363%0.6317%0.169SC*.Hα-helixtrans-55.8-40.4178.3-74.8-169.3174.7-175.10113N112 N116 R117 E118 H372N112-K114 PolarHBondContact O-N 2.74Å; K114-N116 PolarHBondContact O-N 2.87Å; K114-R117 WeakPolarHBondContact O-CB 3.14Å; K114-R117 PolarHBondContact O-N 2.94Å; K114-R117 VanDerWaalsContact O-N 3.14Å; K114-E118 PolarHBondContact O-N 3.02Å; K114-H372 VanDerWaalsContact CB-CE1 3.46Å; K114-H372 WeakPolarHBondContact CB-CE1 3.4Å; K114-H372 PolarHBondContact O-CE1 2.72Å
115A97.5Very high97Very high64 Ų6433.1 Ų33.153%0.52917%0.17SC..Hα-helixtrans-59.9-3517600000112.2P113 E118 K119P113-A115 VanDerWaalsContact C-N 3.25Å; P113-A115 PolarHBondContact O-N 2.83Å; A115-E118 PolarHBondContact O-N 3.28Å; A115-K119 WeakPolarHBondContact O-CB 3.18Å; A115-K119 PolarHBondContact O-N 3.11Å
116N97.9Very high97Very high20 Ų2038.2 Ų38.211%0.10719%0.194CC..Hα-helixtrans-68.6-41.1176.4-76.219.1000111.2I76 V77 W80 P113 K114 E118 K119 M120I76-N116 WeakPolarHBondContact CG2-ND2 3.48Å; V77-N116 PolarHBondContact O-ND2 3.13Å; W80-N116 HydrophobicContact CH2-CB 4.31Å; W80-N116 WeakPolarHBondContact CH2-O 3.45Å; W80-N116 HydrophobicContact CZ2-CB 3.78Å; P113-N116 HydrophobicContact CB-CB 4.38Å; P113-N116 WeakPolarHBondContact O-CA 3.49Å; P113-N116 WeakPolarHBondContact O-CB 3.38Å; P113-N116 PolarHBondContact O-N 3.23Å; K114-N116 PolarHBondContact O-N 2.87Å; N116-E118 PolarHBondContact O-N 3.46Å; N116-K119 PolarHBondContact O-N 3.05Å; N116-M120 WeakPolarHBondContact O-CG 3.48Å; N116-M120 PolarHBondContact O-N 3.33Å
117R97.7Very high97Very high29 Ų2941.6 Ų41.611%0.10921%0.214CC..Hα-helixtrans-59.8-45.1174.9-68.417857.2165.4-8.7112.5E108 P113 K114 K119 M120 T121 V371 C375E108-R117 WeakPolarHBondContact OE1-CD 3.3Å; E108-R117 IonicContact OE1-CZ 2.69Å; E108-R117 IonicContact OE1-NE 3.03Å; E108-R117 IonicContact OE1-NH1 2.74Å; E108-R117 PolarHBondContact OE1-NH1 3.36Å; E108-R117 WeakPolarHBondContact OE2-CD 3.39Å; E108-R117 WeakPolarHBondContact OE2-CG 3.4Å; P113-R117 PolarHBondContact O-N 2.76Å; K114-R117 WeakPolarHBondContact O-CB 3.14Å; K114-R117 PolarHBondContact O-N 2.94Å; K114-R117 VanDerWaalsContact O-N 3.14Å; R117-K119 VanDerWaalsContact C-N 3.33Å; R117-M120 HydrophobicContact CB-CE 4.36Å; R117-M120 HydrophobicContact CG-CE 3.99Å; R117-T121 WeakPolarHBondContact O-CB 3.39Å; R117-T121 PolarHBondContact O-N 3.17Å; R117-T121 VanDerWaalsContact O-N 3.08Å; R117-T121 PolarHBondContact O-OG1 2.86Å; R117-V371 HydrophobicContact CB-CG1 3.79Å; R117-V371 HydrophobicContact CB-CG2 4.34Å; R117-V371 PolarHBondContact NH2-O 3.33Å; R117-C375 PolarHBondContact NH2-O 3.21Å
118E98.4Very high97Very high72 Ų7241.8 Ų41.834%0.33622%0.215SC..Hα-helixtrans-61.1-43.4174.1-71.9171.2-153.200111K114 A115 N116 T121 Q122 P368 V371 H372K114-E118 PolarHBondContact O-N 3.02Å; A115-E118 PolarHBondContact O-N 3.28Å; N116-E118 PolarHBondContact O-N 3.46Å; E118-T121 WeakPolarHBondContact O-CB 3.42Å; E118-T121 PolarHBondContact O-N 3.21Å; E118-T121 VanDerWaalsContact O-N 3.15Å; E118-Q122 WeakPolarHBondContact O-CB 3.42Å; E118-Q122 PolarHBondContact O-N 2.86Å; E118-P368 HydrophobicContact CB-CB 3.77Å; E118-P368 HydrophobicContact CG-CB 4.09Å; E118-V371 HydrophobicContact CG-CG1 4.47Å; E118-H372 WeakPolarHBondContact CG-NE2 3.33Å; E118-H372 IonicContact OE1-CD2 3.95Å; E118-H372 IonicContact OE1-CE1 3.36Å; E118-H372 IonicContact OE1-NE2 3.11Å; E118-H372 PolarHBondContact OE1-NE2 3.3Å
119K98.4Very high97.1Very high62 Ų6244.9 Ų44.927%0.2723%0.232SC..Hα-helixtrans-68-39.3-179.3-169.359.8-178.9172.90113.2W80 A115 N116 R117 T121 Q122 I123W80-K119 HydrophobicContact CD2-CB 4.12Å; W80-K119 HydrophobicContact CD2-CG 3.34Å; W80-K119 VanDerWaalsContact CE2-CG 3.47Å; W80-K119 HydrophobicContact CE3-CB 4.34Å; W80-K119 HydrophobicContact CE3-CG 3.63Å; W80-K119 HydrophobicContact CG-CG 3.79Å; W80-K119 HydrophobicContact CH2-CB 3.92Å; W80-K119 HydrophobicContact CH2-CG 4.13Å; W80-K119 HydrophobicContact CZ2-CB 3.69Å; W80-K119 HydrophobicContact CZ2-CG 3.89Å; W80-K119 HydrophobicContact CZ3-CB 4.22Å; W80-K119 HydrophobicContact CZ3-CG 3.99Å; A115-K119 WeakPolarHBondContact O-CB 3.18Å; A115-K119 PolarHBondContact O-N 3.11Å; N116-K119 PolarHBondContact O-N 3.05Å; R117-K119 VanDerWaalsContact C-N 3.33Å; K119-T121 PolarHBondContact O-N 3.06Å; K119-Q122 PolarHBondContact O-N 2.85Å; K119-I123 HydrophobicContact CD-CD1 4.26Å; K119-I123 HydrophobicContact CD-CG1 4.43Å; K119-I123 HydrophobicContact CG-CD1 3.98Å; K119-I123 WeakPolarHBondContact O-CD1 3.42Å; K119-I123 VanDerWaalsContact O-CG1 3.29Å; K119-I123 WeakPolarHBondContact O-CG1 3.17Å; K119-I123 PolarHBondContact O-N 2.73Å
120M98.1Very high97.3Very high5 Ų544.8 Ų44.83%0.02523%0.232CC..Hα-helixtrans-56.3-44.9169.7-64.1-169.4-76.100110.6W80 W87 L106 E108 N112 N116 R117 I123 M124 V135W80-M120 HydrophobicContact CH2-CG 3.55Å; W80-M120 HydrophobicContact CZ3-CG 3.87Å; W87-M120 HydrophobicContact CH2-CB 4.21Å; W87-M120 HydrophobicContact CH2-CG 3.94Å; W87-M120 HydrophobicContact CZ2-CG 4.45Å; L106-M120 HydrophobicContact CD1-CB 4.03Å; L106-M120 HydrophobicContact CD1-SD 4.36Å; E108-M120 HydrophobicContact CB-CE 4.26Å; E108-M120 WeakPolarHBondContact OE2-CE 3.08Å; N112-M120 WeakPolarHBondContact ND2-CE 3.5Å; N116-M120 WeakPolarHBondContact O-CG 3.48Å; N116-M120 PolarHBondContact O-N 3.33Å; R117-M120 HydrophobicContact CB-CE 4.36Å; R117-M120 HydrophobicContact CG-CE 3.99Å; M120-I123 PolarHBondContact O-N 3.42Å; M120-M124 WeakPolarHBondContact O-CG 3.5Å; M120-M124 PolarHBondContact O-N 2.82Å; M120-M124 VanDerWaalsContact O-N 3.1Å; M120-V135 HydrophobicContact CE-CG1 3.64Å; M120-V135 HydrophobicContact CE-CG2 4.03Å
121T98.3Very high97.5Very high0 Ų047.1 Ų47.10%025%0.247CC..Hα-helixtrans-63.6-48.7-178.4-53.30000111.7R117 E118 K119 I123 M124 F125 M133 Y363 I370 V371R117-T121 WeakPolarHBondContact O-CB 3.39Å; R117-T121 PolarHBondContact O-N 3.17Å; R117-T121 VanDerWaalsContact O-N 3.08Å; R117-T121 PolarHBondContact O-OG1 2.86Å; E118-T121 WeakPolarHBondContact O-CB 3.42Å; E118-T121 PolarHBondContact O-N 3.21Å; E118-T121 VanDerWaalsContact O-N 3.15Å; K119-T121 PolarHBondContact O-N 3.06Å; T121-I123 PolarHBondContact O-N 2.8Å; T121-M124 PolarHBondContact O-N 2.76Å; T121-F125 HydrophobicContact CG2-CD2 3.88Å; T121-F125 HydrophobicContact CG2-CE2 3.89Å; T121-F125 WeakPolarHBondContact O-CD2 3.33Å; T121-F125 PolarHBondContact O-N 3.49Å; T121-M133 VanDerWaalsContact CA-SD 3.52Å; T121-M133 HydrophobicContact CG2-SD 3.88Å; T121-Y363 HydrophobicContact CG2-CD2 3.79Å; T121-Y363 HydrophobicContact CG2-CE2 3.97Å; T121-I370 HydrophobicContact CG2-CG2 4.46Å; T121-V371 WeakPolarHBondContact OG1-CB 3.47Å
122Q98.4Very high97.8Very high58 Ų5840.9 Ų40.927%0.27122%0.217SC..Hα-helixtrans-55.8-49.7176.5-170.7-169.59.200111.5E118 K119 M124 F125 E126 P368E118-Q122 WeakPolarHBondContact O-CB 3.42Å; E118-Q122 PolarHBondContact O-N 2.86Å; K119-Q122 PolarHBondContact O-N 2.85Å; Q122-M124 PolarHBondContact O-N 2.92Å; Q122-F125 PolarHBondContact O-N 2.87Å; Q122-E126 HydrophobicContact CG-CG 4.14Å; Q122-E126 VanDerWaalsContact CG-OE2 3.27Å; Q122-E126 WeakPolarHBondContact CG-OE2 3.36Å; Q122-E126 PolarHBondContact NE2-OE2 2.96Å; Q122-E126 VanDerWaalsContact O-CB 3.25Å; Q122-E126 WeakPolarHBondContact O-CB 3.41Å; Q122-E126 WeakPolarHBondContact O-CG 3.32Å; Q122-E126 PolarHBondContact O-N 3.38Å; Q122-P368 HydrophobicContact CB-CG 4.19Å
123I98.5Very high98Very high2 Ų240 Ų401%0.0121%0.212CC..Iπ-helixtrans-64.4-44.3-175.8-70165000111.6W80 E84 W87 K119 M120 T121 F125 T127 F128W80-I123 HydrophobicContact CD2-CD1 4.29Å; W80-I123 HydrophobicContact CE3-CD1 3.41Å; W80-I123 VanDerWaalsContact CE3-CD1 3.41Å; W80-I123 HydrophobicContact CZ3-CD1 3.93Å; E84-I123 HydrophobicContact CG-CD1 3.72Å; E84-I123 HydrophobicContact CG-CG1 4.14Å; E84-I123 HydrophobicContact CG-CG2 3.79Å; E84-I123 WeakPolarHBondContact OE1-CD1 3.43Å; E84-I123 WeakPolarHBondContact OE1-CG1 3.48Å; W87-I123 HydrophobicContact CE3-CG2 3.78Å; W87-I123 HydrophobicContact CZ3-CB 4.02Å; W87-I123 HydrophobicContact CZ3-CD1 3.86Å; W87-I123 HydrophobicContact CZ3-CG2 3.65Å; K119-I123 HydrophobicContact CD-CD1 4.26Å; K119-I123 HydrophobicContact CD-CG1 4.43Å; K119-I123 HydrophobicContact CG-CD1 3.98Å; K119-I123 WeakPolarHBondContact O-CD1 3.42Å; K119-I123 VanDerWaalsContact O-CG1 3.29Å; K119-I123 WeakPolarHBondContact O-CG1 3.17Å; K119-I123 PolarHBondContact O-N 2.73Å; M120-I123 PolarHBondContact O-N 3.42Å; T121-I123 PolarHBondContact O-N 2.8Å; I123-F125 VanDerWaalsContact C-N 3.33Å; I123-F125 PolarHBondContact O-N 3.19Å; I123-T127 WeakPolarHBondContact O-CA 3.35Å; I123-T127 VanDerWaalsContact O-CB 3.26Å; I123-T127 WeakPolarHBondContact O-CB 3.24Å; I123-T127 PolarHBondContact O-N 3.22Å; I123-F128 HydrophobicContact CG2-CD2 3.71Å; I123-F128 HydrophobicContact CG2-CE2 3.56Å; I123-F128 PolarHBondContact O-N 2.73Å; I123-F128 VanDerWaalsContact O-N 3.08Å
124M98.6Very high98.1Very high0 Ų038.1 Ų38.10%020%0.198CC..Iπ-helixtrans-62.1-40.7-179.3-71.1-63.3125.900112W87 F91 V104 L106 M120 T121 Q122 F128 N129 S130 M133W87-M124 HydrophobicContact CB-CE 4.29Å; W87-M124 HydrophobicContact CD2-CE 3.38Å; W87-M124 HydrophobicContact CE3-CE 3.28Å; W87-M124 HydrophobicContact CG-CE 3.88Å; W87-M124 HydrophobicContact CH2-CE 4.01Å; W87-M124 HydrophobicContact CZ2-CE 4.16Å; W87-M124 HydrophobicContact CZ3-CE 3.61Å; F91-M124 HydrophobicContact CE2-CE 4.36Å; F91-M124 HydrophobicContact CE2-SD 4.37Å; F91-M124 HydrophobicContact CZ-SD 4.14Å; V104-M124 HydrophobicContact CB-SD 4.45Å; V104-M124 HydrophobicContact CG1-SD 4.15Å; L106-M124 HydrophobicContact CD1-CE 4.08Å; L106-M124 HydrophobicContact CD1-CG 3.67Å; L106-M124 HydrophobicContact CD1-SD 4.14Å; L106-M124 HydrophobicContact CD2-CE 4.27Å; L106-M124 HydrophobicContact CD2-SD 4.38Å; L106-M124 HydrophobicContact CG-CG 4.48Å; M120-M124 WeakPolarHBondContact O-CG 3.5Å; M120-M124 PolarHBondContact O-N 2.82Å; M120-M124 VanDerWaalsContact O-N 3.1Å; T121-M124 PolarHBondContact O-N 2.76Å; Q122-M124 PolarHBondContact O-N 2.92Å; M124-F128 HydrophobicContact CE-CD2 3.73Å; M124-F128 HydrophobicContact CE-CE2 3.99Å; M124-F128 CarbonylContact O-C 3.42Å; M124-F128 HydrophobicContact SD-CD2 4.24Å; M124-N129 PolarHBondContact O-N 3.25Å; M124-N129 VanDerWaalsContact O-N 3.07Å; M124-S130 PolarHBondContact O-N 3.14Å; M124-M133 HydrophobicContact CB-SD 3.6Å; M124-M133 HydrophobicContact CG-CE 4.37Å; M124-M133 HydrophobicContact CG-SD 4.03Å
125F98.6Very high98.2Very high3 Ų331.3 Ų31.31%0.01317%0.169CC..Iπ-helixtrans-82.4-43.3179.7-73.6-61.7000114.2T121 Q122 I123 N129 S130 M133 I358 K360 Y363T121-F125 HydrophobicContact CG2-CD2 3.88Å; T121-F125 HydrophobicContact CG2-CE2 3.89Å; T121-F125 WeakPolarHBondContact O-CD2 3.33Å; T121-F125 PolarHBondContact O-N 3.49Å; Q122-F125 PolarHBondContact O-N 2.87Å; I123-F125 VanDerWaalsContact C-N 3.33Å; I123-F125 PolarHBondContact O-N 3.19Å; F125-N129 VanDerWaalsContact O-CA 3.29Å; F125-N129 WeakPolarHBondContact O-CA 3.29Å; F125-N129 PolarHBondContact O-N 2.95Å; F125-N129 PolarHBondContact O-OD1 3.47Å; F125-S130 WeakPolarHBondContact CD1-O 3.42Å; F125-S130 WeakPolarHBondContact CE1-O 3.25Å; F125-M133 HydrophobicContact CD2-CG 4.35Å; F125-M133 HydrophobicContact CD2-SD 4.03Å; F125-M133 HydrophobicContact CE2-CG 3.52Å; F125-M133 HydrophobicContact CE2-SD 3.71Å; F125-M133 HydrophobicContact CZ-CG 3.64Å; F125-M133 HydrophobicContact CZ-SD 4.37Å; F125-I358 HydrophobicContact CE2-CG2 3.89Å; F125-I358 HydrophobicContact CZ-CB 4.41Å; F125-I358 HydrophobicContact CZ-CG2 3.92Å; F125-I358 WeakPolarHBondContact CZ-O 3.28Å; F125-K360 HydrophobicContact CD1-CB 4.01Å; F125-K360 HydrophobicContact CD1-CG 4.12Å; F125-K360 VanDerWaalsContact CE1-CA 3.44Å; F125-K360 HydrophobicContact CE1-CB 3.9Å; F125-Y363 HydrophobicContact CB-CD1 3.67Å; F125-Y363 HydrophobicContact CB-CD2 4.38Å; F125-Y363 HydrophobicContact CB-CE1 3.75Å; F125-Y363 HydrophobicContact CB-CE2 4.41Å; F125-Y363 HydrophobicContact CB-CG 4Å; F125-Y363 HydrophobicContact CD1-CG 4.48Å; F125-Y363 AromaticContact CD2-CD1 3.95Å; F125-Y363 HydrophobicContact CD2-CD1 3.95Å; F125-Y363 AromaticContact CD2-CD2 3.35Å; F125-Y363 HydrophobicContact CD2-CD2 3.35Å; F125-Y363 HydrophobicContact CD2-CE1 4.5Å; F125-Y363 AromaticContact CD2-CE2 3.95Å; F125-Y363 HydrophobicContact CD2-CE2 3.95Å; F125-Y363 AromaticContact CD2-CG 3.33Å; F125-Y363 HydrophobicContact CD2-CG 3.33Å; F125-Y363 AromaticContact CE2-CD2 3.87Å; F125-Y363 HydrophobicContact CE2-CD2 3.87Å; F125-Y363 AromaticContact CE2-CG 3.84Å; F125-Y363 HydrophobicContact CE2-CG 3.84Å; F125-Y363 AromaticContact CG-CD1 3.85Å; F125-Y363 HydrophobicContact CG-CD1 3.85Å; F125-Y363 HydrophobicContact CG-CD2 4.11Å; F125-Y363 HydrophobicContact CG-CE1 4.38Å; F125-Y363 AromaticContact CG-CG 3.7Å; F125-Y363 HydrophobicContact CG-CG 3.7Å
126E98.4Very high98.2Very high106 Ų10628.7 Ų28.750%0.49515%0.147SC..Iπ-helixtrans-85.9-42.9-173.2-63.4-178.8-173.200112.6Q122 Y363Q122-E126 HydrophobicContact CG-CG 4.14Å; Q122-E126 VanDerWaalsContact CG-OE2 3.27Å; Q122-E126 WeakPolarHBondContact CG-OE2 3.36Å; Q122-E126 PolarHBondContact NE2-OE2 2.96Å; Q122-E126 VanDerWaalsContact O-CB 3.25Å; Q122-E126 WeakPolarHBondContact O-CB 3.41Å; Q122-E126 WeakPolarHBondContact O-CG 3.32Å; Q122-E126 PolarHBondContact O-N 3.38Å; E126-Y363 HydrophobicContact CG-CE1 4.14Å; E126-Y363 PolarHBondContact OE1-OH 3.12Å
127T98.3Very high98.1Very high71 Ų7128.5 Ų28.544%0.43615%0.146SC..Iπ-helixtrans-86.3-50-178.2-54.30000111.2I123I123-T127 WeakPolarHBondContact O-CA 3.35Å; I123-T127 VanDerWaalsContact O-CB 3.26Å; I123-T127 WeakPolarHBondContact O-CB 3.24Å; I123-T127 PolarHBondContact O-N 3.22Å
128F98.4Very high98.1Very high6 Ų627.8 Ų27.83%0.02614%0.143CC..SBendtrans-95.3-5.6-175-65.5-66.4000114.4W87 H88 F91 Y92 P99 I123 M124 S130W87-F128 HydrophobicContact CB-CE2 3.75Å; W87-F128 HydrophobicContact CB-CZ 3.75Å; W87-F128 HydrophobicContact CE3-CE2 4.08Å; H88-F128 HydrophobicContact CB-CE1 4.09Å; H88-F128 HydrophobicContact CB-CZ 4.2Å; F91-F128 AromaticContact CD2-CD1 3.8Å; F91-F128 HydrophobicContact CD2-CD1 3.8Å; F91-F128 AromaticContact CD2-CE1 3.88Å; F91-F128 HydrophobicContact CD2-CE1 3.88Å; F91-F128 HydrophobicContact CD2-CG 4.22Å; F91-F128 HydrophobicContact CD2-CZ 4.37Å; F91-F128 HydrophobicContact CE2-CB 4.41Å; F91-F128 AromaticContact CE2-CD1 3.94Å; F91-F128 HydrophobicContact CE2-CD1 3.94Å; F91-F128 HydrophobicContact CE2-CD2 4.06Å; F91-F128 HydrophobicContact CE2-CE1 4.2Å; F91-F128 HydrophobicContact CE2-CE2 4.31Å; F91-F128 AromaticContact CE2-CG 3.87Å; F91-F128 HydrophobicContact CE2-CG 3.87Å; F91-F128 HydrophobicContact CE2-CZ 4.38Å; Y92-F128 HydrophobicContact CE2-CE1 4.46Å; P99-F128 HydrophobicContact CB-CB 4.05Å; P99-F128 HydrophobicContact CG-CB 3.96Å; P99-F128 HydrophobicContact CG-CD1 3.93Å; P99-F128 HydrophobicContact CG-CG 4.36Å; I123-F128 HydrophobicContact CG2-CD2 3.71Å; I123-F128 HydrophobicContact CG2-CE2 3.56Å; I123-F128 PolarHBondContact O-N 2.73Å; I123-F128 VanDerWaalsContact O-N 3.08Å; M124-F128 HydrophobicContact CE-CD2 3.73Å; M124-F128 HydrophobicContact CE-CE2 3.99Å; M124-F128 CarbonylContact O-C 3.42Å; M124-F128 HydrophobicContact SD-CD2 4.24Å; F128-S130 PolarHBondContact O-N 3.03Å; F128-S130 VanDerWaalsContact O-N 3.08Å
129N98.1Very high98Very high76 Ų7624.4 Ų24.441%0.40613%0.128SC..  trans54.126.8177.8-72-70.2000115E100 M124 F125 K360E100-N129 WeakPolarHBondContact CA-O 3.26Å; E100-N129 HydrophobicContact CB-CB 3.99Å; M124-N129 PolarHBondContact O-N 3.25Å; M124-N129 VanDerWaalsContact O-N 3.07Å; F125-N129 VanDerWaalsContact O-CA 3.29Å; F125-N129 WeakPolarHBondContact O-CA 3.29Å; F125-N129 PolarHBondContact O-N 2.95Å; F125-N129 PolarHBondContact O-OD1 3.47Å; N129-K360 PolarHBondContact OD1-NZ 3.37Å
130S98.3Very high97.9Very high0 Ų022.2 Ų22.20%012%0.12CC..  trans-57.3135.6179.9-64.30000111P99 V104 M124 F125 F128 A132P99-S130 WeakPolarHBondContact O-CA 3.45Å; P99-S130 PolarHBondContact O-OG 2.96Å; V104-S130 WeakPolarHBondContact CG2-OG 3.22Å; M124-S130 PolarHBondContact O-N 3.14Å; F125-S130 WeakPolarHBondContact CD1-O 3.42Å; F125-S130 WeakPolarHBondContact CE1-O 3.25Å; F128-S130 PolarHBondContact O-N 3.03Å; F128-S130 VanDerWaalsContact O-N 3.08Å; S130-A132 VanDerWaalsContact C-N 3.27Å; S130-A132 PolarHBondContact O-N 3.36Å
131P97.7Very high97.9Very high51 Ų5122 Ų2233%0.33112%0.119SC..SBendtrans-68.7-28.9-176.226.6-35.1000112.3E100 H102 K360E100-P131 WeakPolarHBondContact O-CD 3.49Å; H102-P131 VanDerWaalsContact O-CD 3.31Å; H102-P131 WeakPolarHBondContact O-CD 3.36Å; P131-K360 PolarHBondContact O-N 2.99Å
132A97.9Very high97.9Very high10 Ų1022 Ų228%0.08312%0.119CC..EExtended strand (participates in β ladder)trans-155.4157.8176.800000110.9P103 V104 S130 W357 I358P103-A132 CarbonylContact C-O 3.55Å; P103-A132 VanDerWaalsContact CA-O 3.27Å; P103-A132 WeakPolarHBondContact CA-O 3.18Å; P103-A132 HydrophobicContact CB-CB 4.13Å; P103-A132 HydrophobicContact CG-CB 4.46Å; V104-A132 PolarHBondContact N-O 3.35Å; S130-A132 VanDerWaalsContact C-N 3.27Å; S130-A132 PolarHBondContact O-N 3.36Å; A132-W357 HydrophobicContact CB-CB 4.1Å; A132-W357 HydrophobicContact CB-CG 4.43Å; A132-I358 CarbonylContact C-O 3.48Å; A132-I358 WeakPolarHBondContact CA-O 3.27Å; A132-I358 WeakPolarHBondContact CB-O 3.19Å
133M98Very high97.8Very high0 Ų019.3 Ų19.30%011%0.106CC..EExtended strand (participates in β ladder)trans-150.6164.3174.467.7167.4-74.900113.5V104 L106 T121 M124 F125 V135 I358V104-M133 CarbonylContact O-C 3.54Å; V104-M133 WeakPolarHBondContact O-CA 3.07Å; V104-M133 VanDerWaalsContact O-CB 3.31Å; V104-M133 WeakPolarHBondContact O-CB 3.28Å; L106-M133 HydrophobicContact CD1-CE 4.24Å; T121-M133 VanDerWaalsContact CA-SD 3.52Å; T121-M133 HydrophobicContact CG2-SD 3.88Å; M124-M133 HydrophobicContact CB-SD 3.6Å; M124-M133 HydrophobicContact CG-CE 4.37Å; M124-M133 HydrophobicContact CG-SD 4.03Å; F125-M133 HydrophobicContact CD2-CG 4.35Å; F125-M133 HydrophobicContact CD2-SD 4.03Å; F125-M133 HydrophobicContact CE2-CG 3.52Å; F125-M133 HydrophobicContact CE2-SD 3.71Å; F125-M133 HydrophobicContact CZ-CG 3.64Å; F125-M133 HydrophobicContact CZ-SD 4.37Å; M133-V135 HydrophobicContact CE-CG2 3.6Å; M133-I358 HydrophobicContact CG-CB 4.48Å; M133-I358 PolarHBondContact N-O 3.4Å; M133-I358 WeakPolarHBondContact O-CB 3.49Å; M133-I358 PolarHBondContact O-N 2.84Å
134Y98.2Very high97.6Very high21 Ų2122.4 Ų22.48%0.08212%0.118CC..EExtended strand (participates in β ladder)trans-147147.8172.5-167.4-93.5000110V104 L105 L106 A136 F353 M356 C375V104-Y134 PolarHBondContact O-N 3.23Å; L105-Y134 WeakPolarHBondContact CA-O 3.39Å; L106-Y134 PolarHBondContact N-O 3.39Å; Y134-A136 HydrophobicContact CD1-CB 4.06Å; Y134-A136 HydrophobicContact CE1-CB 3.95Å; Y134-F353 HydrophobicContact CD1-CE2 4.26Å; Y134-F353 AromaticContact CD1-CZ 3.61Å; Y134-F353 HydrophobicContact CD1-CZ 3.61Å; Y134-F353 HydrophobicContact CD2-CE2 4.43Å; Y134-F353 AromaticContact CD2-CZ 3.91Å; Y134-F353 HydrophobicContact CD2-CZ 3.91Å; Y134-F353 HydrophobicContact CE1-CE2 4.19Å; Y134-F353 HydrophobicContact CE1-CZ 4Å; Y134-F353 HydrophobicContact CE2-CE2 4.36Å; Y134-F353 HydrophobicContact CE2-CZ 4.28Å; Y134-F353 HydrophobicContact CG-CE1 4.36Å; Y134-F353 HydrophobicContact CG-CE2 4.38Å; Y134-F353 AromaticContact CG-CZ 3.56Å; Y134-F353 HydrophobicContact CG-CZ 3.56Å; Y134-M356 HydrophobicContact CD2-CB 4.38Å; Y134-M356 WeakPolarHBondContact CD2-O 3.27Å; Y134-M356 HydrophobicContact CE2-CB 4.09Å; Y134-M356 HydrophobicContact CE2-CE 4.25Å; Y134-C375 WeakPolarHBondContact CD2-SG 3.33Å; Y134-C375 HydrophobicContact CE2-CB 4.19Å; Y134-C375 WeakPolarHBondContact CE2-SG 3.45Å
135V98Very high97.5Very high2 Ų223.3 Ų23.31%0.01213%0.126CC..EExtended strand (participates in β ladder)trans-114.4124.9174.3-179.80000108.7L106 E108 M120 M133 V371 C375L106-V135 CarbonylContact O-C 3.59Å; L106-V135 VanDerWaalsContact O-CA 3.32Å; L106-V135 WeakPolarHBondContact O-CA 3.37Å; E108-V135 HydrophobicContact CB-CG1 3.94Å; E108-V135 HydrophobicContact CG-CG1 3.61Å; E108-V135 WeakPolarHBondContact OE2-CG1 3.37Å; M120-V135 HydrophobicContact CE-CG1 3.64Å; M120-V135 HydrophobicContact CE-CG2 4.03Å; M133-V135 HydrophobicContact CE-CG2 3.6Å; V135-V371 HydrophobicContact CB-CG2 4.28Å; V135-V371 HydrophobicContact CG2-CG2 3.99Å; V135-C375 HydrophobicContact CB-CB 4.46Å; V135-C375 PolarHBondContact N-SG 3.17Å; V135-C375 VanDerWaalsContact N-SG 3.4Å; V135-C375 VanDerWaalsContact O-CB 3.31Å; V135-C375 WeakPolarHBondContact O-CB 3.36Å
136A97Very high97.3Very high8 Ų824.3 Ų24.37%0.06613%0.133CC..EExtended strand (participates in β ladder)trans-125143.3-178.600000112.4L105 L106 T107 E108 Y134 Q138 L141L105-A136 HydrophobicContact CD2-CB 4.26Å; L106-A136 PolarHBondContact O-N 3.34Å; T107-A136 CarbonylContact C-O 3.56Å; T107-A136 VanDerWaalsContact CA-O 3.27Å; T107-A136 WeakPolarHBondContact CA-O 3.41Å; E108-A136 PolarHBondContact N-O 3.04Å; Y134-A136 HydrophobicContact CD1-CB 4.06Å; Y134-A136 HydrophobicContact CE1-CB 3.95Å; A136-Q138 PolarHBondContact O-N 3.43Å; A136-L141 HydrophobicContact CB-CD1 3.87Å; A136-L141 HydrophobicContact CB-CD2 3.84Å; A136-L141 HydrophobicContact CB-CG 3.95Å
137I96.5Very high97.1Very high17 Ų1722.8 Ų22.89%0.08715%0.145CC..EExtended strand (participates in β ladder)trans-70125.9177.9-60.3172.6000109.5E108 P110 A139 V140 L141 A171E108-I137 WeakPolarHBondContact O-CA 3.46Å; P110-I137 HydrophobicContact CB-CG2 4.41Å; P110-I137 HydrophobicContact CG-CG2 3.96Å; I137-A139 VanDerWaalsContact C-N 3.29Å; I137-A139 HydrophobicContact CG2-CB 4.37Å; I137-A139 PolarHBondContact O-N 2.95Å; I137-V140 HydrophobicContact CB-CB 4.37Å; I137-V140 HydrophobicContact CB-CG2 3.95Å; I137-V140 HydrophobicContact CG2-CG2 4.21Å; I137-V140 PolarHBondContact O-N 3.14Å; I137-L141 PolarHBondContact O-N 3.01Å; I137-A171 HydrophobicContact CD1-CB 4.32Å
138Q97.4Very high97Very high13 Ų1322.1 Ų22.16%0.06114%0.135CC..Hα-helixtrans-50.9-46.4-177-73.4174.9-34.100112.9D12 N13 T107 E108 A136 V140 L141 S142 V340D12-Q138 PolarHBondContact OD1-NE2 2.81Å; N13-Q138 PolarHBondContact O-NE2 2.83Å; T107-Q138 PolarHBondContact OG1-NE2 3.09Å; E108-Q138 WeakPolarHBondContact O-CG 3.34Å; E108-Q138 PolarHBondContact O-N 2.78Å; A136-Q138 PolarHBondContact O-N 3.43Å; Q138-V140 PolarHBondContact O-N 3.18Å; Q138-L141 PolarHBondContact O-N 3.13Å; Q138-S142 PolarHBondContact O-N 3Å; Q138-S142 PolarHBondContact O-OG 3.5Å; Q138-V340 HydrophobicContact CB-CG1 3.91Å; Q138-V340 HydrophobicContact CB-CG2 3.95Å; Q138-V340 HydrophobicContact CG-CG1 3.75Å; Q138-V340 HydrophobicContact CG-CG2 4.44Å
139A97Very high96.8Very high1 Ų125.8 Ų25.81%0.00816%0.158CC..Hα-helixtrans-64.6-36.6-179.600000113.4I137 S142 L143 V153 V164I137-A139 VanDerWaalsContact C-N 3.29Å; I137-A139 HydrophobicContact CG2-CB 4.37Å; I137-A139 PolarHBondContact O-N 2.95Å; A139-S142 PolarHBondContact O-N 3.31Å; A139-L143 PolarHBondContact O-N 3.23Å; A139-V153 HydrophobicContact CB-CB 4.09Å; A139-V153 HydrophobicContact CB-CG1 4.07Å; A139-V153 WeakPolarHBondContact O-CG2 3.46Å; A139-V164 HydrophobicContact CB-CB 3.56Å; A139-V164 HydrophobicContact CB-CG1 3.97Å; A139-V164 HydrophobicContact CB-CG2 3.46Å; A139-V164 VanDerWaalsContact CB-CG2 3.46Å
140V96.9Very high96.8Very high17 Ų1723.2 Ų23.210%0.10315%0.145CC..Hα-helixtrans-65-43.7177.5178.50000110.1I137 Q138 S142 L143 Y144 I166 A171I137-V140 HydrophobicContact CB-CB 4.37Å; I137-V140 HydrophobicContact CB-CG2 3.95Å; I137-V140 HydrophobicContact CG2-CG2 4.21Å; I137-V140 PolarHBondContact O-N 3.14Å; Q138-V140 PolarHBondContact O-N 3.18Å; V140-S142 PolarHBondContact O-N 3.23Å; V140-L143 WeakPolarHBondContact O-CB 3.38Å; V140-L143 PolarHBondContact O-N 3.3Å; V140-Y144 HydrophobicContact CG1-CD2 4.48Å; V140-Y144 HydrophobicContact CG1-CE1 4.22Å; V140-Y144 HydrophobicContact CG1-CE2 3.94Å; V140-Y144 PolarHBondContact O-N 2.9Å; V140-Y144 VanDerWaalsContact O-N 3.11Å; V140-I166 HydrophobicContact CB-CD1 4.45Å; V140-I166 HydrophobicContact CG2-CD1 4.05Å; V140-I166 HydrophobicContact CG2-CG1 4.19Å; V140-A171 HydrophobicContact CG2-CB 4.06Å
141L97.6Very high96.8Very high1 Ų123.2 Ų23.21%0.00515%0.145CC..Hα-helixtrans-61.8-44.4174.9-59.7-179.4000111.7L105 T107 A136 I137 Q138 L143 Y144 A145 V340 G343 L347L105-L141 HydrophobicContact CD2-CD1 4.11Å; T107-L141 HydrophobicContact CG2-CD1 3.63Å; A136-L141 HydrophobicContact CB-CD1 3.87Å; A136-L141 HydrophobicContact CB-CD2 3.84Å; A136-L141 HydrophobicContact CB-CG 3.95Å; I137-L141 PolarHBondContact O-N 3.01Å; Q138-L141 PolarHBondContact O-N 3.13Å; L141-L143 PolarHBondContact O-N 3.29Å; L141-Y144 WeakPolarHBondContact O-CB 3.33Å; L141-Y144 PolarHBondContact O-N 3.14Å; L141-Y144 VanDerWaalsContact O-N 3.08Å; L141-A145 PolarHBondContact O-N 3.06Å; L141-V340 WeakPolarHBondContact CB-O 3.42Å; L141-V340 HydrophobicContact CD1-CG1 4.33Å; L141-G343 VanDerWaalsContact O-CA 3.26Å; L141-G343 WeakPolarHBondContact O-CA 3.49Å; L141-L347 HydrophobicContact CD2-CB 4.32Å; L141-L347 HydrophobicContact CD2-CD2 3.62Å
142S97.6Very high96.8Very high0 Ų020.8 Ų20.80%013%0.13CC..Hα-helixtrans-59.5-34.8176.6-70.40000113.3Q138 A139 V140 S301 V340Q138-S142 PolarHBondContact O-N 3Å; Q138-S142 PolarHBondContact O-OG 3.5Å; A139-S142 PolarHBondContact O-N 3.31Å; V140-S142 PolarHBondContact O-N 3.23Å; S142-S301 WeakPolarHBondContact CB-OG 3.44Å; S142-S301 PolarHBondContact OG-OG 3.18Å; S142-V340 WeakPolarHBondContact OG-CG2 3.13Å; S142-V340 PolarHBondContact OG-N 2.94Å
143L97.2Very high96.9Very high0 Ų020.3 Ų20.30%013%0.126CC..Hα-helixtrans-66.7-44.2174.2-170.466.5000111.3A139 V140 L141 A145 S146 R148 V153 I166 V299A139-L143 PolarHBondContact O-N 3.23Å; V140-L143 WeakPolarHBondContact O-CB 3.38Å; V140-L143 PolarHBondContact O-N 3.3Å; L141-L143 PolarHBondContact O-N 3.29Å; L143-A145 VanDerWaalsContact C-N 3.34Å; L143-A145 PolarHBondContact O-N 3.17Å; L143-S146 WeakPolarHBondContact O-CB 3.37Å; L143-S146 PolarHBondContact O-N 3.05Å; L143-S146 PolarHBondContact O-OG 2.94Å; L143-R148 HydrophobicContact CD1-CB 3.69Å; L143-R148 HydrophobicContact CG-CB 3.88Å; L143-R148 WeakPolarHBondContact CG-O 3.44Å; L143-R148 PolarHBondContact O-N 2.74Å; L143-V153 HydrophobicContact CB-CG2 3.82Å; L143-V153 HydrophobicContact CD1-CG2 4.11Å; L143-V153 HydrophobicContact CG-CG2 4.49Å; L143-I166 HydrophobicContact CB-CD1 3.93Å; L143-I166 HydrophobicContact CD2-CB 3.65Å; L143-I166 HydrophobicContact CD2-CD1 3.76Å; L143-I166 HydrophobicContact CD2-CG1 4.33Å; L143-I166 HydrophobicContact CD2-CG2 3.59Å; L143-I166 HydrophobicContact CG-CD1 4.44Å; L143-V299 HydrophobicContact CD1-CB 4.43Å; L143-V299 HydrophobicContact CD1-CG2 3.71Å
144Y94.5Very high96.9Very high68 Ų6820.4 Ų20.427%0.26713%0.126SC..Hα-helixtrans-61-39.6176.5-68.6-12.6000112.7V140 L141 S146 G147 R148 L347V140-Y144 HydrophobicContact CG1-CD2 4.48Å; V140-Y144 HydrophobicContact CG1-CE1 4.22Å; V140-Y144 HydrophobicContact CG1-CE2 3.94Å; V140-Y144 PolarHBondContact O-N 2.9Å; V140-Y144 VanDerWaalsContact O-N 3.11Å; L141-Y144 WeakPolarHBondContact O-CB 3.33Å; L141-Y144 PolarHBondContact O-N 3.14Å; L141-Y144 VanDerWaalsContact O-N 3.08Å; Y144-S146 PolarHBondContact O-N 2.84Å; Y144-S146 VanDerWaalsContact O-N 3.14Å; Y144-G147 WeakPolarHBondContact O-CA 3.43Å; Y144-G147 PolarHBondContact O-N 3.28Å; Y144-R148 WeakPolarHBondContact CD1-O 3.23Å; Y144-L347 HydrophobicContact CD2-CD1 4.45Å; Y144-L347 HydrophobicContact CE2-CD1 4.12Å; Y144-L347 HydrophobicContact CE2-CD2 4.42Å
145A96.2Very high96.9Very high19 Ų1919.9 Ų19.916%0.15712%0.124CC..Hα-helixtrans-57.5-28.4174.100000112.7L141 L143 G147 S339 I342L141-A145 PolarHBondContact O-N 3.06Å; L143-A145 VanDerWaalsContact C-N 3.34Å; L143-A145 PolarHBondContact O-N 3.17Å; A145-G147 VanDerWaalsContact C-N 3.3Å; A145-S339 WeakPolarHBondContact CB-O 3.39Å; A145-I342 HydrophobicContact CB-CB 4.08Å; A145-I342 HydrophobicContact CB-CG2 3.89Å
146S94.9Very high96.9Very high23 Ų2319.8 Ų19.816%0.16112%0.124CC..THydrogen-bonded Turntrans-85.20.6176.185.90000114.1L143 Y144 R148L143-S146 WeakPolarHBondContact O-CB 3.37Å; L143-S146 PolarHBondContact O-N 3.05Å; L143-S146 PolarHBondContact O-OG 2.94Å; Y144-S146 PolarHBondContact O-N 2.84Å; Y144-S146 VanDerWaalsContact O-N 3.14Å; S146-R148 PolarHBondContact O-NH1 2.83Å; S146-R148 WeakPolarHBondContact OG-CD 3.42Å; S146-R148 PolarHBondContact OG-NH1 3.03Å; S146-R148 VanDerWaalsContact OG-NH1 3.16Å
147G94.1Very high96.9Very high74 Ų7420.4 Ų20.476%0.76313%0.132SC*.THydrogen-bonded Turntrans72.730.1-176.900000113.9Y144 A145Y144-G147 WeakPolarHBondContact O-CA 3.43Å; Y144-G147 PolarHBondContact O-N 3.28Å; A145-G147 VanDerWaalsContact C-N 3.3Å
148R95.2Very high96.9Very high57 Ų5721.4 Ų21.422%0.21514%0.137CC..  trans-122.6150-177.5-69.1174.1179.465.217.4111.2L143 Y144 S146 N297L143-R148 HydrophobicContact CD1-CB 3.69Å; L143-R148 HydrophobicContact CG-CB 3.88Å; L143-R148 WeakPolarHBondContact CG-O 3.44Å; L143-R148 PolarHBondContact O-N 2.74Å; Y144-R148 WeakPolarHBondContact CD1-O 3.23Å; S146-R148 PolarHBondContact O-NH1 2.83Å; S146-R148 WeakPolarHBondContact OG-CD 3.42Å; S146-R148 PolarHBondContact OG-NH1 3.03Å; S146-R148 VanDerWaalsContact OG-NH1 3.16Å; R148-N297 WeakPolarHBondContact CD-OD1 3.46Å; R148-N297 PolarHBondContact NE-OD1 3.2Å
149T94.9Very high96.9Very high83 Ų8320.9 Ų20.951%0.50914%0.135SC..SBendtrans-113.1-17.3171.753.40000112.6E168 G169T149-E168 PolarHBondContact O-N 3.11Å; T149-G169 PolarHBondContact O-N 2.72Å
150T97.8Very high96.9Very high23 Ų2321.1 Ų21.114%0.14114%0.137CC..SBendtrans-127.4134.1176.5-61.80000109.9I166 Y167 E168 D293T150-I166 WeakPolarHBondContact CA-O 3.32Å; T150-Y167 HydrophobicContact CG2-CD2 3.63Å; T150-Y167 HydrophobicContact CG2-CE2 4.17Å; T150-E168 PolarHBondContact OG1-N 2.95Å; T150-D293 HydrophobicContact CG2-CB 3.82Å
151G98.3Very high96.9Very high0 Ų020.5 Ų20.50%013%0.133CC..EExtended strand (participates in β ladder)trans160.5179.7-179.600000111.6I166 L294 N297G151-I166 PolarHBondContact N-O 2.7Å; G151-I166 PolarHBondContact O-N 3.15Å; G151-L294 VanDerWaalsContact C-CD2 3.5Å; G151-L294 WeakPolarHBondContact O-CD2 3.46Å; G151-N297 VanDerWaalsContact CA-O 3.3Å; G151-N297 WeakPolarHBondContact CA-O 3.33Å
152I98.7Very high96.9Very high0 Ų020.6 Ų20.60%013%0.133CC..EExtended strand (participates in β ladder)trans-117.1132.4171.6-176.5168.9000109.2V164 P165 T279 S282 I283 L294 N297 I298 V299I152-V164 WeakPolarHBondContact CA-O 3.19Å; I152-P165 HydrophobicContact CB-CB 4.48Å; I152-P165 HydrophobicContact CD1-CB 4.33Å; I152-P165 HydrophobicContact CG1-CB 4.32Å; I152-T279 HydrophobicContact CD1-CG2 4.04Å; I152-T279 HydrophobicContact CG2-CG2 4.37Å; I152-S282 WeakPolarHBondContact CD1-OG 3.28Å; I152-I283 HydrophobicContact CD1-CD1 4.42Å; I152-I283 HydrophobicContact CD1-CG1 3.68Å; I152-I283 HydrophobicContact CG2-CD1 4.03Å; I152-I283 HydrophobicContact CG2-CG1 4.16Å; I152-L294 HydrophobicContact CB-CD2 4.48Å; I152-L294 HydrophobicContact CG2-CB 4.48Å; I152-N297 PolarHBondContact N-O 2.85Å; I152-I298 HydrophobicContact CG2-CB 4.15Å; I152-I298 HydrophobicContact CG2-CG1 3.67Å; I152-I298 HydrophobicContact CG2-CG2 4.26Å; I152-I298 CarbonylContact O-C 3.6Å; I152-I298 WeakPolarHBondContact O-CA 3.44Å; I152-V299 PolarHBondContact O-N 2.91Å
153V98.6Very high97Very high0 Ų020.7 Ų20.70%013%0.134CC..EExtended strand (participates in β ladder)trans-101.7123.5178177.40000109A139 L143 D155 T163 V164 I166 V299A139-V153 HydrophobicContact CB-CB 4.09Å; A139-V153 HydrophobicContact CB-CG1 4.07Å; A139-V153 WeakPolarHBondContact O-CG2 3.46Å; L143-V153 HydrophobicContact CB-CG2 3.82Å; L143-V153 HydrophobicContact CD1-CG2 4.11Å; L143-V153 HydrophobicContact CG-CG2 4.49Å; V153-D155 HydrophobicContact CG1-CB 4.11Å; V153-T163 CarbonylContact O-C 3.19Å; V153-T163 VanDerWaalsContact O-CA 3.3Å; V153-T163 WeakPolarHBondContact O-CA 3.34Å; V153-V164 PolarHBondContact N-O 3.47Å; V153-V164 PolarHBondContact O-N 2.91Å; V153-I166 HydrophobicContact CG2-CD1 3.95Å; V153-V299 WeakPolarHBondContact CA-O 3.02Å; V153-V299 HydrophobicContact CG2-CB 4.25Å
154L98.6Very high97Very high1 Ų120.7 Ų20.71%0.00513%0.134CC..EExtended strand (participates in β ladder)trans-9499.5161.4170.960.5000107.3H162 T163 I275 V299 L300 S301 M314L154-H162 WeakPolarHBondContact CA-O 3.32Å; L154-T163 HydrophobicContact CD1-CG2 3.83Å; L154-I275 HydrophobicContact CD1-CB 4.1Å; L154-I275 HydrophobicContact CD1-CG2 4.21Å; L154-I275 HydrophobicContact CD2-CB 4.03Å; L154-I275 HydrophobicContact CD2-CD1 3.85Å; L154-I275 HydrophobicContact CD2-CG1 4.38Å; L154-V299 PolarHBondContact N-O 3.09Å; L154-L300 HydrophobicContact CB-CD2 4.02Å; L154-L300 HydrophobicContact CD2-CD2 3.88Å; L154-L300 HydrophobicContact CG-CD2 4.3Å; L154-S301 PolarHBondContact O-N 3.49Å; L154-M314 HydrophobicContact CD2-CE 3.63Å; L154-M314 HydrophobicContact CD2-SD 4.17Å
155D98Very high97.2Very high10 Ų1017.4 Ų17.45%0.05312%0.121CC..EExtended strand (participates in β ladder)trans-98.5121.1175.2-175.760.1000109.6V153 S161 H162 S301 G302V153-D155 HydrophobicContact CG1-CB 4.11Å; D155-S161 CarbonylContact O-C 3.59Å; D155-S161 VanDerWaalsContact O-CA 3.23Å; D155-S161 WeakPolarHBondContact O-CA 3.39Å; D155-H162 PolarHBondContact N-O 3.46Å; D155-H162 PolarHBondContact O-N 2.79Å; D155-S301 WeakPolarHBondContact CA-O 3.43Å; D155-S301 VanDerWaalsContact OD1-CB 3.25Å; D155-S301 WeakPolarHBondContact OD1-CB 3.43Å; D155-S301 PolarHBondContact OD1-OG 2.81Å; D155-G302 PolarHBondContact OD1-N 2.89Å
156S98.2Very high97.3Very high0 Ų016.5 Ų16.50%011%0.114CC..EExtended strand (participates in β ladder)trans-130104.6178.5-169.80000110.6S161 M262 S301 G302 G303 S304S156-S161 WeakPolarHBondContact CB-OG 3.4Å; S156-S161 PolarHBondContact OG-OG 3.2Å; S156-M262 VanDerWaalsContact OG-CE 3.31Å; S156-M262 WeakPolarHBondContact OG-CE 3.25Å; S156-S301 PolarHBondContact N-O 2.84Å; S156-G302 CarbonylContact O-C 3.54Å; S156-G302 WeakPolarHBondContact O-CA 3.47Å; S156-G303 PolarHBondContact O-N 2.64Å; S156-S304 WeakPolarHBondContact O-CB 3.46Å; S156-S304 PolarHBondContact O-N 3.38Å; S156-S304 VanDerWaalsContact OG-CB 3.32Å; S156-S304 WeakPolarHBondContact OG-CB 3.45Å
157G97.4Very high97.5Very high22 Ų2219 Ų1923%0.22712%0.12CC..  trans-91.8-149.3-176.400000113.5V160 A182 G183 S304G157-V160 PolarHBondContact N-O 3.41Å; G157-A182 WeakPolarHBondContact O-CB 3.45Å; G157-G183 PolarHBondContact O-N 3.49Å; G157-G183 VanDerWaalsContact O-N 3.12Å; G157-S304 PolarHBondContact O-OG 2.92Å
158D96.9Very high97.5Very high37 Ų3721.2 Ų21.220%0.19811%0.11CC..SBendtrans-84.2-38.6171.8-176.660.4000112.1G16 A182 G183 R184G16-D158 WeakPolarHBondContact CA-OD2 3.22Å; D158-A182 WeakPolarHBondContact O-CB 3.42Å; D158-G183 PolarHBondContact O-N 3.35Å; D158-G183 VanDerWaalsContact O-N 3.14Å; D158-R184 VanDerWaalsContact O-CB 3.23Å; D158-R184 WeakPolarHBondContact O-CB 3.5Å; D158-R184 PolarHBondContact O-N 2.94Å; D158-R184 PolarHBondContact OD1-N 2.9Å; D158-R184 IonicContact OD2-CZ 3.23Å; D158-R184 IonicContact OD2-NE 2.87Å; D158-R184 PolarHBondContact OD2-NE 3Å; D158-R184 IonicContact OD2-NH2 3.5Å; D158-R184 PolarHBondContact OD2-NH2 3.06Å
159G96.1Very high97.4Very high2 Ų219.1 Ų19.12%0.02111%0.106CC..SBendtrans-106.7-18-172.800000115.9H74 A182H74-G159 WeakPolarHBondContact CA-O 3.37Å; H74-G159 PolarHBondContact CD2-O 3.4Å; G159-A182 VanDerWaalsContact C-CB 3.49Å
160V97Very high97.3Very high7 Ų723 Ų234%0.04211%0.113CC..  trans-158.9153-173.959.30000111H74 G157 H162 R178 L179H74-V160 HydrophobicContact CB-CB 4.19Å; G157-V160 PolarHBondContact N-O 3.41Å; V160-H162 WeakPolarHBondContact CG1-CE1 3.08Å; V160-H162 VanDerWaalsContact CG2-CE1 3.42Å; V160-H162 WeakPolarHBondContact CG2-CE1 3.31Å; V160-H162 WeakPolarHBondContact CG2-NE2 3.4Å; V160-R178 HydrophobicContact CG2-CG 3.83Å; V160-L179 WeakPolarHBondContact CG2-O 3.44Å
161S98.2Very high97.3Very high4 Ų422.8 Ų22.83%0.02811%0.114CC..EExtended strand (participates in β ladder)trans-117140169.6-58.50000110.9D155 S156 L179 L181D155-S161 CarbonylContact O-C 3.59Å; D155-S161 VanDerWaalsContact O-CA 3.23Å; D155-S161 WeakPolarHBondContact O-CA 3.39Å; S156-S161 WeakPolarHBondContact CB-OG 3.4Å; S156-S161 PolarHBondContact OG-OG 3.2Å; S161-L179 PolarHBondContact N-O 3.41Å; S161-L179 PolarHBondContact O-N 2.89Å; S161-L181 WeakPolarHBondContact CB-O 3.44Å; S161-L181 PolarHBondContact OG-O 3.43Å
162H97.7Very high97.2Very high2 Ų224.4 Ų24.41%0.00912%0.122CC..EExtended strand (participates in β ladder)trans-131.8144.6178.4-57.1101.4000111.1P110 L154 D155 V160 V164 L177P110-H162 HydrophobicContact CG-CB 4.12Å; L154-H162 WeakPolarHBondContact CA-O 3.32Å; D155-H162 PolarHBondContact N-O 3.46Å; D155-H162 PolarHBondContact O-N 2.79Å; V160-H162 WeakPolarHBondContact CG1-CE1 3.08Å; V160-H162 VanDerWaalsContact CG2-CE1 3.42Å; V160-H162 WeakPolarHBondContact CG2-CE1 3.31Å; V160-H162 WeakPolarHBondContact CG2-NE2 3.4Å; H162-V164 HydrophobicContact CB-CG2 4.05Å; H162-L177 WeakPolarHBondContact CA-O 3.49Å
163T98.5Very high97Very high2 Ų228.4 Ų28.41%0.01215%0.148CC..EExtended strand (participates in β ladder)trans-114.8115.1165.362.50000108.5V153 L154 I176 L177 T278 T279 S282V153-T163 CarbonylContact O-C 3.19Å; V153-T163 VanDerWaalsContact O-CA 3.3Å; V153-T163 WeakPolarHBondContact O-CA 3.34Å; L154-T163 HydrophobicContact CD1-CG2 3.83Å; T163-I176 WeakPolarHBondContact O-CA 3.39Å; T163-L177 PolarHBondContact N-O 3.16Å; T163-L177 PolarHBondContact O-N 3.27Å; T163-L177 VanDerWaalsContact O-N 3.09Å; T163-L177 WeakPolarHBondContact OG1-CB 3.46Å; T163-T278 HydrophobicContact CG2-CG2 3.86Å; T163-T279 WeakPolarHBondContact CG2-OG1 3.49Å; T163-S282 WeakPolarHBondContact OG1-CB 3.48Å
164V98.4Very high96.9Very high0 Ų033.8 Ų33.80%017%0.173CC..EExtended strand (participates in β ladder)trans-122.9105.2-172.4-1730000109P110 A139 I152 V153 H162 I166 A171 I176P110-V164 HydrophobicContact CB-CG2 4.14Å; P110-V164 HydrophobicContact CG-CG2 3.45Å; P110-V164 VanDerWaalsContact CG-CG2 3.45Å; A139-V164 HydrophobicContact CB-CB 3.56Å; A139-V164 HydrophobicContact CB-CG1 3.97Å; A139-V164 HydrophobicContact CB-CG2 3.46Å; A139-V164 VanDerWaalsContact CB-CG2 3.46Å; I152-V164 WeakPolarHBondContact CA-O 3.19Å; V153-V164 PolarHBondContact N-O 3.47Å; V153-V164 PolarHBondContact O-N 2.91Å; H162-V164 HydrophobicContact CB-CG2 4.05Å; V164-I166 HydrophobicContact CG1-CD1 4.33Å; V164-I166 HydrophobicContact CG1-CG1 3.99Å; 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 4.25Å
165P98.5Very high96.9Very high0 Ų033.7 Ų33.70%017%0.173CC..EExtended strand (participates in β ladder)trans-78132.3172.527.5-23.5000109.2I152 L172 A175 S282 C286 L294I152-P165 HydrophobicContact CB-CB 4.48Å; I152-P165 HydrophobicContact CD1-CB 4.33Å; I152-P165 HydrophobicContact CG1-CB 4.32Å; P165-L172 HydrophobicContact CB-CD1 4.31Å; P165-L172 HydrophobicContact CG-CB 4.21Å; P165-L172 PolarHBondContact O-N 2.73Å; P165-A175 HydrophobicContact CG-CB 3.52Å; P165-S282 WeakPolarHBondContact CD-OG 3.28Å; P165-S282 WeakPolarHBondContact CG-OG 3.46Å; P165-C286 VanDerWaalsContact CB-SG 3.58Å; P165-L294 HydrophobicContact CB-CD1 4.06Å; P165-L294 HydrophobicContact CB-CD2 4.26Å
166I98.3Very high96.9Very high0 Ų034.3 Ų34.30%018%0.176CC..EExtended strand (participates in β ladder)trans-129.7131.6-174.7-60.1153.8000107.5V140 L143 T150 G151 V153 V164 Y170 A171V140-I166 HydrophobicContact CB-CD1 4.45Å; V140-I166 HydrophobicContact CG2-CD1 4.05Å; V140-I166 HydrophobicContact CG2-CG1 4.19Å; L143-I166 HydrophobicContact CB-CD1 3.93Å; L143-I166 HydrophobicContact CD2-CB 3.65Å; L143-I166 HydrophobicContact CD2-CD1 3.76Å; L143-I166 HydrophobicContact CD2-CG1 4.33Å; L143-I166 HydrophobicContact CD2-CG2 3.59Å; L143-I166 HydrophobicContact CG-CD1 4.44Å; T150-I166 WeakPolarHBondContact CA-O 3.32Å; G151-I166 PolarHBondContact N-O 2.7Å; G151-I166 PolarHBondContact O-N 3.15Å; V153-I166 HydrophobicContact CG2-CD1 3.95Å; V164-I166 HydrophobicContact CG1-CD1 4.33Å; V164-I166 HydrophobicContact CG1-CG1 3.99Å; I166-Y170 CarbonylContact C-O 3.55Å; I166-Y170 VanDerWaalsContact CA-O 3.3Å; I166-Y170 WeakPolarHBondContact CA-O 3.35Å; I166-A171 HydrophobicContact CG1-CB 4.36Å
167Y97.4Very high96.9Very high75 Ų7536 Ų3629%0.29418%0.184SC..EExtended strand (participates in β ladder)trans-129.9123.8179.2-175.6-93.7000109.3T150 G169 Y170 I290T150-Y167 HydrophobicContact CG2-CD2 3.63Å; T150-Y167 HydrophobicContact CG2-CE2 4.17Å; Y167-G169 PolarHBondContact O-N 2.78Å; Y167-G169 VanDerWaalsContact O-N 3.11Å; Y167-Y170 PolarHBondContact N-O 3.14Å; Y167-Y170 PolarHBondContact O-N 3.13Å; Y167-I290 HydrophobicContact CD2-CB 3.98Å; Y167-I290 HydrophobicContact CD2-CD1 4.38Å; Y167-I290 HydrophobicContact CD2-CG2 3.6Å; Y167-I290 HydrophobicContact CE2-CB 4.17Å; Y167-I290 HydrophobicContact CE2-CG2 3.48Å; Y167-I290 VanDerWaalsContact CE2-CG2 3.48Å; Y167-I290 HydrophobicContact CG-CG2 4.32Å
168E94.9Very high96.8Very high120 Ų12039.6 Ų39.656%0.56119%0.191SC*.THydrogen-bonded Turntrans50.836-178.8-66.6179-176.100113.6T149 T150 Y170T149-E168 PolarHBondContact O-N 3.11Å; T150-E168 PolarHBondContact OG1-N 2.95Å; E168-Y170 WeakPolarHBondContact O-CD2 3.5Å
169G92.7Very high96.8Very high13 Ų1338.6 Ų38.613%0.13419%0.186CC..THydrogen-bonded Turntrans88.2-6.9-179.700000115.3T149 Y167T149-G169 PolarHBondContact O-N 2.72Å; Y167-G169 PolarHBondContact O-N 2.78Å; Y167-G169 VanDerWaalsContact O-N 3.11Å
170Y93.8Very high96.7Very high164 Ų16441.4 Ų41.464%0.64320%0.2SC*.EExtended strand (participates in β ladder)trans-100.7124.7179.3-61.3-83.3000111.4I166 Y167 E168I166-Y170 CarbonylContact C-O 3.55Å; I166-Y170 VanDerWaalsContact CA-O 3.3Å; I166-Y170 WeakPolarHBondContact CA-O 3.35Å; Y167-Y170 PolarHBondContact N-O 3.14Å; Y167-Y170 PolarHBondContact O-N 3.13Å; E168-Y170 WeakPolarHBondContact O-CD2 3.5Å
171A96.3Very high96.7Very high19 Ų1941.1 Ų41.116%0.15720%0.198CC..EExtended strand (participates in β ladder)trans-66.9139.8169.300000109.9I137 V140 V164 I166 P173 I176I137-A171 HydrophobicContact CD1-CB 4.32Å; V140-A171 HydrophobicContact CG2-CB 4.06Å; V164-A171 HydrophobicContact CG1-CB 3.9Å; I166-A171 HydrophobicContact CG1-CB 4.36Å; A171-P173 WeakPolarHBondContact O-CD 3.26Å; A171-I176 HydrophobicContact CB-CD1 4.43Å
172L96.9Very high96.7Very high34 Ų3440.9 Ų40.918%0.17820%0.197CC..  trans-96.295.7-179.6-58.1175.4000110.3P165 H174 A175 I176 I290P165-L172 HydrophobicContact CB-CD1 4.31Å; P165-L172 HydrophobicContact CG-CB 4.21Å; P165-L172 PolarHBondContact O-N 2.73Å; L172-H174 VanDerWaalsContact C-N 3.32Å; L172-H174 PolarHBondContact O-N 3.12Å; L172-A175 HydrophobicContact CB-CB 4.48Å; L172-A175 PolarHBondContact O-N 3.14Å; L172-I176 WeakPolarHBondContact O-CG1 3.37Å; L172-I176 PolarHBondContact O-N 3.24Å; L172-I290 HydrophobicContact CD1-CD1 3.43Å; L172-I290 VanDerWaalsContact CD1-CD1 3.43Å
173P95.8Very high96.7Very high84 Ų8440.9 Ų40.955%0.54520%0.197SC..G310 helixtrans-65.4-32.7-162.3-23.437.1000114A171 A175 I176A171-P173 WeakPolarHBondContact O-CD 3.26Å; P173-A175 PolarHBondContact O-N 2.84Å; P173-I176 PolarHBondContact O-N 3.36Å
174H96.5Very high96.6Very high113 Ų11342.6 Ų42.652%0.52320%0.204SC..G310 helixtrans-66.2-2017964.4-88.1000113.5L172L172-H174 VanDerWaalsContact C-N 3.32Å; L172-H174 PolarHBondContact O-N 3.12Å
175A98Very high96.6Very high0 Ų044.5 Ų44.50%021%0.214CC..G310 helixtrans-109.42.3-177.500000113.1P165 L172 P173 L177 S282 K285 C286P165-A175 HydrophobicContact CG-CB 3.52Å; L172-A175 HydrophobicContact CB-CB 4.48Å; L172-A175 PolarHBondContact O-N 3.14Å; P173-A175 PolarHBondContact O-N 2.84Å; A175-L177 PolarHBondContact O-N 3Å; A175-S282 WeakPolarHBondContact O-CB 3.48Å; A175-S282 PolarHBondContact O-OG 2.8Å; A175-K285 HydrophobicContact CB-CB 3.7Å; A175-C286 VanDerWaalsContact CB-SG 3.51Å
176I98.2Very high96.6Very high23 Ų2344.5 Ų44.512%0.11821%0.214CC..  trans-70.4129.5172.1-60.9178.2000109P110 M111 T163 V164 A171 L172 P173P110-I176 HydrophobicContact CB-CD1 4.19Å; P110-I176 HydrophobicContact CB-CG2 3.85Å; M111-I176 HydrophobicContact CG-CG2 4.41Å; T163-I176 WeakPolarHBondContact O-CA 3.39Å; V164-I176 HydrophobicContact CG1-CD1 4.07Å; V164-I176 HydrophobicContact CG1-CG1 4.09Å; V164-I176 HydrophobicContact CG2-CG2 4.25Å; A171-I176 HydrophobicContact CB-CD1 4.43Å; L172-I176 WeakPolarHBondContact O-CG1 3.37Å; L172-I176 PolarHBondContact O-N 3.24Å; P173-I176 PolarHBondContact O-N 3.36Å
177L98Very high96.6Very high35 Ų3544.5 Ų44.518%0.18321%0.214CC..EExtended strand (participates in β ladder)trans-120143.6171.5-57.8175.5000109.6H162 T163 A175 T278 K285H162-L177 WeakPolarHBondContact CA-O 3.49Å; T163-L177 PolarHBondContact N-O 3.16Å; T163-L177 PolarHBondContact O-N 3.27Å; T163-L177 VanDerWaalsContact O-N 3.09Å; T163-L177 WeakPolarHBondContact OG1-CB 3.46Å; A175-L177 PolarHBondContact O-N 3Å; L177-T278 HydrophobicContact CB-CG2 3.62Å; L177-T278 HydrophobicContact CD1-CG2 3.9Å; L177-T278 WeakPolarHBondContact CD1-O 3.33Å; L177-T278 HydrophobicContact CG-CG2 4.42Å; L177-K285 HydrophobicContact CD2-CD 4.24Å; L177-K285 VanDerWaalsContact CD2-NZ 3.32Å
178R95.5Very high96.6Very high97 Ų9743.9 Ų43.937%0.36622%0.216SC..EExtended strand (participates in β ladder)trans-123.2139-178.3173.5176.6164.7137.2-1.8108.9H74 V160 D180H74-R178 VanDerWaalsContact O-CZ 3.24Å; H74-R178 PolarHBondContact O-NH1 3.34Å; H74-R178 PolarHBondContact O-NH2 2.93Å; V160-R178 HydrophobicContact CG2-CG 3.83Å; R178-D180 IonicContact CZ-OD1 3.3Å; R178-D180 VanDerWaalsContact CZ-OD1 3.23Å; R178-D180 IonicContact NE-OD1 3.6Å; R178-D180 PolarHBondContact NE-OD1 3.06Å; R178-D180 IonicContact NH2-OD1 2.74Å; R178-D180 PolarHBondContact NH2-OD1 3.25Å; R178-D180 IonicContact NH2-OD2 3.89Å
179L95.5Very high96.7Very high16 Ų1639 Ų398%0.08419%0.192CC..EExtended strand (participates in β ladder)trans-130.5116.6175.3-174.871.7000108.6V160 S161 L181 C272 I275V160-L179 WeakPolarHBondContact CG2-O 3.44Å; S161-L179 PolarHBondContact N-O 3.41Å; S161-L179 PolarHBondContact O-N 2.89Å; L179-L181 HydrophobicContact CD2-CB 3.75Å; L179-L181 HydrophobicContact CD2-CD2 4.06Å; L179-L181 HydrophobicContact CD2-CG 4.3Å; L179-L181 HydrophobicContact CG-CB 3.73Å; L179-L181 PolarHBondContact O-N 2.77Å; L179-C272 HydrophobicContact CD1-CB 3.93Å; L179-C272 WeakPolarHBondContact CD1-SG 3.41Å; L179-I275 HydrophobicContact CD2-CG2 4.33Å
180D94.9Very high97Very high61 Ų6138.4 Ų38.433%0.32619%0.186SC..SBendtrans-77.658.4173.5-75.39.4000109.6H74 R178 M270H74-D180 IonicContact CE1-OD2 3.85Å; H74-D180 IonicContact CG-OD2 3.68Å; H74-D180 IonicContact ND1-OD2 3.44Å; H74-D180 PolarHBondContact ND1-OD2 3.47Å; R178-D180 IonicContact CZ-OD1 3.3Å; R178-D180 VanDerWaalsContact CZ-OD1 3.23Å; R178-D180 IonicContact NE-OD1 3.6Å; R178-D180 PolarHBondContact NE-OD1 3.06Å; R178-D180 IonicContact NH2-OD1 2.74Å; R178-D180 PolarHBondContact NH2-OD1 3.25Å; R178-D180 IonicContact NH2-OD2 3.89Å; D180-M270 WeakPolarHBondContact O-CE 3.47Å
181L97.2Very high97.2Very high1 Ų132.7 Ų32.71%0.00517%0.165CC..  trans-143.2118.5175.317152.6000108.2S161 L179 D185 A261 P265 L268 M270S161-L181 WeakPolarHBondContact CB-O 3.44Å; S161-L181 PolarHBondContact OG-O 3.43Å; L179-L181 HydrophobicContact CD2-CB 3.75Å; L179-L181 HydrophobicContact CD2-CD2 4.06Å; L179-L181 HydrophobicContact CD2-CG 4.3Å; L179-L181 HydrophobicContact CG-CB 3.73Å; L179-L181 PolarHBondContact O-N 2.77Å; L181-D185 WeakPolarHBondContact CA-OD2 3.43Å; L181-D185 HydrophobicContact CD1-CB 3.66Å; L181-A261 WeakPolarHBondContact CD2-O 3.39Å; L181-P265 HydrophobicContact CD2-CB 3.94Å; L181-P265 HydrophobicContact CD2-CG 3.86Å; L181-L268 HydrophobicContact CD1-CD1 3.37Å; L181-L268 HydrophobicContact CD2-CD1 3.95Å; L181-L268 HydrophobicContact CG-CD1 4.31Å; L181-M270 HydrophobicContact CB-CE 4.1Å; L181-M270 HydrophobicContact CB-SD 4.19Å; L181-M270 HydrophobicContact CD1-SD 4.23Å; L181-M270 HydrophobicContact CD2-SD 4.21Å; L181-M270 HydrophobicContact CG-SD 4.44Å
182A97.6Very high97.2Very high0 Ų037.7 Ų37.70%018%0.184CC..SBendtrans-158.2-160.4-177.600000112.4G157 D158 G159 R184 D185 L186G157-A182 WeakPolarHBondContact O-CB 3.45Å; D158-A182 WeakPolarHBondContact O-CB 3.42Å; G159-A182 VanDerWaalsContact C-CB 3.49Å; A182-R184 PolarHBondContact O-N 3.23Å; A182-R184 VanDerWaalsContact O-N 3.13Å; A182-D185 PolarHBondContact N-OD2 3.28Å; A182-D185 PolarHBondContact O-N 3.04Å; A182-L186 WeakPolarHBondContact O-CG 3.42Å; A182-L186 PolarHBondContact O-N 2.68Å; A182-L186 VanDerWaalsContact O-N 3.14Å
183G98Very high97.2Very high1 Ų136.1 Ų36.11%0.0118%0.175CC..Hα-helixtrans-56.4-31.8-172.200000114.8G157 D158 T187 K214 S304G157-G183 PolarHBondContact O-N 3.49Å; G157-G183 VanDerWaalsContact O-N 3.12Å; D158-G183 PolarHBondContact O-N 3.35Å; D158-G183 VanDerWaalsContact O-N 3.14Å; G183-T187 PolarHBondContact O-N 3.49Å; G183-T187 VanDerWaalsContact O-N 3.09Å; G183-T187 PolarHBondContact O-OG1 3.28Å; G183-K214 PolarHBondContact O-NZ 2.82Å; G183-S304 VanDerWaalsContact CA-OG 3.28Å; G183-S304 WeakPolarHBondContact CA-OG 3.47Å; G183-S304 PolarHBondContact N-OG 3.38Å; G183-S304 VanDerWaalsContact N-OG 3.15Å
184R96.7Very high97.3Very high39 Ų3932.1 Ų32.115%0.14715%0.149CC..Hα-helixtrans-67.2-50.6-179.9-167.7171.5-64.21702.3110.8S15 D158 A182 L186 T187 D188 R207S15-R184 PolarHBondContact O-NH2 2.87Å; D158-R184 VanDerWaalsContact O-CB 3.23Å; D158-R184 WeakPolarHBondContact O-CB 3.5Å; D158-R184 PolarHBondContact O-N 2.94Å; D158-R184 PolarHBondContact OD1-N 2.9Å; D158-R184 IonicContact OD2-CZ 3.23Å; D158-R184 IonicContact OD2-NE 2.87Å; D158-R184 PolarHBondContact OD2-NE 3Å; D158-R184 IonicContact OD2-NH2 3.5Å; D158-R184 PolarHBondContact OD2-NH2 3.06Å; A182-R184 PolarHBondContact O-N 3.23Å; A182-R184 VanDerWaalsContact O-N 3.13Å; R184-L186 VanDerWaalsContact C-N 3.31Å; R184-L186 PolarHBondContact O-N 2.91Å; R184-T187 VanDerWaalsContact O-CB 3.29Å; R184-T187 WeakPolarHBondContact O-CB 3.46Å; R184-T187 PolarHBondContact O-N 2.94Å; R184-D188 PolarHBondContact O-N 3.43Å; R184-D188 VanDerWaalsContact O-N 3.09Å; R184-R207 PolarHBondContact O-NH2 2.95Å
185D97.9Very high97.3Very high39 Ų3929.7 Ų29.721%0.20914%0.142CC..Hα-helixtrans-62.2-40178.6-44.8-75.3000111.2L181 A182 T187 D188 Y189 L268L181-D185 WeakPolarHBondContact CA-OD2 3.43Å; L181-D185 HydrophobicContact CD1-CB 3.66Å; A182-D185 PolarHBondContact N-OD2 3.28Å; A182-D185 PolarHBondContact O-N 3.04Å; D185-T187 VanDerWaalsContact C-N 3.26Å; D185-T187 PolarHBondContact O-N 3.15Å; D185-D188 PolarHBondContact O-N 2.98Å; D185-Y189 WeakPolarHBondContact O-CB 3.34Å; D185-Y189 PolarHBondContact O-N 3.03Å; D185-L268 HydrophobicContact CB-CD2 4.38Å
186L98.5Very high97.2Very high0 Ų035.2 Ų35.20%017%0.168CC..Hα-helixtrans-63.1-34175.2-63.5179.7000112.5A182 R184 L190 K214 C258 A261 M262 F307A182-L186 WeakPolarHBondContact O-CG 3.42Å; A182-L186 PolarHBondContact O-N 2.68Å; A182-L186 VanDerWaalsContact O-N 3.14Å; R184-L186 VanDerWaalsContact C-N 3.31Å; R184-L186 PolarHBondContact O-N 2.91Å; L186-L190 VanDerWaalsContact O-CB 3.3Å; L186-L190 WeakPolarHBondContact O-CB 3.36Å; L186-L190 PolarHBondContact O-N 3.12Å; L186-K214 HydrophobicContact CB-CD 3.97Å; L186-C258 WeakPolarHBondContact CD2-O 3.45Å; L186-C258 PolarHBondContact O-SG 3Å; L186-A261 HydrophobicContact CD2-CB 3.98Å; L186-M262 HydrophobicContact CD1-CG 3.66Å; L186-M262 HydrophobicContact CD1-SD 3.67Å; L186-M262 HydrophobicContact CD2-CG 3.98Å; L186-M262 HydrophobicContact CG-CG 4.32Å; L186-F307 HydrophobicContact CD1-CE2 3.74Å; L186-F307 HydrophobicContact CD1-CZ 4.07Å
187T98.2Very high96.8Very high0 Ų038.4 Ų38.40%018%0.179CC..Hα-helixtrans-68.1-44.1175.8-51.20000110.5G183 R184 D185 Y189 L190 M191 R207 V210 R211 K214G183-T187 PolarHBondContact O-N 3.49Å; G183-T187 VanDerWaalsContact O-N 3.09Å; G183-T187 PolarHBondContact O-OG1 3.28Å; R184-T187 VanDerWaalsContact O-CB 3.29Å; R184-T187 WeakPolarHBondContact O-CB 3.46Å; R184-T187 PolarHBondContact O-N 2.94Å; D185-T187 VanDerWaalsContact C-N 3.26Å; D185-T187 PolarHBondContact O-N 3.15Å; T187-Y189 VanDerWaalsContact C-N 3.33Å; T187-L190 PolarHBondContact O-N 2.92Å; T187-M191 WeakPolarHBondContact O-CB 3.14Å; T187-M191 PolarHBondContact O-N 2.86Å; T187-R207 HydrophobicContact CG2-CG 4.11Å; T187-V210 HydrophobicContact CG2-CB 4.23Å; T187-V210 HydrophobicContact CG2-CG1 4.05Å; T187-V210 WeakPolarHBondContact O-CG1 3.38Å; T187-R211 HydrophobicContact CG2-CB 3.9Å; T187-K214 WeakPolarHBondContact OG1-CE 3.36Å; T187-K214 PolarHBondContact OG1-NZ 3.02Å; T187-K214 VanDerWaalsContact OG1-NZ 3.08Å
188D97.2Very high96.6Very high63 Ų6339.7 Ų39.734%0.33720%0.2SC..Hα-helixtrans-67.6-36.3178.5-63.8-39.6000111.4R184 D185 M191 K192 R207R184-D188 PolarHBondContact O-N 3.43Å; R184-D188 VanDerWaalsContact O-N 3.09Å; D185-D188 PolarHBondContact O-N 2.98Å; D188-M191 WeakPolarHBondContact O-CB 3.31Å; D188-M191 PolarHBondContact O-N 2.9Å; D188-K192 PolarHBondContact O-N 2.79Å; D188-K192 VanDerWaalsContact O-N 3.1Å; D188-R207 IonicContact OD1-CZ 3.56Å; D188-R207 VanDerWaalsContact OD1-CZ 3.3Å; D188-R207 IonicContact OD1-NE 2.85Å; D188-R207 PolarHBondContact OD1-NE 3.11Å; D188-R207 IonicContact OD1-NH2 3.65Å; D188-R207 PolarHBondContact OD1-NH2 2.98Å; D188-R207 IonicContact OD2-CZ 3.82Å; D188-R207 IonicContact OD2-NE 3.34Å; D188-R207 IonicContact OD2-NH2 2.78Å; D188-R207 PolarHBondContact OD2-NH2 3.45Å
189Y98.1Very high96.6Very high18 Ų1837.1 Ų37.17%0.07119%0.193CC..Hα-helixtrans-66.2-44.4172.2-179.7-127.5000112.7D185 T187 M191 K192 I193 R257 C258 A261 F267 L268D185-Y189 WeakPolarHBondContact O-CB 3.34Å; D185-Y189 PolarHBondContact O-N 3.03Å; T187-Y189 VanDerWaalsContact C-N 3.33Å; Y189-M191 PolarHBondContact O-N 2.88Å; Y189-K192 WeakPolarHBondContact O-CB 3.28Å; Y189-K192 PolarHBondContact O-N 3.16Å; Y189-K192 VanDerWaalsContact O-N 3.12Å; Y189-I193 HydrophobicContact CD2-CG2 4.09Å; Y189-I193 HydrophobicContact CE1-CD1 4.16Å; Y189-I193 HydrophobicContact CE1-CG2 4.4Å; Y189-I193 HydrophobicContact CE2-CG2 3.49Å; Y189-I193 VanDerWaalsContact CE2-CG2 3.49Å; Y189-I193 PolarHBondContact O-N 2.72Å; Y189-R257 WeakPolarHBondContact CE1-O 3.33Å; Y189-C258 HydrophobicContact CD1-CB 4.48Å; Y189-A261 HydrophobicContact CD1-CB 4.02Å; Y189-A261 HydrophobicContact CE1-CB 4.07Å; Y189-F267 HydrophobicContact CE1-CB 4.44Å; Y189-L268 HydrophobicContact CD2-CD2 4.4Å; Y189-L268 HydrophobicContact CG-CD2 4.03Å; Y189-L268 HydrophobicContact CG-CG 4.43Å
190L98.4Very high96.5Very high0 Ų039.8 Ų39.80%021%0.213CC..Hα-helixtrans-59.1-41.6175.6-176.758.6000110.7L186 T187 K192 I193 L194 V210 I213 K214 E254 C258L186-L190 VanDerWaalsContact O-CB 3.3Å; L186-L190 WeakPolarHBondContact O-CB 3.36Å; L186-L190 PolarHBondContact O-N 3.12Å; T187-L190 PolarHBondContact O-N 2.92Å; L190-K192 VanDerWaalsContact C-N 3.3Å; L190-K192 PolarHBondContact O-N 3.14Å; L190-I193 HydrophobicContact CD1-CD1 4Å; L190-I193 HydrophobicContact CD1-CG1 4.06Å; L190-I193 WeakPolarHBondContact O-CG1 3.4Å; L190-I193 PolarHBondContact O-N 2.89Å; L190-L194 HydrophobicContact CD1-CD1 4.1Å; L190-L194 HydrophobicContact CD1-CD2 4.49Å; L190-L194 HydrophobicContact CD1-CG 4Å; L190-L194 HydrophobicContact CD2-CD1 4.45Å; L190-L194 HydrophobicContact CG-CD1 3.81Å; L190-L194 HydrophobicContact CG-CG 4.18Å; L190-L194 WeakPolarHBondContact O-CB 3.37Å; L190-L194 WeakPolarHBondContact O-CG 3.46Å; L190-L194 PolarHBondContact O-N 2.82Å; L190-V210 HydrophobicContact CB-CG1 3.77Å; L190-V210 HydrophobicContact CD2-CG1 3.78Å; L190-V210 HydrophobicContact CG-CG1 3.72Å; L190-I213 HydrophobicContact CD2-CB 4.44Å; L190-I213 HydrophobicContact CD2-CG2 4.06Å; L190-K214 HydrophobicContact CD2-CB 3.62Å; L190-K214 HydrophobicContact CD2-CG 4.36Å; L190-E254 HydrophobicContact CD1-CB 3.82Å; L190-C258 HydrophobicContact CB-CB 4.28Å; L190-C258 HydrophobicContact CD1-CB 4Å
191M97.7Very high96.5Very high43 Ų4337.7 Ų37.721%0.21220%0.2CC..Hα-helixtrans-58.7-42.4176.1-166.3167.268.900112T187 D188 Y189 T195 F201 R207 V210T187-M191 WeakPolarHBondContact O-CB 3.14Å; T187-M191 PolarHBondContact O-N 2.86Å; D188-M191 WeakPolarHBondContact O-CB 3.31Å; D188-M191 PolarHBondContact O-N 2.9Å; Y189-M191 PolarHBondContact O-N 2.88Å; M191-T195 PolarHBondContact O-N 3.19Å; M191-T195 VanDerWaalsContact O-N 3.11Å; M191-T195 PolarHBondContact O-OG1 3.14Å; M191-F201 HydrophobicContact CG-CB 3.94Å; M191-F201 WeakPolarHBondContact CG-O 3.39Å; M191-F201 HydrophobicContact SD-CB 4.22Å; M191-R207 HydrophobicContact SD-CB 4.44Å; M191-R207 HydrophobicContact SD-CG 4.45Å; M191-V210 HydrophobicContact CB-CG1 4.13Å; M191-V210 HydrophobicContact CB-CG2 4.31Å; M191-V210 HydrophobicContact CG-CG2 4.21Å
192K96.9Very high96.3Very high125 Ų12542.9 Ų42.954%0.54323%0.233SC..Hα-helixtrans-63.2-51.7175.8-178.9-176.4172.8-174.30111.9D188 Y189 L190 L194 T195 E196D188-K192 PolarHBondContact O-N 2.79Å; D188-K192 VanDerWaalsContact O-N 3.1Å; Y189-K192 WeakPolarHBondContact O-CB 3.28Å; Y189-K192 PolarHBondContact O-N 3.16Å; Y189-K192 VanDerWaalsContact O-N 3.12Å; L190-K192 VanDerWaalsContact C-N 3.3Å; L190-K192 PolarHBondContact O-N 3.14Å; K192-L194 VanDerWaalsContact C-N 3.33Å; K192-L194 PolarHBondContact O-N 3.45Å; K192-T195 VanDerWaalsContact O-CB 3.32Å; K192-T195 WeakPolarHBondContact O-CB 3.4Å; K192-T195 PolarHBondContact O-N 2.98Å; K192-T195 VanDerWaalsContact O-N 3.1Å; K192-E196 PolarHBondContact O-N 3.25Å; K192-E196 VanDerWaalsContact O-N 3.09Å
193I97.1Very high96Very high0 Ų046 Ų460%025%0.252CS..Hα-helixtrans-72.1-26.2-177.165.1-177.4000112.9Y189 L190 T195 E196 R197 E254 R257 C258Y189-I193 HydrophobicContact CD2-CG2 4.09Å; Y189-I193 HydrophobicContact CE1-CD1 4.16Å; Y189-I193 HydrophobicContact CE1-CG2 4.4Å; Y189-I193 HydrophobicContact CE2-CG2 3.49Å; Y189-I193 VanDerWaalsContact CE2-CG2 3.49Å; Y189-I193 PolarHBondContact O-N 2.72Å; L190-I193 HydrophobicContact CD1-CD1 4Å; L190-I193 HydrophobicContact CD1-CG1 4.06Å; L190-I193 WeakPolarHBondContact O-CG1 3.4Å; L190-I193 PolarHBondContact O-N 2.89Å; I193-T195 VanDerWaalsContact C-N 3.33Å; I193-E196 WeakPolarHBondContact O-CB 3.31Å; I193-E196 PolarHBondContact O-N 3.11Å; I193-R197 PolarHBondContact O-N 2.96Å; I193-E254 HydrophobicContact CB-CG 4.29Å; I193-E254 HydrophobicContact CD1-CB 3.73Å; I193-E254 HydrophobicContact CD1-CG 3.95Å; I193-E254 HydrophobicContact CG1-CB 4.01Å; I193-E254 HydrophobicContact CG1-CG 3.79Å; I193-R257 HydrophobicContact CD1-CB 4.3Å; I193-C258 HydrophobicContact CD1-CB 4.17Å
194L97.9Very high95.5Very high0 Ų049.3 Ų49.30%027%0.272CS..Hα-helixtrans-67.2-36.5168.4-72.3173.8000111.6L190 K192 E196 R197 G198 H199 F201 V210 I213 I251 E254L190-L194 HydrophobicContact CD1-CD1 4.1Å; L190-L194 HydrophobicContact CD1-CD2 4.49Å; L190-L194 HydrophobicContact CD1-CG 4Å; L190-L194 HydrophobicContact CD2-CD1 4.45Å; L190-L194 HydrophobicContact CG-CD1 3.81Å; L190-L194 HydrophobicContact CG-CG 4.18Å; L190-L194 WeakPolarHBondContact O-CB 3.37Å; L190-L194 WeakPolarHBondContact O-CG 3.46Å; L190-L194 PolarHBondContact O-N 2.82Å; K192-L194 VanDerWaalsContact C-N 3.33Å; K192-L194 PolarHBondContact O-N 3.45Å; L194-E196 VanDerWaalsContact C-N 3.34Å; L194-R197 PolarHBondContact O-N 3.08Å; L194-G198 PolarHBondContact O-N 3.46Å; L194-H199 CarbonylContact C-O 3.59Å; L194-H199 HydrophobicContact CB-CB 4.34Å; L194-H199 PolarHBondContact O-N 3.32Å; L194-F201 HydrophobicContact CB-CD2 4.38Å; L194-F201 HydrophobicContact CB-CE2 4.21Å; L194-F201 HydrophobicContact CD1-CD2 4.25Å; L194-F201 HydrophobicContact CD1-CE2 3.82Å; L194-V210 HydrophobicContact CD1-CG1 4.24Å; L194-V210 HydrophobicContact CD1-CG2 4.34Å; L194-I213 HydrophobicContact CD1-CD1 4.32Å; L194-I251 HydrophobicContact CD2-CD1 3.67Å; L194-I251 HydrophobicContact CD2-CG2 4.23Å; L194-E254 HydrophobicContact CD2-CB 4.37Å; L194-E254 HydrophobicContact CD2-CG 4.13Å
195T96.9Very high95.2Very high62 Ų6249.8 Ų49.838%0.3828%0.284SS..Hα-helixtrans-65-38.3174.6-58.10000111.3M191 K192 I193 R197 G198 H199M191-T195 PolarHBondContact O-N 3.19Å; M191-T195 VanDerWaalsContact O-N 3.11Å; M191-T195 PolarHBondContact O-OG1 3.14Å; K192-T195 VanDerWaalsContact O-CB 3.32Å; K192-T195 WeakPolarHBondContact O-CB 3.4Å; K192-T195 PolarHBondContact O-N 2.98Å; K192-T195 VanDerWaalsContact O-N 3.1Å; I193-T195 VanDerWaalsContact C-N 3.33Å; T195-R197 PolarHBondContact O-N 3.15Å; T195-G198 PolarHBondContact O-N 2.85Å; T195-H199 WeakPolarHBondContact CA-O 3.37Å; T195-H199 PolarHBondContact N-O 3.48Å
196E94.4Very high95Very high117 Ų11750.8 Ų50.855%0.54729%0.287SS..Hα-helixtrans-58.4-33.1174-66.3168.4-171.300112.4K192 I193 L194 G198 R257K192-E196 PolarHBondContact O-N 3.25Å; K192-E196 VanDerWaalsContact O-N 3.09Å; I193-E196 WeakPolarHBondContact O-CB 3.31Å; I193-E196 PolarHBondContact O-N 3.11Å; L194-E196 VanDerWaalsContact C-N 3.34Å; E196-G198 VanDerWaalsContact C-N 3.33Å; E196-R257 IonicContact OE2-NH2 3.2Å
197R90.7Very high94.8Very high90 Ų9052.3 Ų52.334%0.3429%0.293SS..Hα-helixtrans-79.3-12.5174.7-176.2161.5-178.7141.97.6114I193 L194 T195 E238 T250 G252 E254I193-R197 PolarHBondContact O-N 2.96Å; L194-R197 PolarHBondContact O-N 3.08Å; T195-R197 PolarHBondContact O-N 3.15Å; R197-E238 IonicContact CZ-OE1 2.72Å; R197-E238 IonicContact NH1-OE1 3.41Å; R197-E238 IonicContact NH2-OE1 3.98Å; R197-E238 PolarHBondContact NH2-OE1 3.34Å; R197-T250 PolarHBondContact NE-O 2.97Å; R197-G252 VanDerWaalsContact NH1-CA 3.28Å; R197-G252 VanDerWaalsContact NH1-N 3.15Å; R197-E254 WeakPolarHBondContact CD-OE1 3.47Å; R197-E254 IonicContact NH1-OE1 2.74Å; R197-E254 IonicContact NH1-OE2 3.77Å; R197-E254 PolarHBondContact NH1-OE2 3.45Å
198G94.3Very high94.6Very high61 Ų6153.6 Ų53.663%0.62930%0.299SS*.THydrogen-bonded Turntrans103.27.5-178.200000114.9L194 T195 E196L194-G198 PolarHBondContact O-N 3.46Å; T195-G198 PolarHBondContact O-N 2.85Å; E196-G198 VanDerWaalsContact C-N 3.33Å
199H93.9Very high94.6Very high44 Ų4452.1 Ų52.120%0.20429%0.291CS..  trans-100.696.8173.3-60-48.9000109.9L194 T195 F201L194-H199 CarbonylContact C-O 3.59Å; L194-H199 HydrophobicContact CB-CB 4.34Å; L194-H199 PolarHBondContact O-N 3.32Å; T195-H199 WeakPolarHBondContact CA-O 3.37Å; T195-H199 PolarHBondContact N-O 3.48Å; H199-F201 HydrophobicContact CB-CE2 3.9Å
200S93.7Very high94.6Very high72 Ų7251.2 Ų51.250%0.50329%0.287SS..  trans-90.3127.3-178.4-165.10000111.6T202S200-T202 WeakPolarHBondContact OG-CG2 3.36Å
201F94.9Very high94.6Very high16 Ų1654.5 Ų54.57%0.0730%0.3CS..  trans-123.4116.1173.2-62-82.6000106.6M191 L194 H199 E206 I209 V210 I213 L243 I249M191-F201 HydrophobicContact CG-CB 3.94Å; M191-F201 WeakPolarHBondContact CG-O 3.39Å; M191-F201 HydrophobicContact SD-CB 4.22Å; L194-F201 HydrophobicContact CB-CD2 4.38Å; L194-F201 HydrophobicContact CB-CE2 4.21Å; L194-F201 HydrophobicContact CD1-CD2 4.25Å; L194-F201 HydrophobicContact CD1-CE2 3.82Å; H199-F201 HydrophobicContact CB-CE2 3.9Å; F201-E206 HydrophobicContact CB-CB 3.89Å; F201-E206 HydrophobicContact CD1-CB 3.89Å; F201-E206 HydrophobicContact CD1-CG 4.22Å; F201-E206 HydrophobicContact CG-CB 4.38Å; F201-I209 HydrophobicContact CE1-CG2 4.22Å; F201-V210 HydrophobicContact CB-CG2 3.82Å; F201-V210 HydrophobicContact CD1-CG2 4.13Å; F201-V210 HydrophobicContact CD2-CG2 3.62Å; F201-V210 HydrophobicContact CE2-CG2 4.18Å; F201-V210 HydrophobicContact CG-CG2 3.58Å; F201-I213 HydrophobicContact CZ-CD1 4.28Å; F201-L243 HydrophobicContact CE1-CD2 3.93Å; F201-L243 HydrophobicContact CZ-CD2 4.11Å; F201-I249 HydrophobicContact CE2-CD1 4.48Å; F201-I249 HydrophobicContact CZ-CD1 3.83Å
202T92.5Very high94.6Very high111 Ų11154.2 Ų54.268%0.68130%0.299SS*.  trans-119.6-23.7-168.560.90000113.2S200 E206S200-T202 WeakPolarHBondContact OG-CG2 3.36Å; T202-E206 PolarHBondContact N-OE2 2.82Å; T202-E206 PolarHBondContact OG1-OE2 2.98Å
203T91.7Very high94.6Very high66 Ų6648.3 Ų48.341%0.40527%0.273SS..SBendtrans-93.7159.9-176.969.30000112.2A205 E206 R207T203-A205 PolarHBondContact O-N 2.83Å; T203-E206 PolarHBondContact N-OE2 2.93Å; T203-E206 PolarHBondContact O-N 2.8Å; T203-E206 WeakPolarHBondContact OG1-CB 3.27Å; T203-E206 VanDerWaalsContact OG1-CD 3.3Å; T203-E206 WeakPolarHBondContact OG1-CG 3.48Å; T203-E206 PolarHBondContact OG1-N 3.26Å; T203-E206 VanDerWaalsContact OG1-N 3.13Å; T203-E206 PolarHBondContact OG1-OE2 3Å; T203-R207 PolarHBondContact O-N 2.91Å
204T88.4Confident94.7Very high70 Ų7048.6 Ų48.643%0.42928%0.275SS..THydrogen-bonded Turntrans-66.4-20.7175.555.60000113.5R63R63-T204 VanDerWaalsContact CD-O 3.28Å; R63-T204 WeakPolarHBondContact CD-O 3.32Å; R63-T204 PolarHBondContact NH1-O 3.47Å
205A89.5Confident94.7Very high49 Ų4954 Ų5441%0.40530%0.3SS..THydrogen-bonded Turntrans-78-44.9173.300000110.8T203 R207 E208T203-A205 PolarHBondContact O-N 2.83Å; A205-R207 VanDerWaalsContact C-N 3.26Å; A205-R207 PolarHBondContact O-N 3.43Å; A205-E208 WeakPolarHBondContact O-CB 3.44Å; A205-E208 PolarHBondContact O-N 3.44Å
206E93.7Very high94.8Very high59 Ų5957.5 Ų57.528%0.27631%0.31SS..Hα-helixtrans-61.8-33.8174.2-77167162.100112.5F201 T202 T203 E208 I209 V210F201-E206 HydrophobicContact CB-CB 3.89Å; F201-E206 HydrophobicContact CD1-CB 3.89Å; F201-E206 HydrophobicContact CD1-CG 4.22Å; F201-E206 HydrophobicContact CG-CB 4.38Å; T202-E206 PolarHBondContact N-OE2 2.82Å; T202-E206 PolarHBondContact OG1-OE2 2.98Å; T203-E206 PolarHBondContact N-OE2 2.93Å; T203-E206 PolarHBondContact O-N 2.8Å; T203-E206 WeakPolarHBondContact OG1-CB 3.27Å; T203-E206 VanDerWaalsContact OG1-CD 3.3Å; T203-E206 WeakPolarHBondContact OG1-CG 3.48Å; T203-E206 PolarHBondContact OG1-N 3.26Å; T203-E206 VanDerWaalsContact OG1-N 3.13Å; T203-E206 PolarHBondContact OG1-OE2 3Å; E206-E208 PolarHBondContact O-N 2.79Å; E206-I209 HydrophobicContact CG-CD1 4.46Å; E206-I209 WeakPolarHBondContact O-CA 3.49Å; E206-I209 VanDerWaalsContact O-CB 3.26Å; E206-I209 WeakPolarHBondContact O-CB 3.25Å; E206-I209 PolarHBondContact O-N 2.95Å; E206-V210 PolarHBondContact O-N 2.69Å; E206-V210 VanDerWaalsContact O-N 3.08Å
207R94.8Very high95Very high32 Ų3253.2 Ų53.212%0.12129%0.29CS..Hα-helixtrans-55.3-32.7171.7-170.2-176.1-176.8-76.6-5.8113.1R184 T187 D188 M191 T203 A205 V210 R211R184-R207 PolarHBondContact O-NH2 2.95Å; T187-R207 HydrophobicContact CG2-CG 4.11Å; D188-R207 IonicContact OD1-CZ 3.56Å; D188-R207 VanDerWaalsContact OD1-CZ 3.3Å; D188-R207 IonicContact OD1-NE 2.85Å; D188-R207 PolarHBondContact OD1-NE 3.11Å; D188-R207 IonicContact OD1-NH2 3.65Å; D188-R207 PolarHBondContact OD1-NH2 2.98Å; D188-R207 IonicContact OD2-CZ 3.82Å; D188-R207 IonicContact OD2-NE 3.34Å; D188-R207 IonicContact OD2-NH2 2.78Å; D188-R207 PolarHBondContact OD2-NH2 3.45Å; M191-R207 HydrophobicContact SD-CB 4.44Å; M191-R207 HydrophobicContact SD-CG 4.45Å; T203-R207 PolarHBondContact O-N 2.91Å; A205-R207 VanDerWaalsContact C-N 3.26Å; A205-R207 PolarHBondContact O-N 3.43Å; R207-V210 WeakPolarHBondContact O-CB 3.43Å; R207-V210 PolarHBondContact O-N 3.49Å; R207-R211 PolarHBondContact O-N 2.82Å
208E94.6Very high95.4Very high27 Ų2749 Ų4913%0.12628%0.275CS..Hα-helixtrans-73.8-30.1176.8-63.3-64.7144.900112.3Q60 R63 A205 E206 V210 R211 D212Q60-E208 VanDerWaalsContact NE2-CG 3.31Å; Q60-E208 PolarHBondContact NE2-OE2 2.82Å; R63-E208 IonicContact CZ-OE1 2.7Å; R63-E208 VanDerWaalsContact CZ-OE1 3.24Å; R63-E208 IonicContact NH1-OE1 3.1Å; R63-E208 PolarHBondContact NH1-OE1 2.86Å; R63-E208 VanDerWaalsContact NH1-OE1 3.17Å; R63-E208 IonicContact NH2-OE1 3.42Å; R63-E208 PolarHBondContact NH2-OE1 3.4Å; A205-E208 WeakPolarHBondContact O-CB 3.44Å; A205-E208 PolarHBondContact O-N 3.44Å; E206-E208 PolarHBondContact O-N 2.79Å; E208-V210 VanDerWaalsContact C-N 3.32Å; E208-R211 PolarHBondContact O-N 3.14Å; E208-R211 IonicContact OE2-CZ 3.06Å; E208-R211 IonicContact OE2-NE 3.57Å; E208-R211 PolarHBondContact OE2-NE 3.19Å; E208-R211 IonicContact OE2-NH2 3.59Å; E208-R211 PolarHBondContact OE2-NH2 2.97Å; E208-D212 PolarHBondContact O-N 2.85Å
209I96.6Very high95.6Very high32 Ų3247.6 Ų47.616%0.16425%0.251CS..Hα-helixtrans-63.4-44.2169.9-54.2173.4000109.1F201 E206 R211 D212 I213 Y241 L243 P244F201-I209 HydrophobicContact CE1-CG2 4.22Å; E206-I209 HydrophobicContact CG-CD1 4.46Å; E206-I209 WeakPolarHBondContact O-CA 3.49Å; E206-I209 VanDerWaalsContact O-CB 3.26Å; E206-I209 WeakPolarHBondContact O-CB 3.25Å; E206-I209 PolarHBondContact O-N 2.95Å; I209-R211 VanDerWaalsContact C-N 3.32Å; I209-R211 PolarHBondContact O-N 2.85Å; I209-D212 PolarHBondContact O-N 2.93Å; I209-D212 VanDerWaalsContact O-N 3.16Å; I209-I213 HydrophobicContact CG2-CD1 4.14Å; I209-I213 WeakPolarHBondContact O-CG1 3.45Å; I209-I213 PolarHBondContact O-N 3.02Å; I209-Y241 HydrophobicContact CG2-CE1 3.72Å; I209-L243 HydrophobicContact CG2-CD2 3.68Å; I209-P244 HydrophobicContact CD1-CG 3.86Å; I209-P244 HydrophobicContact CG1-CG 4.23Å
210V98.1Very high95.8Very high0 Ų045.7 Ų45.70%024%0.242CC..Hα-helixtrans-61.8-40.3175.8-179.20000111.5T187 L190 M191 L194 F201 E206 R207 E208 D212 I213 K214T187-V210 HydrophobicContact CG2-CB 4.23Å; T187-V210 HydrophobicContact CG2-CG1 4.05Å; T187-V210 WeakPolarHBondContact O-CG1 3.38Å; L190-V210 HydrophobicContact CB-CG1 3.77Å; L190-V210 HydrophobicContact CD2-CG1 3.78Å; L190-V210 HydrophobicContact CG-CG1 3.72Å; M191-V210 HydrophobicContact CB-CG1 4.13Å; M191-V210 HydrophobicContact CB-CG2 4.31Å; M191-V210 HydrophobicContact CG-CG2 4.21Å; L194-V210 HydrophobicContact CD1-CG1 4.24Å; L194-V210 HydrophobicContact CD1-CG2 4.34Å; F201-V210 HydrophobicContact CB-CG2 3.82Å; F201-V210 HydrophobicContact CD1-CG2 4.13Å; F201-V210 HydrophobicContact CD2-CG2 3.62Å; F201-V210 HydrophobicContact CE2-CG2 4.18Å; F201-V210 HydrophobicContact CG-CG2 3.58Å; E206-V210 PolarHBondContact O-N 2.69Å; E206-V210 VanDerWaalsContact O-N 3.08Å; R207-V210 WeakPolarHBondContact O-CB 3.43Å; R207-V210 PolarHBondContact O-N 3.49Å; E208-V210 VanDerWaalsContact C-N 3.32Å; V210-D212 VanDerWaalsContact C-N 3.33Å; V210-D212 PolarHBondContact O-N 2.81Å; V210-I213 PolarHBondContact O-N 3.23Å; V210-K214 WeakPolarHBondContact O-CB 3.2Å; V210-K214 PolarHBondContact O-N 3.06Å
211R97.6Very high96Very high69 Ų6942.4 Ų42.426%0.2622%0.219SC..Hα-helixtrans-60.9-42.2174.1-171.5-174.662744.5111.6T187 R207 E208 I209 K214 E215T187-R211 HydrophobicContact CG2-CB 3.9Å; R207-R211 PolarHBondContact O-N 2.82Å; E208-R211 PolarHBondContact O-N 3.14Å; E208-R211 IonicContact OE2-CZ 3.06Å; E208-R211 IonicContact OE2-NE 3.57Å; E208-R211 PolarHBondContact OE2-NE 3.19Å; E208-R211 IonicContact OE2-NH2 3.59Å; E208-R211 PolarHBondContact OE2-NH2 2.97Å; I209-R211 VanDerWaalsContact C-N 3.32Å; I209-R211 PolarHBondContact O-N 2.85Å; R211-K214 WeakPolarHBondContact O-CB 3.44Å; R211-K214 PolarHBondContact O-N 2.87Å; R211-E215 WeakPolarHBondContact CG-OE1 3.46Å; R211-E215 IonicContact CZ-OE1 3.1Å; R211-E215 IonicContact NH1-OE1 2.83Å; R211-E215 PolarHBondContact NH1-OE1 3.13Å; R211-E215 IonicContact NH1-OE2 2.79Å; R211-E215 PolarHBondContact NH1-OE2 3.41Å; R211-E215 WeakPolarHBondContact O-CG 3.49Å; R211-E215 PolarHBondContact O-N 2.88Å
212D97.9Very high96.2Very high37 Ų3746.1 Ų46.120%0.19824%0.24CC..Hα-helixtrans-67.6-41.7177.8-172.382.8000112.1E208 I209 V210 K214 E215 K216 Y241E208-D212 PolarHBondContact O-N 2.85Å; I209-D212 PolarHBondContact O-N 2.93Å; I209-D212 VanDerWaalsContact O-N 3.16Å; V210-D212 VanDerWaalsContact C-N 3.33Å; V210-D212 PolarHBondContact O-N 2.81Å; D212-K214 VanDerWaalsContact C-N 3.3Å; D212-K214 PolarHBondContact O-N 3.5Å; D212-E215 PolarHBondContact O-N 3.08Å; D212-K216 VanDerWaalsContact CG-NZ 3.28Å; D212-K216 WeakPolarHBondContact O-CB 3.4Å; D212-K216 WeakPolarHBondContact O-CG 3.49Å; D212-K216 PolarHBondContact O-N 3.21Å; D212-K216 WeakPolarHBondContact OD1-CE 3.31Å; D212-K216 IonicContact OD1-NZ 3.24Å; D212-K216 PolarHBondContact OD1-NZ 3.17Å; D212-K216 VanDerWaalsContact OD1-NZ 3.1Å; D212-K216 VanDerWaalsContact OD2-CD 3.23Å; D212-K216 WeakPolarHBondContact OD2-CD 3.45Å; D212-K216 WeakPolarHBondContact OD2-CE 3.43Å; D212-K216 IonicContact OD2-NZ 3.91Å; D212-K216 PolarHBondContact OD2-NZ 3.28Å; D212-Y241 VanDerWaalsContact OD2-CE2 3.29Å; D212-Y241 WeakPolarHBondContact OD2-CE2 3.29Å; D212-Y241 PolarHBondContact OD2-OH 2.92Å
213I98.5Very high96.5Very high0 Ų043.5 Ų43.50%022%0.221CC..Hα-helixtrans-55.4-48171-69.2166.8000110.1L190 L194 F201 I209 V210 E215 K216 L217 Y241 I249 I251L190-I213 HydrophobicContact CD2-CB 4.44Å; L190-I213 HydrophobicContact CD2-CG2 4.06Å; L194-I213 HydrophobicContact CD1-CD1 4.32Å; F201-I213 HydrophobicContact CZ-CD1 4.28Å; I209-I213 HydrophobicContact CG2-CD1 4.14Å; I209-I213 WeakPolarHBondContact O-CG1 3.45Å; I209-I213 PolarHBondContact O-N 3.02Å; V210-I213 PolarHBondContact O-N 3.23Å; I213-E215 PolarHBondContact O-N 3.31Å; I213-K216 PolarHBondContact O-N 2.88Å; I213-L217 HydrophobicContact CG2-CD1 4.35Å; I213-L217 WeakPolarHBondContact O-CB 3.27Å; I213-L217 PolarHBondContact O-N 2.7Å; I213-Y241 HydrophobicContact CD1-CD1 4Å; I213-Y241 HydrophobicContact CD1-CE1 4.18Å; I213-Y241 HydrophobicContact CD1-CG 4.27Å; I213-Y241 HydrophobicContact CG1-CD1 3.76Å; I213-Y241 HydrophobicContact CG1-CD2 3.62Å; I213-Y241 HydrophobicContact CG1-CE1 3.82Å; I213-Y241 HydrophobicContact CG1-CE2 3.65Å; I213-Y241 HydrophobicContact CG1-CG 3.68Å; I213-I249 HydrophobicContact CD1-CD1 4.09Å; I213-I251 HydrophobicContact CD1-CD1 4.34Å; I213-I251 HydrophobicContact CG2-CD1 4.17Å; I213-I251 HydrophobicContact CG2-CG1 4.03Å; I213-I251 HydrophobicContact CG2-CG2 4.35Å
214K98.5Very high96.8Very high7 Ų741.4 Ų41.43%0.0321%0.207CC..Hα-helixtrans-56.8-51.8178.3-177-170.561.5159.70111.1G183 L186 T187 L190 V210 R211 D212 K216 C218 F307G183-K214 PolarHBondContact O-NZ 2.82Å; L186-K214 HydrophobicContact CB-CD 3.97Å; T187-K214 WeakPolarHBondContact OG1-CE 3.36Å; T187-K214 PolarHBondContact OG1-NZ 3.02Å; T187-K214 VanDerWaalsContact OG1-NZ 3.08Å; L190-K214 HydrophobicContact CD2-CB 3.62Å; L190-K214 HydrophobicContact CD2-CG 4.36Å; V210-K214 WeakPolarHBondContact O-CB 3.2Å; V210-K214 PolarHBondContact O-N 3.06Å; R211-K214 WeakPolarHBondContact O-CB 3.44Å; R211-K214 PolarHBondContact O-N 2.87Å; D212-K214 VanDerWaalsContact C-N 3.3Å; D212-K214 PolarHBondContact O-N 3.5Å; K214-K216 PolarHBondContact O-N 3.03Å; K214-C218 WeakPolarHBondContact O-CB 3.35Å; K214-C218 PolarHBondContact O-N 3.2Å; K214-F307 HydrophobicContact CD-CZ 4.09Å; K214-F307 HydrophobicContact CG-CE1 3.89Å; K214-F307 HydrophobicContact CG-CZ 3.85Å
215E98.2Very high97.2Very high114 Ų11443.9 Ų43.953%0.53322%0.217SC..Hα-helixtrans-68.3-34.4-176.4-72.8173.3-160.400113R211 D212 I213R211-E215 WeakPolarHBondContact CG-OE1 3.46Å; R211-E215 IonicContact CZ-OE1 3.1Å; R211-E215 IonicContact NH1-OE1 2.83Å; R211-E215 PolarHBondContact NH1-OE1 3.13Å; R211-E215 IonicContact NH1-OE2 2.79Å; R211-E215 PolarHBondContact NH1-OE2 3.41Å; R211-E215 WeakPolarHBondContact O-CG 3.49Å; R211-E215 PolarHBondContact O-N 2.88Å; D212-E215 PolarHBondContact O-N 3.08Å; I213-E215 PolarHBondContact O-N 3.31Å
216K98.3Very high97.6Very high134 Ų13447.8 Ų47.858%0.58323%0.227SC*.Hα-helixtrans-85.8-36.3-177.8-71.6-177.8-176.3157.30114.2D212 I213 K214 Y241D212-K216 VanDerWaalsContact CG-NZ 3.28Å; D212-K216 WeakPolarHBondContact O-CB 3.4Å; D212-K216 WeakPolarHBondContact O-CG 3.49Å; D212-K216 PolarHBondContact O-N 3.21Å; D212-K216 WeakPolarHBondContact OD1-CE 3.31Å; D212-K216 IonicContact OD1-NZ 3.24Å; D212-K216 PolarHBondContact OD1-NZ 3.17Å; D212-K216 VanDerWaalsContact OD1-NZ 3.1Å; D212-K216 VanDerWaalsContact OD2-CD 3.23Å; D212-K216 WeakPolarHBondContact OD2-CD 3.45Å; D212-K216 WeakPolarHBondContact OD2-CE 3.43Å; D212-K216 IonicContact OD2-NZ 3.91Å; D212-K216 PolarHBondContact OD2-NZ 3.28Å; I213-K216 PolarHBondContact O-N 2.88Å; K214-K216 PolarHBondContact O-N 3.03Å; K216-Y241 HydrophobicContact CD-CE2 4.42Å
217L98.5Very high97.8Very high27 Ų2747 Ų4714%0.14122%0.224CC..Hα-helixtrans-114.9-25.1-165.3-58.5-173.9000114.3I213 K239 Y241 I251 R255I213-L217 HydrophobicContact CG2-CD1 4.35Å; I213-L217 WeakPolarHBondContact O-CB 3.27Å; I213-L217 PolarHBondContact O-N 2.7Å; L217-K239 HydrophobicContact CD1-CB 4.21Å; L217-K239 HydrophobicContact CD2-CB 4.12Å; L217-Y241 HydrophobicContact CD1-CD2 4Å; L217-Y241 HydrophobicContact CD1-CG 4.4Å; L217-I251 HydrophobicContact CD1-CB 4.33Å; L217-I251 HydrophobicContact CD1-CG1 3.85Å; L217-R255 HydrophobicContact CB-CG 4.41Å; L217-R255 VanDerWaalsContact O-CZ 3.31Å; L217-R255 PolarHBondContact O-NE 2.9Å; L217-R255 PolarHBondContact O-NH2 3.13Å
218C98.7Very high97.9Very high3 Ų348.6 Ų48.62%0.0223%0.233CC..  trans-76.7152.8-177.6-680000113K214 R255 P259 F307K214-C218 WeakPolarHBondContact O-CB 3.35Å; K214-C218 PolarHBondContact O-N 3.2Å; C218-R255 CarbonylContact C-O 3.58Å; C218-R255 WeakPolarHBondContact CA-O 3.26Å; C218-R255 WeakPolarHBondContact CB-O 3.36Å; C218-R255 PolarHBondContact SG-O 3.44Å; C218-R255 VanDerWaalsContact SG-O 3.4Å; C218-P259 HydrophobicContact CB-CG 4.32Å; C218-F307 HydrophobicContact CB-CD1 3.96Å; C218-F307 HydrophobicContact CB-CE1 3.66Å
219Y98.7Very high98Very high31 Ų3150.4 Ų50.412%0.12225%0.249CC..  trans-155.5157.3179.566-81.2000110E227 R255 F256 P259Y219-E227 PolarHBondContact OH-OE1 3.24Å; Y219-R255 HydrophobicContact CD1-CB 4.05Å; Y219-R255 HydrophobicContact CE1-CB 3.78Å; Y219-R255 PolarHBondContact N-O 3.04Å; Y219-F256 HydrophobicContact CD2-CB 4.42Å; Y219-F256 HydrophobicContact CE1-CB 4.32Å; Y219-F256 HydrophobicContact CE1-CD1 4.36Å; Y219-F256 HydrophobicContact CE2-CB 4.06Å; Y219-F256 AromaticContact CZ-CD1 3.9Å; Y219-F256 VanDerWaalsContact O-CA 3.23Å; Y219-F256 WeakPolarHBondContact O-CA 3.16Å; Y219-F256 WeakPolarHBondContact O-CB 3.17Å; Y219-F256 WeakPolarHBondContact OH-CD1 3.44Å; Y219-P259 WeakPolarHBondContact O-CG 3.49Å
220V98.7Very high98Very high4 Ų451.5 Ų51.52%0.02426%0.257CS..  trans-91.3124175.7176.60000109.1P259 L263 F307 P308 I310 R313V220-P259 HydrophobicContact CG2-CB 3.84Å; V220-P259 HydrophobicContact CG2-CG 4.2Å; V220-L263 HydrophobicContact CG1-CD1 4.2Å; V220-F307 HydrophobicContact CG2-CB 3.93Å; V220-P308 PolarHBondContact N-O 3.16Å; V220-I310 HydrophobicContact CB-CB 4.34Å; V220-I310 HydrophobicContact CG2-CB 3.95Å; V220-I310 HydrophobicContact CG2-CG1 4.14Å; V220-R313 HydrophobicContact CG1-CB 3.5Å; V220-R313 HydrophobicContact CG1-CG 3.6Å
221A98.4Very high97.9Very high2 Ų252.7 Ų52.72%0.01727%0.267CS..  trans-73.3142.9173.600000111E227 F256 R313A221-E227 HydrophobicContact CB-CB 3.77Å; A221-E227 HydrophobicContact CB-CG 3.87Å; A221-F256 HydrophobicContact CB-CB 4.17Å; A221-F256 HydrophobicContact CB-CD2 4.41Å; A221-F256 HydrophobicContact CB-CG 4.44Å; A221-R313 WeakPolarHBondContact O-CD 3.46Å; A221-R313 PolarHBondContact O-NH1 3.27Å
222L98.4Very high97.8Very high95 Ų9553.5 Ų53.550%0.49728%0.283SS..SBendtrans-70.2-36.2174.8-177.664.2000111.8D312 R313 K316L222-D312 HydrophobicContact CD1-CB 4.27Å; L222-R313 WeakPolarHBondContact O-CD 3.46Å; L222-K316 HydrophobicContact CD1-CB 4.13Å; L222-K316 HydrophobicContact CD1-CD 3.87Å; L222-K316 HydrophobicContact CG-CD 4.23Å; L222-K316 WeakPolarHBondContact O-CD 3.22Å; L222-K316 PolarHBondContact O-NZ 2.92Å
223D98.1Very high97.6Very high56 Ų5659.3 Ų59.330%0.29931%0.308SS..SBendtrans-132.6105.3174.2-165.2-63.3000108.7D225 Q226 E227 K316D223-D225 PolarHBondContact OD1-N 3.38Å; D223-Q226 HydrophobicContact CB-CB 3.93Å; D223-Q226 WeakPolarHBondContact OD1-CB 3.45Å; D223-Q226 PolarHBondContact OD1-N 3.41Å; D223-E227 WeakPolarHBondContact O-CB 3.25Å; D223-E227 PolarHBondContact O-N 3.47Å; D223-K316 IonicContact OD2-NZ 2.66Å; D223-K316 PolarHBondContact OD2-NZ 3.4Å; D223-K316 VanDerWaalsContact OD2-NZ 3.1Å
224F97.9Very high97.3Very high22 Ų2261.5 Ų61.510%0.09632%0.324CS..Hα-helixtrans-63-44.5-172.6176.3-99.4000112.1E227 M228 F256 R257 E260 F267F224-E227 PolarHBondContact O-N 2.88Å; F224-M228 VanDerWaalsContact O-CB 3.31Å; F224-M228 WeakPolarHBondContact O-CB 3.1Å; F224-M228 PolarHBondContact O-N 2.64Å; F224-F256 AromaticContact CD2-CD2 3.98Å; F224-F256 HydrophobicContact CD2-CD2 3.98Å; F224-F256 HydrophobicContact CD2-CE2 4.3Å; F224-F256 AromaticContact CE2-CD2 3.91Å; F224-F256 HydrophobicContact CE2-CD2 3.91Å; F224-F256 HydrophobicContact CE2-CE2 4.06Å; F224-R257 HydrophobicContact CE2-CG 3.9Å; F224-R257 HydrophobicContact CZ-CG 4.05Å; F224-E260 HydrophobicContact CD2-CB 3.85Å; 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 3.71Å; F224-E260 HydrophobicContact CG-CG 3.93Å; F224-E260 HydrophobicContact CZ-CG 4.35Å; 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 4.06Å; F224-F267 AromaticContact CZ-CE2 3.62Å; F224-F267 HydrophobicContact CZ-CE2 3.62Å; F224-F267 AromaticContact CZ-CZ 3.72Å; F224-F267 HydrophobicContact CZ-CZ 3.72Å
225D97.6Very high97Very high121 Ų12165.2 Ų65.265%0.64735%0.351SS*.Hα-helixtrans-68.6-40.4-176.7-66.6-38.2000111.4D223 M228 S229D223-D225 PolarHBondContact OD1-N 3.38Å; D225-M228 PolarHBondContact O-N 2.74Å; D225-S229 WeakPolarHBondContact O-CB 3.46Å; D225-S229 PolarHBondContact O-N 3.35Å
226Q97.5Very high96.8Very high131 Ų13163.5 Ų63.561%0.61235%0.351SS*.Hα-helixtrans-64.2-43.6174.6-174-179.21.300112.1D223 M228 S229 T230D223-Q226 HydrophobicContact CB-CB 3.93Å; D223-Q226 WeakPolarHBondContact OD1-CB 3.45Å; D223-Q226 PolarHBondContact OD1-N 3.41Å; Q226-M228 VanDerWaalsContact C-N 3.32Å; Q226-S229 PolarHBondContact O-N 3.43Å; Q226-T230 PolarHBondContact O-N 3.31Å; Q226-T230 PolarHBondContact O-OG1 2.67Å
227E97.7Very high96.7Very high44 Ų4458.3 Ų58.321%0.20633%0.33CS..Hα-helixtrans-64.7-39.6178.1-160.982.3-162.100110.7Y219 A221 D223 F224 T230 A231 L237 F256Y219-E227 PolarHBondContact OH-OE1 3.24Å; A221-E227 HydrophobicContact CB-CB 3.77Å; A221-E227 HydrophobicContact CB-CG 3.87Å; D223-E227 WeakPolarHBondContact O-CB 3.25Å; D223-E227 PolarHBondContact O-N 3.47Å; F224-E227 PolarHBondContact O-N 2.88Å; E227-T230 PolarHBondContact O-N 2.96Å; E227-A231 WeakPolarHBondContact O-CB 3.47Å; E227-A231 PolarHBondContact O-N 2.83Å; E227-L237 HydrophobicContact CG-CD1 3.96Å; E227-L237 VanDerWaalsContact OE1-CD1 3.29Å; E227-L237 WeakPolarHBondContact OE1-CD1 3.23Å; E227-L237 VanDerWaalsContact OE1-CD2 3.25Å; E227-L237 WeakPolarHBondContact OE1-CD2 3.45Å; E227-F256 HydrophobicContact CB-CD2 4.25Å; E227-F256 HydrophobicContact CB-CE1 4.46Å; E227-F256 HydrophobicContact CB-CE2 4.02Å; E227-F256 HydrophobicContact CB-CZ 4.12Å; E227-F256 HydrophobicContact CG-CD1 3.68Å; E227-F256 HydrophobicContact CG-CD2 4.03Å; E227-F256 HydrophobicContact CG-CE1 3.62Å; E227-F256 HydrophobicContact CG-CE2 3.98Å; E227-F256 HydrophobicContact CG-CG 3.88Å; E227-F256 HydrophobicContact CG-CZ 3.78Å
228M97.4Very high96.6Very high65 Ų6560.6 Ų60.632%0.3234%0.34SS..Hα-helixtrans-63.7-40.9175.2-167.261.9158.400112.4F224 D225 Q226 A231 S232 N253 F256 R257F224-M228 VanDerWaalsContact O-CB 3.31Å; F224-M228 WeakPolarHBondContact O-CB 3.1Å; F224-M228 PolarHBondContact O-N 2.64Å; D225-M228 PolarHBondContact O-N 2.74Å; Q226-M228 VanDerWaalsContact C-N 3.32Å; M228-A231 PolarHBondContact O-N 2.87Å; M228-S232 PolarHBondContact O-N 2.86Å; M228-N253 HydrophobicContact SD-CB 4.16Å; M228-F256 HydrophobicContact CB-CE2 4.28Å; M228-F256 HydrophobicContact SD-CE2 4.21Å; M228-F256 HydrophobicContact SD-CZ 4.25Å; M228-R257 HydrophobicContact SD-CG 4.46Å
229S97.4Very high96.6Very high65 Ų6565.4 Ų65.446%0.45536%0.36SS..Hα-helixtrans-64.1-39.7172.9-1750000112.1D225 Q226 S232 H233D225-S229 WeakPolarHBondContact O-CB 3.46Å; D225-S229 PolarHBondContact O-N 3.35Å; Q226-S229 PolarHBondContact O-N 3.43Å; S229-S232 PolarHBondContact O-N 3.28Å; S229-S232 PolarHBondContact O-OG 3.45Å; S229-H233 PolarHBondContact O-ND1 2.86Å
230T96.8Very high96.5Very high55 Ų5567.8 Ų67.834%0.33738%0.382SS..Hα-helixtrans-65.7-43.5176.5-57.20000111.1Q226 E227 S232 H233 S234 L237Q226-T230 PolarHBondContact O-N 3.31Å; Q226-T230 PolarHBondContact O-OG1 2.67Å; E227-T230 PolarHBondContact O-N 2.96Å; T230-S232 VanDerWaalsContact C-N 3.26Å; T230-S232 PolarHBondContact O-N 2.79Å; T230-H233 PolarHBondContact O-N 2.92Å; T230-S234 WeakPolarHBondContact O-CB 3.5Å; T230-S234 PolarHBondContact O-N 3.08Å; T230-L237 HydrophobicContact CG2-CD1 3.99Å; T230-L237 HydrophobicContact CG2-CG 4.37Å
231A95.3Very high96.5Very high24 Ų2469 Ų6920%0.19839%0.386CS..Hα-helixtrans-65.2-26.1179.900000113.7E227 M228 L237 N253 F256E227-A231 WeakPolarHBondContact O-CB 3.47Å; E227-A231 PolarHBondContact O-N 2.83Å; M228-A231 PolarHBondContact O-N 2.87Å; A231-L237 HydrophobicContact CB-CD1 3.97Å; A231-N253 HydrophobicContact CB-CB 3.92Å; A231-F256 HydrophobicContact CB-CE1 4.01Å; A231-F256 HydrophobicContact CB-CZ 3.87Å
232S94.7Very high96.5Very high86 Ų8675.4 Ų75.460%0.60142%0.416SS*.Hα-helixtrans-78.3-20.7176.964.30000113.5M228 S229 T230M228-S232 PolarHBondContact O-N 2.86Å; S229-S232 PolarHBondContact O-N 3.28Å; S229-S232 PolarHBondContact O-OG 3.45Å; T230-S232 VanDerWaalsContact C-N 3.26Å; T230-S232 PolarHBondContact O-N 2.79Å
233H93.8Very high96.3Very high159 Ų15971.9 Ų71.974%0.73640%0.397SS*.Hα-helixtrans-110.8-15.4-177.9-61.988.4000114S229 T230S229-H233 PolarHBondContact O-ND1 2.86Å; T230-H233 PolarHBondContact O-N 2.92Å
234S92.4Very high96.1Very high47 Ų4774.4 Ų74.433%0.32942%0.417SS..  trans-138.7136.6-173.1-178.20000112T230 S236T230-S234 WeakPolarHBondContact O-CB 3.5Å; T230-S234 PolarHBondContact O-N 3.08Å; S234-S236 PolarHBondContact O-N 3.27Å; S234-S236 WeakPolarHBondContact OG-CB 3.49Å; S234-S236 PolarHBondContact OG-N 3.23Å; S234-S236 PolarHBondContact OG-OG 3.06Å
235S93.3Very high95.9Very high84 Ų8479 Ų7959%0.58744%0.442SS*.G310 helixtrans-82.43169.357.50000113.3L237 E238S235-L237 PolarHBondContact O-N 3.5Å; S235-L237 VanDerWaalsContact O-N 3.09Å; S235-E238 WeakPolarHBondContact CB-OE2 3.46Å; S235-E238 WeakPolarHBondContact O-CB 3.43Å; S235-E238 PolarHBondContact O-N 3.11Å
236S94.3Very high95.8Very high78 Ų7875.2 Ų75.255%0.54543%0.431SS..G310 helixtrans-60-22.9-178.559.50000114.1S234S234-S236 PolarHBondContact O-N 3.27Å; S234-S236 WeakPolarHBondContact OG-CB 3.49Å; S234-S236 PolarHBondContact OG-N 3.23Å; S234-S236 PolarHBondContact OG-OG 3.06Å
237L95.1Very high95.7Very high26 Ų2674 Ų7414%0.13643%0.426CS..G310 helixtrans-89.9-7.8178.5-57.4-179.2000112.8E227 T230 A231 S235 R255 F256E227-L237 HydrophobicContact CG-CD1 3.96Å; E227-L237 VanDerWaalsContact OE1-CD1 3.29Å; E227-L237 WeakPolarHBondContact OE1-CD1 3.23Å; E227-L237 VanDerWaalsContact OE1-CD2 3.25Å; E227-L237 WeakPolarHBondContact OE1-CD2 3.45Å; T230-L237 HydrophobicContact CG2-CD1 3.99Å; T230-L237 HydrophobicContact CG2-CG 4.37Å; A231-L237 HydrophobicContact CB-CD1 3.97Å; S235-L237 PolarHBondContact O-N 3.5Å; S235-L237 VanDerWaalsContact O-N 3.09Å; L237-R255 PolarHBondContact O-NH1 3.45Å; L237-F256 HydrophobicContact CD1-CE1 4.12Å
238E96.9Very high95.7Very high74 Ų7476 Ų7635%0.34644%0.441SS..  trans-74.7146.5179.7-59.7-169.5141.500111.8R197 S235 T250 I251R197-E238 IonicContact CZ-OE1 2.72Å; R197-E238 IonicContact NH1-OE1 3.41Å; R197-E238 IonicContact NH2-OE1 3.98Å; R197-E238 PolarHBondContact NH2-OE1 3.34Å; S235-E238 WeakPolarHBondContact CB-OE2 3.46Å; S235-E238 WeakPolarHBondContact O-CB 3.43Å; S235-E238 PolarHBondContact O-N 3.11Å; E238-T250 HydrophobicContact CB-CG2 3.74Å; E238-T250 HydrophobicContact CG-CG2 4.15Å; E238-I251 CarbonylContact C-O 3.52Å; E238-I251 WeakPolarHBondContact CA-O 3.49Å
239K97.8Very high95.6Very high104 Ų10473 Ų7345%0.45243%0.426SS..EExtended strand (participates in β ladder)trans-133.5140.7171.4-68.1-65.6178-171.60110.1L217 I251L217-K239 HydrophobicContact CD1-CB 4.21Å; L217-K239 HydrophobicContact CD2-CB 4.12Å; K239-I251 PolarHBondContact N-O 2.69Å; K239-I251 PolarHBondContact O-N 2.95Å
240S97.4Very high95.6Very high82 Ų8272.1 Ų72.157%0.57342%0.418SS*.EExtended strand (participates in β ladder)trans-82.4146.3172.1-58.50000110.7I249S240-I249 CarbonylContact C-O 3.56Å; S240-I249 VanDerWaalsContact CA-O 3.29Å; S240-I249 WeakPolarHBondContact CA-O 3.4Å
241Y98Very high95.7Very high29 Ų2969.5 Ų69.511%0.11440%0.402CS..EExtended strand (participates in β ladder)trans-132.8131.9173.6-176.6-86.7000108.9I209 D212 I213 K216 L217 L243 V248 I249I209-Y241 HydrophobicContact CG2-CE1 3.72Å; D212-Y241 VanDerWaalsContact OD2-CE2 3.29Å; D212-Y241 WeakPolarHBondContact OD2-CE2 3.29Å; D212-Y241 PolarHBondContact OD2-OH 2.92Å; I213-Y241 HydrophobicContact CD1-CD1 4Å; I213-Y241 HydrophobicContact CD1-CE1 4.18Å; I213-Y241 HydrophobicContact CD1-CG 4.27Å; I213-Y241 HydrophobicContact CG1-CD1 3.76Å; I213-Y241 HydrophobicContact CG1-CD2 3.62Å; I213-Y241 HydrophobicContact CG1-CE1 3.82Å; I213-Y241 HydrophobicContact CG1-CE2 3.65Å; I213-Y241 HydrophobicContact CG1-CG 3.68Å; K216-Y241 HydrophobicContact CD-CE2 4.42Å; L217-Y241 HydrophobicContact CD1-CD2 4Å; L217-Y241 HydrophobicContact CD1-CG 4.4Å; Y241-L243 HydrophobicContact CD1-CD2 4.04Å; Y241-L243 HydrophobicContact CE1-CD2 4.03Å; Y241-V248 WeakPolarHBondContact O-CA 3.48Å; Y241-I249 HydrophobicContact CD1-CG1 4.42Å; Y241-I249 PolarHBondContact N-O 2.92Å; Y241-I249 PolarHBondContact O-N 3.34Å
242E97.9Very high95.7Very high137 Ų13768.5 Ų68.564%0.6439%0.394SS*.EExtended strand (participates in β ladder)trans-92.3118.1177.8-171.3177.616400109.9V248E242-V248 HydrophobicContact CB-CG2 4.44Å; E242-V248 HydrophobicContact CG-CG2 4.36Å
243L96.2Very high95.9Very high20 Ų2066.1 Ų66.111%0.10538%0.375CS..  trans-72158.1174.7-64.3179.4000110.6F201 I209 Y241 D245 G246 Q247 I249F201-L243 HydrophobicContact CE1-CD2 3.93Å; F201-L243 HydrophobicContact CZ-CD2 4.11Å; I209-L243 HydrophobicContact CG2-CD2 3.68Å; Y241-L243 HydrophobicContact CD1-CD2 4.04Å; Y241-L243 HydrophobicContact CE1-CD2 4.03Å; L243-D245 VanDerWaalsContact CB-OD1 3.22Å; L243-D245 WeakPolarHBondContact CB-OD1 3.38Å; L243-D245 PolarHBondContact O-N 3.42Å; L243-G246 PolarHBondContact O-N 2.86Å; L243-Q247 HydrophobicContact CB-CB 4.4Å; L243-Q247 VanDerWaalsContact CB-O 3.29Å; L243-Q247 WeakPolarHBondContact CB-O 3.3Å; L243-Q247 HydrophobicContact CD1-CB 4.14Å; L243-Q247 HydrophobicContact CD1-CG 4.32Å; L243-Q247 WeakPolarHBondContact CG-O 3.44Å; L243-Q247 PolarHBondContact N-O 2.78Å; L243-I249 HydrophobicContact CD1-CD1 4.49Å; L243-I249 HydrophobicContact CD1-CG2 3.79Å; L243-I249 HydrophobicContact CD2-CD1 3.91Å; L243-I249 HydrophobicContact CD2-CG1 4.39Å; L243-I249 HydrophobicContact CG-CD1 4.31Å; L243-I249 HydrophobicContact CG-CG1 4.34Å; L243-I249 HydrophobicContact CG-CG2 4.25Å
244P93.3Very high96.1Very high110 Ų11058.9 Ų58.971%0.71434%0.341SS*.THydrogen-bonded Turntrans-58.9-18.7-179.4-26.535.9000115.7I209 G246I209-P244 HydrophobicContact CD1-CG 3.86Å; I209-P244 HydrophobicContact CG1-CG 4.23Å; P244-G246 VanDerWaalsContact C-N 3.33Å
245D93.5Very high96.3Very high118 Ų11858.2 Ų58.263%0.63133%0.332SS*.THydrogen-bonded Turntrans-88.61.8175.163.3-0.5000113.5L243 Q247L243-D245 VanDerWaalsContact CB-OD1 3.22Å; L243-D245 WeakPolarHBondContact CB-OD1 3.38Å; L243-D245 PolarHBondContact O-N 3.42Å; D245-Q247 VanDerWaalsContact C-N 3.34Å; D245-Q247 VanDerWaalsContact OD1-CB 3.27Å; D245-Q247 WeakPolarHBondContact OD1-CB 3.3Å; D245-Q247 PolarHBondContact OD1-N 3.22Å
246G95.1Very high96.6Very high41 Ų4154.2 Ų54.242%0.42330%0.304SS..SBendtrans86.2-2.5-177.500000114.2L243 P244 V248L243-G246 PolarHBondContact O-N 2.86Å; P244-G246 VanDerWaalsContact C-N 3.33Å; G246-V248 PolarHBondContact O-N 3.37Å
247Q95.7Very high96.8Very high106 Ų10652.7 Ų52.750%0.49529%0.286SS..  trans-69.9128.3175.3-179.7179.73.200110.2L243 D245 I249L243-Q247 HydrophobicContact CB-CB 4.4Å; L243-Q247 VanDerWaalsContact CB-O 3.29Å; L243-Q247 WeakPolarHBondContact CB-O 3.3Å; L243-Q247 HydrophobicContact CD1-CB 4.14Å; L243-Q247 HydrophobicContact CD1-CG 4.32Å; L243-Q247 WeakPolarHBondContact CG-O 3.44Å; L243-Q247 PolarHBondContact N-O 2.78Å; D245-Q247 VanDerWaalsContact C-N 3.34Å; D245-Q247 VanDerWaalsContact OD1-CB 3.27Å; D245-Q247 WeakPolarHBondContact OD1-CB 3.3Å; D245-Q247 PolarHBondContact OD1-N 3.22Å; Q247-I249 HydrophobicContact CG-CG2 4.35Å
248V97.2Very high96.9Very high86 Ų8651.5 Ų51.552%0.52128%0.279SS..EExtended strand (participates in β ladder)trans-93.9123.8174.9-177.60000109.9Y241 E242 G246Y241-V248 WeakPolarHBondContact O-CA 3.48Å; E242-V248 HydrophobicContact CB-CG2 4.44Å; E242-V248 HydrophobicContact CG-CG2 4.36Å; G246-V248 PolarHBondContact O-N 3.37Å
249I96.7Very high97Very high3 Ų348 Ų482%0.01526%0.263CS..EExtended strand (participates in β ladder)trans-111.2157174.862.7171000110.8F201 I213 S240 Y241 L243 Q247 I251F201-I249 HydrophobicContact CE2-CD1 4.48Å; F201-I249 HydrophobicContact CZ-CD1 3.83Å; I213-I249 HydrophobicContact CD1-CD1 4.09Å; S240-I249 CarbonylContact C-O 3.56Å; S240-I249 VanDerWaalsContact CA-O 3.29Å; S240-I249 WeakPolarHBondContact CA-O 3.4Å; Y241-I249 HydrophobicContact CD1-CG1 4.42Å; Y241-I249 PolarHBondContact N-O 2.92Å; Y241-I249 PolarHBondContact O-N 3.34Å; L243-I249 HydrophobicContact CD1-CD1 4.49Å; L243-I249 HydrophobicContact CD1-CG2 3.79Å; L243-I249 HydrophobicContact CD2-CD1 3.91Å; L243-I249 HydrophobicContact CD2-CG1 4.39Å; L243-I249 HydrophobicContact CG-CD1 4.31Å; L243-I249 HydrophobicContact CG-CG1 4.34Å; L243-I249 HydrophobicContact CG-CG2 4.25Å; Q247-I249 HydrophobicContact CG-CG2 4.35Å; I249-I251 HydrophobicContact CD1-CD1 3.73Å; I249-I251 HydrophobicContact CG1-CD1 4.01Å
250T96.9Very high97Very high46 Ų4643 Ų4328%0.28224%0.241SC..EExtended strand (participates in β ladder)trans-110.5123.9-179.6-60.20000110.1R197 E238R197-T250 PolarHBondContact NE-O 2.97Å; E238-T250 HydrophobicContact CB-CG2 3.74Å; E238-T250 HydrophobicContact CG-CG2 4.15Å
251I97.8Very high97.1Very high0 Ų039.1 Ų39.10%021%0.214CC..EExtended strand (participates in β ladder)trans-105.8121.8176.9-39.8-60.7000108L194 I213 L217 E238 K239 I249 E254 R255L194-I251 HydrophobicContact CD2-CD1 3.67Å; L194-I251 HydrophobicContact CD2-CG2 4.23Å; I213-I251 HydrophobicContact CD1-CD1 4.34Å; I213-I251 HydrophobicContact CG2-CD1 4.17Å; I213-I251 HydrophobicContact CG2-CG1 4.03Å; I213-I251 HydrophobicContact CG2-CG2 4.35Å; L217-I251 HydrophobicContact CD1-CB 4.33Å; L217-I251 HydrophobicContact CD1-CG1 3.85Å; E238-I251 CarbonylContact C-O 3.52Å; E238-I251 WeakPolarHBondContact CA-O 3.49Å; K239-I251 PolarHBondContact N-O 2.69Å; K239-I251 PolarHBondContact O-N 2.95Å; I249-I251 HydrophobicContact CD1-CD1 3.73Å; I249-I251 HydrophobicContact CG1-CD1 4.01Å; I251-E254 HydrophobicContact CG2-CB 4.07Å; I251-R255 HydrophobicContact CB-CG 4.17Å; I251-R255 HydrophobicContact CG2-CG 3.66Å; I251-R255 WeakPolarHBondContact O-CD 3.49Å
252G96.9Very high97.1Very high3 Ų337.8 Ų37.83%0.03121%0.209CC..  trans-111.1-114.6-17700000112.1R197 E254 R255R197-G252 VanDerWaalsContact NH1-CA 3.28Å; R197-G252 VanDerWaalsContact NH1-N 3.15Å; G252-E254 VanDerWaalsContact CA-OE2 3.3Å; G252-E254 WeakPolarHBondContact CA-OE2 3.41Å; G252-E254 PolarHBondContact N-OE2 3.32Å; G252-E254 PolarHBondContact O-N 3.47Å; G252-E254 VanDerWaalsContact O-N 3.15Å; G252-R255 VanDerWaalsContact O-CB 3.3Å; G252-R255 WeakPolarHBondContact O-CB 3.22Å; G252-R255 WeakPolarHBondContact O-CG 3.46Å; G252-R255 PolarHBondContact O-N 2.9Å; G252-R255 VanDerWaalsContact O-N 3.12Å
253N97.3Very high97.1Very high36 Ų3631.5 Ų31.519%0.19318%0.18CC..THydrogen-bonded Turntrans-66.2-15.4-175.767.927.6000113.7M228 A231 R255 F256 R257M228-N253 HydrophobicContact SD-CB 4.16Å; A231-N253 HydrophobicContact CB-CB 3.92Å; N253-R255 PolarHBondContact O-N 3.29Å; N253-R255 VanDerWaalsContact O-N 3.14Å; N253-F256 HydrophobicContact CB-CE1 3.73Å; N253-F256 HydrophobicContact CB-CE2 4.34Å; N253-F256 HydrophobicContact CB-CZ 3.55Å; N253-F256 PolarHBondContact O-N 2.71Å; N253-R257 HydrophobicContact CB-CG 4.47Å; N253-R257 VanDerWaalsContact CG-CD 3.47Å; N253-R257 WeakPolarHBondContact O-CB 3.32Å; N253-R257 VanDerWaalsContact O-CG 3.27Å; N253-R257 WeakPolarHBondContact O-CG 3.42Å; N253-R257 PolarHBondContact O-N 3.11Å; N253-R257 WeakPolarHBondContact OD1-CD 3.38Å; N253-R257 PolarHBondContact OD1-NH1 2.92Å; N253-R257 VanDerWaalsContact OD1-NH1 3.12Å
254E97.8Very high97.2Very high7 Ų734 Ų343%0.03319%0.191CC..Hα-helixtrans-56.9-28.7172.8-5680.8-173.800111.5L190 I193 L194 R197 I251 G252 F256 C258L190-E254 HydrophobicContact CD1-CB 3.82Å; I193-E254 HydrophobicContact CB-CG 4.29Å; I193-E254 HydrophobicContact CD1-CB 3.73Å; I193-E254 HydrophobicContact CD1-CG 3.95Å; I193-E254 HydrophobicContact CG1-CB 4.01Å; I193-E254 HydrophobicContact CG1-CG 3.79Å; L194-E254 HydrophobicContact CD2-CB 4.37Å; L194-E254 HydrophobicContact CD2-CG 4.13Å; R197-E254 WeakPolarHBondContact CD-OE1 3.47Å; R197-E254 IonicContact NH1-OE1 2.74Å; R197-E254 IonicContact NH1-OE2 3.77Å; R197-E254 PolarHBondContact NH1-OE2 3.45Å; I251-E254 HydrophobicContact CG2-CB 4.07Å; G252-E254 VanDerWaalsContact CA-OE2 3.3Å; G252-E254 WeakPolarHBondContact CA-OE2 3.41Å; G252-E254 PolarHBondContact N-OE2 3.32Å; G252-E254 PolarHBondContact O-N 3.47Å; G252-E254 VanDerWaalsContact O-N 3.15Å; E254-F256 VanDerWaalsContact C-N 3.32Å; E254-F256 PolarHBondContact O-N 2.91Å; E254-C258 VanDerWaalsContact O-CB 3.24Å; E254-C258 WeakPolarHBondContact O-CB 3.13Å; E254-C258 PolarHBondContact O-N 3.29Å; E254-C258 VanDerWaalsContact O-N 3.08Å
255R98.4Very high97.4Very high33 Ų3329 Ų2913%0.12516%0.158CC..Hα-helixtrans-57.6-40.5178.3-64.3177.965.8-137.1-10.9112.7L217 C218 Y219 L237 I251 G252 N253 P259L217-R255 HydrophobicContact CB-CG 4.41Å; L217-R255 VanDerWaalsContact O-CZ 3.31Å; L217-R255 PolarHBondContact O-NE 2.9Å; L217-R255 PolarHBondContact O-NH2 3.13Å; C218-R255 CarbonylContact C-O 3.58Å; C218-R255 WeakPolarHBondContact CA-O 3.26Å; C218-R255 WeakPolarHBondContact CB-O 3.36Å; C218-R255 PolarHBondContact SG-O 3.44Å; C218-R255 VanDerWaalsContact SG-O 3.4Å; Y219-R255 HydrophobicContact CD1-CB 4.05Å; Y219-R255 HydrophobicContact CE1-CB 3.78Å; Y219-R255 PolarHBondContact N-O 3.04Å; L237-R255 PolarHBondContact O-NH1 3.45Å; I251-R255 HydrophobicContact CB-CG 4.17Å; I251-R255 HydrophobicContact CG2-CG 3.66Å; I251-R255 WeakPolarHBondContact O-CD 3.49Å; G252-R255 VanDerWaalsContact O-CB 3.3Å; G252-R255 WeakPolarHBondContact O-CB 3.22Å; G252-R255 WeakPolarHBondContact O-CG 3.46Å; G252-R255 PolarHBondContact O-N 2.9Å; G252-R255 VanDerWaalsContact O-N 3.12Å; N253-R255 PolarHBondContact O-N 3.29Å; N253-R255 VanDerWaalsContact O-N 3.14Å; R255-P259 WeakPolarHBondContact O-CD 3.44Å
256F98.4Very high97.6Very high0 Ų027.3 Ų27.30%016%0.156CC..Hα-helixtrans-107-23179.162.8-95.6000114Y219 A221 F224 E227 M228 A231 L237 N253 E254 P259 E260Y219-F256 HydrophobicContact CD2-CB 4.42Å; Y219-F256 HydrophobicContact CE1-CB 4.32Å; Y219-F256 HydrophobicContact CE1-CD1 4.36Å; Y219-F256 HydrophobicContact CE2-CB 4.06Å; Y219-F256 AromaticContact CZ-CD1 3.9Å; Y219-F256 VanDerWaalsContact O-CA 3.23Å; Y219-F256 WeakPolarHBondContact O-CA 3.16Å; Y219-F256 WeakPolarHBondContact O-CB 3.17Å; Y219-F256 WeakPolarHBondContact OH-CD1 3.44Å; A221-F256 HydrophobicContact CB-CB 4.17Å; A221-F256 HydrophobicContact CB-CD2 4.41Å; A221-F256 HydrophobicContact CB-CG 4.44Å; F224-F256 AromaticContact CD2-CD2 3.98Å; F224-F256 HydrophobicContact CD2-CD2 3.98Å; F224-F256 HydrophobicContact CD2-CE2 4.3Å; F224-F256 AromaticContact CE2-CD2 3.91Å; F224-F256 HydrophobicContact CE2-CD2 3.91Å; F224-F256 HydrophobicContact CE2-CE2 4.06Å; E227-F256 HydrophobicContact CB-CD2 4.25Å; E227-F256 HydrophobicContact CB-CE1 4.46Å; E227-F256 HydrophobicContact CB-CE2 4.02Å; E227-F256 HydrophobicContact CB-CZ 4.12Å; E227-F256 HydrophobicContact CG-CD1 3.68Å; E227-F256 HydrophobicContact CG-CD2 4.03Å; E227-F256 HydrophobicContact CG-CE1 3.62Å; E227-F256 HydrophobicContact CG-CE2 3.98Å; E227-F256 HydrophobicContact CG-CG 3.88Å; E227-F256 HydrophobicContact CG-CZ 3.78Å; M228-F256 HydrophobicContact CB-CE2 4.28Å; M228-F256 HydrophobicContact SD-CE2 4.21Å; M228-F256 HydrophobicContact SD-CZ 4.25Å; A231-F256 HydrophobicContact CB-CE1 4.01Å; A231-F256 HydrophobicContact CB-CZ 3.87Å; L237-F256 HydrophobicContact CD1-CE1 4.12Å; N253-F256 HydrophobicContact CB-CE1 3.73Å; N253-F256 HydrophobicContact CB-CE2 4.34Å; N253-F256 HydrophobicContact CB-CZ 3.55Å; N253-F256 PolarHBondContact O-N 2.71Å; E254-F256 VanDerWaalsContact C-N 3.32Å; E254-F256 PolarHBondContact O-N 2.91Å; F256-P259 WeakPolarHBondContact O-CD 3.47Å; F256-E260 WeakPolarHBondContact O-CB 3.3Å; F256-E260 PolarHBondContact O-N 2.79Å
257R97.9Very high97.6Very high46 Ų4628.3 Ų28.317%0.17415%0.149CC..Hα-helixtrans-64.6-40.1172-73.1172.367.6-156.8-2.8112.8Y189 I193 E196 F224 M228 N253 E260Y189-R257 WeakPolarHBondContact CE1-O 3.33Å; I193-R257 HydrophobicContact CD1-CB 4.3Å; E196-R257 IonicContact OE2-NH2 3.2Å; F224-R257 HydrophobicContact CE2-CG 3.9Å; F224-R257 HydrophobicContact CZ-CG 4.05Å; M228-R257 HydrophobicContact SD-CG 4.46Å; N253-R257 HydrophobicContact CB-CG 4.47Å; N253-R257 VanDerWaalsContact CG-CD 3.47Å; N253-R257 WeakPolarHBondContact O-CB 3.32Å; N253-R257 VanDerWaalsContact O-CG 3.27Å; N253-R257 WeakPolarHBondContact O-CG 3.42Å; N253-R257 PolarHBondContact O-N 3.11Å; N253-R257 WeakPolarHBondContact OD1-CD 3.38Å; N253-R257 PolarHBondContact OD1-NH1 2.92Å; N253-R257 VanDerWaalsContact OD1-NH1 3.12Å; R257-E260 WeakPolarHBondContact O-CB 3.29Å; R257-E260 PolarHBondContact O-N 3.45Å
258C98.6Very high97.5Very high0 Ų025.8 Ų25.80%014%0.138CC..Hα-helixtrans-57.2-60.7179.81700000112.2L186 Y189 L190 I193 E254 E260 A261L186-C258 WeakPolarHBondContact CD2-O 3.45Å; L186-C258 PolarHBondContact O-SG 3Å; Y189-C258 HydrophobicContact CD1-CB 4.48Å; L190-C258 HydrophobicContact CB-CB 4.28Å; L190-C258 HydrophobicContact CD1-CB 4Å; I193-C258 HydrophobicContact CD1-CB 4.17Å; E254-C258 VanDerWaalsContact O-CB 3.24Å; E254-C258 WeakPolarHBondContact O-CB 3.13Å; E254-C258 PolarHBondContact O-N 3.29Å; E254-C258 VanDerWaalsContact O-N 3.08Å; C258-E260 VanDerWaalsContact C-N 3.26Å; C258-E260 PolarHBondContact O-N 3.5Å; C258-A261 WeakPolarHBondContact O-CB 2.96Å; C258-A261 PolarHBondContact O-N 2.76Å
259P98.4Very high97.4Very high0 Ų024.9 Ų24.90%015%0.146CC..Hα-helixtrans-71.4-18.5-178.430.3-37.5000113.6C218 Y219 V220 R255 F256 A261 M262 F307C218-P259 HydrophobicContact CB-CG 4.32Å; Y219-P259 WeakPolarHBondContact O-CG 3.49Å; V220-P259 HydrophobicContact CG2-CB 3.84Å; V220-P259 HydrophobicContact CG2-CG 4.2Å; R255-P259 WeakPolarHBondContact O-CD 3.44Å; F256-P259 WeakPolarHBondContact O-CD 3.47Å; P259-A261 PolarHBondContact O-N 3.19Å; P259-A261 VanDerWaalsContact O-N 3.17Å; P259-M262 WeakPolarHBondContact O-CB 3.3Å; P259-M262 WeakPolarHBondContact O-CG 3.2Å; P259-M262 PolarHBondContact O-N 3.01Å; P259-F307 HydrophobicContact CB-CD1 4.2Å; P259-F307 HydrophobicContact CB-CD2 3.76Å; P259-F307 HydrophobicContact CB-CE1 4.26Å; P259-F307 HydrophobicContact CB-CE2 3.84Å; P259-F307 HydrophobicContact CB-CG 3.97Å; P259-F307 HydrophobicContact CB-CZ 4.08Å; P259-F307 HydrophobicContact CG-CD1 4.49Å
260E98.6Very high97.4Very high0 Ų027.3 Ų27.30%016%0.158CC..Hα-helixtrans-55.6-30.8171.2-172.963.1-156.800111.7F224 F256 R257 C258 M262 L263 Q264 F267 R313F224-E260 HydrophobicContact CD2-CB 3.85Å; 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 3.71Å; F224-E260 HydrophobicContact CG-CG 3.93Å; F224-E260 HydrophobicContact CZ-CG 4.35Å; F256-E260 WeakPolarHBondContact O-CB 3.3Å; F256-E260 PolarHBondContact O-N 2.79Å; R257-E260 WeakPolarHBondContact O-CB 3.29Å; R257-E260 PolarHBondContact O-N 3.45Å; C258-E260 VanDerWaalsContact C-N 3.26Å; C258-E260 PolarHBondContact O-N 3.5Å; E260-M262 PolarHBondContact O-N 3.46Å; E260-L263 CarbonylContact O-C 3.15Å; E260-L263 WeakPolarHBondContact O-CA 3.43Å; E260-L263 PolarHBondContact O-N 3.32Å; E260-Q264 HydrophobicContact CG-CB 4.49Å; E260-Q264 HydrophobicContact CG-CG 4.38Å; E260-Q264 PolarHBondContact O-N 2.91Å; E260-F267 HydrophobicContact CB-CD2 4.33Å; E260-F267 HydrophobicContact CB-CE2 3.98Å; E260-F267 HydrophobicContact CG-CD2 4.26Å; E260-F267 HydrophobicContact CG-CE2 3.61Å; E260-F267 HydrophobicContact CG-CZ 4.33Å; E260-R313 IonicContact OE1-CZ 2.64Å; E260-R313 IonicContact OE1-NH1 3.17Å; E260-R313 PolarHBondContact OE1-NH1 3.18Å; E260-R313 IonicContact OE1-NH2 3.32Å; E260-R313 PolarHBondContact OE1-NH2 3.09Å; E260-R313 IonicContact OE2-CZ 3Å; E260-R313 IonicContact OE2-NH1 2.73Å; E260-R313 PolarHBondContact OE2-NH1 3.32Å; E260-R313 IonicContact OE2-NH2 2.9Å
261A98.2Very high97.3Very high0 Ų034.9 Ų34.90%019%0.19CC..THydrogen-bonded Turntrans-59.9-21.4178.700000113.4L181 L186 Y189 C258 P259 L263 Q264 P265 F267 L268L181-A261 WeakPolarHBondContact CD2-O 3.39Å; L186-A261 HydrophobicContact CD2-CB 3.98Å; Y189-A261 HydrophobicContact CD1-CB 4.02Å; Y189-A261 HydrophobicContact CE1-CB 4.07Å; C258-A261 WeakPolarHBondContact O-CB 2.96Å; C258-A261 PolarHBondContact O-N 2.76Å; P259-A261 PolarHBondContact O-N 3.19Å; P259-A261 VanDerWaalsContact O-N 3.17Å; A261-L263 VanDerWaalsContact C-N 3.29Å; A261-Q264 CarbonylContact O-C 3.52Å; A261-Q264 VanDerWaalsContact O-C 3.26Å; A261-P265 VanDerWaalsContact O-CA 3.28Å; A261-P265 WeakPolarHBondContact O-CA 3.33Å; A261-P265 VanDerWaalsContact O-N 3.15Å; A261-F267 HydrophobicContact CB-CB 4.1Å; A261-L268 HydrophobicContact CB-CD1 3.56Å; A261-L268 HydrophobicContact CB-CG 4.04Å
262M98.3Very high97.1Very high1 Ų137.1 Ų37.11%0.00521%0.206CC..THydrogen-bonded Turntrans-67.5-31171-60.8178.871.500112.5S156 L186 P259 E260 G274 I275 F307 I310S156-M262 VanDerWaalsContact OG-CE 3.31Å; S156-M262 WeakPolarHBondContact OG-CE 3.25Å; L186-M262 HydrophobicContact CD1-CG 3.66Å; L186-M262 HydrophobicContact CD1-SD 3.67Å; L186-M262 HydrophobicContact CD2-CG 3.98Å; L186-M262 HydrophobicContact CG-CG 4.32Å; P259-M262 WeakPolarHBondContact O-CB 3.3Å; P259-M262 WeakPolarHBondContact O-CG 3.2Å; P259-M262 PolarHBondContact O-N 3.01Å; E260-M262 PolarHBondContact O-N 3.46Å; M262-G274 CarbonylContact O-C 3.52Å; M262-G274 VanDerWaalsContact O-CA 3.26Å; M262-G274 WeakPolarHBondContact O-CA 3.37Å; M262-I275 HydrophobicContact CB-CD1 4.19Å; M262-I275 HydrophobicContact CB-CG1 4.26Å; M262-I275 HydrophobicContact CB-CG2 4.43Å; M262-I275 HydrophobicContact CE-CD1 4.08Å; M262-I275 HydrophobicContact CE-CG2 4.42Å; M262-I275 WeakPolarHBondContact O-CG1 3.49Å; M262-I275 PolarHBondContact O-N 3.08Å; M262-F307 HydrophobicContact SD-CD2 4.09Å; M262-F307 HydrophobicContact SD-CE2 3.94Å; M262-I310 HydrophobicContact CE-CD1 4.43Å
263L98.5Very high97.1Very high6 Ų639.3 Ų39.33%0.03122%0.22CC..THydrogen-bonded Turntrans-92-31.3176.4-61.998.5000111.2V220 E260 A261 P265 G274 I275 H276 R313 E317V220-L263 HydrophobicContact CG1-CD1 4.2Å; E260-L263 CarbonylContact O-C 3.15Å; E260-L263 WeakPolarHBondContact O-CA 3.43Å; E260-L263 PolarHBondContact O-N 3.32Å; A261-L263 VanDerWaalsContact C-N 3.29Å; L263-P265 WeakPolarHBondContact O-CD 3.35Å; L263-G274 WeakPolarHBondContact O-CA 3.46Å; L263-I275 HydrophobicContact CG-CG1 4.36Å; L263-H276 PolarHBondContact O-CE1 2.89Å; L263-R313 HydrophobicContact CD2-CG 3.53Å; L263-E317 HydrophobicContact CD2-CG 4.06Å
264Q97.8Very high97.2Very high73 Ų7337.7 Ų37.734%0.34121%0.212SC..  trans-124.877178.8-61.9-173.3-27.300110.8E260 A261 S266 F267E260-Q264 HydrophobicContact CG-CB 4.49Å; E260-Q264 HydrophobicContact CG-CG 4.38Å; E260-Q264 PolarHBondContact O-N 2.91Å; A261-Q264 CarbonylContact O-C 3.52Å; A261-Q264 VanDerWaalsContact O-C 3.26Å; Q264-S266 PolarHBondContact O-N 2.85Å; Q264-F267 HydrophobicContact CB-CD1 4.41Å; Q264-F267 HydrophobicContact CB-CE1 4.42Å; Q264-F267 WeakPolarHBondContact O-CB 3.47Å; Q264-F267 PolarHBondContact O-N 2.92Å
265P98Very high97.2Very high4 Ų437.5 Ų37.53%0.02621%0.211CC..G310 helixtrans-58.7-17.9-178.3-26.836.7000114.6L181 A261 L263 F267 L268 G269 M270 C272L181-P265 HydrophobicContact CD2-CB 3.94Å; L181-P265 HydrophobicContact CD2-CG 3.86Å; A261-P265 VanDerWaalsContact O-CA 3.28Å; A261-P265 WeakPolarHBondContact O-CA 3.33Å; A261-P265 VanDerWaalsContact O-N 3.15Å; L263-P265 WeakPolarHBondContact O-CD 3.35Å; P265-F267 PolarHBondContact O-N 3.17Å; P265-F267 VanDerWaalsContact O-N 3.15Å; P265-L268 WeakPolarHBondContact O-CB 3.37Å; P265-L268 PolarHBondContact O-N 2.64Å; P265-G269 PolarHBondContact O-N 3.17Å; P265-M270 CarbonylContact C-O 3.6Å; P265-M270 HydrophobicContact CB-CB 3.85Å; P265-M270 HydrophobicContact CB-SD 4.49Å; P265-M270 WeakPolarHBondContact O-CB 3.07Å; P265-M270 PolarHBondContact O-N 2.95Å; P265-M270 VanDerWaalsContact O-N 3.12Å; P265-C272 WeakPolarHBondContact CB-SG 3.35Å
266S97Very high97.2Very high82 Ų8236.7 Ų36.757%0.57321%0.209SC*.G310 helixtrans-57.9-24.2172.660.90000113.4Q264 L268 G269 M270Q264-S266 PolarHBondContact O-N 2.85Å; S266-L268 PolarHBondContact O-N 3.38Å; S266-G269 PolarHBondContact O-N 3.2Å; S266-M270 PolarHBondContact N-O 3.47Å
267F94.3Very high97.2Very high63 Ų6340.2 Ų40.228%0.27623%0.225SC..G310 helixtrans-63.2-25.5172.9-74.95.8000113.1Y189 F224 E260 A261 Q264 P265Y189-F267 HydrophobicContact CE1-CB 4.44Å; 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 4.06Å; F224-F267 AromaticContact CZ-CE2 3.62Å; F224-F267 HydrophobicContact CZ-CE2 3.62Å; F224-F267 AromaticContact CZ-CZ 3.72Å; F224-F267 HydrophobicContact CZ-CZ 3.72Å; E260-F267 HydrophobicContact CB-CD2 4.33Å; E260-F267 HydrophobicContact CB-CE2 3.98Å; E260-F267 HydrophobicContact CG-CD2 4.26Å; E260-F267 HydrophobicContact CG-CE2 3.61Å; E260-F267 HydrophobicContact CG-CZ 4.33Å; A261-F267 HydrophobicContact CB-CB 4.1Å; Q264-F267 HydrophobicContact CB-CD1 4.41Å; Q264-F267 HydrophobicContact CB-CE1 4.42Å; Q264-F267 WeakPolarHBondContact O-CB 3.47Å; Q264-F267 PolarHBondContact O-N 2.92Å; P265-F267 PolarHBondContact O-N 3.17Å; P265-F267 VanDerWaalsContact O-N 3.15Å
268L95.4Very high97.2Very high52 Ų5238.8 Ų38.827%0.27222%0.221SC..G310 helixtrans-93.1-0.6173.1-68.6143.1000112.5L181 D185 Y189 A261 P265 S266 M270L181-L268 HydrophobicContact CD1-CD1 3.37Å; L181-L268 HydrophobicContact CD2-CD1 3.95Å; L181-L268 HydrophobicContact CG-CD1 4.31Å; D185-L268 HydrophobicContact CB-CD2 4.38Å; Y189-L268 HydrophobicContact CD2-CD2 4.4Å; Y189-L268 HydrophobicContact CG-CD2 4.03Å; Y189-L268 HydrophobicContact CG-CG 4.43Å; A261-L268 HydrophobicContact CB-CD1 3.56Å; A261-L268 HydrophobicContact CB-CG 4.04Å; P265-L268 WeakPolarHBondContact O-CB 3.37Å; P265-L268 PolarHBondContact O-N 2.64Å; S266-L268 PolarHBondContact O-N 3.38Å; L268-M270 VanDerWaalsContact C-N 3.33Å; L268-M270 HydrophobicContact CB-CG 3.92Å; L268-M270 HydrophobicContact CB-SD 4.1Å; L268-M270 HydrophobicContact CD1-SD 4.14Å
269G95Very high97.3Very high67 Ų6738.8 Ų38.869%0.69122%0.221SC*.THydrogen-bonded Turntrans75.520-171.300000113.7P265 S266P265-G269 PolarHBondContact O-N 3.17Å; S266-G269 PolarHBondContact O-N 3.2Å
270M95.9Very high97.2Very high54 Ų5441.8 Ų41.827%0.26623%0.233SC..  trans-92132.6178.1-57.2175.974.800111D180 L181 P265 S266 L268 C272D180-M270 WeakPolarHBondContact O-CE 3.47Å; L181-M270 HydrophobicContact CB-CE 4.1Å; L181-M270 HydrophobicContact CB-SD 4.19Å; L181-M270 HydrophobicContact CD1-SD 4.23Å; L181-M270 HydrophobicContact CD2-SD 4.21Å; L181-M270 HydrophobicContact CG-SD 4.44Å; P265-M270 CarbonylContact C-O 3.6Å; P265-M270 HydrophobicContact CB-CB 3.85Å; P265-M270 HydrophobicContact CB-SD 4.49Å; P265-M270 WeakPolarHBondContact O-CB 3.07Å; P265-M270 PolarHBondContact O-N 2.95Å; P265-M270 VanDerWaalsContact O-N 3.12Å; S266-M270 PolarHBondContact N-O 3.47Å; L268-M270 VanDerWaalsContact C-N 3.33Å; L268-M270 HydrophobicContact CB-CG 3.92Å; L268-M270 HydrophobicContact CB-SD 4.1Å; L268-M270 HydrophobicContact CD1-SD 4.14Å; M270-C272 VanDerWaalsContact C-N 3.35Å; M270-C272 PolarHBondContact O-N 2.93Å
271E94.4Very high97.2Very high205 Ų20543.9 Ų43.996%0.95825%0.248SC*.  trans-92.664.4174.8-64.2-173.2169.400110.8
272C95.2Very high97.3Very high48 Ų4843.9 Ų43.932%0.32425%0.248SC..SBendtrans-143.3162.4178.459.80000111.6L179 P265 M270L179-C272 HydrophobicContact CD1-CB 3.93Å; L179-C272 WeakPolarHBondContact CD1-SG 3.41Å; P265-C272 WeakPolarHBondContact CB-SG 3.35Å; M270-C272 VanDerWaalsContact C-N 3.35Å; M270-C272 PolarHBondContact O-N 2.93Å
273S96.9Very high97.3Very high49 Ų4943.8 Ų43.834%0.34325%0.248SC..  trans-70.9146.7176.5-79.70000112.1E277 T278S273-E277 WeakPolarHBondContact CA-OE2 3.24Å; S273-E277 WeakPolarHBondContact CB-OE2 3.5Å; S273-E277 PolarHBondContact OG-OE2 3Å; S273-T278 PolarHBondContact O-OG1 2.96Å
274G98.2Very high97.2Very high1 Ų145.9 Ų45.91%0.0126%0.258CS..  trans-67171.3171.300000113M262 L263 H276 E277 T278M262-G274 CarbonylContact O-C 3.52Å; M262-G274 VanDerWaalsContact O-CA 3.26Å; M262-G274 WeakPolarHBondContact O-CA 3.37Å; L263-G274 WeakPolarHBondContact O-CA 3.46Å; G274-H276 PolarHBondContact O-N 2.86Å; G274-E277 PolarHBondContact O-N 2.99Å; G274-T278 VanDerWaalsContact O-CB 3.3Å; G274-T278 WeakPolarHBondContact O-CB 3.27Å; G274-T278 PolarHBondContact O-N 3.39Å; G274-T278 PolarHBondContact O-OG1 2.96Å
275I98.5Very high97.2Very high3 Ų347.6 Ų47.62%0.01526%0.264CS..Hα-helixtrans-59.9-31.4-17954.6163.2000113.6L154 L179 M262 L263 T279 I310 M314L154-I275 HydrophobicContact CD1-CB 4.1Å; L154-I275 HydrophobicContact CD1-CG2 4.21Å; L154-I275 HydrophobicContact CD2-CB 4.03Å; L154-I275 HydrophobicContact CD2-CD1 3.85Å; L154-I275 HydrophobicContact CD2-CG1 4.38Å; L179-I275 HydrophobicContact CD2-CG2 4.33Å; M262-I275 HydrophobicContact CB-CD1 4.19Å; M262-I275 HydrophobicContact CB-CG1 4.26Å; M262-I275 HydrophobicContact CB-CG2 4.43Å; M262-I275 HydrophobicContact CE-CD1 4.08Å; M262-I275 HydrophobicContact CE-CG2 4.42Å; M262-I275 WeakPolarHBondContact O-CG1 3.49Å; M262-I275 PolarHBondContact O-N 3.08Å; L263-I275 HydrophobicContact CG-CG1 4.36Å; I275-T279 VanDerWaalsContact O-CB 3.32Å; I275-T279 WeakPolarHBondContact O-CB 3.39Å; I275-T279 PolarHBondContact O-N 3.22Å; I275-T279 PolarHBondContact O-OG1 3.26Å; I275-I310 HydrophobicContact CD1-CD1 4.14Å; I275-M314 HydrophobicContact CD1-CG 4.5Å; I275-M314 HydrophobicContact CD1-SD 3.7Å; I275-M314 HydrophobicContact CG1-SD 3.92Å
276H98.4Very high97.2Very high17 Ų1747.5 Ų47.58%0.07926%0.263CS..Hα-helixtrans-72.5-50.2179.861.5-73000111.4L263 G274 T278 T279 Y280 M314 E317 I318L263-H276 PolarHBondContact O-CE1 2.89Å; G274-H276 PolarHBondContact O-N 2.86Å; H276-T278 VanDerWaalsContact C-N 3.31Å; H276-T278 PolarHBondContact O-N 3.35Å; H276-T279 PolarHBondContact O-N 3.34Å; H276-Y280 WeakPolarHBondContact O-CB 3.49Å; H276-Y280 PolarHBondContact O-N 3.1Å; H276-M314 HydrophobicContact CB-CE 4.21Å; H276-M314 HydrophobicContact CB-SD 3.8Å; H276-E317 HydrophobicContact CB-CB 3.75Å; H276-E317 HydrophobicContact CB-CG 4.32Å; H276-I318 HydrophobicContact CB-CD1 4.31Å; H276-I318 WeakPolarHBondContact O-CD1 3.33Å
277E98.3Very high97.2Very high74 Ų7449.1 Ų49.135%0.34627%0.265SS..Hα-helixtrans-61.9-38.4172.4-75.7177.3175.900112.2S273 G274 Y280 S281 L321S273-E277 WeakPolarHBondContact CA-OE2 3.24Å; S273-E277 WeakPolarHBondContact CB-OE2 3.5Å; S273-E277 PolarHBondContact OG-OE2 3Å; G274-E277 PolarHBondContact O-N 2.99Å; E277-Y280 PolarHBondContact O-N 3.33Å; E277-S281 VanDerWaalsContact O-CB 3.22Å; E277-S281 WeakPolarHBondContact O-CB 3.24Å; E277-S281 PolarHBondContact O-N 3.38Å; E277-S281 PolarHBondContact O-OG 3.13Å; E277-L321 HydrophobicContact CG-CD1 4.14Å
278T98.4Very high97.3Very high15 Ų1550.9 Ų50.99%0.09228%0.281CS..Hα-helixtrans-64.5-45176.7-58.20000110.3T163 L177 S273 G274 H276 S281 S282T163-T278 HydrophobicContact CG2-CG2 3.86Å; L177-T278 HydrophobicContact CB-CG2 3.62Å; L177-T278 HydrophobicContact CD1-CG2 3.9Å; L177-T278 WeakPolarHBondContact CD1-O 3.33Å; L177-T278 HydrophobicContact CG-CG2 4.42Å; S273-T278 PolarHBondContact O-OG1 2.96Å; G274-T278 VanDerWaalsContact O-CB 3.3Å; G274-T278 WeakPolarHBondContact O-CB 3.27Å; G274-T278 PolarHBondContact O-N 3.39Å; G274-T278 PolarHBondContact O-OG1 2.96Å; H276-T278 VanDerWaalsContact C-N 3.31Å; H276-T278 PolarHBondContact O-N 3.35Å; T278-S281 PolarHBondContact O-N 3.13Å; T278-S282 WeakPolarHBondContact O-CB 3.29Å; T278-S282 PolarHBondContact O-N 3Å
279T98.7Very high97.3Very high0 Ų055.3 Ų55.30%031%0.305CS..Hα-helixtrans-61.8-47.5176.4-58.60000111I152 T163 I275 H276 S281 S282 I283 I298 I318I152-T279 HydrophobicContact CD1-CG2 4.04Å; I152-T279 HydrophobicContact CG2-CG2 4.37Å; T163-T279 WeakPolarHBondContact CG2-OG1 3.49Å; I275-T279 VanDerWaalsContact O-CB 3.32Å; I275-T279 WeakPolarHBondContact O-CB 3.39Å; I275-T279 PolarHBondContact O-N 3.22Å; I275-T279 PolarHBondContact O-OG1 3.26Å; H276-T279 PolarHBondContact O-N 3.34Å; T279-S281 PolarHBondContact O-N 2.81Å; T279-S282 WeakPolarHBondContact O-CB 3.27Å; T279-S282 PolarHBondContact O-N 3.38Å; T279-I283 HydrophobicContact CG2-CD1 4.43Å; T279-I283 WeakPolarHBondContact O-CG1 3.44Å; T279-I283 PolarHBondContact O-N 3.35Å; T279-I283 VanDerWaalsContact O-N 3.11Å; T279-I298 HydrophobicContact CG2-CG2 4.17Å; T279-I318 HydrophobicContact CG2-CD1 4.34Å
280Y98.4Very high97.4Very high63 Ų6353.1 Ų53.125%0.24728%0.277CS..Hα-helixtrans-57.1-48.4174.4169.3-98.1000112.1H276 E277 S282 I283 M284 Y295 L321H276-Y280 WeakPolarHBondContact O-CB 3.49Å; H276-Y280 PolarHBondContact O-N 3.1Å; E277-Y280 PolarHBondContact O-N 3.33Å; Y280-S282 VanDerWaalsContact C-N 3.29Å; Y280-S282 PolarHBondContact O-N 2.97Å; Y280-I283 PolarHBondContact O-N 2.8Å; Y280-M284 HydrophobicContact CD1-CG 4.25Å; Y280-M284 HydrophobicContact CD2-CG 4.33Å; Y280-M284 HydrophobicContact CE1-CG 3.74Å; Y280-M284 HydrophobicContact CE2-CE 3.71Å; Y280-M284 HydrophobicContact CE2-CG 3.82Å; Y280-M284 HydrophobicContact CE2-SD 4.35Å; Y280-M284 VanDerWaalsContact CZ-CG 3.49Å; Y280-M284 WeakPolarHBondContact O-CG 3.47Å; Y280-M284 PolarHBondContact O-N 3.07Å; Y280-Y295 VanDerWaalsContact CD2-OH 3.29Å; Y280-Y295 WeakPolarHBondContact CD2-OH 3.42Å; Y280-Y295 VanDerWaalsContact CE2-OH 3.3Å; Y280-Y295 WeakPolarHBondContact CE2-OH 3.41Å; Y280-L321 HydrophobicContact CD1-CB 4.47Å; Y280-L321 HydrophobicContact CD2-CB 3.69Å; Y280-L321 HydrophobicContact CE2-CB 4.08Å; Y280-L321 WeakPolarHBondContact CE2-O 3.21Å; Y280-L321 HydrophobicContact CG-CB 3.91Å; Y280-L321 HydrophobicContact CG-CD1 4.16Å
281S98.5Very high97.5Very high44 Ų4452.9 Ų52.931%0.30827%0.274SS..Hα-helixtrans-61.7-38.3-179.7-61.40000111.9E277 T278 T279 M284 K285E277-S281 VanDerWaalsContact O-CB 3.22Å; E277-S281 WeakPolarHBondContact O-CB 3.24Å; E277-S281 PolarHBondContact O-N 3.38Å; E277-S281 PolarHBondContact O-OG 3.13Å; T278-S281 PolarHBondContact O-N 3.13Å; T279-S281 PolarHBondContact O-N 2.81Å; S281-M284 PolarHBondContact O-N 3.3Å; S281-K285 WeakPolarHBondContact O-CG 3.47Å; S281-K285 PolarHBondContact O-N 3.07Å
282S98.5Very high97.7Very high0 Ų050 Ų500%026%0.258CS..Hα-helixtrans-62.4-46.4175178.30000111.3I152 T163 P165 A175 T278 T279 Y280 M284 K285 C286I152-S282 WeakPolarHBondContact CD1-OG 3.28Å; T163-S282 WeakPolarHBondContact OG1-CB 3.48Å; P165-S282 WeakPolarHBondContact CD-OG 3.28Å; P165-S282 WeakPolarHBondContact CG-OG 3.46Å; A175-S282 WeakPolarHBondContact O-CB 3.48Å; A175-S282 PolarHBondContact O-OG 2.8Å; T278-S282 WeakPolarHBondContact O-CB 3.29Å; T278-S282 PolarHBondContact O-N 3Å; T279-S282 WeakPolarHBondContact O-CB 3.27Å; T279-S282 PolarHBondContact O-N 3.38Å; Y280-S282 VanDerWaalsContact C-N 3.29Å; Y280-S282 PolarHBondContact O-N 2.97Å; S282-M284 VanDerWaalsContact C-N 3.29Å; S282-M284 PolarHBondContact O-N 3Å; S282-K285 PolarHBondContact O-N 2.94Å; S282-K285 VanDerWaalsContact O-N 3.16Å; S282-C286 PolarHBondContact O-N 2.96Å; S282-C286 PolarHBondContact O-SG 2.86Å
283I98.4Very high97.8Very high0 Ų050.9 Ų50.90%026%0.259CS..Hα-helixtrans-61.7-38.6174.4-61.3169.5000111.2I152 T279 Y280 K285 C286 R291 L294 Y295 I298I152-I283 HydrophobicContact CD1-CD1 4.42Å; I152-I283 HydrophobicContact CD1-CG1 3.68Å; I152-I283 HydrophobicContact CG2-CD1 4.03Å; I152-I283 HydrophobicContact CG2-CG1 4.16Å; T279-I283 HydrophobicContact CG2-CD1 4.43Å; T279-I283 WeakPolarHBondContact O-CG1 3.44Å; T279-I283 PolarHBondContact O-N 3.35Å; T279-I283 VanDerWaalsContact O-N 3.11Å; Y280-I283 PolarHBondContact O-N 2.8Å; I283-K285 VanDerWaalsContact C-N 3.27Å; I283-K285 PolarHBondContact O-N 2.87Å; I283-C286 WeakPolarHBondContact O-CB 3.45Å; I283-C286 PolarHBondContact O-N 2.78Å; I283-C286 VanDerWaalsContact O-N 3.12Å; I283-R291 HydrophobicContact CG2-CB 3.93Å; I283-R291 HydrophobicContact CG2-CG 3.93Å; I283-R291 PolarHBondContact O-NE 3.14Å; I283-L294 HydrophobicContact CD1-CB 4.47Å; I283-L294 HydrophobicContact CG1-CB 4.14Å; I283-L294 HydrophobicContact CG1-CD1 4.47Å; I283-L294 HydrophobicContact CG2-CB 4.25Å; I283-L294 HydrophobicContact CG2-CD1 4.29Å; I283-Y295 HydrophobicContact CB-CE1 4.42Å; I283-Y295 HydrophobicContact CD1-CD1 3.47Å; I283-Y295 VanDerWaalsContact CD1-CD1 3.47Å; I283-Y295 HydrophobicContact CD1-CE1 3.45Å; I283-Y295 VanDerWaalsContact CD1-CE1 3.45Å; I283-Y295 HydrophobicContact CD1-CG 4.2Å; I283-Y295 HydrophobicContact CG2-CD1 4.45Å; I283-Y295 HydrophobicContact CG2-CD2 4.09Å; I283-Y295 HydrophobicContact CG2-CE1 4.09Å; I283-Y295 HydrophobicContact CG2-CE2 3.69Å; I283-Y295 HydrophobicContact CG2-CG 4.45Å; I283-I298 HydrophobicContact CD1-CD1 4.37Å
284M97.7Very high97.8Very high49 Ų4948.5 Ų48.524%0.24124%0.243CC..Hα-helixtrans-69.7-21178.7-75.9-66.9137.700114Y280 S281 S282 C286 R291 Y295Y280-M284 HydrophobicContact CD1-CG 4.25Å; Y280-M284 HydrophobicContact CD2-CG 4.33Å; Y280-M284 HydrophobicContact CE1-CG 3.74Å; Y280-M284 HydrophobicContact CE2-CE 3.71Å; Y280-M284 HydrophobicContact CE2-CG 3.82Å; Y280-M284 HydrophobicContact CE2-SD 4.35Å; Y280-M284 VanDerWaalsContact CZ-CG 3.49Å; Y280-M284 WeakPolarHBondContact O-CG 3.47Å; Y280-M284 PolarHBondContact O-N 3.07Å; S281-M284 PolarHBondContact O-N 3.3Å; S282-M284 VanDerWaalsContact C-N 3.29Å; S282-M284 PolarHBondContact O-N 3Å; M284-C286 VanDerWaalsContact C-N 3.33Å; M284-R291 PolarHBondContact O-NH2 2.89Å; M284-R291 PolarHBondContact SD-NH1 3.28Å; M284-Y295 HydrophobicContact CE-CE2 4.2Å; M284-Y295 WeakPolarHBondContact CE-OH 3.32Å
285K98.3Very high97.8Very high110 Ų11048.5 Ų48.548%0.47824%0.242SC..Hα-helixtrans-78.1-17.3171-74.8-177.6174.4-164.40113.3A175 L177 S281 S282 I283A175-K285 HydrophobicContact CB-CB 3.7Å; L177-K285 HydrophobicContact CD2-CD 4.24Å; L177-K285 VanDerWaalsContact CD2-NZ 3.32Å; S281-K285 WeakPolarHBondContact O-CG 3.47Å; S281-K285 PolarHBondContact O-N 3.07Å; S282-K285 PolarHBondContact O-N 2.94Å; S282-K285 VanDerWaalsContact O-N 3.16Å; I283-K285 VanDerWaalsContact C-N 3.27Å; I283-K285 PolarHBondContact O-N 2.87Å
286C98Very high97.8Very high1 Ų149.8 Ų49.81%0.00725%0.252CS..SBendtrans-80.7159.4176.2-63.90000112.4P165 A175 S282 I283 M284 I290 R291 L294P165-C286 VanDerWaalsContact CB-SG 3.58Å; A175-C286 VanDerWaalsContact CB-SG 3.51Å; S282-C286 PolarHBondContact O-N 2.96Å; S282-C286 PolarHBondContact O-SG 2.86Å; I283-C286 WeakPolarHBondContact O-CB 3.45Å; I283-C286 PolarHBondContact O-N 2.78Å; I283-C286 VanDerWaalsContact O-N 3.12Å; M284-C286 VanDerWaalsContact C-N 3.33Å; C286-I290 HydrophobicContact CB-CD1 3.91Å; C286-I290 HydrophobicContact CB-CG1 4.06Å; C286-R291 VanDerWaalsContact O-CZ 3.3Å; C286-R291 PolarHBondContact O-NE 3.01Å; C286-R291 PolarHBondContact O-NH2 2.89Å; C286-L294 HydrophobicContact CB-CD1 3.78Å
287D97Very high97.7Very high116 Ų11650.6 Ų50.662%0.6226%0.257SS*.  trans-59.6144.3175-67.6-37.1000112.1D289 I290 R291D287-D289 PolarHBondContact O-N 2.85Å; D287-I290 VanDerWaalsContact O-CG1 3.27Å; D287-I290 WeakPolarHBondContact O-CG1 3.41Å; D287-I290 PolarHBondContact O-N 3.31Å; D287-R291 WeakPolarHBondContact O-CG 3.43Å
288V95.8Very high97.8Very high100 Ų10047.1 Ų47.161%0.60624%0.24SC*.Hα-helixtrans-56.7-37.9-173.2175.60000112.2I290 R291V288-I290 VanDerWaalsContact C-N 3.28Å; V288-I290 PolarHBondContact O-N 2.88Å; V288-R291 PolarHBondContact O-N 3.15Å
289D96Very high97.8Very high145 Ų14546.4 Ų46.478%0.77524%0.236SC*.Hα-helixtrans-64.6-30.7-174.2-63.9-22.5000112.9D287D287-D289 PolarHBondContact O-N 2.85Å
290I96.9Very high97.8Very high21 Ų2146.4 Ų46.411%0.10824%0.236CC..Hα-helixtrans-94.4-13.7-177.567.4167.6000113.4Y167 L172 C286 D287 V288 K292 D293 L294Y167-I290 HydrophobicContact CD2-CB 3.98Å; Y167-I290 HydrophobicContact CD2-CD1 4.38Å; Y167-I290 HydrophobicContact CD2-CG2 3.6Å; Y167-I290 HydrophobicContact CE2-CB 4.17Å; Y167-I290 HydrophobicContact CE2-CG2 3.48Å; Y167-I290 VanDerWaalsContact CE2-CG2 3.48Å; Y167-I290 HydrophobicContact CG-CG2 4.32Å; L172-I290 HydrophobicContact CD1-CD1 3.43Å; L172-I290 VanDerWaalsContact CD1-CD1 3.43Å; C286-I290 HydrophobicContact CB-CD1 3.91Å; C286-I290 HydrophobicContact CB-CG1 4.06Å; D287-I290 VanDerWaalsContact O-CG1 3.27Å; D287-I290 WeakPolarHBondContact O-CG1 3.41Å; D287-I290 PolarHBondContact O-N 3.31Å; V288-I290 VanDerWaalsContact C-N 3.28Å; V288-I290 PolarHBondContact O-N 2.88Å; I290-K292 PolarHBondContact O-N 2.87Å; I290-D293 PolarHBondContact O-N 3.03Å; I290-L294 HydrophobicContact CD1-CD1 4.23Å; I290-L294 HydrophobicContact CG1-CD1 4.26Å; I290-L294 WeakPolarHBondContact O-CG 3.3Å; I290-L294 PolarHBondContact O-N 3.37Å; I290-L294 VanDerWaalsContact O-N 3.09Å
291R97.8Very high97.8Very high50 Ų5043.4 Ų43.419%0.18922%0.224CC..Hα-helixtrans-58.7-35-174.9-63.8-174.9-171.3175.70.9112.9I283 M284 C286 D287 V288 D293 L294 Y295I283-R291 HydrophobicContact CG2-CB 3.93Å; I283-R291 HydrophobicContact CG2-CG 3.93Å; I283-R291 PolarHBondContact O-NE 3.14Å; M284-R291 PolarHBondContact O-NH2 2.89Å; M284-R291 PolarHBondContact SD-NH1 3.28Å; C286-R291 VanDerWaalsContact O-CZ 3.3Å; C286-R291 PolarHBondContact O-NE 3.01Å; C286-R291 PolarHBondContact O-NH2 2.89Å; D287-R291 WeakPolarHBondContact O-CG 3.43Å; V288-R291 PolarHBondContact O-N 3.15Å; R291-D293 VanDerWaalsContact C-N 3.31Å; R291-D293 PolarHBondContact O-N 2.94Å; R291-L294 PolarHBondContact O-N 3.48Å; R291-Y295 HydrophobicContact CB-CD2 4.32Å; R291-Y295 HydrophobicContact CB-CE2 4.28Å; R291-Y295 WeakPolarHBondContact O-CB 3.37Å; R291-Y295 WeakPolarHBondContact O-CD2 3.47Å; R291-Y295 PolarHBondContact O-N 3.1Å
292K97.3Very high97.7Very high143 Ų14341.7 Ų41.762%0.62221%0.214SC*.Hα-helixtrans-60.8-41.7177-178.6-175.2173.4-170.90111.7I290 S296 M326I290-K292 PolarHBondContact O-N 2.87Å; K292-S296 WeakPolarHBondContact O-CB 3.35Å; K292-S296 PolarHBondContact O-N 3.38Å; K292-S296 PolarHBondContact O-OG 2.9Å; K292-M326 HydrophobicContact CB-SD 4.18Å
293D97.3Very high97.6Very high67 Ų6743.8 Ų43.836%0.35824%0.235SC..Hα-helixtrans-72.5-36.4179-61.4-41.8000111.3T150 I290 R291 S296 N297T150-D293 HydrophobicContact CG2-CB 3.82Å; I290-D293 PolarHBondContact O-N 3.03Å; R291-D293 VanDerWaalsContact C-N 3.31Å; R291-D293 PolarHBondContact O-N 2.94Å; D293-S296 PolarHBondContact O-N 2.75Å; D293-S296 PolarHBondContact O-OG 3.25Å; D293-N297 WeakPolarHBondContact O-CB 3.47Å; D293-N297 PolarHBondContact O-N 3.41Å; D293-N297 PolarHBondContact O-ND2 3.02Å
294L98.2Very high97.6Very high0 Ų044 Ų440%024%0.237CC..Hα-helixtrans-64.6-48.5174.3-60.1179.9000111.9G151 I152 P165 I283 C286 I290 R291 S296 N297 I298G151-L294 VanDerWaalsContact C-CD2 3.5Å; G151-L294 WeakPolarHBondContact O-CD2 3.46Å; I152-L294 HydrophobicContact CB-CD2 4.48Å; I152-L294 HydrophobicContact CG2-CB 4.48Å; P165-L294 HydrophobicContact CB-CD1 4.06Å; P165-L294 HydrophobicContact CB-CD2 4.26Å; I283-L294 HydrophobicContact CD1-CB 4.47Å; I283-L294 HydrophobicContact CG1-CB 4.14Å; I283-L294 HydrophobicContact CG1-CD1 4.47Å; I283-L294 HydrophobicContact CG2-CB 4.25Å; I283-L294 HydrophobicContact CG2-CD1 4.29Å; C286-L294 HydrophobicContact CB-CD1 3.78Å; I290-L294 HydrophobicContact CD1-CD1 4.23Å; I290-L294 HydrophobicContact CG1-CD1 4.26Å; I290-L294 WeakPolarHBondContact O-CG 3.3Å; I290-L294 PolarHBondContact O-N 3.37Å; I290-L294 VanDerWaalsContact O-N 3.09Å; R291-L294 PolarHBondContact O-N 3.48Å; L294-S296 VanDerWaalsContact C-N 3.27Å; L294-S296 PolarHBondContact O-N 3.35Å; L294-N297 CarbonylContact O-C 3.54Å; L294-N297 VanDerWaalsContact O-C 3.3Å; L294-N297 PolarHBondContact O-N 3.22Å; L294-N297 VanDerWaalsContact O-N 3.11Å; L294-I298 WeakPolarHBondContact O-CG1 3.44Å
295Y98.2Very high97.7Very high0 Ų041.7 Ų41.70%023%0.226CC..Hα-helixtrans-62.2-32.9178.5-82-53.5000113.7Y280 I283 M284 R291 N297 I298 I318 A322 M326 I328 K329Y280-Y295 VanDerWaalsContact CD2-OH 3.29Å; Y280-Y295 WeakPolarHBondContact CD2-OH 3.42Å; Y280-Y295 VanDerWaalsContact CE2-OH 3.3Å; Y280-Y295 WeakPolarHBondContact CE2-OH 3.41Å; I283-Y295 HydrophobicContact CB-CE1 4.42Å; I283-Y295 HydrophobicContact CD1-CD1 3.47Å; I283-Y295 VanDerWaalsContact CD1-CD1 3.47Å; I283-Y295 HydrophobicContact CD1-CE1 3.45Å; I283-Y295 VanDerWaalsContact CD1-CE1 3.45Å; I283-Y295 HydrophobicContact CD1-CG 4.2Å; I283-Y295 HydrophobicContact CG2-CD1 4.45Å; I283-Y295 HydrophobicContact CG2-CD2 4.09Å; I283-Y295 HydrophobicContact CG2-CE1 4.09Å; I283-Y295 HydrophobicContact CG2-CE2 3.69Å; I283-Y295 HydrophobicContact CG2-CG 4.45Å; M284-Y295 HydrophobicContact CE-CE2 4.2Å; M284-Y295 WeakPolarHBondContact CE-OH 3.32Å; R291-Y295 HydrophobicContact CB-CD2 4.32Å; R291-Y295 HydrophobicContact CB-CE2 4.28Å; R291-Y295 WeakPolarHBondContact O-CB 3.37Å; R291-Y295 WeakPolarHBondContact O-CD2 3.47Å; R291-Y295 PolarHBondContact O-N 3.1Å; Y295-N297 VanDerWaalsContact C-N 3.29Å; Y295-I298 HydrophobicContact CD1-CD1 4.47Å; Y295-I318 HydrophobicContact CD1-CG2 4.04Å; Y295-I318 HydrophobicContact CE1-CG2 3.99Å; Y295-A322 HydrophobicContact CD1-CB 4.23Å; Y295-A322 HydrophobicContact CE1-CB 3.64Å; Y295-A322 HydrophobicContact CE2-CB 4.33Å; Y295-M326 HydrophobicContact CD2-CB 3.92Å; Y295-M326 HydrophobicContact CD2-CG 3.66Å; Y295-M326 HydrophobicContact CD2-SD 3.94Å; Y295-M326 HydrophobicContact CE2-CB 4.44Å; Y295-M326 HydrophobicContact CE2-CG 3.91Å; Y295-M326 HydrophobicContact CE2-SD 4.47Å; Y295-M326 HydrophobicContact CG-CB 4.31Å; Y295-I328 HydrophobicContact CD1-CD1 3.41Å; Y295-I328 VanDerWaalsContact CD1-CD1 3.41Å; Y295-I328 HydrophobicContact CD2-CD1 4.46Å; Y295-I328 HydrophobicContact CE1-CD1 4.13Å; Y295-I328 HydrophobicContact CG-CD1 3.62Å; Y295-I328 WeakPolarHBondContact O-CA 3.35Å; Y295-K329 PolarHBondContact O-N 3.25Å
296S97.3Very high97.7Very high31 Ų3139.6 Ų39.622%0.21722%0.218CC..THydrogen-bonded Turntrans-85.1-1.1178.6620000113.8K292 D293 L294 K329K292-S296 WeakPolarHBondContact O-CB 3.35Å; K292-S296 PolarHBondContact O-N 3.38Å; K292-S296 PolarHBondContact O-OG 2.9Å; D293-S296 PolarHBondContact O-N 2.75Å; D293-S296 PolarHBondContact O-OG 3.25Å; L294-S296 VanDerWaalsContact C-N 3.27Å; L294-S296 PolarHBondContact O-N 3.35Å; S296-K329 WeakPolarHBondContact O-CB 3.41Å
297N97.6Very high97.7Very high34 Ų3440.3 Ų40.318%0.18222%0.221CC..  trans-141.857.9179.6-64.5-66.1000111.6R148 G151 I152 D293 L294 Y295 V299R148-N297 WeakPolarHBondContact CD-OD1 3.46Å; R148-N297 PolarHBondContact NE-OD1 3.2Å; G151-N297 VanDerWaalsContact CA-O 3.3Å; G151-N297 WeakPolarHBondContact CA-O 3.33Å; I152-N297 PolarHBondContact N-O 2.85Å; D293-N297 WeakPolarHBondContact O-CB 3.47Å; D293-N297 PolarHBondContact O-N 3.41Å; D293-N297 PolarHBondContact O-ND2 3.02Å; L294-N297 CarbonylContact O-C 3.54Å; L294-N297 VanDerWaalsContact O-C 3.3Å; L294-N297 PolarHBondContact O-N 3.22Å; L294-N297 VanDerWaalsContact O-N 3.11Å; Y295-N297 VanDerWaalsContact C-N 3.29Å; N297-V299 PolarHBondContact O-N 3.41Å
298I98.6Very high97.8Very high0 Ų038.8 Ų38.80%022%0.218CC..EExtended strand (participates in β ladder)trans-85.1106.8171.9-56.6175.1000108.2I152 T279 I283 L294 Y295 I318 I328 K329 I330 V331I152-I298 HydrophobicContact CG2-CB 4.15Å; I152-I298 HydrophobicContact CG2-CG1 3.67Å; I152-I298 HydrophobicContact CG2-CG2 4.26Å; I152-I298 CarbonylContact O-C 3.6Å; I152-I298 WeakPolarHBondContact O-CA 3.44Å; T279-I298 HydrophobicContact CG2-CG2 4.17Å; I283-I298 HydrophobicContact CD1-CD1 4.37Å; L294-I298 WeakPolarHBondContact O-CG1 3.44Å; Y295-I298 HydrophobicContact CD1-CD1 4.47Å; I298-I318 HydrophobicContact CD1-CG1 4.37Å; I298-I318 HydrophobicContact CD1-CG2 3.87Å; I298-I328 HydrophobicContact CD1-CG2 4.18Å; I298-K329 PolarHBondContact N-O 2.93Å; I298-K329 VanDerWaalsContact N-O 3.14Å; I298-I330 HydrophobicContact CB-CD1 3.73Å; I298-I330 HydrophobicContact CD1-CD1 3.75Å; I298-I330 HydrophobicContact CG1-CD1 4.29Å; I298-I330 HydrophobicContact CG2-CD1 3.75Å; I298-I330 CarbonylContact O-C 3.59Å; I298-I330 WeakPolarHBondContact O-CA 3.37Å; I298-V331 PolarHBondContact O-N 3.11Å
299V98.6Very high97.9Very high0 Ų035.4 Ų35.40%020%0.203CC..EExtended strand (participates in β ladder)trans-99.9126.4-176.7-178.10000110.3L143 I152 V153 L154 N297 V331L143-V299 HydrophobicContact CD1-CB 4.43Å; L143-V299 HydrophobicContact CD1-CG2 3.71Å; I152-V299 PolarHBondContact O-N 2.91Å; V153-V299 WeakPolarHBondContact CA-O 3.02Å; V153-V299 HydrophobicContact CG2-CB 4.25Å; L154-V299 PolarHBondContact N-O 3.09Å; N297-V299 PolarHBondContact O-N 3.41Å; V299-V331 WeakPolarHBondContact CA-O 3.27Å; V299-V331 HydrophobicContact CG2-CB 4.19Å
300L98.7Very high98Very high0 Ų028.6 Ų28.60%017%0.167CC..EExtended strand (participates in β ladder)trans-88.2132.4174.2-56.3-170000110.4L154 T305 I310 I330 V331 A332 R336L154-L300 HydrophobicContact CB-CD2 4.02Å; L154-L300 HydrophobicContact CD2-CD2 3.88Å; L154-L300 HydrophobicContact CG-CD2 4.3Å; L300-T305 HydrophobicContact CB-CG2 4.33Å; L300-I310 HydrophobicContact CD1-CG2 4.05Å; L300-I330 HydrophobicContact CD1-CG2 3.78Å; L300-I330 HydrophobicContact CD2-CG2 4.16Å; L300-I330 HydrophobicContact CG-CG2 3.74Å; L300-V331 PolarHBondContact N-O 2.9Å; L300-A332 HydrophobicContact CB-CB 4.36Å; L300-A332 HydrophobicContact CD1-CB 4.04Å; L300-A332 HydrophobicContact CG-CB 4.39Å; L300-R336 WeakPolarHBondContact O-CB 3.49Å
301S98.3Very high98.1Very high0 Ų029 Ų290%017%0.172CC..EExtended strand (participates in β ladder)trans-136.9152.9179.7173.60000111.2S142 L154 D155 S156 T305S142-S301 WeakPolarHBondContact CB-OG 3.44Å; S142-S301 PolarHBondContact OG-OG 3.18Å; L154-S301 PolarHBondContact O-N 3.49Å; D155-S301 WeakPolarHBondContact CA-O 3.43Å; D155-S301 VanDerWaalsContact OD1-CB 3.25Å; D155-S301 WeakPolarHBondContact OD1-CB 3.43Å; D155-S301 PolarHBondContact OD1-OG 2.81Å; S156-S301 PolarHBondContact N-O 2.84Å; S301-T305 WeakPolarHBondContact O-CG2 3.31Å; S301-T305 PolarHBondContact O-OG1 3.12Å
302G97.4Very high98.1Very high8 Ų831.8 Ų31.88%0.08219%0.19CC..SBendtrans90.6159.7172.600000114.3D155 S156 S304 T305 R336D155-G302 PolarHBondContact OD1-N 2.89Å; S156-G302 CarbonylContact O-C 3.54Å; S156-G302 WeakPolarHBondContact O-CA 3.47Å; G302-S304 PolarHBondContact O-N 3.01Å; G302-T305 PolarHBondContact O-N 3.28Å; G302-T305 VanDerWaalsContact O-N 3.11Å; G302-T305 PolarHBondContact O-OG1 3.38Å; G302-R336 PolarHBondContact N-O 2.83Å
303G97.1Very high98.2Very high44 Ų4425.4 Ų25.445%0.45416%0.162SC..G310 helixtrans-62.8-34.7-170.400000114.5S156 T305 M306S156-G303 PolarHBondContact O-N 2.64Å; G303-T305 PolarHBondContact O-N 2.91Å; G303-M306 WeakPolarHBondContact O-CB 3.31Å; G303-M306 WeakPolarHBondContact O-CG 3.38Å; G303-M306 PolarHBondContact O-N 3.19Å
304S98.2Very high98.2Very high6 Ų622.2 Ų22.24%0.04215%0.145CC..G310 helixtrans-74.9-9.6179.1-62.50000112.7S156 G157 G183 G302 M306 F307S156-S304 WeakPolarHBondContact O-CB 3.46Å; S156-S304 PolarHBondContact O-N 3.38Å; S156-S304 VanDerWaalsContact OG-CB 3.32Å; S156-S304 WeakPolarHBondContact OG-CB 3.45Å; G157-S304 PolarHBondContact O-OG 2.92Å; G183-S304 VanDerWaalsContact CA-OG 3.28Å; G183-S304 WeakPolarHBondContact CA-OG 3.47Å; G183-S304 PolarHBondContact N-OG 3.38Å; G183-S304 VanDerWaalsContact N-OG 3.15Å; G302-S304 PolarHBondContact O-N 3.01Å; S304-M306 VanDerWaalsContact C-N 3.29Å; S304-F307 WeakPolarHBondContact O-CD2 3.32Å; S304-F307 WeakPolarHBondContact O-CE2 3.39Å
305T98.5Very high98.2Very high0 Ų025 Ų250%016%0.158CC..G310 helixtrans-88.44.6167.974.70000113.1L300 S301 G302 G303 F307 I310 R336L300-T305 HydrophobicContact CB-CG2 4.33Å; S301-T305 WeakPolarHBondContact O-CG2 3.31Å; S301-T305 PolarHBondContact O-OG1 3.12Å; G302-T305 PolarHBondContact O-N 3.28Å; G302-T305 VanDerWaalsContact O-N 3.11Å; G302-T305 PolarHBondContact O-OG1 3.38Å; G303-T305 PolarHBondContact O-N 2.91Å; T305-F307 VanDerWaalsContact C-N 3.32Å; T305-I310 VanDerWaalsContact O-CG2 3.28Å; T305-I310 WeakPolarHBondContact O-CG2 3.39Å; T305-R336 VanDerWaalsContact O-CZ 3.29Å; T305-R336 PolarHBondContact O-NE 2.85Å; T305-R336 PolarHBondContact O-NH2 3.49Å; T305-R336 WeakPolarHBondContact OG1-CD 3.27Å; T305-R336 PolarHBondContact OG1-NE 3.43Å
306M98.3Very high98.3Very high66 Ų6628 Ų2833%0.32517%0.171SC..G310 helixtrans-81.4-8.5177.8-64.5-64.2-63.900113.6G303 S304 R336 K337G303-M306 WeakPolarHBondContact O-CB 3.31Å; G303-M306 WeakPolarHBondContact O-CG 3.38Å; G303-M306 PolarHBondContact O-N 3.19Å; S304-M306 VanDerWaalsContact C-N 3.29Å; M306-R336 HydrophobicContact SD-CG 3.48Å; M306-R336 WeakPolarHBondContact SD-CG 3.17Å; M306-K337 HydrophobicContact CE-CG 4.47Å; M306-K337 HydrophobicContact CG-CB 4.05Å; M306-K337 HydrophobicContact SD-CB 4.08Å; M306-K337 HydrophobicContact SD-CG 4.34Å
307F98.6Very high98.3Very high15 Ų1528.1 Ų28.17%0.06617%0.168CC..SBendtrans-56.2128.1176.4-68.4-62.8000111.1L186 K214 C218 V220 P259 M262 S304 T305 G309 I310L186-F307 HydrophobicContact CD1-CE2 3.74Å; L186-F307 HydrophobicContact CD1-CZ 4.07Å; K214-F307 HydrophobicContact CD-CZ 4.09Å; K214-F307 HydrophobicContact CG-CE1 3.89Å; K214-F307 HydrophobicContact CG-CZ 3.85Å; C218-F307 HydrophobicContact CB-CD1 3.96Å; C218-F307 HydrophobicContact CB-CE1 3.66Å; V220-F307 HydrophobicContact CG2-CB 3.93Å; P259-F307 HydrophobicContact CB-CD1 4.2Å; P259-F307 HydrophobicContact CB-CD2 3.76Å; P259-F307 HydrophobicContact CB-CE1 4.26Å; P259-F307 HydrophobicContact CB-CE2 3.84Å; P259-F307 HydrophobicContact CB-CG 3.97Å; P259-F307 HydrophobicContact CB-CZ 4.08Å; P259-F307 HydrophobicContact CG-CD1 4.49Å; M262-F307 HydrophobicContact SD-CD2 4.09Å; M262-F307 HydrophobicContact SD-CE2 3.94Å; S304-F307 WeakPolarHBondContact O-CD2 3.32Å; S304-F307 WeakPolarHBondContact O-CE2 3.39Å; T305-F307 VanDerWaalsContact C-N 3.32Å; F307-G309 PolarHBondContact O-N 3.49Å; F307-I310 WeakPolarHBondContact O-CB 3.31Å; F307-I310 WeakPolarHBondContact O-CG2 3.13Å; F307-I310 PolarHBondContact O-N 3.49Å
308P98.5Very high98.3Very high84 Ų8426.5 Ų26.555%0.54516%0.16SC..THydrogen-bonded Turntrans-54.9141.4170.8-24.634.3000110.9V220 I310V220-P308 PolarHBondContact N-O 3.16Å; P308-I310 VanDerWaalsContact C-N 3.3Å; P308-I310 PolarHBondContact O-N 3.33Å
309G98.4Very high98.3Very high29 Ų2929.4 Ų29.430%0.29918%0.179SC..THydrogen-bonded Turntrans82.8-11.6179.600000116F307 S311 D312 R313F307-G309 PolarHBondContact O-N 3.49Å; G309-S311 VanDerWaalsContact C-N 3.3Å; G309-S311 PolarHBondContact O-N 3.05Å; G309-D312 PolarHBondContact O-N 3.18Å; G309-R313 PolarHBondContact O-N 3.08Å
310I98.6Very high98.2Very high2 Ų234.8 Ų34.81%0.0121%0.208CC..Hα-helixtrans-62.5-36.5-177.5-163.6174.9000112.8V220 M262 I275 L300 T305 F307 P308 R313 M314V220-I310 HydrophobicContact CB-CB 4.34Å; V220-I310 HydrophobicContact CG2-CB 3.95Å; V220-I310 HydrophobicContact CG2-CG1 4.14Å; M262-I310 HydrophobicContact CE-CD1 4.43Å; I275-I310 HydrophobicContact CD1-CD1 4.14Å; L300-I310 HydrophobicContact CD1-CG2 4.05Å; T305-I310 VanDerWaalsContact O-CG2 3.28Å; T305-I310 WeakPolarHBondContact O-CG2 3.39Å; F307-I310 WeakPolarHBondContact O-CB 3.31Å; F307-I310 WeakPolarHBondContact O-CG2 3.13Å; F307-I310 PolarHBondContact O-N 3.49Å; P308-I310 VanDerWaalsContact C-N 3.3Å; P308-I310 PolarHBondContact O-N 3.33Å; I310-R313 PolarHBondContact O-N 2.84Å; I310-M314 HydrophobicContact CG1-CG 4.26Å; I310-M314 VanDerWaalsContact O-CB 3.29Å; I310-M314 WeakPolarHBondContact O-CB 3.35Å; I310-M314 VanDerWaalsContact O-CG 3.24Å; I310-M314 WeakPolarHBondContact O-CG 3.43Å; I310-M314 PolarHBondContact O-N 3.37Å
311S98.3Very high98.2Very high31 Ų3137.6 Ų37.622%0.21722%0.223CC..Hα-helixtrans-63.8-45.6179.1-173.90000111.4G309 M314 Q315 I330G309-S311 VanDerWaalsContact C-N 3.3Å; G309-S311 PolarHBondContact O-N 3.05Å; S311-M314 PolarHBondContact O-N 3.23Å; S311-Q315 WeakPolarHBondContact O-CB 3.41Å; S311-Q315 PolarHBondContact O-N 3.3Å; S311-I330 WeakPolarHBondContact OG-CG2 3.18Å
312D98.5Very high98.1Very high107 Ų10738 Ų3857%0.57223%0.226SC*.Hα-helixtrans-69.5-39.8-179.6-59.3-47.3000111.3L222 G309 Q315 K316L222-D312 HydrophobicContact CD1-CB 4.27Å; G309-D312 PolarHBondContact O-N 3.18Å; D312-Q315 WeakPolarHBondContact O-CB 3.42Å; D312-Q315 PolarHBondContact O-N 2.9Å; D312-K316 PolarHBondContact O-N 2.82Å
313R98.6Very high98Very high10 Ų1040.4 Ų40.44%0.03824%0.24CC..Hα-helixtrans-63.6-47.5174.7-176.762.3177-69.9-10.3111.5V220 A221 L222 E260 L263 G309 I310 Q315 K316 E317V220-R313 HydrophobicContact CG1-CB 3.5Å; V220-R313 HydrophobicContact CG1-CG 3.6Å; A221-R313 WeakPolarHBondContact O-CD 3.46Å; A221-R313 PolarHBondContact O-NH1 3.27Å; L222-R313 WeakPolarHBondContact O-CD 3.46Å; E260-R313 IonicContact OE1-CZ 2.64Å; E260-R313 IonicContact OE1-NH1 3.17Å; E260-R313 PolarHBondContact OE1-NH1 3.18Å; E260-R313 IonicContact OE1-NH2 3.32Å; E260-R313 PolarHBondContact OE1-NH2 3.09Å; E260-R313 IonicContact OE2-CZ 3Å; E260-R313 IonicContact OE2-NH1 2.73Å; E260-R313 PolarHBondContact OE2-NH1 3.32Å; E260-R313 IonicContact OE2-NH2 2.9Å; L263-R313 HydrophobicContact CD2-CG 3.53Å; G309-R313 PolarHBondContact O-N 3.08Å; I310-R313 PolarHBondContact O-N 2.84Å; R313-Q315 VanDerWaalsContact C-N 3.29Å; R313-Q315 PolarHBondContact O-N 3.27Å; R313-K316 PolarHBondContact O-N 2.94Å; R313-E317 HydrophobicContact CG-CG 4.44Å; R313-E317 IonicContact CZ-OE1 3.51Å; R313-E317 IonicContact NE-OE1 3.7Å; R313-E317 PolarHBondContact NE-OE1 3.45Å; R313-E317 IonicContact NH2-OE1 2.95Å; R313-E317 PolarHBondContact NH2-OE1 3.4Å; R313-E317 WeakPolarHBondContact O-CG 3.32Å; R313-E317 PolarHBondContact O-N 3.5Å
314M98.5Very high97.8Very high0 Ų045.4 Ų45.40%026%0.262CS..Hα-helixtrans-59.1-40.6174.9-76.5-65.5-63.600111.8L154 I275 H276 I310 S311 E317 I318 I330L154-M314 HydrophobicContact CD2-CE 3.63Å; L154-M314 HydrophobicContact CD2-SD 4.17Å; I275-M314 HydrophobicContact CD1-CG 4.5Å; I275-M314 HydrophobicContact CD1-SD 3.7Å; I275-M314 HydrophobicContact CG1-SD 3.92Å; H276-M314 HydrophobicContact CB-CE 4.21Å; H276-M314 HydrophobicContact CB-SD 3.8Å; I310-M314 HydrophobicContact CG1-CG 4.26Å; I310-M314 VanDerWaalsContact O-CB 3.29Å; I310-M314 WeakPolarHBondContact O-CB 3.35Å; I310-M314 VanDerWaalsContact O-CG 3.24Å; I310-M314 WeakPolarHBondContact O-CG 3.43Å; I310-M314 PolarHBondContact O-N 3.37Å; S311-M314 PolarHBondContact O-N 3.23Å; M314-E317 PolarHBondContact O-N 3.33Å; M314-I318 HydrophobicContact CE-CD1 4.38Å; M314-I318 HydrophobicContact CE-CG1 4.2Å; M314-I318 WeakPolarHBondContact O-CB 3.04Å; M314-I318 WeakPolarHBondContact O-CG1 3.39Å; M314-I318 PolarHBondContact O-N 3.34Å; M314-I330 HydrophobicContact CB-CD1 4.21Å; M314-I330 HydrophobicContact CB-CG1 4.22Å
315Q98.5Very high97.5Very high57 Ų5751.1 Ų51.127%0.26630%0.297SS..Hα-helixtrans-59.7-47.9175.5-177.972.255.100111.1S311 D312 R313 C319 I328 I330S311-Q315 WeakPolarHBondContact O-CB 3.41Å; S311-Q315 PolarHBondContact O-N 3.3Å; D312-Q315 WeakPolarHBondContact O-CB 3.42Å; D312-Q315 PolarHBondContact O-N 2.9Å; R313-Q315 VanDerWaalsContact C-N 3.29Å; R313-Q315 PolarHBondContact O-N 3.27Å; Q315-C319 PolarHBondContact NE2-SG 3Å; Q315-C319 VanDerWaalsContact NE2-SG 3.35Å; Q315-C319 VanDerWaalsContact O-CB 3.25Å; Q315-C319 WeakPolarHBondContact O-CB 3.44Å; Q315-C319 PolarHBondContact O-N 3.22Å; Q315-C319 PolarHBondContact O-SG 2.95Å; Q315-I328 PolarHBondContact NE2-O 3.34Å; Q315-I330 HydrophobicContact CB-CG1 3.83Å
316K98.3Very high97.3Very high63 Ų6353.4 Ų53.427%0.27431%0.308SS..Hα-helixtrans-58.4-52.6176.5177.2-178.9170.6-176.40111.4L222 D223 D312 R313 C319 N320L222-K316 HydrophobicContact CD1-CB 4.13Å; L222-K316 HydrophobicContact CD1-CD 3.87Å; L222-K316 HydrophobicContact CG-CD 4.23Å; L222-K316 WeakPolarHBondContact O-CD 3.22Å; L222-K316 PolarHBondContact O-NZ 2.92Å; D223-K316 IonicContact OD2-NZ 2.66Å; D223-K316 PolarHBondContact OD2-NZ 3.4Å; D223-K316 VanDerWaalsContact OD2-NZ 3.1Å; D312-K316 PolarHBondContact O-N 2.82Å; R313-K316 PolarHBondContact O-N 2.94Å; K316-C319 PolarHBondContact O-N 3.27Å; K316-N320 VanDerWaalsContact O-CG 3.3Å; K316-N320 PolarHBondContact O-N 2.85Å; K316-N320 VanDerWaalsContact O-N 3.14Å; K316-N320 PolarHBondContact O-ND2 3.01Å
317E98.4Very high97.2Very high34 Ų3458.4 Ų58.416%0.15933%0.328CS..Hα-helixtrans-66.9-43.6-174.9-61.6-56.2170.500112.7L263 H276 R313 M314 C319 N320 L321L263-E317 HydrophobicContact CD2-CG 4.06Å; H276-E317 HydrophobicContact CB-CB 3.75Å; H276-E317 HydrophobicContact CB-CG 4.32Å; R313-E317 HydrophobicContact CG-CG 4.44Å; R313-E317 IonicContact CZ-OE1 3.51Å; R313-E317 IonicContact NE-OE1 3.7Å; R313-E317 PolarHBondContact NE-OE1 3.45Å; R313-E317 IonicContact NH2-OE1 2.95Å; R313-E317 PolarHBondContact NH2-OE1 3.4Å; R313-E317 WeakPolarHBondContact O-CG 3.32Å; R313-E317 PolarHBondContact O-N 3.5Å; M314-E317 PolarHBondContact O-N 3.33Å; E317-C319 VanDerWaalsContact C-N 3.33Å; E317-C319 PolarHBondContact O-N 2.94Å; E317-N320 PolarHBondContact O-N 2.79Å; E317-N320 VanDerWaalsContact O-N 3.15Å; E317-L321 WeakPolarHBondContact O-CG 3.35Å; E317-L321 PolarHBondContact O-N 3.44Å; E317-L321 VanDerWaalsContact O-N 3.08Å
318I98.2Very high97.2Very high0 Ų058.4 Ų58.40%033%0.329CS..Hα-helixtrans-67.5-35.3178.2-61-65.4000111.1H276 T279 Y295 I298 M314 N320 L321 A322 I328H276-I318 HydrophobicContact CB-CD1 4.31Å; H276-I318 WeakPolarHBondContact O-CD1 3.33Å; T279-I318 HydrophobicContact CG2-CD1 4.34Å; Y295-I318 HydrophobicContact CD1-CG2 4.04Å; Y295-I318 HydrophobicContact CE1-CG2 3.99Å; I298-I318 HydrophobicContact CD1-CG1 4.37Å; I298-I318 HydrophobicContact CD1-CG2 3.87Å; M314-I318 HydrophobicContact CE-CD1 4.38Å; M314-I318 HydrophobicContact CE-CG1 4.2Å; M314-I318 WeakPolarHBondContact O-CB 3.04Å; M314-I318 WeakPolarHBondContact O-CG1 3.39Å; M314-I318 PolarHBondContact O-N 3.34Å; I318-N320 VanDerWaalsContact C-N 3.27Å; I318-N320 PolarHBondContact O-N 2.87Å; I318-L321 PolarHBondContact O-N 3.15Å; I318-A322 HydrophobicContact CG2-CB 4.48Å; I318-A322 WeakPolarHBondContact O-CB 3.31Å; I318-A322 PolarHBondContact O-N 2.87Å; I318-I328 HydrophobicContact CB-CG2 4.01Å; I318-I328 HydrophobicContact CG2-CD1 4.09Å; I318-I328 HydrophobicContact CG2-CG1 4.2Å; I318-I328 HydrophobicContact CG2-CG2 3.61Å
319C97.5Very high97.1Very high61 Ų6159.1 Ų59.141%0.41232%0.323SS..Hα-helixtrans-61.2-34.5172.4-81.60000113Q315 K316 E317Q315-C319 PolarHBondContact NE2-SG 3Å; Q315-C319 VanDerWaalsContact NE2-SG 3.35Å; Q315-C319 VanDerWaalsContact O-CB 3.25Å; Q315-C319 WeakPolarHBondContact O-CB 3.44Å; Q315-C319 PolarHBondContact O-N 3.22Å; Q315-C319 PolarHBondContact O-SG 2.95Å; K316-C319 PolarHBondContact O-N 3.27Å; E317-C319 VanDerWaalsContact C-N 3.33Å; E317-C319 PolarHBondContact O-N 2.94Å
320N97.6Very high97.1Very high114 Ų11458.5 Ų58.561%0.6131%0.313SS*.Hα-helixtrans-74.8-32.6177.9-67.6-22.4000112.6K316 E317 I318K316-N320 VanDerWaalsContact O-CG 3.3Å; K316-N320 PolarHBondContact O-N 2.85Å; K316-N320 VanDerWaalsContact O-N 3.14Å; K316-N320 PolarHBondContact O-ND2 3.01Å; E317-N320 PolarHBondContact O-N 2.79Å; E317-N320 VanDerWaalsContact O-N 3.15Å; I318-N320 VanDerWaalsContact C-N 3.27Å; I318-N320 PolarHBondContact O-N 2.87Å
321L97.8Very high97.1Very high59 Ų5959.4 Ų59.431%0.30932%0.319SS..Hα-helixtrans-84.8-36.3-179.5-67173.5000113.1E277 Y280 E317 I318E277-L321 HydrophobicContact CG-CD1 4.14Å; Y280-L321 HydrophobicContact CD1-CB 4.47Å; Y280-L321 HydrophobicContact CD2-CB 3.69Å; Y280-L321 HydrophobicContact CE2-CB 4.08Å; Y280-L321 WeakPolarHBondContact CE2-O 3.21Å; Y280-L321 HydrophobicContact CG-CB 3.91Å; Y280-L321 HydrophobicContact CG-CD1 4.16Å; E317-L321 WeakPolarHBondContact O-CG 3.35Å; E317-L321 PolarHBondContact O-N 3.44Å; E317-L321 VanDerWaalsContact O-N 3.08Å; I318-L321 PolarHBondContact O-N 3.15Å
322A96.3Very high97.1Very high9 Ų959.6 Ų59.67%0.07432%0.322CS..SBendtrans-77154.8-174.300000112.7Y295 I318 T324 I328Y295-A322 HydrophobicContact CD1-CB 4.23Å; Y295-A322 HydrophobicContact CE1-CB 3.64Å; Y295-A322 HydrophobicContact CE2-CB 4.33Å; I318-A322 HydrophobicContact CG2-CB 4.48Å; I318-A322 WeakPolarHBondContact O-CB 3.31Å; I318-A322 PolarHBondContact O-N 2.87Å; A322-T324 PolarHBondContact O-N 3.44Å; A322-I328 HydrophobicContact CB-CD1 3.65Å; A322-I328 HydrophobicContact CB-CG1 4.31Å
323P94.3Very high97Very high57 Ų5755.2 Ų55.237%0.3730%0.299SS..  trans-56.7139.4171.5-22.532.6000111.8T325 M326P323-T325 PolarHBondContact O-N 3.28Å; P323-M326 HydrophobicContact CB-CG 4.17Å; P323-M326 HydrophobicContact CG-CG 4.31Å; P323-M326 WeakPolarHBondContact O-CB 3.5Å; P323-M326 PolarHBondContact O-N 3.34Å
324T93.2Very high96.9Very high150 Ų15059.5 Ų59.592%0.9233%0.329SS*.THydrogen-bonded Turntrans-61.5-16.4-175.854.50000114.7A322 M326A322-T324 PolarHBondContact O-N 3.44Å; T324-M326 VanDerWaalsContact C-N 3.33Å
325T92.9Very high96.8Very high126 Ų12663.1 Ų63.177%0.77335%0.345SS*.THydrogen-bonded Turntrans-79.3-14.117554.10000113.4P323P323-T325 PolarHBondContact O-N 3.28Å
326M94.1Very high96.7Very high47 Ų4761.8 Ų61.823%0.23234%0.338CS..SBendtrans-85.3132.1-177.7-63-63.1179.700111.1K292 Y295 P323 T324 I328K292-M326 HydrophobicContact CB-SD 4.18Å; Y295-M326 HydrophobicContact CD2-CB 3.92Å; Y295-M326 HydrophobicContact CD2-CG 3.66Å; Y295-M326 HydrophobicContact CD2-SD 3.94Å; Y295-M326 HydrophobicContact CE2-CB 4.44Å; Y295-M326 HydrophobicContact CE2-CG 3.91Å; Y295-M326 HydrophobicContact CE2-SD 4.47Å; Y295-M326 HydrophobicContact CG-CB 4.31Å; P323-M326 HydrophobicContact CB-CG 4.17Å; P323-M326 HydrophobicContact CG-CG 4.31Å; P323-M326 WeakPolarHBondContact O-CB 3.5Å; P323-M326 PolarHBondContact O-N 3.34Å; T324-M326 VanDerWaalsContact C-N 3.33Å; M326-I328 HydrophobicContact CB-CD1 3.92Å; M326-I328 PolarHBondContact O-N 3.41Å
327K95.7Very high96.6Very high171 Ų17162.9 Ų62.974%0.74334%0.343SS*.  trans-86.6108.9170.3-176.3177.7180177.50109.3
328I97.9Very high96.6Very high16 Ų1664 Ų648%0.08235%0.346CS..  trans-86.3131.3179.3-48.6-48.4000109.6Y295 I298 Q315 I318 A322 M326 I330Y295-I328 HydrophobicContact CD1-CD1 3.41Å; Y295-I328 VanDerWaalsContact CD1-CD1 3.41Å; Y295-I328 HydrophobicContact CD2-CD1 4.46Å; Y295-I328 HydrophobicContact CE1-CD1 4.13Å; Y295-I328 HydrophobicContact CG-CD1 3.62Å; Y295-I328 WeakPolarHBondContact O-CA 3.35Å; I298-I328 HydrophobicContact CD1-CG2 4.18Å; Q315-I328 PolarHBondContact NE2-O 3.34Å; I318-I328 HydrophobicContact CB-CG2 4.01Å; I318-I328 HydrophobicContact CG2-CD1 4.09Å; I318-I328 HydrophobicContact CG2-CG1 4.2Å; I318-I328 HydrophobicContact CG2-CG2 3.61Å; A322-I328 HydrophobicContact CB-CD1 3.65Å; A322-I328 HydrophobicContact CB-CG1 4.31Å; M326-I328 HydrophobicContact CB-CD1 3.92Å; M326-I328 PolarHBondContact O-N 3.41Å; I328-I330 HydrophobicContact CG2-CD1 4.41Å
329K98.1Very high96.6Very high98 Ų9864 Ų6443%0.42635%0.346SS..  trans-138.6115.6173.7-179.3-174.3-179-175.30110.3Y295 S296 I298 V331Y295-K329 PolarHBondContact O-N 3.25Å; S296-K329 WeakPolarHBondContact O-CB 3.41Å; I298-K329 PolarHBondContact N-O 2.93Å; I298-K329 VanDerWaalsContact N-O 3.14Å; K329-V331 HydrophobicContact CD-CG2 4.36Å; K329-V331 HydrophobicContact CG-CG2 4.29Å
330I98.4Very high96.6Very high17 Ų1761.5 Ų61.59%0.08733%0.328CS..EExtended strand (participates in β ladder)trans-85.1133.2168.2-49.8-53.2000109.6I298 L300 S311 M314 Q315 I328I298-I330 HydrophobicContact CB-CD1 3.73Å; I298-I330 HydrophobicContact CD1-CD1 3.75Å; I298-I330 HydrophobicContact CG1-CD1 4.29Å; I298-I330 HydrophobicContact CG2-CD1 3.75Å; I298-I330 CarbonylContact O-C 3.59Å; I298-I330 WeakPolarHBondContact O-CA 3.37Å; L300-I330 HydrophobicContact CD1-CG2 3.78Å; L300-I330 HydrophobicContact CD2-CG2 4.16Å; L300-I330 HydrophobicContact CG-CG2 3.74Å; S311-I330 WeakPolarHBondContact OG-CG2 3.18Å; M314-I330 HydrophobicContact CB-CD1 4.21Å; M314-I330 HydrophobicContact CB-CG1 4.22Å; Q315-I330 HydrophobicContact CB-CG1 3.83Å; I328-I330 HydrophobicContact CG2-CD1 4.41Å
331V98Very high96.7Very high21 Ų2156 Ų5613%0.12730%0.299CS..EExtended strand (participates in β ladder)trans-117.4114176.1-178.70000107.7I298 V299 L300 K329 P333I298-V331 PolarHBondContact O-N 3.11Å; V299-V331 WeakPolarHBondContact CA-O 3.27Å; V299-V331 HydrophobicContact CG2-CB 4.19Å; L300-V331 PolarHBondContact N-O 2.9Å; K329-V331 HydrophobicContact CD-CG2 4.36Å; K329-V331 HydrophobicContact CG-CG2 4.29Å; V331-P333 HydrophobicContact CG1-CG 4.46Å; V331-P333 WeakPolarHBondContact O-CD 3.44Å
332A97.7Very high96.7Very high34 Ų3454.3 Ų54.328%0.28129%0.29SS..  trans-122.686.1-179.600000109.8L300L300-A332 HydrophobicContact CB-CB 4.36Å; L300-A332 HydrophobicContact CD1-CB 4.04Å; L300-A332 HydrophobicContact CG-CB 4.39Å
333P96.8Very high96.7Very high15 Ų1553.9 Ų53.910%0.09729%0.287CS..  trans-55.2141.2176.7-22.432.9000111V331 E335 R336V331-P333 HydrophobicContact CG1-CG 4.46Å; V331-P333 WeakPolarHBondContact O-CD 3.44Å; P333-E335 WeakPolarHBondContact CB-OE1 3.26Å; P333-E335 PolarHBondContact O-N 2.9Å; P333-R336 HydrophobicContact CB-CB 4.22Å; P333-R336 HydrophobicContact CG-CB 4.49Å; P333-R336 WeakPolarHBondContact O-CB 3.33Å; P333-R336 VanDerWaalsContact O-CD 3.32Å; P333-R336 WeakPolarHBondContact O-CD 3.29Å; P333-R336 WeakPolarHBondContact O-CG 3.29Å; P333-R336 PolarHBondContact O-N 3.03Å; P333-R336 VanDerWaalsContact O-N 3.13Å; P333-R336 PolarHBondContact O-NH1 3.03Å
334P96.6Very high96.9Very high101 Ų10151.2 Ų51.266%0.65627%0.269SS*.THydrogen-bonded Turntrans-63.2-33-178.217-21.9000112.5R336P334-R336 VanDerWaalsContact C-N 3.31Å; P334-R336 PolarHBondContact O-N 3.19Å
335E95.6Very high97.1Very high75 Ų7544.2 Ų44.235%0.3523%0.227SC..THydrogen-bonded Turntrans-87.714176.669.1-69158.300113.9P333 K337 Y338 I342P333-E335 WeakPolarHBondContact CB-OE1 3.26Å; P333-E335 PolarHBondContact O-N 2.9Å; E335-K337 PolarHBondContact O-N 3.19Å; E335-Y338 WeakPolarHBondContact O-CA 3.47Å; E335-Y338 PolarHBondContact O-N 3.4Å; E335-I342 HydrophobicContact CB-CD1 4.18Å; E335-I342 HydrophobicContact CG-CD1 3.43Å; E335-I342 VanDerWaalsContact CG-CD1 3.43Å
336R97.2Very high97.3Very high29 Ų2941.6 Ų41.611%0.10921%0.207CC..G310 helixtrans-58.3-17.2-171.766.6-170.5172.5-78.70.9117.1L300 G302 T305 M306 P333 P334 Y338 S339L300-R336 WeakPolarHBondContact O-CB 3.49Å; G302-R336 PolarHBondContact N-O 2.83Å; T305-R336 VanDerWaalsContact O-CZ 3.29Å; T305-R336 PolarHBondContact O-NE 2.85Å; T305-R336 PolarHBondContact O-NH2 3.49Å; T305-R336 WeakPolarHBondContact OG1-CD 3.27Å; T305-R336 PolarHBondContact OG1-NE 3.43Å; M306-R336 HydrophobicContact SD-CG 3.48Å; M306-R336 WeakPolarHBondContact SD-CG 3.17Å; P333-R336 HydrophobicContact CB-CB 4.22Å; P333-R336 HydrophobicContact CG-CB 4.49Å; P333-R336 WeakPolarHBondContact O-CB 3.33Å; P333-R336 VanDerWaalsContact O-CD 3.32Å; P333-R336 WeakPolarHBondContact O-CD 3.29Å; P333-R336 WeakPolarHBondContact O-CG 3.29Å; P333-R336 PolarHBondContact O-N 3.03Å; P333-R336 VanDerWaalsContact O-N 3.13Å; P333-R336 PolarHBondContact O-NH1 3.03Å; P334-R336 VanDerWaalsContact C-N 3.31Å; P334-R336 PolarHBondContact O-N 3.19Å; R336-Y338 PolarHBondContact O-N 3.4Å; R336-S339 VanDerWaalsContact CA-OG 3.3Å; R336-S339 WeakPolarHBondContact CA-OG 3.41Å; R336-S339 PolarHBondContact O-N 3.38Å
337K96.9Very high97.3Very high86 Ų8640.4 Ų40.437%0.37420%0.202SC..G310 helixtrans-61.1-20.7166.857.2168.5172.1165.40113.4K19 M306 E335K19-K337 WeakPolarHBondContact CE-O 3.45Å; M306-K337 HydrophobicContact CE-CG 4.47Å; M306-K337 HydrophobicContact CG-CB 4.05Å; M306-K337 HydrophobicContact SD-CB 4.08Å; M306-K337 HydrophobicContact SD-CG 4.34Å; E335-K337 PolarHBondContact O-N 3.19Å
338Y97.7Very high97.3Very high58 Ų5832.7 Ų32.723%0.22717%0.17CC..G310 helixtrans-116.12.4-179.2-53.2-39000113.1K19 P28 V31 E335 R336 V340 W341 I342K19-Y338 HydrophobicContact CD-CD1 3.68Å; K19-Y338 HydrophobicContact CD-CE1 4.23Å; P28-Y338 HydrophobicContact CG-CD1 4.26Å; P28-Y338 HydrophobicContact CG-CG 4.37Å; V31-Y338 HydrophobicContact CG2-CE1 4.09Å; E335-Y338 WeakPolarHBondContact O-CA 3.47Å; E335-Y338 PolarHBondContact O-N 3.4Å; R336-Y338 PolarHBondContact O-N 3.4Å; Y338-V340 VanDerWaalsContact C-N 3.26Å; Y338-V340 PolarHBondContact O-N 3.07Å; Y338-V340 VanDerWaalsContact O-N 3.16Å; Y338-W341 PolarHBondContact O-N 3.08Å; Y338-I342 WeakPolarHBondContact O-CG1 3.38Å; Y338-I342 PolarHBondContact O-N 2.97Å
339S98.1Very high97.1Very high0 Ų035.2 Ų35.20%019%0.189CC..Hα-helixtrans-52.1-41.5-175.8-81.30000113.5A145 R336 W341 I342 G343A145-S339 WeakPolarHBondContact CB-O 3.39Å; R336-S339 VanDerWaalsContact CA-OG 3.3Å; R336-S339 WeakPolarHBondContact CA-OG 3.41Å; R336-S339 PolarHBondContact O-N 3.38Å; S339-W341 PolarHBondContact O-N 2.81Å; S339-I342 PolarHBondContact O-N 3.5Å; S339-G343 PolarHBondContact O-N 3.44Å
340V98.2Very high96.9Very high8 Ų834.1 Ų34.15%0.04819%0.187CC..Hα-helixtrans-56.4-52.2176.7174.80000111D12 T107 Q138 L141 S142 Y338 G343 G344D12-V340 HydrophobicContact CB-CG1 4.11Å; D12-V340 WeakPolarHBondContact OD1-CG1 3.22Å; T107-V340 HydrophobicContact CG2-CG1 3.8Å; Q138-V340 HydrophobicContact CB-CG1 3.91Å; Q138-V340 HydrophobicContact CB-CG2 3.95Å; Q138-V340 HydrophobicContact CG-CG1 3.75Å; Q138-V340 HydrophobicContact CG-CG2 4.44Å; L141-V340 WeakPolarHBondContact CB-O 3.42Å; L141-V340 HydrophobicContact CD1-CG1 4.33Å; S142-V340 WeakPolarHBondContact OG-CG2 3.13Å; S142-V340 PolarHBondContact OG-N 2.94Å; Y338-V340 VanDerWaalsContact C-N 3.26Å; Y338-V340 PolarHBondContact O-N 3.07Å; Y338-V340 VanDerWaalsContact O-N 3.16Å; V340-G343 PolarHBondContact O-N 3.1Å; V340-G344 PolarHBondContact O-N 3.42Å
341W98.6Very high96.4Very high0 Ų037.9 Ų37.90%022%0.215CC..Hα-helixtrans-67-42.3-177.9-17691.5000111.3V10 D12 K19 D25 A27 P28 Y338 S339 G343 G344 S345V10-W341 HydrophobicContact CG1-CG 4.25Å; V10-W341 PolarHBondContact O-NE1 3.19Å; D12-W341 HydrophobicContact CB-CB 4.17Å; K19-W341 HydrophobicContact CB-CB 4.41Å; K19-W341 HydrophobicContact CB-CG 4.37Å; D25-W341 HydrophobicContact CB-CH2 3.87Å; D25-W341 WeakPolarHBondContact O-CH2 3.43Å; D25-W341 WeakPolarHBondContact O-CZ3 3.25Å; A27-W341 VanDerWaalsContact C-CH2 3.45Å; A27-W341 VanDerWaalsContact O-CH2 3.32Å; A27-W341 WeakPolarHBondContact O-CH2 3.41Å; P28-W341 HydrophobicContact CB-CD2 3.75Å; P28-W341 HydrophobicContact CB-CE3 4.19Å; P28-W341 HydrophobicContact CB-CG 4.03Å; P28-W341 HydrophobicContact CB-CZ2 4.42Å; P28-W341 HydrophobicContact CG-CD2 4.3Å; P28-W341 HydrophobicContact CG-CE3 4.39Å; Y338-W341 PolarHBondContact O-N 3.08Å; S339-W341 PolarHBondContact O-N 2.81Å; W341-G343 VanDerWaalsContact C-N 3.31Å; W341-G343 PolarHBondContact O-N 3.24Å; W341-G344 CarbonylContact O-C 3.52Å; W341-G344 WeakPolarHBondContact O-CA 3.43Å; W341-G344 PolarHBondContact O-N 3.42Å; W341-G344 VanDerWaalsContact O-N 3.13Å; W341-S345 PolarHBondContact O-N 3.42Å
342I98.2Very high96Very high23 Ų2342 Ų4212%0.11824%0.24CC..Hα-helixtrans-60-43.4176.8-66.9168.3000110.4A145 E335 Y338 S339 G344 S345 I346A145-I342 HydrophobicContact CB-CB 4.08Å; A145-I342 HydrophobicContact CB-CG2 3.89Å; E335-I342 HydrophobicContact CB-CD1 4.18Å; E335-I342 HydrophobicContact CG-CD1 3.43Å; E335-I342 VanDerWaalsContact CG-CD1 3.43Å; Y338-I342 WeakPolarHBondContact O-CG1 3.38Å; Y338-I342 PolarHBondContact O-N 2.97Å; S339-I342 PolarHBondContact O-N 3.5Å; I342-G344 VanDerWaalsContact C-N 3.31Å; I342-G344 PolarHBondContact O-N 3.04Å; I342-S345 WeakPolarHBondContact O-CB 3.47Å; I342-S345 PolarHBondContact O-N 2.83Å; I342-I346 HydrophobicContact CG2-CD1 3.95Å; I342-I346 WeakPolarHBondContact O-CG1 3.32Å; I342-I346 PolarHBondContact O-N 2.89Å
343G97.6Very high95.7Very high0 Ų040.8 Ų40.80%023%0.229CC..Hα-helixtrans-62.1-39.3175.700000112.9L141 S339 V340 W341 L347L141-G343 VanDerWaalsContact O-CA 3.26Å; L141-G343 WeakPolarHBondContact O-CA 3.49Å; S339-G343 PolarHBondContact O-N 3.44Å; V340-G343 PolarHBondContact O-N 3.1Å; W341-G343 VanDerWaalsContact C-N 3.31Å; W341-G343 PolarHBondContact O-N 3.24Å; G343-L347 VanDerWaalsContact O-CB 3.27Å; G343-L347 WeakPolarHBondContact O-CB 3.34Å; G343-L347 PolarHBondContact O-N 3.43Å
344G97.7Very high95.3Very high0 Ų044.8 Ų44.80%025%0.249CC..Hα-helixtrans-64.6-41.7172.500000112.6V340 W341 I342 L347 A348V340-G344 PolarHBondContact O-N 3.42Å; W341-G344 CarbonylContact O-C 3.52Å; W341-G344 WeakPolarHBondContact O-CA 3.43Å; W341-G344 PolarHBondContact O-N 3.42Å; W341-G344 VanDerWaalsContact O-N 3.13Å; I342-G344 VanDerWaalsContact C-N 3.31Å; I342-G344 PolarHBondContact O-N 3.04Å; G344-L347 PolarHBondContact O-N 2.95Å; G344-A348 VanDerWaalsContact O-CB 3.24Å; G344-A348 WeakPolarHBondContact O-CB 3.38Å; G344-A348 PolarHBondContact O-N 2.75Å
345S97.7Very high95Very high4 Ų448 Ų483%0.02826%0.256CS..Hα-helixtrans-60.5-47.7176.2-179.90000111.2G24 D25 W341 I342 S349G24-S345 PolarHBondContact N-O 2.86Å; G24-S345 PolarHBondContact N-OG 3.41Å; D25-S345 PolarHBondContact N-OG 3.17Å; D25-S345 PolarHBondContact O-OG 3.33Å; W341-S345 PolarHBondContact O-N 3.42Å; I342-S345 WeakPolarHBondContact O-CB 3.47Å; I342-S345 PolarHBondContact O-N 2.83Å; S345-S349 VanDerWaalsContact O-CB 3.31Å; S345-S349 WeakPolarHBondContact O-CB 3.49Å; S345-S349 PolarHBondContact O-N 3.43Å; S345-S349 VanDerWaalsContact O-N 3.13Å; S345-S349 PolarHBondContact O-OG 2.93Å
346I95.8Very high94.9Very high70 Ų7047.9 Ų47.936%0.35926%0.256SS..Hα-helixtrans-60.4-55.1175-66.8165.6000109.9I342 A348 S349 L350I342-I346 HydrophobicContact CG2-CD1 3.95Å; I342-I346 WeakPolarHBondContact O-CG1 3.32Å; I342-I346 PolarHBondContact O-N 2.89Å; I346-A348 PolarHBondContact O-N 3.15Å; I346-S349 PolarHBondContact O-N 3.08Å; I346-S349 VanDerWaalsContact O-N 3.1Å; I346-S349 PolarHBondContact O-OG 3.14Å; I346-L350 WeakPolarHBondContact O-CG 3.43Å; I346-L350 PolarHBondContact O-N 3.21Å
347L95.2Very high94.9Very high23 Ų2347.2 Ų47.212%0.1225%0.253CS..Hα-helixtrans-57.5-47.7-175.7-17963.2000112.2L105 L141 Y144 G343 G344 S349 L350 F353L105-L347 HydrophobicContact CD1-CD2 4.22Å; L141-L347 HydrophobicContact CD2-CB 4.32Å; L141-L347 HydrophobicContact CD2-CD2 3.62Å; Y144-L347 HydrophobicContact CD2-CD1 4.45Å; Y144-L347 HydrophobicContact CE2-CD1 4.12Å; Y144-L347 HydrophobicContact CE2-CD2 4.42Å; G343-L347 VanDerWaalsContact O-CB 3.27Å; G343-L347 WeakPolarHBondContact O-CB 3.34Å; G343-L347 PolarHBondContact O-N 3.43Å; G344-L347 PolarHBondContact O-N 2.95Å; L347-S349 PolarHBondContact O-N 2.88Å; L347-L350 HydrophobicContact CD1-CD1 4.35Å; L347-L350 PolarHBondContact O-N 3.49Å; L347-F353 HydrophobicContact CD1-CD2 3.57Å; L347-F353 HydrophobicContact CD1-CE2 3.84Å; L347-F353 HydrophobicContact CD1-CG 4.29Å; L347-F353 HydrophobicContact CD2-CD2 4.31Å; L347-F353 HydrophobicContact CD2-CE2 3.73Å; L347-F353 HydrophobicContact CD2-CZ 4.08Å; L347-F353 HydrophobicContact CG-CD2 3.7Å; L347-F353 HydrophobicContact CG-CE2 3.61Å; L347-F353 HydrophobicContact CG-CG 4.24Å; L347-F353 HydrophobicContact CG-CZ 4.06Å; L347-F353 VanDerWaalsContact O-CB 3.27Å; L347-F353 WeakPolarHBondContact O-CB 3.48Å; L347-F353 WeakPolarHBondContact O-CG 3.43Å
348A95.8Very high95Very high9 Ų943.1 Ų43.17%0.07424%0.235CC..Hα-helixtrans-71.1-17.6-179.100000113.5A8 V10 A23 L105 G344 I346 W357A8-A348 HydrophobicContact CB-CB 4.15Å; V10-A348 HydrophobicContact CG2-CB 4.17Å; A23-A348 HydrophobicContact CB-CB 3.63Å; L105-A348 HydrophobicContact CD1-CB 4.12Å; G344-A348 VanDerWaalsContact O-CB 3.24Å; G344-A348 WeakPolarHBondContact O-CB 3.38Å; G344-A348 PolarHBondContact O-N 2.75Å; I346-A348 PolarHBondContact O-N 3.15Å; A348-W357 HydrophobicContact CB-CH2 4.24Å; A348-W357 HydrophobicContact CB-CZ2 4.08Å
349S94Very high95Very high68 Ų6842.9 Ų42.948%0.47624%0.24SC..Hα-helixtrans-85.9-10174.3740000114S345 I346 L347 S351S345-S349 VanDerWaalsContact O-CB 3.31Å; S345-S349 WeakPolarHBondContact O-CB 3.49Å; S345-S349 PolarHBondContact O-N 3.43Å; S345-S349 VanDerWaalsContact O-N 3.13Å; S345-S349 PolarHBondContact O-OG 2.93Å; I346-S349 PolarHBondContact O-N 3.08Å; I346-S349 VanDerWaalsContact O-N 3.1Å; I346-S349 PolarHBondContact O-OG 3.14Å; L347-S349 PolarHBondContact O-N 2.88Å; S349-S351 PolarHBondContact O-N 3.18Å
350L92.5Very high94.9Very high75 Ų7546.2 Ų46.239%0.39326%0.255SS..  trans-75126.3179.7-61.7177.9000110.6I346 L347 T352 F353I346-L350 WeakPolarHBondContact O-CG 3.43Å; I346-L350 PolarHBondContact O-N 3.21Å; L347-L350 HydrophobicContact CD1-CD1 4.35Å; L347-L350 PolarHBondContact O-N 3.49Å; L350-T352 PolarHBondContact O-N 2.92Å; L350-T352 VanDerWaalsContact O-N 3.15Å; L350-F353 HydrophobicContact CB-CB 4.14Å; L350-F353 WeakPolarHBondContact O-CB 3.46Å; L350-F353 PolarHBondContact O-N 3.32Å
351S89.1Confident94.9Very high97 Ų9752.1 Ų52.168%0.67828%0.282SS*.G310 helixtrans-58.5-30.6175.958.80000113.5S349 F353 N354S349-S351 PolarHBondContact O-N 3.18Å; S351-F353 PolarHBondContact O-N 2.91Å; S351-N354 WeakPolarHBondContact O-CB 3.25Å; S351-N354 PolarHBondContact O-N 2.66Å; S351-N354 PolarHBondContact O-ND2 2.84Å
352T89.1Confident94.9Very high107 Ų10754.3 Ų54.366%0.65629%0.292SS*.G310 helixtrans-69-21.7174.5520000113.2L350 N354L350-T352 PolarHBondContact O-N 2.92Å; L350-T352 VanDerWaalsContact O-N 3.15Å; T352-N354 VanDerWaalsContact C-N 3.26Å; T352-N354 PolarHBondContact O-N 3.12Å
353F91Very high94.9Very high9 Ų953.8 Ų53.84%0.03929%0.289CS..G310 helixtrans-75.2-16.5179-169.3-107.1000112.6L105 Y134 L347 L350 S351 Q355 M356 W357L105-F353 HydrophobicContact CD1-CE1 4.27Å; L105-F353 HydrophobicContact CD1-CZ 4.19Å; Y134-F353 HydrophobicContact CD1-CE2 4.26Å; Y134-F353 AromaticContact CD1-CZ 3.61Å; Y134-F353 HydrophobicContact CD1-CZ 3.61Å; Y134-F353 HydrophobicContact CD2-CE2 4.43Å; Y134-F353 AromaticContact CD2-CZ 3.91Å; Y134-F353 HydrophobicContact CD2-CZ 3.91Å; Y134-F353 HydrophobicContact CE1-CE2 4.19Å; Y134-F353 HydrophobicContact CE1-CZ 4Å; Y134-F353 HydrophobicContact CE2-CE2 4.36Å; Y134-F353 HydrophobicContact CE2-CZ 4.28Å; Y134-F353 HydrophobicContact CG-CE1 4.36Å; Y134-F353 HydrophobicContact CG-CE2 4.38Å; Y134-F353 AromaticContact CG-CZ 3.56Å; Y134-F353 HydrophobicContact CG-CZ 3.56Å; L347-F353 HydrophobicContact CD1-CD2 3.57Å; L347-F353 HydrophobicContact CD1-CE2 3.84Å; L347-F353 HydrophobicContact CD1-CG 4.29Å; L347-F353 HydrophobicContact CD2-CD2 4.31Å; L347-F353 HydrophobicContact CD2-CE2 3.73Å; L347-F353 HydrophobicContact CD2-CZ 4.08Å; L347-F353 HydrophobicContact CG-CD2 3.7Å; L347-F353 HydrophobicContact CG-CE2 3.61Å; L347-F353 HydrophobicContact CG-CG 4.24Å; L347-F353 HydrophobicContact CG-CZ 4.06Å; L347-F353 VanDerWaalsContact O-CB 3.27Å; L347-F353 WeakPolarHBondContact O-CB 3.48Å; L347-F353 WeakPolarHBondContact O-CG 3.43Å; L350-F353 HydrophobicContact CB-CB 4.14Å; L350-F353 WeakPolarHBondContact O-CB 3.46Å; L350-F353 PolarHBondContact O-N 3.32Å; S351-F353 PolarHBondContact O-N 2.91Å; F353-Q355 PolarHBondContact O-N 3.46Å; F353-M356 HydrophobicContact CD2-CB 3.8Å; F353-M356 HydrophobicContact CD2-CG 3.94Å; F353-M356 HydrophobicContact CE2-CB 3.73Å; F353-M356 HydrophobicContact CE2-CG 4.19Å; F353-M356 HydrophobicContact CG-CB 4.37Å; F353-M356 HydrophobicContact CZ-CB 4.26Å; F353-M356 WeakPolarHBondContact O-CB 3.38Å; F353-M356 PolarHBondContact O-N 3.24Å; F353-W357 HydrophobicContact CD1-CD2 4.32Å; F353-W357 AromaticContact CD1-CE2 3.67Å; F353-W357 AromaticContact CD1-CZ2 3.79Å; F353-W357 HydrophobicContact CD1-CZ2 3.79Å; F353-W357 AromaticContact CD1-NE1 3.78Å; F353-W357 AromaticContact CE1-CD2 3.91Å; F353-W357 HydrophobicContact CE1-CD2 3.91Å; F353-W357 AromaticContact CE1-CE2 3.57Å; F353-W357 HydrophobicContact CE1-CE3 4.17Å; F353-W357 AromaticContact CE1-CH2 3.86Å; F353-W357 HydrophobicContact CE1-CH2 3.86Å; F353-W357 AromaticContact CE1-CZ2 3.55Å; F353-W357 HydrophobicContact CE1-CZ2 3.55Å; F353-W357 HydrophobicContact CE1-CZ3 4.14Å
354N88.5Confident94.9Very high99 Ų9959.2 Ų59.253%0.52932%0.318SS..G310 helixtrans-55.7-27.2-179-74-19.5000114S351 T352S351-N354 WeakPolarHBondContact O-CB 3.25Å; S351-N354 PolarHBondContact O-N 2.66Å; S351-N354 PolarHBondContact O-ND2 2.84Å; T352-N354 VanDerWaalsContact C-N 3.26Å; T352-N354 PolarHBondContact O-N 3.12Å
355Q90.6Very high94.9Very high169 Ų16965.7 Ų65.779%0.7935%0.348SS*.G310 helixtrans-82.4-14.5178.4-61.5179.20.500113.8F353F353-Q355 PolarHBondContact O-N 3.46Å
356M93.9Very high94.9Very high71 Ų7168 Ų6835%0.3536%0.364SS..THydrogen-bonded Turntrans-86.7-24.1-176.5-64.5-58.4-61.900112.9Y134 F353Y134-M356 HydrophobicContact CD2-CB 4.38Å; Y134-M356 WeakPolarHBondContact CD2-O 3.27Å; Y134-M356 HydrophobicContact CE2-CB 4.09Å; Y134-M356 HydrophobicContact CE2-CE 4.25Å; F353-M356 HydrophobicContact CD2-CB 3.8Å; F353-M356 HydrophobicContact CD2-CG 3.94Å; F353-M356 HydrophobicContact CE2-CB 3.73Å; F353-M356 HydrophobicContact CE2-CG 4.19Å; F353-M356 HydrophobicContact CG-CB 4.37Å; F353-M356 HydrophobicContact CZ-CB 4.26Å; F353-M356 WeakPolarHBondContact O-CB 3.38Å; F353-M356 PolarHBondContact O-N 3.24Å
357W96.8Very high95Very high15 Ų1565.7 Ų65.76%0.05736%0.358CS..SBendtrans-52.5141.1176.3-67.6118.6000111.5A8 P103 L105 A132 A348 F353A8-W357 HydrophobicContact CB-CH2 3.9Å; A8-W357 HydrophobicContact CB-CZ2 3.72Å; P103-W357 HydrophobicContact CB-CD2 4.35Å; P103-W357 HydrophobicContact CB-CE3 4.36Å; P103-W357 HydrophobicContact CB-CH2 4.1Å; P103-W357 HydrophobicContact CB-CZ2 4.08Å; P103-W357 HydrophobicContact CB-CZ3 4.25Å; L105-W357 HydrophobicContact CB-CH2 3.91Å; L105-W357 HydrophobicContact CB-CZ3 4.17Å; A132-W357 HydrophobicContact CB-CB 4.1Å; A132-W357 HydrophobicContact CB-CG 4.43Å; A348-W357 HydrophobicContact CB-CH2 4.24Å; A348-W357 HydrophobicContact CB-CZ2 4.08Å; F353-W357 HydrophobicContact CD1-CD2 4.32Å; F353-W357 AromaticContact CD1-CE2 3.67Å; F353-W357 AromaticContact CD1-CZ2 3.79Å; F353-W357 HydrophobicContact CD1-CZ2 3.79Å; F353-W357 AromaticContact CD1-NE1 3.78Å; F353-W357 AromaticContact CE1-CD2 3.91Å; F353-W357 HydrophobicContact CE1-CD2 3.91Å; F353-W357 AromaticContact CE1-CE2 3.57Å; F353-W357 HydrophobicContact CE1-CE3 4.17Å; F353-W357 AromaticContact CE1-CH2 3.86Å; F353-W357 HydrophobicContact CE1-CH2 3.86Å; F353-W357 AromaticContact CE1-CZ2 3.55Å; F353-W357 HydrophobicContact CE1-CZ2 3.55Å; F353-W357 HydrophobicContact CE1-CZ3 4.14Å
358I98Very high95.1Very high0 Ų066.4 Ų66.40%036%0.364CS..EExtended strand (participates in β ladder)trans-84.7118.4162.8-58.9163000105.4F125 A132 M133 I370 V371 K374F125-I358 HydrophobicContact CE2-CG2 3.89Å; F125-I358 HydrophobicContact CZ-CB 4.41Å; F125-I358 HydrophobicContact CZ-CG2 3.92Å; F125-I358 WeakPolarHBondContact CZ-O 3.28Å; A132-I358 CarbonylContact C-O 3.48Å; A132-I358 WeakPolarHBondContact CA-O 3.27Å; A132-I358 WeakPolarHBondContact CB-O 3.19Å; M133-I358 HydrophobicContact CG-CB 4.48Å; M133-I358 PolarHBondContact N-O 3.4Å; M133-I358 WeakPolarHBondContact O-CB 3.49Å; M133-I358 PolarHBondContact O-N 2.84Å; I358-I370 HydrophobicContact CD1-CG2 4.36Å; I358-I370 HydrophobicContact CG2-CG1 4.19Å; I358-I370 HydrophobicContact CG2-CG2 3.59Å; I358-V371 HydrophobicContact CD1-CB 4.15Å; I358-V371 HydrophobicContact CD1-CG2 4.18Å; I358-K374 HydrophobicContact CD1-CB 4.14Å; I358-K374 HydrophobicContact CG1-CB 3.68Å; I358-K374 HydrophobicContact CG1-CG 4.06Å
359T97.8Very high95.2Very high54 Ų5468.1 Ų68.133%0.33138%0.378SS..EExtended strand (participates in β ladder)trans-86158177.262.30000111.2Q361 E362 Y363T359-Q361 PolarHBondContact O-N 3.26Å; T359-E362 PolarHBondContact N-OE2 3.14Å; T359-E362 PolarHBondContact O-N 3.01Å; T359-E362 VanDerWaalsContact O-N 3.12Å; T359-E362 VanDerWaalsContact OG1-CG 3.32Å; T359-E362 WeakPolarHBondContact OG1-CG 3.3Å; T359-E362 PolarHBondContact OG1-N 3.36Å; T359-E362 PolarHBondContact OG1-OE2 3.49Å; T359-E362 VanDerWaalsContact OG1-OE2 3.12Å; T359-Y363 PolarHBondContact O-N 2.6Å
360K97.7Very high95.3Very high70 Ų7065.5 Ų65.530%0.30436%0.358SS..Hα-helixtrans-55.5-37.5173.5-172.5168.4-171.8164.20112.4F125 N129 P131 Y363 D364F125-K360 HydrophobicContact CD1-CB 4.01Å; F125-K360 HydrophobicContact CD1-CG 4.12Å; F125-K360 VanDerWaalsContact CE1-CA 3.44Å; F125-K360 HydrophobicContact CE1-CB 3.9Å; N129-K360 PolarHBondContact OD1-NZ 3.37Å; P131-K360 PolarHBondContact O-N 2.99Å; K360-Y363 WeakPolarHBondContact O-CB 3.43Å; K360-Y363 PolarHBondContact O-N 3.12Å; K360-D364 PolarHBondContact O-N 3.24Å
361Q97.7Very high95.6Very high131 Ų13161.9 Ų61.961%0.61234%0.34SS*.Hα-helixtrans-62.1-47.7175.1-175.7-175.2-1300112.2T359 Y363 D364 E365T359-Q361 PolarHBondContact O-N 3.26Å; Q361-Y363 VanDerWaalsContact C-N 3.25Å; Q361-Y363 PolarHBondContact O-N 3.01Å; Q361-D364 PolarHBondContact O-N 2.89Å; Q361-E365 PolarHBondContact NE2-OE1 3.31Å; Q361-E365 WeakPolarHBondContact O-CG 3.32Å; Q361-E365 PolarHBondContact O-N 2.87Å; Q361-E365 VanDerWaalsContact O-N 3.08Å
362E97.9Very high95.9Very high47 Ų4759.4 Ų59.422%0.2232%0.317CS..Hα-helixtrans-62.5-35.4177.7-72.7170.2130.200111.9T359 S366 K374T359-E362 PolarHBondContact N-OE2 3.14Å; T359-E362 PolarHBondContact O-N 3.01Å; T359-E362 VanDerWaalsContact O-N 3.12Å; T359-E362 VanDerWaalsContact OG1-CG 3.32Å; T359-E362 WeakPolarHBondContact OG1-CG 3.3Å; T359-E362 PolarHBondContact OG1-N 3.36Å; T359-E362 PolarHBondContact OG1-OE2 3.49Å; T359-E362 VanDerWaalsContact OG1-OE2 3.12Å; E362-S366 WeakPolarHBondContact O-CB 3.46Å; E362-S366 PolarHBondContact O-N 3.13Å; E362-K374 WeakPolarHBondContact OE1-CE 3.41Å; E362-K374 IonicContact OE1-NZ 3.55Å; E362-K374 PolarHBondContact OE1-NZ 3.38Å; E362-K374 IonicContact OE2-NZ 3.83Å
363Y98.2Very high96.1Very high12 Ų1262.8 Ų62.85%0.04732%0.318CS..Hα-helixtrans-64.1-48.7172.7175.5-97.4000112.1T121 F125 E126 T359 K360 Q361 E365 S366 G367 P368T121-Y363 HydrophobicContact CG2-CD2 3.79Å; T121-Y363 HydrophobicContact CG2-CE2 3.97Å; F125-Y363 HydrophobicContact CB-CD1 3.67Å; F125-Y363 HydrophobicContact CB-CD2 4.38Å; F125-Y363 HydrophobicContact CB-CE1 3.75Å; F125-Y363 HydrophobicContact CB-CE2 4.41Å; F125-Y363 HydrophobicContact CB-CG 4Å; F125-Y363 HydrophobicContact CD1-CG 4.48Å; F125-Y363 AromaticContact CD2-CD1 3.95Å; F125-Y363 HydrophobicContact CD2-CD1 3.95Å; F125-Y363 AromaticContact CD2-CD2 3.35Å; F125-Y363 HydrophobicContact CD2-CD2 3.35Å; F125-Y363 HydrophobicContact CD2-CE1 4.5Å; F125-Y363 AromaticContact CD2-CE2 3.95Å; F125-Y363 HydrophobicContact CD2-CE2 3.95Å; F125-Y363 AromaticContact CD2-CG 3.33Å; F125-Y363 HydrophobicContact CD2-CG 3.33Å; F125-Y363 AromaticContact CE2-CD2 3.87Å; F125-Y363 HydrophobicContact CE2-CD2 3.87Å; F125-Y363 AromaticContact CE2-CG 3.84Å; F125-Y363 HydrophobicContact CE2-CG 3.84Å; F125-Y363 AromaticContact CG-CD1 3.85Å; F125-Y363 HydrophobicContact CG-CD1 3.85Å; F125-Y363 HydrophobicContact CG-CD2 4.11Å; F125-Y363 HydrophobicContact CG-CE1 4.38Å; F125-Y363 AromaticContact CG-CG 3.7Å; F125-Y363 HydrophobicContact CG-CG 3.7Å; E126-Y363 HydrophobicContact CG-CE1 4.14Å; E126-Y363 PolarHBondContact OE1-OH 3.12Å; T359-Y363 PolarHBondContact O-N 2.6Å; K360-Y363 WeakPolarHBondContact O-CB 3.43Å; K360-Y363 PolarHBondContact O-N 3.12Å; Q361-Y363 VanDerWaalsContact C-N 3.25Å; Q361-Y363 PolarHBondContact O-N 3.01Å; Y363-E365 PolarHBondContact O-N 2.69Å; Y363-S366 PolarHBondContact O-N 3.15Å; Y363-G367 WeakPolarHBondContact O-CA 3.17Å; Y363-G367 PolarHBondContact O-N 3.18Å; Y363-P368 HydrophobicContact CE2-CB 4.26Å; Y363-P368 HydrophobicContact CE2-CG 3.81Å
364D98Very high96.2Very high114 Ų11464.7 Ų64.761%0.6133%0.326SS*.Hα-helixtrans-61-31.3179.8-68-23.4000111.7K360 Q361K360-D364 PolarHBondContact O-N 3.24Å; Q361-D364 PolarHBondContact O-N 2.89Å
365E97.7Very high96.5Very high135 Ų13560.1 Ų60.163%0.63130%0.302SS*.Hα-helixtrans-80-38.3177.8-70.8175.6-166.500114Q361 Y363Q361-E365 PolarHBondContact NE2-OE1 3.31Å; Q361-E365 WeakPolarHBondContact O-CG 3.32Å; Q361-E365 PolarHBondContact O-N 2.87Å; Q361-E365 VanDerWaalsContact O-N 3.08Å; Y363-E365 PolarHBondContact O-N 2.69Å
366S97.3Very high96.1Very high53 Ų5359.9 Ų59.937%0.37130%0.299SS..Hα-helixtrans-113.1-10.6-169.9-66.70000114.9E362 Y363E362-S366 WeakPolarHBondContact O-CB 3.46Å; E362-S366 PolarHBondContact O-N 3.13Å; Y363-S366 PolarHBondContact O-N 3.15Å
367G97.7Very high96.2Very high22 Ų2259.4 Ų59.423%0.22730%0.296CS..  trans64.7-170-171.200000114Y363 A369 I370Y363-G367 WeakPolarHBondContact O-CA 3.17Å; Y363-G367 PolarHBondContact O-N 3.18Å; G367-A369 PolarHBondContact O-N 2.74Å; G367-I370 VanDerWaalsContact O-CG2 3.25Å; G367-I370 WeakPolarHBondContact O-CG2 3.05Å; G367-I370 PolarHBondContact O-N 3.24Å
368P97.4Very high96.2Very high37 Ų3761.7 Ų61.724%0.2431%0.309CS..G310 helixtrans-56.7-26.8-175.7-26.933000115.7E118 Q122 Y363 I370 V371E118-P368 HydrophobicContact CB-CB 3.77Å; E118-P368 HydrophobicContact CG-CB 4.09Å; Q122-P368 HydrophobicContact CB-CG 4.19Å; Y363-P368 HydrophobicContact CE2-CB 4.26Å; Y363-P368 HydrophobicContact CE2-CG 3.81Å; P368-I370 PolarHBondContact O-N 2.94Å; P368-I370 VanDerWaalsContact O-N 3.14Å; P368-V371 VanDerWaalsContact O-CG1 3.3Å; P368-V371 WeakPolarHBondContact O-CG1 3.24Å; P368-V371 PolarHBondContact O-N 3.43Å
369A97.4Very high96.1Very high46 Ų4665.1 Ų65.138%0.3833%0.326SS..G310 helixtrans-67.5-11.6-177.300000113.9G367 V371 H372G367-A369 PolarHBondContact O-N 2.74Å; A369-V371 PolarHBondContact O-N 3.08Å; A369-H372 PolarHBondContact O-CD2 3.38Å; A369-H372 PolarHBondContact O-N 3.23Å; A369-H372 VanDerWaalsContact O-N 3.15Å
370I97.6Very high96Very high12 Ų1265.8 Ų65.86%0.06233%0.325CS..G310 helixtrans-55.9-30.2174.6-169.757.2000112.5T121 I358 G367 P368 H372 R373 K374T121-I370 HydrophobicContact CG2-CG2 4.46Å; I358-I370 HydrophobicContact CD1-CG2 4.36Å; I358-I370 HydrophobicContact CG2-CG1 4.19Å; I358-I370 HydrophobicContact CG2-CG2 3.59Å; G367-I370 VanDerWaalsContact O-CG2 3.25Å; G367-I370 WeakPolarHBondContact O-CG2 3.05Å; G367-I370 PolarHBondContact O-N 3.24Å; P368-I370 PolarHBondContact O-N 2.94Å; P368-I370 VanDerWaalsContact O-N 3.14Å; I370-H372 PolarHBondContact O-N 3.24Å; I370-H372 VanDerWaalsContact O-N 3.13Å; I370-R373 HydrophobicContact CD1-CB 4.42Å; I370-R373 PolarHBondContact O-N 3.47Å; I370-K374 HydrophobicContact CD1-CG 4.41Å; I370-K374 HydrophobicContact CG1-CG 4.4Å; I370-K374 PolarHBondContact O-N 3.04Å
371V97.5Very high95.9Very high0 Ų065.5 Ų65.50%033%0.327CS..Hα-helixtrans-57.4-29.7178.773.20000113.1R117 E118 T121 V135 I358 P368 A369 R373 C375R117-V371 HydrophobicContact CB-CG1 3.79Å; R117-V371 HydrophobicContact CB-CG2 4.34Å; R117-V371 PolarHBondContact NH2-O 3.33Å; E118-V371 HydrophobicContact CG-CG1 4.47Å; T121-V371 WeakPolarHBondContact OG1-CB 3.47Å; V135-V371 HydrophobicContact CB-CG2 4.28Å; V135-V371 HydrophobicContact CG2-CG2 3.99Å; I358-V371 HydrophobicContact CD1-CB 4.15Å; I358-V371 HydrophobicContact CD1-CG2 4.18Å; P368-V371 VanDerWaalsContact O-CG1 3.3Å; P368-V371 WeakPolarHBondContact O-CG1 3.24Å; P368-V371 PolarHBondContact O-N 3.43Å; A369-V371 PolarHBondContact O-N 3.08Å; V371-R373 VanDerWaalsContact C-N 3.29Å; V371-R373 PolarHBondContact O-N 3.01Å; V371-C375 HydrophobicContact CG2-CB 4.23Å; V371-C375 WeakPolarHBondContact O-CB 3.37Å; V371-C375 PolarHBondContact O-N 3.06Å; V371-C375 VanDerWaalsContact O-N 3.12Å
372H96Very high95.8Very high44 Ų4461.1 Ų61.120%0.20431%0.308CS..Hα-helixtrans-78-14.1179-54.6-52.2000113.4K114 E118 A369 I370K114-H372 VanDerWaalsContact CB-CE1 3.46Å; K114-H372 WeakPolarHBondContact CB-CE1 3.4Å; K114-H372 PolarHBondContact O-CE1 2.72Å; E118-H372 WeakPolarHBondContact CG-NE2 3.33Å; E118-H372 IonicContact OE1-CD2 3.95Å; E118-H372 IonicContact OE1-CE1 3.36Å; E118-H372 IonicContact OE1-NE2 3.11Å; E118-H372 PolarHBondContact OE1-NE2 3.3Å; A369-H372 PolarHBondContact O-CD2 3.38Å; A369-H372 PolarHBondContact O-N 3.23Å; A369-H372 VanDerWaalsContact O-N 3.15Å; I370-H372 PolarHBondContact O-N 3.24Å; I370-H372 VanDerWaalsContact O-N 3.13Å
373R93.9Very high95.6Very high179 Ų17962.1 Ų62.168%0.67531%0.314SS*.Hα-helixtrans-98.7-26.9179.2-62.3-177.7-178.3167.61.7112.9I370 V371 F376I370-R373 HydrophobicContact CD1-CB 4.42Å; I370-R373 PolarHBondContact O-N 3.47Å; V371-R373 VanDerWaalsContact C-N 3.29Å; V371-R373 PolarHBondContact O-N 3.01Å; R373-F376 VanDerWaalsContact O-CE2 3.24Å; R373-F376 WeakPolarHBondContact O-CE2 3.21Å; R373-F376 WeakPolarHBondContact O-CZ 3.25Å
374K93.7Very high95.4Very high49 Ų4966 Ų6621%0.21334%0.335CS..Hα-helixtrans-104.8-33.8-173.8-78.9-82.7-169.9132.30113.5I358 E362 I370I358-K374 HydrophobicContact CD1-CB 4.14Å; I358-K374 HydrophobicContact CG1-CB 3.68Å; I358-K374 HydrophobicContact CG1-CG 4.06Å; E362-K374 WeakPolarHBondContact OE1-CE 3.41Å; E362-K374 IonicContact OE1-NZ 3.55Å; E362-K374 PolarHBondContact OE1-NZ 3.38Å; E362-K374 IonicContact OE2-NZ 3.83Å; I370-K374 HydrophobicContact CD1-CG 4.41Å; I370-K374 HydrophobicContact CG1-CG 4.4Å; I370-K374 PolarHBondContact O-N 3.04Å
375C92.9Very high95.2Very high2 Ų262 Ų621%0.01431%0.312CS..  trans-104119.6-179.4-550000109.2R117 Y134 V135 V371R117-C375 PolarHBondContact NH2-O 3.21Å; Y134-C375 WeakPolarHBondContact CD2-SG 3.33Å; Y134-C375 HydrophobicContact CE2-CB 4.19Å; Y134-C375 WeakPolarHBondContact CE2-SG 3.45Å; V135-C375 HydrophobicContact CB-CB 4.46Å; V135-C375 PolarHBondContact N-SG 3.17Å; V135-C375 VanDerWaalsContact N-SG 3.4Å; V135-C375 VanDerWaalsContact O-CB 3.31Å; V135-C375 WeakPolarHBondContact O-CB 3.36Å; V371-C375 HydrophobicContact CG2-CB 4.23Å; V371-C375 WeakPolarHBondContact O-CB 3.37Å; V371-C375 PolarHBondContact O-N 3.06Å; V371-C375 VanDerWaalsContact O-N 3.12Å
376F83.1Confident94.9Very high165 Ų16555.4 Ų55.472%0.72428%0.283SS*.  trans-111.20-178.2-64.9-78.4000112.3R373R373-F376 VanDerWaalsContact O-CE2 3.24Å; R373-F376 WeakPolarHBondContact O-CE2 3.21Å; R373-F376 WeakPolarHBondContact O-CZ 3.25Å

Retrieved 376 of 376 residues in 132.2 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).