A0A077ZL12_TRITR Loading...

Elongation factor Tu, mitochondrial

AlphaFold DB , UniProt , Accession A0A077ZL12, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 245 aa.

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

 

Download Structure   PDB   PAE   Table  
Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34.5Very low68.9Low240 Ų240140.4 Ų140.4100%1.18270%0.695SS**  0127.20-70.2171.317900107K3M1-K3 PolarHBondContact O-N 2.85Å
2A41.6Very low70.9Confident100 Ų100134.2 Ų134.283%0.82666%0.662SS**PPolyproline II helixtrans-60.4122.4168.400000106.3E4A2-E4 PolarHBondContact O-N 3.34Å
3K54.2Low72.8Confident203 Ų203123.8 Ų123.888%0.88361%0.611SS**PPolyproline II helixtrans-54.2133.1171-80.4-171171.5-166.70106.9M1 K5M1-K3 PolarHBondContact O-N 2.85Å; K3-K5 PolarHBondContact O-N 2.77Å
4E61.7Low74.4Confident187 Ų187116.1 Ų116.187%0.87457%0.574SS**PPolyproline II helixtrans-53.7140.4176.9-71.4-176.9153.300109.3A2 F6A2-E4 PolarHBondContact O-N 3.34Å; E4-F6 PolarHBondContact O-N 3.25Å
5K68.1Low75.8Confident201 Ų201108.4 Ų108.487%0.87454%0.536SS*.PPolyproline II helixtrans-67.1123177.1-173.6-178.5179.5-173.70106.6K3 D7K3-K5 PolarHBondContact O-N 2.77Å; K5-D7 PolarHBondContact O-N 3.2Å; K5-D7 VanDerWaalsContact O-N 3.13Å
6F72.8Confident77.1Confident93 Ų93101.6 Ų101.641%0.40850%0.502SS..PPolyproline II helixtrans-49.9119.9179.1-171.9-92.3000110.5E4 R8 H76E4-F6 PolarHBondContact O-N 3.25Å; F6-R8 HydrophobicContact CD1-CG 3.75Å; F6-R8 HydrophobicContact CE1-CG 4.1Å; F6-H76 AromaticContact CE2-CE1 3.8Å; F6-H76 AromaticContact CE2-NE2 3.53Å; F6-H76 AromaticContact CZ-CD2 3.99Å; F6-H76 AromaticContact CZ-CE1 3.67Å; F6-H76 AromaticContact CZ-NE2 3.62Å
7D76.5Confident78.3Confident112 Ų11295.6 Ų95.660%0.59947%0.473SS*.PPolyproline II helixtrans-77.7127.7176.9-172.810.9000109.4K5 S9K5-D7 PolarHBondContact O-N 3.2Å; K5-D7 VanDerWaalsContact O-N 3.13Å; D7-S9 VanDerWaalsContact OD1-CB 3.31Å; D7-S9 WeakPolarHBondContact OD1-CB 3.39Å; D7-S9 PolarHBondContact OD1-N 2.53Å; D7-S9 PolarHBondContact OD1-OG 3.26Å; D7-S9 WeakPolarHBondContact OD2-CB 3.49Å; D7-S9 PolarHBondContact OD2-OG 2.95Å
8R79.6Confident79.4Confident215 Ų21590.3 Ų90.381%0.81145%0.446SS*.  trans-108.624.5-179.3-62.6-175.7179-171.7-2.6111.5F6 K10F6-R8 HydrophobicContact CD1-CG 3.75Å; F6-R8 HydrophobicContact CE1-CG 4.1Å; R8-K10 VanDerWaalsContact C-N 3.34Å
9S85.5Confident80.3Confident82 Ų8285.6 Ų85.657%0.57342%0.423SS*.SBendtrans-68.8-30.7-177580000113D7D7-S9 VanDerWaalsContact OD1-CB 3.31Å; D7-S9 WeakPolarHBondContact OD1-CB 3.39Å; D7-S9 PolarHBondContact OD1-N 2.53Å; D7-S9 PolarHBondContact OD1-OG 3.26Å; D7-S9 WeakPolarHBondContact OD2-CB 3.49Å; D7-S9 PolarHBondContact OD2-OG 2.95Å
10K90.6Very high81.1Confident51 Ų5182.5 Ų82.522%0.22241%0.407CS..SBendtrans-103.9148.7179.6-66.8176.8-179.8172.10112.2R8 E71 T72 H76R8-K10 VanDerWaalsContact C-N 3.34Å; K10-E71 IonicContact NZ-OE1 3.22Å; K10-E71 PolarHBondContact NZ-OE1 3.17Å; K10-E71 IonicContact NZ-OE2 3.74Å; K10-E71 PolarHBondContact NZ-OE2 3.17Å; K10-T72 PolarHBondContact NZ-O 3.08Å; K10-H76 HydrophobicContact CB-CB 4.39Å
11P93.1Very high81.6Confident60 Ų6079.8 Ų79.839%0.3940%0.395SS..  trans-55.2141.8167.7-21.632.3000111.3N74 R75 H76 T202P11-N74 WeakPolarHBondContact CD-O 3.43Å; P11-R75 HydrophobicContact CB-CG 4.31Å; P11-R75 WeakPolarHBondContact O-CA 3.17Å; P11-H76 PolarHBondContact O-N 3.45Å; P11-T202 HydrophobicContact CB-CG2 3.86Å
12H93.1Very high84.4Confident66 Ų6673.6 Ų73.631%0.30637%0.367SS..EExtended strand (participates in β ladder)trans-109.7128.2-176.3-17891.1000111.4N14 H76H12-N14 PolarHBondContact NE2-OD1 2.99Å; H12-H76 WeakPolarHBondContact CA-O 3.32Å; H12-H76 AromaticContact CE1-CE1 3.83Å; H12-H76 AromaticContact CE1-ND1 3.44Å; H12-H76 PolarHBondContact CE1-ND1 2.79Å; H12-H76 AromaticContact ND1-CE1 3.72Å; H12-H76 AromaticContact ND1-CG 3.88Å; H12-H76 AromaticContact ND1-ND1 2.98Å; H12-H76 PolarHBondContact ND1-ND1 2.76Å
13V95.2Very high87.1Confident0 Ų068.9 Ų68.90%033%0.328CS..EExtended strand (participates in β ladder)trans-129.1133.6179.1-174.30000109I15 H76 Y77 A78 D100 I200V13-I15 HydrophobicContact CG1-CG2 4.01Å; V13-H76 PolarHBondContact N-O 3.27Å; V13-Y77 HydrophobicContact CB-CD1 3.97Å; V13-Y77 HydrophobicContact CB-CE1 3.76Å; V13-Y77 HydrophobicContact CG1-CD1 4.48Å; V13-Y77 HydrophobicContact CG1-CE1 4.12Å; V13-Y77 HydrophobicContact CG2-CE1 4.4Å; V13-Y77 WeakPolarHBondContact O-CA 3.11Å; V13-A78 PolarHBondContact O-N 3.13Å; V13-D100 HydrophobicContact CG1-CB 3.92Å; V13-I200 HydrophobicContact CG1-CG2 4.02Å
14N94.9Very high89Confident16 Ų1659.9 Ų59.99%0.08629%0.292CS..EExtended strand (participates in β ladder)trans-91125.4172.4-55.7-80.6000108.5H12 A78 Q98 D100 G101 R205 R231H12-N14 PolarHBondContact NE2-OD1 2.99Å; N14-A78 CarbonylContact C-O 3.51Å; N14-A78 WeakPolarHBondContact CA-O 3.09Å; N14-Q98 WeakPolarHBondContact CB-O 3.42Å; N14-D100 WeakPolarHBondContact CB-OD2 3.33Å; N14-D100 PolarHBondContact N-OD2 3.43Å; N14-D100 PolarHBondContact ND2-OD2 2.83Å; N14-D100 WeakPolarHBondContact O-CB 3.49Å; N14-D100 PolarHBondContact O-N 2.89Å; N14-G101 PolarHBondContact O-N 3Å; N14-R205 PolarHBondContact ND2-NH2 3.32Å; N14-R205 VanDerWaalsContact ND2-NH2 3.15Å; N14-R231 WeakPolarHBondContact ND2-CD 3.18Å
15I96.3Very high90.6Very high0 Ų051.4 Ų51.40%025%0.253CS..EExtended strand (participates in β ladder)trans-126.1175.4174.759.2177.6000110.2V13 Y70 Y77 A78 H79 V80 G101 I103 M193 V196 I200V13-I15 HydrophobicContact CG1-CG2 4.01Å; I15-Y70 HydrophobicContact CD1-CE2 4.07Å; I15-Y70 WeakPolarHBondContact CD1-OH 3.37Å; I15-Y77 HydrophobicContact CD1-CD1 3.43Å; I15-Y77 VanDerWaalsContact CD1-CD1 3.43Å; I15-Y77 HydrophobicContact CD1-CE1 4.01Å; I15-Y77 HydrophobicContact CD1-CG 3.85Å; I15-Y77 HydrophobicContact CG1-CD1 3.8Å; I15-Y77 HydrophobicContact CG1-CG 4.39Å; I15-Y77 HydrophobicContact CG2-CD1 3.95Å; I15-Y77 HydrophobicContact CG2-CE1 4.06Å; I15-A78 PolarHBondContact N-O 3.41Å; I15-H79 HydrophobicContact CG1-CB 4.23Å; I15-H79 CarbonylContact O-C 3.53Å; I15-H79 VanDerWaalsContact O-CA 3.24Å; I15-H79 WeakPolarHBondContact O-CA 3.38Å; I15-V80 PolarHBondContact O-N 3.25Å; I15-G101 WeakPolarHBondContact CA-O 3.46Å; I15-I103 HydrophobicContact CD1-CD1 4.42Å; I15-M193 HydrophobicContact CD1-CE 4.41Å; I15-V196 HydrophobicContact CD1-CG1 4.14Å; I15-V196 HydrophobicContact CG2-CG1 4.39Å; I15-I200 HydrophobicContact CG2-CD1 4.21Å
16G96.1Very high91.9Very high0 Ų042 Ų420%021%0.212CC..EExtended strand (participates in β ladder)trans-174.6161.1172.100000113.5V80 A102 I103G16-V80 CarbonylContact C-O 3.5Å; G16-V80 WeakPolarHBondContact CA-O 3.42Å; G16-A102 CarbonylContact O-C 3.53Å; G16-A102 WeakPolarHBondContact O-CA 3.39Å; G16-I103 PolarHBondContact O-N 3.46Å
17T97.5Very high93Very high0 Ų038.9 Ų38.90%020%0.201CC..EExtended strand (participates in β ladder)trans-90.6128.8-179.136.90000111.1L28 T29 H79 V80 D81 C82 I103 V105T17-L28 HydrophobicContact CG2-CD2 4.2Å; T17-T29 PolarHBondContact OG1-OG1 3.34Å; T17-H79 VanDerWaalsContact CG2-CE1 3.49Å; T17-H79 WeakPolarHBondContact CG2-CE1 3.3Å; T17-H79 WeakPolarHBondContact CG2-NE2 3.34Å; T17-H79 PolarHBondContact N-NE2 3.49Å; T17-H79 PolarHBondContact OG1-NE2 3.45Å; T17-H79 VanDerWaalsContact OG1-NE2 3.09Å; T17-V80 PolarHBondContact N-O 3.23Å; T17-V80 VanDerWaalsContact N-O 3.07Å; T17-D81 WeakPolarHBondContact OG1-CA 3.23Å; T17-D81 PolarHBondContact OG1-OD1 2.79Å; T17-C82 WeakPolarHBondContact O-CB 3.49Å; T17-C82 PolarHBondContact O-N 3.15Å; T17-I103 WeakPolarHBondContact CA-O 3.36Å; T17-I103 HydrophobicContact CG2-CB 4.26Å; T17-I103 HydrophobicContact CG2-CG2 4.48Å; T17-V105 HydrophobicContact CG2-CG2 3.94Å
18I97.1Very high93.9Very high0 Ų033.6 Ų33.60%017%0.172CC..EExtended strand (participates in β ladder)trans-127.9162.5174.563.6173.2000109.7M99 A102 I103 L104 V105 H119 S123 I131I18-M99 HydrophobicContact CG2-CE 4.02Å; I18-M99 HydrophobicContact CG2-SD 4.18Å; I18-A102 HydrophobicContact CD1-CB 3.71Å; I18-A102 HydrophobicContact CG1-CB 4.03Å; I18-A102 HydrophobicContact CG2-CB 4.44Å; I18-I103 PolarHBondContact N-O 2.89Å; I18-L104 HydrophobicContact CD1-CD1 4.21Å; I18-L104 HydrophobicContact CG1-CB 4.29Å; I18-L104 HydrophobicContact CG1-CD1 3.92Å; I18-V105 PolarHBondContact O-N 2.98Å; I18-H119 HydrophobicContact CB-CB 4.27Å; I18-H119 HydrophobicContact CD1-CB 4.43Å; I18-S123 VanDerWaalsContact CD1-OG 3.3Å; I18-S123 WeakPolarHBondContact CD1-OG 3.45Å; I18-I131 HydrophobicContact CD1-CD1 4.35Å
19G96.6Very high94.7Very high0 Ų023.3 Ų23.30%013%0.134CC..  trans133.9173.6-179.700000112.6K25 G84 H119G19-K25 WeakPolarHBondContact O-CE 3.4Å; G19-K25 PolarHBondContact O-NZ 3.1Å; G19-G84 VanDerWaalsContact O-CA 3.3Å; G19-G84 WeakPolarHBondContact O-CA 3.49Å; G19-H119 PolarHBondContact N-ND1 3.13Å; G19-H119 PolarHBondContact O-CE1 3.28Å; G19-H119 VanDerWaalsContact O-CE1 3.3Å
20H96.2Very high95.2Very high23 Ų2319.4 Ų19.411%0.10611%0.106CC..SBendtrans-60.2158.8-174.7-170.471.9000113.8H23 K25 M113 Q115H20-H23 AromaticContact CD2-CD2 3.73Å; H20-H23 AromaticContact CD2-NE2 3.43Å; H20-H23 PolarHBondContact CD2-NE2 3.19Å; H20-H23 AromaticContact CG-NE2 3.84Å; H20-H23 PolarHBondContact O-N 2.95Å; H20-K25 PolarHBondContact O-NZ 3.41Å; H20-M113 HydrophobicContact CB-CB 3.87Å; H20-M113 WeakPolarHBondContact ND1-CB 3.48Å; H20-Q115 HydrophobicContact CB-CB 4.25Å; H20-Q115 PolarHBondContact CE1-OE1 3.33Å; H20-Q115 PolarHBondContact ND1-OE1 2.87Å
21V93.1Very high95.4Very high27 Ų2717 Ų1716%0.16410%0.096CC..THydrogen-bonded Turntrans-55.6144.9172.464.90000110.1H23 I61 G84 H85V21-H23 PolarHBondContact O-CD2 3.05Å; V21-H23 PolarHBondContact O-N 3.1Å; V21-I61 HydrophobicContact CG2-CG2 3.97Å; V21-G84 PolarHBondContact N-O 3.44Å; V21-H85 HydrophobicContact CG2-CB 4.46Å
22D93.3Very high95.6Very high109 Ų10914.1 Ų14.158%0.5838%0.077SC*.THydrogen-bonded Turntrans59.37.9179.3-57.1-24.1000117.1G24 K137D22-G24 PolarHBondContact O-N 3.46Å; D22-K137 WeakPolarHBondContact O-CE 3.49Å; D22-K137 PolarHBondContact O-NZ 3.42Å
23H96.7Very high95.6Very high2 Ų211 Ų111%0.0096%0.063CC..SBendtrans-74.3-6.5171.3-75-158.9000113.2H20 V21 V105 V106 S107 G111 N136H20-H23 AromaticContact CD2-CD2 3.73Å; H20-H23 AromaticContact CD2-NE2 3.43Å; H20-H23 PolarHBondContact CD2-NE2 3.19Å; H20-H23 AromaticContact CG-NE2 3.84Å; H20-H23 PolarHBondContact O-N 2.95Å; V21-H23 PolarHBondContact O-CD2 3.05Å; V21-H23 PolarHBondContact O-N 3.1Å; H23-V105 HydrophobicContact CB-CG1 4.34Å; H23-V105 PolarHBondContact ND1-O 3.02Å; H23-V105 VanDerWaalsContact O-CG1 3.26Å; H23-V105 WeakPolarHBondContact O-CG1 3.37Å; H23-V106 WeakPolarHBondContact ND1-CA 3.49Å; H23-S107 PolarHBondContact ND1-N 3.25Å; H23-G111 PolarHBondContact CE1-O 2.89Å; H23-G111 VanDerWaalsContact CE1-O 3.29Å; H23-N136 PolarHBondContact O-ND2 3.38Å
24G95Very high95.6Very high13 Ų1312.2 Ų12.213%0.1347%0.07CC..  trans9134.7171.300000115.6D22 L28D22-G24 PolarHBondContact O-N 3.46Å; G24-L28 WeakPolarHBondContact O-CB 3.41Å; G24-L28 PolarHBondContact O-N 3.36Å
25K96.1Very high95.5Very high10 Ų1011.6 Ų11.64%0.0437%0.067CC..Hα-helixtrans-56.2-58.3175.2-67.1-178.2-63.5-66.10112.5G19 H20 T27 L28 T29 D81 C82 V105G19-K25 WeakPolarHBondContact O-CE 3.4Å; G19-K25 PolarHBondContact O-NZ 3.1Å; H20-K25 PolarHBondContact O-NZ 3.41Å; K25-T27 VanDerWaalsContact C-N 3.32Å; K25-T27 PolarHBondContact O-N 3.46Å; K25-L28 WeakPolarHBondContact O-CA 3.12Å; K25-L28 VanDerWaalsContact O-CB 3.31Å; K25-L28 WeakPolarHBondContact O-CB 3.42Å; K25-L28 PolarHBondContact O-N 2.6Å; K25-T29 PolarHBondContact O-N 2.97Å; K25-T29 PolarHBondContact O-OG1 3.43Å; K25-T29 VanDerWaalsContact O-OG1 3.13Å; K25-D81 WeakPolarHBondContact CB-OD1 2.86Å; K25-C82 WeakPolarHBondContact CD-O 3.46Å; K25-C82 WeakPolarHBondContact CE-O 3.26Å; K25-V105 HydrophobicContact CG-CB 3.94Å; K25-V105 HydrophobicContact CG-CG2 3.94Å
26T94.2Very high95.4Very high4 Ų411.7 Ų11.73%0.0257%0.067CC..Hα-helixtrans-61.6-38.6179.8-46.50000112.4L28 T29 A30 Y47 I50 D51 T62 D81T26-L28 VanDerWaalsContact C-N 3.34Å; T26-L28 PolarHBondContact O-N 3.4Å; T26-T29 PolarHBondContact O-N 2.86Å; T26-A30 WeakPolarHBondContact O-CB 3.44Å; T26-A30 PolarHBondContact O-N 3.13Å; T26-Y47 HydrophobicContact CG2-CD2 3.77Å; T26-Y47 HydrophobicContact CG2-CE1 4.42Å; T26-Y47 HydrophobicContact CG2-CE2 3.61Å; T26-Y47 HydrophobicContact CG2-CG 4.27Å; T26-I50 HydrophobicContact CG2-CB 3.82Å; T26-I50 HydrophobicContact CG2-CD1 4.4Å; T26-I50 HydrophobicContact CG2-CG2 3.75Å; T26-D51 HydrophobicContact CG2-CB 4.49Å; T26-T62 PolarHBondContact OG1-OG1 3.16Å; T26-D81 WeakPolarHBondContact CA-OD2 3.33Å; T26-D81 WeakPolarHBondContact CB-OD2 3.36Å; T26-D81 PolarHBondContact N-OD1 3.24Å; T26-D81 PolarHBondContact OG1-OD2 2.91Å
27T95.5Very high95.2Very high27 Ų2713.1 Ų13.117%0.1668%0.079CC..Hα-helixtrans-62.1-41.8173-48.70000111.5K25 A30 A31 A175 L176 L179K25-T27 VanDerWaalsContact C-N 3.32Å; K25-T27 PolarHBondContact O-N 3.46Å; T27-A30 PolarHBondContact O-N 3.35Å; T27-A31 WeakPolarHBondContact O-CB 3.41Å; T27-A31 PolarHBondContact O-N 3.24Å; T27-A175 HydrophobicContact CG2-CB 3.98Å; T27-L176 HydrophobicContact CG2-CB 4.35Å; T27-L179 HydrophobicContact CG2-CD2 4.44Å
28L97.2Very high94.9Very high0 Ų019.2 Ų19.20%011%0.106CC..Hα-helixtrans-63.9-44.1175.7178.661.7000111.3T17 G24 K25 T26 A30 A31 I32 I103 V105 F134 A175 I189 L192T17-L28 HydrophobicContact CG2-CD2 4.2Å; G24-L28 WeakPolarHBondContact O-CB 3.41Å; G24-L28 PolarHBondContact O-N 3.36Å; K25-L28 WeakPolarHBondContact O-CA 3.12Å; K25-L28 VanDerWaalsContact O-CB 3.31Å; K25-L28 WeakPolarHBondContact O-CB 3.42Å; K25-L28 PolarHBondContact O-N 2.6Å; T26-L28 VanDerWaalsContact C-N 3.34Å; T26-L28 PolarHBondContact O-N 3.4Å; L28-A30 VanDerWaalsContact C-N 3.34Å; L28-A30 PolarHBondContact O-N 2.99Å; L28-A31 WeakPolarHBondContact O-CB 3.28Å; L28-A31 PolarHBondContact O-N 3.49Å; L28-A31 VanDerWaalsContact O-N 3.13Å; L28-I32 HydrophobicContact CD1-CD1 4.23Å; L28-I32 HydrophobicContact CD1-CG1 4.27Å; L28-I32 HydrophobicContact CG-CD1 3.94Å; L28-I32 HydrophobicContact CG-CG1 4.45Å; L28-I32 VanDerWaalsContact O-CG1 3.32Å; L28-I32 WeakPolarHBondContact O-CG1 3.49Å; L28-I32 PolarHBondContact O-N 2.98Å; L28-I103 HydrophobicContact CD2-CG2 3.92Å; L28-V105 HydrophobicContact CD2-CG2 3.57Å; L28-F134 HydrophobicContact CD1-CD1 3.84Å; L28-F134 HydrophobicContact CD1-CE1 3.68Å; L28-F134 HydrophobicContact CD1-CE2 4.4Å; L28-F134 HydrophobicContact CD1-CG 4.27Å; L28-F134 HydrophobicContact CD1-CZ 3.97Å; L28-F134 HydrophobicContact CD2-CB 3.98Å; L28-F134 HydrophobicContact CD2-CD1 3.65Å; L28-F134 HydrophobicContact CD2-CE1 4.33Å; L28-F134 HydrophobicContact CD2-CG 3.89Å; L28-F134 HydrophobicContact CG-CD1 4.3Å; L28-A175 HydrophobicContact CB-CB 3.96Å; L28-A175 HydrophobicContact CD1-CB 4.13Å; L28-I189 HydrophobicContact CD1-CD1 3.51Å; L28-L192 HydrophobicContact CD1-CD2 3.96Å; L28-L192 HydrophobicContact CD2-CD2 4.13Å; L28-L192 HydrophobicContact CG-CD2 4.44Å
29T96.1Very high94.4Very high0 Ų024.7 Ų24.70%013%0.131CC..Hα-helixtrans-61.1-42.6177.1-53.40000111.6T17 K25 T26 I32 T33 I50 V68 H79 D81T17-T29 PolarHBondContact OG1-OG1 3.34Å; K25-T29 PolarHBondContact O-N 2.97Å; K25-T29 PolarHBondContact O-OG1 3.43Å; K25-T29 VanDerWaalsContact O-OG1 3.13Å; T26-T29 PolarHBondContact O-N 2.86Å; T29-I32 PolarHBondContact O-N 3.22Å; T29-T33 WeakPolarHBondContact O-CG2 3.4Å; T29-T33 PolarHBondContact O-N 3.11Å; T29-T33 VanDerWaalsContact O-N 3.14Å; T29-T33 PolarHBondContact O-OG1 2.97Å; T29-I50 HydrophobicContact CG2-CD1 3.77Å; T29-V68 HydrophobicContact CG2-CG1 4.33Å; T29-V68 HydrophobicContact CG2-CG2 3.44Å; T29-V68 VanDerWaalsContact CG2-CG2 3.44Å; T29-H79 PolarHBondContact OG1-CE1 2.95Å; T29-H79 PolarHBondContact OG1-NE2 2.82Å; T29-D81 HydrophobicContact CG2-CB 4.49Å
30A95Very high93.8Very high0 Ų027.8 Ų27.80%016%0.163CC..Hα-helixtrans-62.4-41.8172.400000112.2T26 T27 L28 T33 T34 M45 I50 L179T26-A30 WeakPolarHBondContact O-CB 3.44Å; T26-A30 PolarHBondContact O-N 3.13Å; T27-A30 PolarHBondContact O-N 3.35Å; L28-A30 VanDerWaalsContact C-N 3.34Å; L28-A30 PolarHBondContact O-N 2.99Å; A30-T33 PolarHBondContact O-OG1 2.87Å; A30-T34 WeakPolarHBondContact O-CB 3.37Å; A30-T34 PolarHBondContact O-N 3Å; A30-T34 PolarHBondContact O-OG1 3.4Å; A30-M45 WeakPolarHBondContact CA-O 3.39Å; A30-M45 WeakPolarHBondContact CB-O 3.27Å; A30-I50 HydrophobicContact CB-CD1 4Å; A30-L179 HydrophobicContact CB-CD1 4.21Å; A30-L179 HydrophobicContact CB-CD2 4.13Å
31A96Very high93Very high0 Ų027.2 Ų27.20%016%0.164CC..Hα-helixtrans-63.6-43.7176.900000112T27 L28 T34 V35 A175 A178 L179 I189T27-A31 WeakPolarHBondContact O-CB 3.41Å; T27-A31 PolarHBondContact O-N 3.24Å; L28-A31 WeakPolarHBondContact O-CB 3.28Å; L28-A31 PolarHBondContact O-N 3.49Å; L28-A31 VanDerWaalsContact O-N 3.13Å; A31-T34 PolarHBondContact O-N 3.43Å; A31-V35 WeakPolarHBondContact O-CB 3.4Å; A31-V35 VanDerWaalsContact O-CG2 3.27Å; A31-V35 WeakPolarHBondContact O-CG2 3.42Å; A31-V35 PolarHBondContact O-N 2.91Å; A31-A175 HydrophobicContact CB-CB 4.43Å; A31-A178 HydrophobicContact CB-CB 4.23Å; A31-L179 HydrophobicContact CB-CB 4.33Å; A31-I189 HydrophobicContact CB-CD1 4.21Å; A31-I189 HydrophobicContact CB-CG1 4.32Å
32I96.1Very high92.3Very high0 Ų027 Ų270%017%0.165CC..Hα-helixtrans-58.7-51.7177.1-68.5163000110.7L28 T29 T34 V35 L36 Y70 I103 I189 L192 M193L28-I32 HydrophobicContact CD1-CD1 4.23Å; L28-I32 HydrophobicContact CD1-CG1 4.27Å; L28-I32 HydrophobicContact CG-CD1 3.94Å; L28-I32 HydrophobicContact CG-CG1 4.45Å; L28-I32 VanDerWaalsContact O-CG1 3.32Å; L28-I32 WeakPolarHBondContact O-CG1 3.49Å; L28-I32 PolarHBondContact O-N 2.98Å; T29-I32 PolarHBondContact O-N 3.22Å; I32-T34 VanDerWaalsContact C-N 3.31Å; I32-T34 PolarHBondContact O-N 3.38Å; I32-V35 PolarHBondContact O-N 3.08Å; I32-L36 HydrophobicContact CG2-CD1 3.71Å; I32-L36 HydrophobicContact CG2-CG 4.39Å; I32-L36 WeakPolarHBondContact O-CB 3.37Å; I32-L36 WeakPolarHBondContact O-CG 3.39Å; I32-L36 PolarHBondContact O-N 3.12Å; I32-Y70 HydrophobicContact CG2-CD1 4.05Å; I32-Y70 HydrophobicContact CG2-CD2 4.06Å; I32-Y70 HydrophobicContact CG2-CE1 3.7Å; I32-Y70 HydrophobicContact CG2-CE2 3.75Å; I32-Y70 HydrophobicContact CG2-CG 4.19Å; I32-I103 HydrophobicContact CD1-CD1 4.29Å; I32-I189 HydrophobicContact CB-CG2 4.35Å; I32-I189 HydrophobicContact CG1-CG2 3.86Å; I32-L192 HydrophobicContact CD1-CD2 4.27Å; I32-M193 HydrophobicContact CD1-SD 4.32Å; I32-M193 HydrophobicContact CG1-SD 4.39Å; I32-M193 HydrophobicContact CG2-CG 4.24Å; I32-M193 HydrophobicContact CG2-SD 3.84Å
33T94.4Very high91.7Very high0 Ų029.9 Ų29.90%018%0.175CC..Hα-helixtrans-62.2-40179.660.40000111.7T29 A30 A37 A42 M45 V68 Y70T29-T33 WeakPolarHBondContact O-CG2 3.4Å; T29-T33 PolarHBondContact O-N 3.11Å; T29-T33 VanDerWaalsContact O-N 3.14Å; T29-T33 PolarHBondContact O-OG1 2.97Å; A30-T33 PolarHBondContact O-OG1 2.87Å; T33-A37 WeakPolarHBondContact O-CB 3.15Å; T33-A37 PolarHBondContact O-N 2.92Å; T33-A42 WeakPolarHBondContact O-CB 3.36Å; T33-M45 HydrophobicContact CG2-CB 4.42Å; T33-M45 HydrophobicContact CG2-CG 4.48Å; T33-M45 PolarHBondContact OG1-N 3.22Å; T33-M45 VanDerWaalsContact OG1-N 3.11Å; T33-M45 PolarHBondContact OG1-O 3.21Å; T33-V68 HydrophobicContact CG2-CB 4.41Å; T33-V68 HydrophobicContact CG2-CG2 4.13Å; T33-Y70 HydrophobicContact CG2-CD1 3.9Å
34T93.8Very high90.8Very high25 Ų2532.2 Ų32.215%0.15319%0.194CC..Hα-helixtrans-66.9-45.8179.6-600000112.1A30 A31 I32 A37 K38 L179A30-T34 WeakPolarHBondContact O-CB 3.37Å; A30-T34 PolarHBondContact O-N 3Å; A30-T34 PolarHBondContact O-OG1 3.4Å; A31-T34 PolarHBondContact O-N 3.43Å; I32-T34 VanDerWaalsContact C-N 3.31Å; I32-T34 PolarHBondContact O-N 3.38Å; T34-A37 PolarHBondContact O-N 3.41Å; T34-K38 PolarHBondContact O-N 3.31Å; T34-L179 HydrophobicContact CG2-CD1 4.3Å; T34-L179 WeakPolarHBondContact OG1-CD1 3.42Å
35V94.1Very high90.1Very high3 Ų333.7 Ų33.72%0.01820%0.198CC..Hα-helixtrans-67.7-45.2-179.4171.50000111A31 I32 A37 K38 E186 I189 L190A31-V35 WeakPolarHBondContact O-CB 3.4Å; A31-V35 VanDerWaalsContact O-CG2 3.27Å; A31-V35 WeakPolarHBondContact O-CG2 3.42Å; A31-V35 PolarHBondContact O-N 2.91Å; I32-V35 PolarHBondContact O-N 3.08Å; V35-A37 VanDerWaalsContact C-N 3.32Å; V35-A37 PolarHBondContact O-N 2.63Å; V35-K38 WeakPolarHBondContact O-CB 3.48Å; V35-K38 PolarHBondContact O-N 2.95Å; V35-E186 HydrophobicContact CG1-CB 4.48Å; V35-E186 HydrophobicContact CG2-CB 4.04Å; V35-E186 HydrophobicContact CG2-CG 3.75Å; V35-I189 HydrophobicContact CB-CB 4.36Å; V35-I189 HydrophobicContact CB-CG2 3.95Å; V35-I189 HydrophobicContact CG1-CB 4.29Å; V35-I189 HydrophobicContact CG1-CG2 4.16Å; V35-I189 HydrophobicContact CG2-CB 4.16Å; V35-I189 HydrophobicContact CG2-CG1 4.32Å; V35-I189 HydrophobicContact CG2-CG2 4.15Å; V35-L190 HydrophobicContact CG1-CD2 3.56Å; V35-L190 HydrophobicContact CG1-CG 3.8Å
36L93.4Very high89.4Confident2 Ų238 Ų381%0.0122%0.221CC..Hα-helixtrans-68.1-31.1176.9-67.8176.6000112.3I32 K38 Q39 G40 G41 A42 Y70 L190 M193I32-L36 HydrophobicContact CG2-CD1 3.71Å; I32-L36 HydrophobicContact CG2-CG 4.39Å; I32-L36 WeakPolarHBondContact O-CB 3.37Å; I32-L36 WeakPolarHBondContact O-CG 3.39Å; I32-L36 PolarHBondContact O-N 3.12Å; L36-K38 PolarHBondContact O-N 3.04Å; L36-Q39 CarbonylContact O-C 3.57Å; L36-Q39 WeakPolarHBondContact O-CA 3.44Å; L36-Q39 PolarHBondContact O-N 2.99Å; L36-G40 PolarHBondContact O-N 3.14Å; L36-G41 PolarHBondContact O-N 3.3Å; L36-A42 HydrophobicContact CB-CB 3.96Å; L36-Y70 HydrophobicContact CD1-CD2 3.44Å; L36-Y70 VanDerWaalsContact CD1-CD2 3.44Å; L36-Y70 HydrophobicContact CD1-CE2 4.12Å; L36-Y70 HydrophobicContact CD1-CG 3.89Å; L36-L190 HydrophobicContact CD2-CD2 4.27Å; L36-M193 HydrophobicContact CD1-CG 4.33Å
37A91.9Very high88.6Confident30 Ų3041.8 Ų41.825%0.24824%0.236CC..Hα-helixtrans-61.5-31.8174.300000112.3T33 T34 V35 Q39 G40 A42 A44T33-A37 WeakPolarHBondContact O-CB 3.15Å; T33-A37 PolarHBondContact O-N 2.92Å; T34-A37 PolarHBondContact O-N 3.41Å; V35-A37 VanDerWaalsContact C-N 3.32Å; V35-A37 PolarHBondContact O-N 2.63Å; A37-Q39 PolarHBondContact O-N 2.93Å; A37-G40 PolarHBondContact O-N 3.32Å; A37-A42 WeakPolarHBondContact CA-O 3.48Å; A37-A42 HydrophobicContact CB-CB 4.24Å; A37-A42 VanDerWaalsContact CB-O 3.28Å; A37-A42 WeakPolarHBondContact CB-O 3.39Å; A37-A44 HydrophobicContact CB-CB 3.87Å
38K90.5Very high87.7Confident129 Ų12942.8 Ų42.856%0.56125%0.247SC*.Hα-helixtrans-64.6-25.9173.8-62.6-177.5-175.4-170.60113T34 V35 L36 E186T34-K38 PolarHBondContact O-N 3.31Å; V35-K38 WeakPolarHBondContact O-CB 3.48Å; V35-K38 PolarHBondContact O-N 2.95Å; L36-K38 PolarHBondContact O-N 3.04Å; K38-E186 IonicContact NZ-OE1 3.73Å; K38-E186 PolarHBondContact NZ-OE1 2.75Å; K38-E186 IonicContact NZ-OE2 2.77Å; K38-E186 PolarHBondContact NZ-OE2 3.32Å
39Q87.8Confident86.8Confident115 Ų11548.1 Ų48.154%0.53727%0.272SS..THydrogen-bonded Turntrans-91.5-2.3175.2-59.5-176.7-2.500112.6L36 A37 G41 L190L36-Q39 CarbonylContact O-C 3.57Å; L36-Q39 WeakPolarHBondContact O-CA 3.44Å; L36-Q39 PolarHBondContact O-N 2.99Å; A37-Q39 PolarHBondContact O-N 2.93Å; Q39-G41 VanDerWaalsContact C-N 3.34Å; Q39-L190 VanDerWaalsContact NE2-CD1 3.3Å
40G84.4Confident86.1Confident64 Ų6448.6 Ų48.666%0.6627%0.274SS*.THydrogen-bonded Turntrans82.96.6-175.800000114.5L36 A37L36-G40 PolarHBondContact O-N 3.14Å; A37-G40 PolarHBondContact O-N 3.32Å
41G77.9Confident85.4Confident12 Ų1248.7 Ų48.712%0.12428%0.275CS..SBendtrans-90.31.8-177.700000115L36 Q39 Y70 E71L36-G41 PolarHBondContact O-N 3.3Å; Q39-G41 VanDerWaalsContact C-N 3.34Å; G41-Y70 CarbonylContact O-C 3.57Å; G41-E71 WeakPolarHBondContact O-CG 3.37Å; G41-E71 PolarHBondContact O-N 3.14Å
42A79.9Confident84.6Confident23 Ų2350.1 Ų50.119%0.1929%0.29CS..BIsolated β-bridgetrans-156.2166179.900000112.1T33 L36 A37T33-A42 WeakPolarHBondContact O-CB 3.36Å; L36-A42 HydrophobicContact CB-CB 3.96Å; A37-A42 WeakPolarHBondContact CA-O 3.48Å; A37-A42 HydrophobicContact CB-CB 4.24Å; A37-A42 VanDerWaalsContact CB-O 3.28Å; A37-A42 WeakPolarHBondContact CB-O 3.39Å
43Q80.6Confident83.9Confident169 Ų16951.4 Ų51.479%0.7930%0.301SS*.  trans-92.6123.7156.5-65.5-175.24.400107.4M45Q43-M45 PolarHBondContact O-N 3.45Å
44A78.1Confident83.2Confident51 Ų5156.2 Ų56.242%0.42133%0.332SS..  trans-59.2131.7177.900000109.8A37A37-A44 HydrophobicContact CB-CB 3.87Å
45M80Confident82.7Confident43 Ų4359.2 Ų59.221%0.21234%0.344CS..  trans-120.8125.6176.4-63.7-170.362.900109.9A30 T33 Q43 Q49 I50 V68A30-M45 WeakPolarHBondContact CA-O 3.39Å; A30-M45 WeakPolarHBondContact CB-O 3.27Å; T33-M45 HydrophobicContact CG2-CB 4.42Å; T33-M45 HydrophobicContact CG2-CG 4.48Å; T33-M45 PolarHBondContact OG1-N 3.22Å; T33-M45 VanDerWaalsContact OG1-N 3.11Å; T33-M45 PolarHBondContact OG1-O 3.21Å; Q43-M45 PolarHBondContact O-N 3.45Å; M45-Q49 HydrophobicContact CE-CB 4.05Å; M45-I50 HydrophobicContact CB-CG1 4.46Å; M45-I50 HydrophobicContact CE-CG1 4.4Å; M45-V68 HydrophobicContact CE-CG1 3.86Å; M45-V68 HydrophobicContact SD-CB 3.86Å; M45-V68 HydrophobicContact SD-CG1 3.54Å; M45-V68 VanDerWaalsContact SD-CG1 3.54Å
46D81.5Confident82.1Confident100 Ų10059.5 Ų59.554%0.53535%0.345SS..  trans-75.4156.6173.4-69.5-28.1000110.9A48 Q49 I50D46-A48 PolarHBondContact O-N 3.3Å; D46-A48 VanDerWaalsContact O-N 3.13Å; D46-Q49 HydrophobicContact CB-CG 4.3Å; D46-Q49 WeakPolarHBondContact O-CA 3.42Å; D46-Q49 WeakPolarHBondContact O-CB 3.41Å; D46-Q49 PolarHBondContact O-N 2.67Å; D46-I50 PolarHBondContact O-N 3.47Å
47Y77.2Confident81.5Confident84 Ų8466.8 Ų66.833%0.32937%0.372SS..Hα-helixtrans-46.1-46.1174.8-175.1-78.7000112.7T26 Q49 I50 D51T26-Y47 HydrophobicContact CG2-CD2 3.77Å; T26-Y47 HydrophobicContact CG2-CE1 4.42Å; T26-Y47 HydrophobicContact CG2-CE2 3.61Å; T26-Y47 HydrophobicContact CG2-CG 4.27Å; Y47-Q49 PolarHBondContact O-N 3.48Å; Y47-I50 PolarHBondContact O-N 3.45Å; Y47-I50 VanDerWaalsContact O-N 3.1Å; Y47-D51 HydrophobicContact CD1-CB 4.4Å; Y47-D51 HydrophobicContact CE1-CB 3.88Å; Y47-D51 VanDerWaalsContact CE1-OD2 3.3Å; Y47-D51 WeakPolarHBondContact CE1-OD2 3.08Å; Y47-D51 PolarHBondContact O-N 2.8Å; Y47-D51 PolarHBondContact OH-OD2 2.67Å
48A76.6Confident81Confident48 Ų4873.2 Ų73.240%0.39740%0.397SS..Hα-helixtrans-71.9-11.3-178.300000114.5D46 R57D46-A48 PolarHBondContact O-N 3.3Å; D46-A48 VanDerWaalsContact O-N 3.13Å; A48-R57 PolarHBondContact O-NH2 3.01Å
49Q78.7Confident80.6Confident113 Ų11373.4 Ų73.453%0.52840%0.395SS..Hα-helixtrans-85.9-24.7171.6-61.9-178.9-85.900111.8M45 D46 Y47M45-Q49 HydrophobicContact CE-CB 4.05Å; D46-Q49 HydrophobicContact CB-CG 4.3Å; D46-Q49 WeakPolarHBondContact O-CA 3.42Å; D46-Q49 WeakPolarHBondContact O-CB 3.41Å; D46-Q49 PolarHBondContact O-N 2.67Å; Y47-Q49 PolarHBondContact O-N 3.48Å
50I80Confident80.3Confident9 Ų969.8 Ų69.85%0.04639%0.389CS..Hα-helixtrans-84.5-58.7175.5-53.1176.5000108.8T26 T29 A30 M45 D46 Y47 G52 A66 V68 D81T26-I50 HydrophobicContact CG2-CB 3.82Å; T26-I50 HydrophobicContact CG2-CD1 4.4Å; T26-I50 HydrophobicContact CG2-CG2 3.75Å; T29-I50 HydrophobicContact CG2-CD1 3.77Å; A30-I50 HydrophobicContact CB-CD1 4Å; M45-I50 HydrophobicContact CB-CG1 4.46Å; M45-I50 HydrophobicContact CE-CG1 4.4Å; D46-I50 PolarHBondContact O-N 3.47Å; Y47-I50 PolarHBondContact O-N 3.45Å; Y47-I50 VanDerWaalsContact O-N 3.1Å; I50-G52 PolarHBondContact O-N 2.98Å; I50-A66 HydrophobicContact CG2-CB 3.46Å; I50-A66 VanDerWaalsContact CG2-CB 3.46Å; I50-V68 HydrophobicContact CG1-CG1 4.24Å; I50-D81 HydrophobicContact CG2-CB 4.24Å
51D81.1Confident80.1Confident2 Ų267.9 Ų67.91%0.01136%0.363CS..SBendtrans-82.768.8170.9-78.8-8.1000109.8T26 Y47 E56 R57 T62T26-D51 HydrophobicContact CG2-CB 4.49Å; Y47-D51 HydrophobicContact CD1-CB 4.4Å; Y47-D51 HydrophobicContact CE1-CB 3.88Å; Y47-D51 VanDerWaalsContact CE1-OD2 3.3Å; Y47-D51 WeakPolarHBondContact CE1-OD2 3.08Å; Y47-D51 PolarHBondContact O-N 2.8Å; Y47-D51 PolarHBondContact OH-OD2 2.67Å; D51-E56 HydrophobicContact CB-CB 4.16Å; D51-R57 WeakPolarHBondContact O-CG 3.34Å; D51-R57 PolarHBondContact O-NE 2.94Å; D51-T62 WeakPolarHBondContact OD1-CA 3.44Å; D51-T62 WeakPolarHBondContact OD1-CB 3.41Å; D51-T62 PolarHBondContact OD1-OG1 2.82Å
52G78.8Confident80.2Confident31 Ų3167.8 Ų67.832%0.3236%0.36SS..  trans-84.5-24.6-172.300000114.6I50 E56 R57I50-G52 PolarHBondContact O-N 2.98Å; G52-E56 PolarHBondContact N-OE2 2.95Å; G52-R57 PolarHBondContact O-NE 3.13Å
53A81.1Confident80.1Confident27 Ų2767.1 Ų67.122%0.22335%0.353CS..SBendtrans-70144-172.900000111E55 E56 R57A53-E55 PolarHBondContact O-N 3.33Å; A53-E56 HydrophobicContact CB-CB 4.24Å; A53-E56 HydrophobicContact CB-CG 3.93Å; A53-E56 WeakPolarHBondContact CB-OE2 3.44Å; A53-E56 PolarHBondContact N-OE2 2.89Å; A53-E56 PolarHBondContact O-N 2.71Å; A53-E56 VanDerWaalsContact O-N 3.1Å; A53-R57 PolarHBondContact O-N 3.31Å
54P79.9Confident80.2Confident101 Ų10163 Ų6366%0.65634%0.336SS*.Hα-helixtrans-53.5-39.7177.1-27.134.9000112.9R57 E58P54-R57 PolarHBondContact O-N 2.74Å; P54-E58 WeakPolarHBondContact O-CB 3.39Å; P54-E58 WeakPolarHBondContact O-CG 3.39Å; P54-E58 PolarHBondContact O-N 2.9Å
55E82.4Confident80.4Confident87 Ų8762 Ų6241%0.40733%0.325SS..Hα-helixtrans-69.3-36.6179.5-164.8177.6-174.700112.9A53 E58 R59 I63A53-E55 PolarHBondContact O-N 3.33Å; E55-E58 PolarHBondContact O-N 3.5Å; E55-R59 WeakPolarHBondContact O-CB 3.41Å; E55-R59 WeakPolarHBondContact O-CG 3.37Å; E55-R59 PolarHBondContact O-N 2.92Å; E55-R59 IonicContact OE1-CZ 2.53Å; E55-R59 IonicContact OE1-NE 2.79Å; E55-R59 PolarHBondContact OE1-NE 3.34Å; E55-R59 IonicContact OE1-NH2 3.4Å; E55-R59 PolarHBondContact OE1-NH2 2.97Å; E55-I63 HydrophobicContact CB-CD1 3.86Å; E55-I63 HydrophobicContact CG-CD1 3.49Å; E55-I63 VanDerWaalsContact CG-CD1 3.49Å
56E82.7Confident80.7Confident9 Ų960.8 Ų60.84%0.04232%0.322CS..Hα-helixtrans-64.9-44175.4-69.9167.3162.400110.5D51 G52 A53 E58 R59 G60 I61 I63 N64D51-E56 HydrophobicContact CB-CB 4.16Å; G52-E56 PolarHBondContact N-OE2 2.95Å; A53-E56 HydrophobicContact CB-CB 4.24Å; A53-E56 HydrophobicContact CB-CG 3.93Å; A53-E56 WeakPolarHBondContact CB-OE2 3.44Å; A53-E56 PolarHBondContact N-OE2 2.89Å; A53-E56 PolarHBondContact O-N 2.71Å; A53-E56 VanDerWaalsContact O-N 3.1Å; E56-E58 PolarHBondContact O-N 3.01Å; E56-R59 PolarHBondContact O-N 2.91Å; E56-G60 WeakPolarHBondContact O-CA 3.33Å; E56-G60 PolarHBondContact O-N 2.95Å; E56-I61 WeakPolarHBondContact CA-O 3.16Å; E56-I61 PolarHBondContact O-N 3.34Å; E56-I63 HydrophobicContact CG-CB 3.68Å; E56-I63 HydrophobicContact CG-CD1 3.97Å; E56-I63 HydrophobicContact CG-CG1 3.73Å; E56-I63 PolarHBondContact OE1-N 2.91Å; E56-I63 VanDerWaalsContact OE1-N 3.15Å; E56-N64 PolarHBondContact OE1-N 3.48Å; E56-N64 PolarHBondContact OE1-ND2 3.13Å
57R80.2Confident81.1Confident155 Ų15560.4 Ų60.459%0.58532%0.317SS*.Hα-helixtrans-66.2-37.2177.4-67.3179.2-179.2172.4-0.1113A48 D51 G52 A53 P54A48-R57 PolarHBondContact O-NH2 3.01Å; D51-R57 WeakPolarHBondContact O-CG 3.34Å; D51-R57 PolarHBondContact O-NE 2.94Å; G52-R57 PolarHBondContact O-NE 3.13Å; A53-R57 PolarHBondContact O-N 3.31Å; P54-R57 PolarHBondContact O-N 2.74Å
58E81.8Confident81.7Confident165 Ų16556.6 Ų56.677%0.77130%0.302SS*.Hα-helixtrans-71.3-38.3177.8-78.5177.4-171.200112.4P54 E55 E56P54-E58 WeakPolarHBondContact O-CB 3.39Å; P54-E58 WeakPolarHBondContact O-CG 3.39Å; P54-E58 PolarHBondContact O-N 2.9Å; E55-E58 PolarHBondContact O-N 3.5Å; E56-E58 PolarHBondContact O-N 3.01Å
59R81.1Confident82.5Confident133 Ų13359.9 Ų59.950%0.50231%0.309SS..Hα-helixtrans-89.6-18.5-178.1-63.9-171.3-173.2-157.410.9113.9E55 E56 I61 Y88E55-R59 WeakPolarHBondContact O-CB 3.41Å; E55-R59 WeakPolarHBondContact O-CG 3.37Å; E55-R59 PolarHBondContact O-N 2.92Å; E55-R59 IonicContact OE1-CZ 2.53Å; E55-R59 IonicContact OE1-NE 2.79Å; E55-R59 PolarHBondContact OE1-NE 3.34Å; E55-R59 IonicContact OE1-NH2 3.4Å; E55-R59 PolarHBondContact OE1-NH2 2.97Å; E56-R59 PolarHBondContact O-N 2.91Å; R59-I61 VanDerWaalsContact C-N 3.28Å; R59-I61 HydrophobicContact CB-CD1 4.23Å; R59-I61 HydrophobicContact CB-CG1 3.81Å; R59-I61 PolarHBondContact O-N 3.43Å; R59-Y88 PolarHBondContact NH1-OH 3.17Å; R59-Y88 VanDerWaalsContact NH1-OH 3.11Å
60G82Confident83.2Confident40 Ų4054.7 Ų54.741%0.41229%0.285SS..THydrogen-bonded Turntrans68.824.6-176.100000113.7E56E56-G60 WeakPolarHBondContact O-CA 3.33Å; E56-G60 PolarHBondContact O-N 2.95Å
61I80Confident83.8Confident24 Ų2457.1 Ų57.112%0.12330%0.296CS..SBendtrans-135143.6179.662.7-177.7000109.6V21 E56 R59 I63 H85 Y88V21-I61 HydrophobicContact CG2-CG2 3.97Å; E56-I61 WeakPolarHBondContact CA-O 3.16Å; E56-I61 PolarHBondContact O-N 3.34Å; R59-I61 VanDerWaalsContact C-N 3.28Å; R59-I61 HydrophobicContact CB-CD1 4.23Å; R59-I61 HydrophobicContact CB-CG1 3.81Å; R59-I61 PolarHBondContact O-N 3.43Å; I61-I63 HydrophobicContact CG1-CG1 4.33Å; I61-I63 PolarHBondContact O-N 3.48Å; I61-H85 HydrophobicContact CD1-CB 4.33Å; I61-Y88 HydrophobicContact CD1-CD2 4.45Å; I61-Y88 HydrophobicContact CD1-CE2 3.8Å
62T80.3Confident84.4Confident9 Ų957.6 Ų57.66%0.05530%0.299CS..  trans-63.8130.3168.8-46.10000109.7T26 D51 N64 P83T26-T62 PolarHBondContact OG1-OG1 3.16Å; D51-T62 WeakPolarHBondContact OD1-CA 3.44Å; D51-T62 WeakPolarHBondContact OD1-CB 3.41Å; D51-T62 PolarHBondContact OD1-OG1 2.82Å; T62-N64 VanDerWaalsContact CG2-O 3.23Å; T62-N64 WeakPolarHBondContact CG2-O 3.48Å; T62-P83 HydrophobicContact CG2-CB 4.32Å; T62-P83 WeakPolarHBondContact O-CB 3.47Å
63I77.5Confident85Confident9 Ų962.9 Ų62.95%0.04632%0.32CS..  trans-112.8-50.6-179.5-64.7177.9000108.9E55 E56 I61 Y88 N91E55-I63 HydrophobicContact CB-CD1 3.86Å; E55-I63 HydrophobicContact CG-CD1 3.49Å; E55-I63 VanDerWaalsContact CG-CD1 3.49Å; E56-I63 HydrophobicContact CG-CB 3.68Å; E56-I63 HydrophobicContact CG-CD1 3.97Å; E56-I63 HydrophobicContact CG-CG1 3.73Å; E56-I63 PolarHBondContact OE1-N 2.91Å; E56-I63 VanDerWaalsContact OE1-N 3.15Å; I61-I63 HydrophobicContact CG1-CG1 4.33Å; I61-I63 PolarHBondContact O-N 3.48Å; I63-Y88 HydrophobicContact CB-CE2 4.38Å; I63-Y88 HydrophobicContact CD1-CE2 4.43Å; I63-Y88 HydrophobicContact CG1-CD2 4.3Å; I63-Y88 HydrophobicContact CG1-CE2 3.73Å; I63-Y88 HydrophobicContact CG2-CD1 4.01Å; I63-Y88 HydrophobicContact CG2-CE1 3.69Å; I63-Y88 HydrophobicContact CG2-CE2 4.36Å; I63-Y88 HydrophobicContact CG2-CG 4.48Å; I63-N91 PolarHBondContact O-ND2 3.19Å
64N82.9Confident85.6Confident82 Ų8266.5 Ų66.544%0.43934%0.335SS..SBendtrans-97.1155.8179.5-54.6-65.7000110.4E56 T62 A66E56-N64 PolarHBondContact OE1-N 3.48Å; E56-N64 PolarHBondContact OE1-ND2 3.13Å; T62-N64 VanDerWaalsContact CG2-O 3.23Å; T62-N64 WeakPolarHBondContact CG2-O 3.48Å; N64-A66 PolarHBondContact O-N 3.09Å
65T82.6Confident86.2Confident32 Ų3263.2 Ų63.220%0.19631%0.31CS..  trans-68.4129.5168.543.60000109.3V80 D81 N91 E216T65-V80 HydrophobicContact CG2-CG1 3.97Å; T65-D81 WeakPolarHBondContact CA-O 3.32Å; T65-N91 WeakPolarHBondContact CG2-O 3.31Å; T65-E216 PolarHBondContact OG1-OE1 3.41Å; T65-E216 VanDerWaalsContact OG1-OE1 3.08Å
66A87.3Confident86.8Confident16 Ų1660 Ų6013%0.13230%0.295CS..EExtended strand (participates in β ladder)trans-105.5132.617400000109.9I50 N64 V80 D81I50-A66 HydrophobicContact CG2-CB 3.46Å; I50-A66 VanDerWaalsContact CG2-CB 3.46Å; N64-A66 PolarHBondContact O-N 3.09Å; A66-V80 CarbonylContact O-C 3.57Å; A66-V80 WeakPolarHBondContact O-CA 3.46Å; A66-D81 HydrophobicContact CB-CB 4.34Å; A66-D81 PolarHBondContact N-O 3.43Å; A66-D81 PolarHBondContact O-N 2.85Å
67H88.4Confident87.4Confident93 Ų9359.6 Ų59.643%0.43129%0.293SS..EExtended strand (participates in β ladder)trans-104.4120.6178.9-69.9-104.4000109.5H79 E216H67-H79 WeakPolarHBondContact CA-O 3Å; H67-E216 IonicContact CD2-OE1 3.3Å; H67-E216 IonicContact CE1-OE1 3.57Å; H67-E216 IonicContact CE1-OE2 3.64Å; H67-E216 PolarHBondContact CE1-OE2 3.42Å; H67-E216 IonicContact NE2-OE1 2.76Å; H67-E216 PolarHBondContact NE2-OE1 3.31Å; H67-E216 IonicContact NE2-OE2 3.26Å; H67-E216 PolarHBondContact NE2-OE2 3.47Å; H67-E216 VanDerWaalsContact NE2-OE2 3.16Å
68V91.2Very high88Confident4 Ų452.9 Ų52.92%0.02427%0.27CS..EExtended strand (participates in β ladder)trans-123.9149175-52.90000110.4T29 T33 M45 I50 Y70 H79T29-V68 HydrophobicContact CG2-CG1 4.33Å; T29-V68 HydrophobicContact CG2-CG2 3.44Å; T29-V68 VanDerWaalsContact CG2-CG2 3.44Å; T33-V68 HydrophobicContact CG2-CB 4.41Å; T33-V68 HydrophobicContact CG2-CG2 4.13Å; M45-V68 HydrophobicContact CE-CG1 3.86Å; M45-V68 HydrophobicContact SD-CB 3.86Å; M45-V68 HydrophobicContact SD-CG1 3.54Å; M45-V68 VanDerWaalsContact SD-CG1 3.54Å; I50-V68 HydrophobicContact CG1-CG1 4.24Å; V68-Y70 HydrophobicContact CG2-CD1 4.13Å; V68-Y70 HydrophobicContact CG2-CE1 4.04Å; V68-H79 HydrophobicContact CG2-CB 3.69Å; V68-H79 PolarHBondContact N-O 2.78Å; V68-H79 PolarHBondContact O-N 3.13Å
69E91.8Very high88.6Confident116 Ų11645 Ų4554%0.54223%0.234SC..EExtended strand (participates in β ladder)trans-116.8138.1179.8-67.9180-174.300110.1H76 Y77E69-H76 IonicContact OE2-NE2 2.88Å; E69-Y77 WeakPolarHBondContact CA-O 3.46Å
70Y94Very high89.2Confident4 Ų438.8 Ų38.82%0.01621%0.21CC..EExtended strand (participates in β ladder)trans-157.4166.2173.252.3-102.8000109.6I15 I32 T33 L36 G41 V68 Y77 H79 M193I15-Y70 HydrophobicContact CD1-CE2 4.07Å; I15-Y70 WeakPolarHBondContact CD1-OH 3.37Å; I32-Y70 HydrophobicContact CG2-CD1 4.05Å; I32-Y70 HydrophobicContact CG2-CD2 4.06Å; I32-Y70 HydrophobicContact CG2-CE1 3.7Å; I32-Y70 HydrophobicContact CG2-CE2 3.75Å; I32-Y70 HydrophobicContact CG2-CG 4.19Å; T33-Y70 HydrophobicContact CG2-CD1 3.9Å; L36-Y70 HydrophobicContact CD1-CD2 3.44Å; L36-Y70 VanDerWaalsContact CD1-CD2 3.44Å; L36-Y70 HydrophobicContact CD1-CE2 4.12Å; L36-Y70 HydrophobicContact CD1-CG 3.89Å; G41-Y70 CarbonylContact O-C 3.57Å; V68-Y70 HydrophobicContact CG2-CD1 4.13Å; V68-Y70 HydrophobicContact CG2-CE1 4.04Å; Y70-Y77 HydrophobicContact CD2-CD2 4.18Å; Y70-Y77 HydrophobicContact CD2-CG 4.3Å; Y70-Y77 VanDerWaalsContact CE2-CB 3.49Å; Y70-Y77 AromaticContact CE2-CD2 4Å; Y70-Y77 HydrophobicContact CE2-CD2 4Å; Y70-Y77 AromaticContact CE2-CG 3.88Å; Y70-Y77 HydrophobicContact CE2-CG 3.88Å; Y70-Y77 PolarHBondContact N-O 3.44Å; Y70-Y77 VanDerWaalsContact N-O 3.17Å; Y70-Y77 WeakPolarHBondContact O-CA 3.47Å; Y70-Y77 WeakPolarHBondContact O-CB 3.47Å; Y70-Y77 PolarHBondContact O-N 2.84Å; Y70-Y77 VanDerWaalsContact O-O 3.11Å; Y70-H79 HydrophobicContact CD1-CB 4.38Å; Y70-H79 HydrophobicContact CE1-CB 3.43Å; Y70-H79 VanDerWaalsContact CE1-CB 3.43Å; Y70-H79 AromaticContact CE1-CG 3.84Å; Y70-H79 AromaticContact CE1-ND1 3.59Å; Y70-H79 AromaticContact CZ-ND1 3.57Å; Y70-H79 PolarHBondContact OH-ND1 3.11Å; Y70-M193 HydrophobicContact CD2-CE 4.38Å; Y70-M193 HydrophobicContact CE2-CE 3.6Å; Y70-M193 HydrophobicContact CE2-SD 4.06Å
71E93.6Very high89.8Confident60 Ų6036.9 Ų36.928%0.2819%0.191SC..EExtended strand (participates in β ladder)trans-137.4150.2179.654.7168.1-130.500111.8K10 G41 R75K10-E71 IonicContact NZ-OE1 3.22Å; K10-E71 PolarHBondContact NZ-OE1 3.17Å; K10-E71 IonicContact NZ-OE2 3.74Å; K10-E71 PolarHBondContact NZ-OE2 3.17Å; G41-E71 WeakPolarHBondContact O-CG 3.37Å; G41-E71 PolarHBondContact O-N 3.14Å; E71-R75 VanDerWaalsContact CA-O 3.29Å; E71-R75 WeakPolarHBondContact CA-O 3.43Å; E71-R75 VanDerWaalsContact CB-O 3.3Å; E71-R75 WeakPolarHBondContact CB-O 3.13Å
72T93.8Very high90.3Very high12 Ų1235.7 Ų35.77%0.07419%0.185CC..  trans-98-179.8164.566.60000108.7K10 N74 R75 Y77 M193 D197K10-T72 PolarHBondContact NZ-O 3.08Å; T72-N74 PolarHBondContact O-N 3.08Å; T72-N74 PolarHBondContact OG1-N 3.18Å; T72-R75 PolarHBondContact N-O 3.2Å; T72-R75 PolarHBondContact OG1-N 3.43Å; T72-Y77 HydrophobicContact CG2-CD2 4.31Å; T72-Y77 HydrophobicContact CG2-CE2 3.84Å; T72-M193 HydrophobicContact CG2-CB 4.18Å; T72-M193 HydrophobicContact CG2-CE 3.92Å; T72-D197 WeakPolarHBondContact CB-OD2 3.36Å; T72-D197 PolarHBondContact OG1-OD1 3.37Å; T72-D197 VanDerWaalsContact OG1-OD1 3.12Å; T72-D197 PolarHBondContact OG1-OD2 3.44Å
73D91.2Very high90.8Very high143 Ų14335.3 Ų35.377%0.76518%0.182SC*.SBendtrans-59.3-27.7171.1-73.1-26000112.4
74N92.1Very high91.3Very high102 Ų10235 Ų3555%0.54518%0.182SC..SBendtrans-93.7-37.9-172.9-60.7-52.5000113.6P11 T72 D197P11-N74 WeakPolarHBondContact CD-O 3.43Å; T72-N74 PolarHBondContact O-N 3.08Å; T72-N74 PolarHBondContact OG1-N 3.18Å; N74-D197 PolarHBondContact ND2-OD2 3.09Å
75R93.3Very high91.5Very high33 Ų3333.9 Ų33.913%0.12517%0.174CC..  trans-147.5157.1-165.7-60.6-172.8-167.8155.2-0.3113.1P11 E71 T72 Y77 D197 I200 T202P11-R75 HydrophobicContact CB-CG 4.31Å; P11-R75 WeakPolarHBondContact O-CA 3.17Å; E71-R75 VanDerWaalsContact CA-O 3.29Å; E71-R75 WeakPolarHBondContact CA-O 3.43Å; E71-R75 VanDerWaalsContact CB-O 3.3Å; E71-R75 WeakPolarHBondContact CB-O 3.13Å; T72-R75 PolarHBondContact N-O 3.2Å; T72-R75 PolarHBondContact OG1-N 3.43Å; R75-Y77 HydrophobicContact CB-CD2 4.5Å; R75-Y77 HydrophobicContact CB-CE2 3.82Å; R75-D197 PolarHBondContact NH1-O 3.4Å; R75-D197 VanDerWaalsContact NH1-O 3.14Å; R75-D197 PolarHBondContact NH2-O 3.31Å; R75-I200 PolarHBondContact NH1-O 3.43Å; R75-I200 PolarHBondContact NH2-O 2.88Å; R75-T202 PolarHBondContact NE-OG1 3.25Å
76H94.2Very high91.7Very high20 Ų2034.6 Ų34.69%0.09318%0.183CC..EExtended strand (participates in β ladder)trans-96.3135.4166.6178.4-70000109.8F6 K10 P11 H12 V13 E69F6-H76 AromaticContact CE2-CE1 3.8Å; F6-H76 AromaticContact CE2-NE2 3.53Å; F6-H76 AromaticContact CZ-CD2 3.99Å; F6-H76 AromaticContact CZ-CE1 3.67Å; F6-H76 AromaticContact CZ-NE2 3.62Å; K10-H76 HydrophobicContact CB-CB 4.39Å; P11-H76 PolarHBondContact O-N 3.45Å; H12-H76 WeakPolarHBondContact CA-O 3.32Å; H12-H76 AromaticContact CE1-CE1 3.83Å; H12-H76 AromaticContact CE1-ND1 3.44Å; H12-H76 PolarHBondContact CE1-ND1 2.79Å; H12-H76 AromaticContact ND1-CE1 3.72Å; H12-H76 AromaticContact ND1-CG 3.88Å; H12-H76 AromaticContact ND1-ND1 2.98Å; H12-H76 PolarHBondContact ND1-ND1 2.76Å; V13-H76 PolarHBondContact N-O 3.27Å; E69-H76 IonicContact OE2-NE2 2.88Å
77Y95.3Very high91.6Very high0 Ų039.4 Ų39.40%021%0.206CC..EExtended strand (participates in β ladder)trans-116.7130.7179.7-68.9-77.6000111.5V13 I15 E69 Y70 T72 R75 M193 V196 D197V13-Y77 HydrophobicContact CB-CD1 3.97Å; V13-Y77 HydrophobicContact CB-CE1 3.76Å; V13-Y77 HydrophobicContact CG1-CD1 4.48Å; V13-Y77 HydrophobicContact CG1-CE1 4.12Å; V13-Y77 HydrophobicContact CG2-CE1 4.4Å; V13-Y77 WeakPolarHBondContact O-CA 3.11Å; I15-Y77 HydrophobicContact CD1-CD1 3.43Å; I15-Y77 VanDerWaalsContact CD1-CD1 3.43Å; I15-Y77 HydrophobicContact CD1-CE1 4.01Å; I15-Y77 HydrophobicContact CD1-CG 3.85Å; I15-Y77 HydrophobicContact CG1-CD1 3.8Å; I15-Y77 HydrophobicContact CG1-CG 4.39Å; I15-Y77 HydrophobicContact CG2-CD1 3.95Å; I15-Y77 HydrophobicContact CG2-CE1 4.06Å; E69-Y77 WeakPolarHBondContact CA-O 3.46Å; Y70-Y77 HydrophobicContact CD2-CD2 4.18Å; Y70-Y77 HydrophobicContact CD2-CG 4.3Å; Y70-Y77 VanDerWaalsContact CE2-CB 3.49Å; Y70-Y77 AromaticContact CE2-CD2 4Å; Y70-Y77 HydrophobicContact CE2-CD2 4Å; Y70-Y77 AromaticContact CE2-CG 3.88Å; Y70-Y77 HydrophobicContact CE2-CG 3.88Å; Y70-Y77 PolarHBondContact N-O 3.44Å; Y70-Y77 VanDerWaalsContact N-O 3.17Å; Y70-Y77 WeakPolarHBondContact O-CA 3.47Å; Y70-Y77 WeakPolarHBondContact O-CB 3.47Å; Y70-Y77 PolarHBondContact O-N 2.84Å; Y70-Y77 VanDerWaalsContact O-O 3.11Å; T72-Y77 HydrophobicContact CG2-CD2 4.31Å; T72-Y77 HydrophobicContact CG2-CE2 3.84Å; R75-Y77 HydrophobicContact CB-CD2 4.5Å; R75-Y77 HydrophobicContact CB-CE2 3.82Å; Y77-M193 HydrophobicContact CD2-CE 3.95Å; Y77-M193 HydrophobicContact CE2-CE 3.87Å; Y77-M193 HydrophobicContact CG-CE 4.5Å; Y77-V196 HydrophobicContact CE1-CG1 3.76Å; Y77-D197 WeakPolarHBondContact CE2-OD1 3.17Å; Y77-D197 PolarHBondContact OH-OD1 3.07Å
78A93.8Very high91.6Very high13 Ų1336.6 Ų36.611%0.10719%0.192CC..EExtended strand (participates in β ladder)trans-98.4122.615600000107.3V13 N14 I15V13-A78 PolarHBondContact O-N 3.13Å; N14-A78 CarbonylContact C-O 3.51Å; N14-A78 WeakPolarHBondContact CA-O 3.09Å; I15-A78 PolarHBondContact N-O 3.41Å
79H94.8Very high91.5Very high1 Ų137.3 Ų37.31%0.00520%0.197CC..EExtended strand (participates in β ladder)trans-110.9126.2-176.9-178.1135.5000110I15 T17 T29 H67 V68 Y70I15-H79 HydrophobicContact CG1-CB 4.23Å; I15-H79 CarbonylContact O-C 3.53Å; I15-H79 VanDerWaalsContact O-CA 3.24Å; I15-H79 WeakPolarHBondContact O-CA 3.38Å; T17-H79 VanDerWaalsContact CG2-CE1 3.49Å; T17-H79 WeakPolarHBondContact CG2-CE1 3.3Å; T17-H79 WeakPolarHBondContact CG2-NE2 3.34Å; T17-H79 PolarHBondContact N-NE2 3.49Å; T17-H79 PolarHBondContact OG1-NE2 3.45Å; T17-H79 VanDerWaalsContact OG1-NE2 3.09Å; T29-H79 PolarHBondContact OG1-CE1 2.95Å; T29-H79 PolarHBondContact OG1-NE2 2.82Å; H67-H79 WeakPolarHBondContact CA-O 3Å; V68-H79 HydrophobicContact CG2-CB 3.69Å; V68-H79 PolarHBondContact N-O 2.78Å; V68-H79 PolarHBondContact O-N 3.13Å; Y70-H79 HydrophobicContact CD1-CB 4.38Å; Y70-H79 HydrophobicContact CE1-CB 3.43Å; Y70-H79 VanDerWaalsContact CE1-CB 3.43Å; Y70-H79 AromaticContact CE1-CG 3.84Å; Y70-H79 AromaticContact CE1-ND1 3.59Å; Y70-H79 AromaticContact CZ-ND1 3.57Å; Y70-H79 PolarHBondContact OH-ND1 3.11Å
80V93.7Very high91.4Very high1 Ų139.9 Ų39.91%0.00621%0.206CC..EExtended strand (participates in β ladder)trans-102.3110.6174.1-170.60000110I15 G16 T17 T65 A66 C82 M99I15-V80 PolarHBondContact O-N 3.25Å; G16-V80 CarbonylContact C-O 3.5Å; G16-V80 WeakPolarHBondContact CA-O 3.42Å; T17-V80 PolarHBondContact N-O 3.23Å; T17-V80 VanDerWaalsContact N-O 3.07Å; T65-V80 HydrophobicContact CG2-CG1 3.97Å; A66-V80 CarbonylContact O-C 3.57Å; A66-V80 WeakPolarHBondContact O-CA 3.46Å; V80-C82 PolarHBondContact O-N 3.39Å; V80-M99 HydrophobicContact CB-CE 4.19Å
81D93.7Very high91.2Very high0 Ų042 Ų420%022%0.218CC..EExtended strand (participates in β ladder)trans-81.8113172.7-174.645.6000109.2T17 K25 T26 T29 I50 T65 A66T17-D81 WeakPolarHBondContact OG1-CA 3.23Å; T17-D81 PolarHBondContact OG1-OD1 2.79Å; K25-D81 WeakPolarHBondContact CB-OD1 2.86Å; T26-D81 WeakPolarHBondContact CA-OD2 3.33Å; T26-D81 WeakPolarHBondContact CB-OD2 3.36Å; T26-D81 PolarHBondContact N-OD1 3.24Å; T26-D81 PolarHBondContact OG1-OD2 2.91Å; T29-D81 HydrophobicContact CG2-CB 4.49Å; I50-D81 HydrophobicContact CG2-CB 4.24Å; T65-D81 WeakPolarHBondContact CA-O 3.32Å; A66-D81 HydrophobicContact CB-CB 4.34Å; A66-D81 PolarHBondContact N-O 3.43Å; A66-D81 PolarHBondContact O-N 2.85Å
82C91.7Very high91Very high0 Ų039.2 Ų39.20%020%0.204CC..  trans-96.3147-176.7-72.20000112.1T17 K25 V80 M92 M99T17-C82 WeakPolarHBondContact O-CB 3.49Å; T17-C82 PolarHBondContact O-N 3.15Å; K25-C82 WeakPolarHBondContact CD-O 3.46Å; K25-C82 WeakPolarHBondContact CE-O 3.26Å; V80-C82 PolarHBondContact O-N 3.39Å; C82-M92 HydrophobicContact CB-CB 4.19Å; C82-M92 HydrophobicContact CB-CG 3.72Å; C82-M99 WeakPolarHBondContact SG-CE 3.37Å
83P90.5Very high90.9Very high0 Ų041.5 Ų41.50%022%0.216CC..  trans-68.2147.2174.231-36.6000111.6T62 Y88 N91 M92 H119T62-P83 HydrophobicContact CG2-CB 4.32Å; T62-P83 WeakPolarHBondContact O-CB 3.47Å; P83-Y88 WeakPolarHBondContact CG-O 3.41Å; P83-N91 HydrophobicContact CG-CB 3.9Å; P83-M92 HydrophobicContact CG-CB 4.33Å; P83-H119 PolarHBondContact O-CE1 2.94Å; P83-H119 VanDerWaalsContact O-CE1 3.27Å
84G87.2Confident90.9Very high4 Ų437.4 Ų37.44%0.04120%0.196CC..  trans-109.20.6178.300000115.4G19 V21 Q115G19-G84 VanDerWaalsContact O-CA 3.3Å; G19-G84 WeakPolarHBondContact O-CA 3.49Å; V21-G84 PolarHBondContact N-O 3.44Å; G84-Q115 WeakPolarHBondContact O-CG 3.45Å
85H88.2Confident90.8Very high58 Ų5832.5 Ų32.527%0.26917%0.17SC..SBendtrans-85.2139.8-179.2-168.9-82.8000110.4V21 I61 D87 Y88V21-H85 HydrophobicContact CG2-CB 4.46Å; I61-H85 HydrophobicContact CD1-CB 4.33Å; H85-D87 IonicContact CE1-OD2 3.19Å; H85-D87 PolarHBondContact CE1-OD2 3.2Å; H85-D87 VanDerWaalsContact CE1-OD2 3.25Å; H85-D87 PolarHBondContact ND1-N 2.78Å; H85-D87 IonicContact ND1-OD2 2.66Å; H85-D87 PolarHBondContact O-N 2.89Å; H85-D87 VanDerWaalsContact O-N 3.14Å; H85-Y88 HydrophobicContact CB-CD2 4.01Å; H85-Y88 PolarHBondContact O-N 2.84Å
86A85.1Confident90.7Very high47 Ų4731 Ų3139%0.38816%0.164SC..G310 helixtrans-52.1-40-176.500000113.4Y88 V89A86-Y88 PolarHBondContact O-N 2.61Å; A86-V89 WeakPolarHBondContact O-CG2 3.48Å; A86-V89 PolarHBondContact O-N 3.46Å
87D86.8Confident90.5Very high117 Ų11732.1 Ų32.163%0.62618%0.177SC*.G310 helixtrans-65.7-19.3-178-63.8-14.7000113.7H85H85-D87 IonicContact CE1-OD2 3.19Å; H85-D87 PolarHBondContact CE1-OD2 3.2Å; H85-D87 VanDerWaalsContact CE1-OD2 3.25Å; H85-D87 PolarHBondContact ND1-N 2.78Å; H85-D87 IonicContact ND1-OD2 2.66Å; H85-D87 PolarHBondContact O-N 2.89Å; H85-D87 VanDerWaalsContact O-N 3.14Å
88Y88Confident90.2Very high34 Ų3433 Ų3313%0.13318%0.181CC..G310 helixtrans-113.818.2-175.7-55.2-58.9000113.4R59 I61 I63 P83 H85 A86 K90 N91 M92R59-Y88 PolarHBondContact NH1-OH 3.17Å; R59-Y88 VanDerWaalsContact NH1-OH 3.11Å; I61-Y88 HydrophobicContact CD1-CD2 4.45Å; I61-Y88 HydrophobicContact CD1-CE2 3.8Å; I63-Y88 HydrophobicContact CB-CE2 4.38Å; I63-Y88 HydrophobicContact CD1-CE2 4.43Å; I63-Y88 HydrophobicContact CG1-CD2 4.3Å; I63-Y88 HydrophobicContact CG1-CE2 3.73Å; I63-Y88 HydrophobicContact CG2-CD1 4.01Å; I63-Y88 HydrophobicContact CG2-CE1 3.69Å; I63-Y88 HydrophobicContact CG2-CE2 4.36Å; I63-Y88 HydrophobicContact CG2-CG 4.48Å; P83-Y88 WeakPolarHBondContact CG-O 3.41Å; H85-Y88 HydrophobicContact CB-CD2 4.01Å; H85-Y88 PolarHBondContact O-N 2.84Å; A86-Y88 PolarHBondContact O-N 2.61Å; Y88-K90 PolarHBondContact O-N 3.44Å; Y88-K90 VanDerWaalsContact O-N 3.13Å; Y88-N91 PolarHBondContact O-N 3.41Å; Y88-M92 PolarHBondContact O-N 2.85Å
89V88.3Confident90.3Very high19 Ų1932.5 Ų32.512%0.11518%0.176CC..Hα-helixtrans-54.2-33.2176.1168.60000112.3A86 N91 M92 I93 L122A86-V89 WeakPolarHBondContact O-CG2 3.48Å; A86-V89 PolarHBondContact O-N 3.46Å; V89-N91 VanDerWaalsContact C-N 3.32Å; V89-N91 PolarHBondContact O-N 3Å; V89-M92 WeakPolarHBondContact O-CB 3.4Å; V89-M92 PolarHBondContact O-N 3.23Å; V89-I93 HydrophobicContact CG1-CD1 3.97Å; V89-I93 HydrophobicContact CG1-CG1 4.3Å; V89-I93 WeakPolarHBondContact O-CG1 3.35Å; V89-I93 PolarHBondContact O-N 3.26Å; V89-L122 HydrophobicContact CG1-CD1 3.48Å; V89-L122 VanDerWaalsContact CG1-CD1 3.48Å
90K90.4Very high90.3Very high169 Ų16933 Ų3374%0.73518%0.18SC*.Hα-helixtrans-57.8-43.9175.9-67.3-176.8-178.2176.90112.7Y88 M92 I93 T94Y88-K90 PolarHBondContact O-N 3.44Å; Y88-K90 VanDerWaalsContact O-N 3.13Å; K90-M92 VanDerWaalsContact C-N 3.33Å; K90-I93 PolarHBondContact O-N 2.81Å; K90-T94 PolarHBondContact O-N 3.13Å; K90-T94 VanDerWaalsContact O-N 3.17Å; K90-T94 PolarHBondContact O-OG1 3.39Å
91N89.2Confident90.5Very high50 Ų5033 Ų3327%0.26718%0.179SC..Hα-helixtrans-70.2-36.9-179.6-66.3-2.3000110.1I63 T65 P83 Y88 V89 T94 G95I63-N91 PolarHBondContact O-ND2 3.19Å; T65-N91 WeakPolarHBondContact CG2-O 3.31Å; P83-N91 HydrophobicContact CG-CB 3.9Å; Y88-N91 PolarHBondContact O-N 3.41Å; V89-N91 VanDerWaalsContact C-N 3.32Å; V89-N91 PolarHBondContact O-N 3Å; N91-T94 PolarHBondContact O-N 2.83Å; N91-G95 PolarHBondContact O-N 2.85Å
92M90.6Very high90.7Very high0 Ų033 Ų330%018%0.179CC..Hα-helixtrans-60.5-44.3172.2-173-83.1-6900112.1C82 P83 Y88 V89 K90 T94 G95 A96 H119 L122C82-M92 HydrophobicContact CB-CB 4.19Å; C82-M92 HydrophobicContact CB-CG 3.72Å; P83-M92 HydrophobicContact CG-CB 4.33Å; Y88-M92 PolarHBondContact O-N 2.85Å; V89-M92 WeakPolarHBondContact O-CB 3.4Å; V89-M92 PolarHBondContact O-N 3.23Å; K90-M92 VanDerWaalsContact C-N 3.33Å; M92-T94 VanDerWaalsContact C-N 3.34Å; M92-T94 PolarHBondContact O-N 3.47Å; M92-G95 PolarHBondContact O-N 2.82Å; M92-A96 VanDerWaalsContact O-CB 3.26Å; M92-A96 WeakPolarHBondContact O-CB 3.49Å; M92-A96 PolarHBondContact O-N 3.19Å; M92-A96 HydrophobicContact SD-CB 4.03Å; M92-H119 HydrophobicContact CE-CB 4.18Å; M92-L122 HydrophobicContact CE-CB 3.89Å; M92-L122 HydrophobicContact CE-CD1 3.4Å; M92-L122 HydrophobicContact CE-CG 4.28Å
93I91.1Very high91Very high60 Ų6033 Ų3331%0.30818%0.179SC..Hα-helixtrans-58.1-46.2176.7-68.8167.5000110.8V89 K90 G95 A96 A97 L122 V126V89-I93 HydrophobicContact CG1-CD1 3.97Å; V89-I93 HydrophobicContact CG1-CG1 4.3Å; V89-I93 WeakPolarHBondContact O-CG1 3.35Å; V89-I93 PolarHBondContact O-N 3.26Å; K90-I93 PolarHBondContact O-N 2.81Å; I93-G95 VanDerWaalsContact C-N 3.35Å; I93-G95 PolarHBondContact O-N 3.46Å; I93-A96 PolarHBondContact O-N 3.23Å; I93-A97 PolarHBondContact O-N 2.63Å; I93-L122 HydrophobicContact CD1-CD1 4.12Å; I93-L122 HydrophobicContact CD1-CD2 4.07Å; I93-L122 HydrophobicContact CG1-CD1 3.94Å; I93-L122 HydrophobicContact CG1-CD2 4.22Å; I93-L122 HydrophobicContact CG1-CG 4.47Å; I93-V126 HydrophobicContact CG2-CG1 3.92Å
94T90.9Very high91.4Very high57 Ų5733 Ų3335%0.3518%0.179SC..Hα-helixtrans-63.5-39.9178.6-50.60000112K90 N91 M92 Q98 E216K90-T94 PolarHBondContact O-N 3.13Å; K90-T94 VanDerWaalsContact O-N 3.17Å; K90-T94 PolarHBondContact O-OG1 3.39Å; N91-T94 PolarHBondContact O-N 2.83Å; M92-T94 VanDerWaalsContact C-N 3.34Å; M92-T94 PolarHBondContact O-N 3.47Å; T94-Q98 PolarHBondContact O-NE2 2.76Å; T94-E216 HydrophobicContact CG2-CB 4.05Å; T94-E216 HydrophobicContact CG2-CG 3.72Å
95G89.6Confident91.9Very high0 Ų032.8 Ų32.80%018%0.177CC..Hα-helixtrans-68.3-45.4175.100000112.7N91 M92 I93 A97 Q98N91-G95 PolarHBondContact O-N 2.85Å; M92-G95 PolarHBondContact O-N 2.82Å; I93-G95 VanDerWaalsContact C-N 3.35Å; I93-G95 PolarHBondContact O-N 3.46Å; G95-A97 VanDerWaalsContact C-N 3.3Å; G95-A97 PolarHBondContact O-N 3.23Å; G95-Q98 WeakPolarHBondContact O-CB 3.44Å; G95-Q98 PolarHBondContact O-N 3.02Å
96A91.5Very high92.4Very high0 Ų030 Ų300%016%0.164CC..Hα-helixtrans-62.9-33.7-179.100000112.8M92 I93 Q98 M99 V126 V128M92-A96 VanDerWaalsContact O-CB 3.26Å; M92-A96 WeakPolarHBondContact O-CB 3.49Å; M92-A96 PolarHBondContact O-N 3.19Å; M92-A96 HydrophobicContact SD-CB 4.03Å; I93-A96 PolarHBondContact O-N 3.23Å; A96-Q98 PolarHBondContact O-N 2.92Å; A96-M99 HydrophobicContact CB-SD 4.49Å; A96-M99 PolarHBondContact O-N 3.09Å; A96-V126 HydrophobicContact CB-CG2 3.74Å; A96-V128 HydrophobicContact CB-CG2 4.39Å; A96-V128 VanDerWaalsContact O-CG2 3.27Å; A96-V128 WeakPolarHBondContact O-CG2 3.34Å
97A91.1Very high92.9Very high44 Ų4427.8 Ų27.836%0.36415%0.146SC..THydrogen-bonded Turntrans-60.3-16.5175.200000113.7I93 G95 V126 R231I93-A97 PolarHBondContact O-N 2.63Å; G95-A97 VanDerWaalsContact C-N 3.3Å; G95-A97 PolarHBondContact O-N 3.23Å; A97-V126 HydrophobicContact CB-CB 4.26Å; A97-R231 PolarHBondContact O-NH2 3.3Å
98Q88.8Confident93.3Very high18 Ų1822.2 Ų22.28%0.08412%0.116CC..THydrogen-bonded Turntrans-96.1-9178.6-57.7-179.35700113.4N14 T94 G95 A96 E216 R231N14-Q98 WeakPolarHBondContact CB-O 3.42Å; T94-Q98 PolarHBondContact O-NE2 2.76Å; G95-Q98 WeakPolarHBondContact O-CB 3.44Å; G95-Q98 PolarHBondContact O-N 3.02Å; A96-Q98 PolarHBondContact O-N 2.92Å; Q98-E216 PolarHBondContact NE2-OE1 2.72Å; Q98-E216 PolarHBondContact NE2-OE2 2.85Å; Q98-E216 PolarHBondContact OE1-OE2 2.97Å; Q98-R231 HydrophobicContact CB-CB 4.24Å; Q98-R231 HydrophobicContact CG-CB 4.12Å; Q98-R231 VanDerWaalsContact O-CD 3.29Å; Q98-R231 WeakPolarHBondContact O-CD 3.34Å; Q98-R231 PolarHBondContact O-NH1 3.33Å
99M94.4Very high93.6Very high3 Ų322.9 Ų22.92%0.01513%0.128CC..  trans-81.9130.9-173.9-60.5179.4-169.600111I18 V80 C82 A96 G101 A102 V128I18-M99 HydrophobicContact CG2-CE 4.02Å; I18-M99 HydrophobicContact CG2-SD 4.18Å; V80-M99 HydrophobicContact CB-CE 4.19Å; C82-M99 WeakPolarHBondContact SG-CE 3.37Å; A96-M99 HydrophobicContact CB-SD 4.49Å; A96-M99 PolarHBondContact O-N 3.09Å; M99-G101 VanDerWaalsContact C-N 3.35Å; M99-A102 HydrophobicContact SD-CB 3.76Å; M99-V128 HydrophobicContact CB-CG1 4.37Å; M99-V128 HydrophobicContact CB-CG2 4.05Å
100D95.5Very high93.9Very high13 Ų1326.2 Ų26.27%0.0715%0.146CC..SBendtrans-85.2-16.2164.4-54.4-66.9000111.1V13 N14 P129 P203 R205 R231V13-D100 HydrophobicContact CG1-CB 3.92Å; N14-D100 WeakPolarHBondContact CB-OD2 3.33Å; N14-D100 PolarHBondContact N-OD2 3.43Å; N14-D100 PolarHBondContact ND2-OD2 2.83Å; N14-D100 WeakPolarHBondContact O-CB 3.49Å; N14-D100 PolarHBondContact O-N 2.89Å; D100-P129 VanDerWaalsContact O-CD 3.24Å; D100-P129 WeakPolarHBondContact O-CD 3.47Å; D100-P129 VanDerWaalsContact O-CG 3.22Å; D100-P129 WeakPolarHBondContact O-CG 3.49Å; D100-P203 HydrophobicContact CB-CB 4.5Å; D100-P203 HydrophobicContact CB-CG 4.17Å; D100-R205 VanDerWaalsContact CG-NH2 3.32Å; D100-R205 IonicContact OD1-CZ 2.71Å; D100-R205 IonicContact OD1-NH1 3.38Å; D100-R205 PolarHBondContact OD1-NH1 3.38Å; D100-R205 IonicContact OD1-NH2 3.67Å; D100-R205 PolarHBondContact OD1-NH2 2.99Å; D100-R205 IonicContact OD2-CZ 3.84Å; D100-R205 IonicContact OD2-NH1 3.16Å; D100-R205 IonicContact OD2-NH2 3.83Å; D100-R205 PolarHBondContact OD2-NH2 3.45Å; D100-R231 IonicContact OD1-NH1 3.41Å; D100-R231 PolarHBondContact OD1-NH1 3.32Å
101G97.1Very high94.1Very high0 Ų018.3 Ų18.30%011%0.112CC..EExtended strand (participates in β ladder)trans-164155.1165.400000110.5N14 I15 M99 Y130N14-G101 PolarHBondContact O-N 3Å; I15-G101 WeakPolarHBondContact CA-O 3.46Å; M99-G101 VanDerWaalsContact C-N 3.35Å; G101-Y130 CarbonylContact C-O 3.46Å; G101-Y130 WeakPolarHBondContact CA-O 3.35Å
102A98Very high94.4Very high0 Ų016.9 Ų16.90%011%0.105CC..EExtended strand (participates in β ladder)trans-117.4152-17900000111.9G16 I18 M99 V128 Y130 I131 V132G16-A102 CarbonylContact O-C 3.53Å; G16-A102 WeakPolarHBondContact O-CA 3.39Å; I18-A102 HydrophobicContact CD1-CB 3.71Å; I18-A102 HydrophobicContact CG1-CB 4.03Å; I18-A102 HydrophobicContact CG2-CB 4.44Å; M99-A102 HydrophobicContact SD-CB 3.76Å; A102-V128 HydrophobicContact CB-CG1 3.99Å; A102-Y130 PolarHBondContact N-O 3.36Å; A102-I131 HydrophobicContact CB-CG1 4.38Å; A102-I131 CarbonylContact O-C 3.54Å; A102-I131 VanDerWaalsContact O-CA 3.3Å; A102-I131 WeakPolarHBondContact O-CA 3.39Å; A102-V132 PolarHBondContact O-N 3.37Å
103I98.4Very high94.7Very high0 Ų020.1 Ų20.10%012%0.121CC..EExtended strand (participates in β ladder)trans-101.6107.8169-58.9172.9000107I15 G16 T17 I18 L28 I32 V105 V132 F134 L192 V196I15-I103 HydrophobicContact CD1-CD1 4.42Å; G16-I103 PolarHBondContact O-N 3.46Å; T17-I103 WeakPolarHBondContact CA-O 3.36Å; T17-I103 HydrophobicContact CG2-CB 4.26Å; T17-I103 HydrophobicContact CG2-CG2 4.48Å; I18-I103 PolarHBondContact N-O 2.89Å; L28-I103 HydrophobicContact CD2-CG2 3.92Å; I32-I103 HydrophobicContact CD1-CD1 4.29Å; I103-V105 HydrophobicContact CG2-CG2 4.27Å; I103-V105 PolarHBondContact O-N 2.79Å; I103-V132 CarbonylContact C-O 3.52Å; I103-V132 VanDerWaalsContact CA-O 3.29Å; I103-V132 WeakPolarHBondContact CA-O 3.24Å; I103-F134 HydrophobicContact CG2-CB 4.12Å; I103-L192 HydrophobicContact CD1-CD2 4.44Å; I103-L192 HydrophobicContact CG2-CD1 4.36Å; I103-L192 HydrophobicContact CG2-CD2 4.42Å; I103-V196 HydrophobicContact CD1-CG2 4.18Å; I103-V196 HydrophobicContact CG1-CG2 4.22Å
104L98.4Very high94.9Very high0 Ų021.3 Ų21.30%013%0.133CC..EExtended strand (participates in β ladder)trans-81.3112.8174.4-179.868.7000109.6I18 V106 T116 I120 I131 V132 V133 F134 V154 L158I18-L104 HydrophobicContact CD1-CD1 4.21Å; I18-L104 HydrophobicContact CG1-CB 4.29Å; I18-L104 HydrophobicContact CG1-CD1 3.92Å; L104-V106 HydrophobicContact CD2-CG2 4.11Å; L104-V106 HydrophobicContact CG-CG2 3.94Å; L104-T116 HydrophobicContact CD1-CG2 4.06Å; L104-T116 HydrophobicContact CD2-CG2 4.18Å; L104-T116 HydrophobicContact CG-CG2 4.48Å; L104-I120 HydrophobicContact CD1-CG1 4.22Å; L104-I120 HydrophobicContact CD2-CD1 3.74Å; L104-I120 HydrophobicContact CD2-CG1 3.95Å; L104-I131 HydrophobicContact CB-CG2 3.61Å; L104-V132 PolarHBondContact N-O 2.75Å; L104-V133 HydrophobicContact CB-CG2 4.37Å; L104-V133 HydrophobicContact CD2-CG2 4.28Å; L104-V133 WeakPolarHBondContact O-CA 3.32Å; L104-F134 PolarHBondContact O-N 3.21Å; L104-V154 HydrophobicContact CD2-CG1 4.09Å; L104-L158 HydrophobicContact CD2-CD2 4.45Å
105V98.4Very high95.1Very high0 Ų019.9 Ų19.90%012%0.122CC..EExtended strand (participates in β ladder)trans-95118.3179.3-170.10000109.8T17 I18 H23 K25 L28 I103 N136T17-V105 HydrophobicContact CG2-CG2 3.94Å; I18-V105 PolarHBondContact O-N 2.98Å; H23-V105 HydrophobicContact CB-CG1 4.34Å; H23-V105 PolarHBondContact ND1-O 3.02Å; H23-V105 VanDerWaalsContact O-CG1 3.26Å; H23-V105 WeakPolarHBondContact O-CG1 3.37Å; K25-V105 HydrophobicContact CG-CB 3.94Å; K25-V105 HydrophobicContact CG-CG2 3.94Å; L28-V105 HydrophobicContact CD2-CG2 3.57Å; I103-V105 HydrophobicContact CG2-CG2 4.27Å; I103-V105 PolarHBondContact O-N 2.79Å; V105-N136 HydrophobicContact CG1-CB 3.91Å
106V98.1Very high95.4Very high0 Ų019.9 Ų19.90%012%0.122CC..EExtended strand (participates in β ladder)trans-122.6129.1178.3-173.90000109H23 L104 A108 G111 T116 F134 L135 N136 V150 V154H23-V106 WeakPolarHBondContact ND1-CA 3.49Å; L104-V106 HydrophobicContact CD2-CG2 4.11Å; L104-V106 HydrophobicContact CG-CG2 3.94Å; V106-A108 PolarHBondContact O-N 2.71Å; V106-G111 WeakPolarHBondContact CG1-O 3.44Å; V106-T116 HydrophobicContact CG2-CG2 3.97Å; V106-F134 PolarHBondContact N-O 2.86Å; V106-L135 HydrophobicContact CB-CD2 3.96Å; V106-L135 HydrophobicContact CG1-CD2 4.38Å; V106-L135 CarbonylContact O-C 3.56Å; V106-L135 WeakPolarHBondContact O-CA 3.31Å; V106-N136 PolarHBondContact O-N 3.16Å; V106-V150 HydrophobicContact CG1-CG1 4.36Å; V106-V154 HydrophobicContact CB-CG2 4.27Å; V106-V154 HydrophobicContact CG1-CG2 4Å; V106-V154 HydrophobicContact CG2-CG2 3.93Å
107S97.3Very high95.6Very high0 Ų025.3 Ų25.30%014%0.143CC..EExtended strand (participates in β ladder)trans-71.6121.5173.41750000109.3H23 A109 D110 G111 K137H23-S107 PolarHBondContact ND1-N 3.25Å; S107-A109 PolarHBondContact O-N 3.48Å; S107-D110 WeakPolarHBondContact CB-OD2 3.4Å; S107-D110 PolarHBondContact O-N 3.41Å; S107-D110 VanDerWaalsContact O-N 3.17Å; S107-D110 PolarHBondContact OG-OD2 2.78Å; S107-G111 PolarHBondContact O-N 2.95Å; S107-K137 WeakPolarHBondContact OG-CD 2.98Å
108A95.3Very high95.8Very high0 Ų026.8 Ų26.80%014%0.142CC..THydrogen-bonded Turntrans-61.7-25.5176.500000112.3V106 N136 M138 V141 L147V106-A108 PolarHBondContact O-N 2.71Å; A108-N136 WeakPolarHBondContact CB-O 3.46Å; A108-N136 PolarHBondContact N-O 2.98Å; A108-M138 HydrophobicContact CB-SD 3.69Å; A108-V141 HydrophobicContact CB-CG2 3.86Å; A108-L147 HydrophobicContact CB-CD1 4.27Å
109A93.4Very high96.2Very high47 Ų4725.9 Ų25.939%0.38814%0.138SC..THydrogen-bonded Turntrans-78.9-26.9177.800000113.7S107 M140 V141S107-A109 PolarHBondContact O-N 3.48Å; A109-M140 HydrophobicContact CB-CB 4.45Å; A109-V141 HydrophobicContact CB-CG2 4.02Å
110D94.6Very high96.3Very high90 Ų9025.8 Ų25.848%0.48114%0.137SC..THydrogen-bonded Turntrans-106.6-28.4-173.9-54.2-60000112.7S107 K137S107-D110 WeakPolarHBondContact CB-OD2 3.4Å; S107-D110 PolarHBondContact O-N 3.41Å; S107-D110 VanDerWaalsContact O-N 3.17Å; S107-D110 PolarHBondContact OG-OD2 2.78Å; D110-K137 IonicContact OD2-NZ 2.7Å
111G94.7Very high96.3Very high2 Ų228.4 Ų28.42%0.02115%0.151CC..  trans72.8-166.4-173.500000113.8H23 V106 S107 M113H23-G111 PolarHBondContact CE1-O 2.89Å; H23-G111 VanDerWaalsContact CE1-O 3.29Å; V106-G111 WeakPolarHBondContact CG1-O 3.44Å; S107-G111 PolarHBondContact O-N 2.95Å; G111-M113 PolarHBondContact O-N 2.93Å
112P95.9Very high96.2Very high20 Ų2029.9 Ų29.913%0.1316%0.159CC..SBendtrans-66.6122176.6-20.634000112.5T116 E153 V154 L157P112-T116 HydrophobicContact CB-CG2 4.3Å; P112-E153 WeakPolarHBondContact CD-OE2 3.41Å; P112-E153 HydrophobicContact CG-CB 3.83Å; P112-V154 HydrophobicContact CG-CG2 3.74Å; P112-L157 HydrophobicContact CB-CD2 4.17Å
113M96.3Very high96.1Very high68 Ų6829.9 Ų29.934%0.33516%0.159SC..  trans-107.5170.9179.6-69.4-64.2-81.700111H20 G111 Q115 T116 R117H20-M113 HydrophobicContact CB-CB 3.87Å; H20-M113 WeakPolarHBondContact ND1-CB 3.48Å; G111-M113 PolarHBondContact O-N 2.93Å; M113-Q115 VanDerWaalsContact C-N 3.3Å; M113-Q115 PolarHBondContact O-N 3.24Å; M113-T116 PolarHBondContact N-OG1 2.76Å; M113-T116 WeakPolarHBondContact O-CA 3.43Å; M113-T116 WeakPolarHBondContact O-CB 3.38Å; M113-T116 PolarHBondContact O-N 2.92Å; M113-T116 PolarHBondContact O-OG1 2.88Å; M113-R117 PolarHBondContact O-N 3.12Å
114P95.3Very high95.9Very high85 Ų8535 Ų3555%0.55218%0.178SC*.Hα-helixtrans-52.8-42.8-174.7-29.836.7000114.3T116 R117 E118P114-T116 VanDerWaalsContact C-N 3.32Å; P114-T116 PolarHBondContact O-N 2.91Å; P114-R117 WeakPolarHBondContact O-CB 3.43Å; P114-R117 PolarHBondContact O-N 3.25Å; P114-E118 PolarHBondContact O-N 3.05Å
115Q95.2Very high95.7Very high28 Ų2840.6 Ų40.613%0.13121%0.208CC..Hα-helixtrans-73.1-22.3177.9-7077.8-5.600112.7H20 G84 M113 R117 E118 H119H20-Q115 HydrophobicContact CB-CB 4.25Å; H20-Q115 PolarHBondContact CE1-OE1 3.33Å; H20-Q115 PolarHBondContact ND1-OE1 2.87Å; G84-Q115 WeakPolarHBondContact O-CG 3.45Å; M113-Q115 VanDerWaalsContact C-N 3.3Å; M113-Q115 PolarHBondContact O-N 3.24Å; Q115-R117 VanDerWaalsContact C-N 3.32Å; Q115-E118 PolarHBondContact O-N 2.71Å; Q115-H119 WeakPolarHBondContact O-CB 3.45Å; Q115-H119 PolarHBondContact O-CD2 3.01Å; Q115-H119 PolarHBondContact O-N 3.32Å
116T96.5Very high95.4Very high0 Ų042.7 Ų42.70%022%0.221CC..Hα-helixtrans-59.6-47.4168.3-52.30000109.7L104 V106 P112 M113 P114 I120 L157L104-T116 HydrophobicContact CD1-CG2 4.06Å; L104-T116 HydrophobicContact CD2-CG2 4.18Å; L104-T116 HydrophobicContact CG-CG2 4.48Å; V106-T116 HydrophobicContact CG2-CG2 3.97Å; P112-T116 HydrophobicContact CB-CG2 4.3Å; M113-T116 PolarHBondContact N-OG1 2.76Å; M113-T116 WeakPolarHBondContact O-CA 3.43Å; M113-T116 WeakPolarHBondContact O-CB 3.38Å; M113-T116 PolarHBondContact O-N 2.92Å; M113-T116 PolarHBondContact O-OG1 2.88Å; P114-T116 VanDerWaalsContact C-N 3.32Å; P114-T116 PolarHBondContact O-N 2.91Å; T116-I120 HydrophobicContact CG2-CD1 4.34Å; T116-I120 WeakPolarHBondContact O-CD1 3.48Å; T116-I120 VanDerWaalsContact O-CG1 3.31Å; T116-I120 WeakPolarHBondContact O-CG1 3.07Å; T116-I120 PolarHBondContact O-N 2.97Å; T116-L157 HydrophobicContact CG2-CD2 4.01Å
117R95.7Very high95.2Very high113 Ų11345.2 Ų45.243%0.42625%0.246SC..Hα-helixtrans-63.6-48.9176.7-48.7-160.2173.4-130.2-2.8111.8M113 P114 Q115 H119 I120 L121 L157 E160 Y161M113-R117 PolarHBondContact O-N 3.12Å; P114-R117 WeakPolarHBondContact O-CB 3.43Å; P114-R117 PolarHBondContact O-N 3.25Å; Q115-R117 VanDerWaalsContact C-N 3.32Å; R117-H119 VanDerWaalsContact C-N 3.32Å; R117-H119 PolarHBondContact O-N 2.78Å; R117-I120 PolarHBondContact O-N 2.84Å; R117-L121 PolarHBondContact O-N 2.67Å; R117-L121 VanDerWaalsContact O-N 3.09Å; R117-L157 HydrophobicContact CB-CD1 4.03Å; R117-L157 HydrophobicContact CB-CD2 4.29Å; R117-L157 HydrophobicContact CG-CD1 3.6Å; R117-L157 HydrophobicContact CG-CD2 3.73Å; R117-L157 HydrophobicContact CG-CG 4.29Å; R117-E160 IonicContact NH1-OE2 2.86Å; R117-Y161 HydrophobicContact CB-CE2 4.21Å
118E95.3Very high95.1Very high75 Ų7545.2 Ų45.235%0.3525%0.247SC..Hα-helixtrans-60.5-41.7-178.7-171.8174.7-160.100111.9P114 Q115 L121 L122P114-E118 PolarHBondContact O-N 3.05Å; Q115-E118 PolarHBondContact O-N 2.71Å; E118-L121 PolarHBondContact O-N 3.43Å; E118-L122 HydrophobicContact CG-CD1 3.8Å; E118-L122 HydrophobicContact CG-CG 4.36Å; E118-L122 WeakPolarHBondContact O-CB 3.35Å; E118-L122 VanDerWaalsContact O-CG 3.23Å; E118-L122 WeakPolarHBondContact O-CG 3.41Å; E118-L122 PolarHBondContact O-N 2.98Å
119H96.4Very high95Very high0 Ų048.2 Ų48.20%027%0.266CS..Hα-helixtrans-66.5-43179.6-76.3-138.5000112I18 G19 P83 M92 Q115 R117 L121 L122 S123I18-H119 HydrophobicContact CB-CB 4.27Å; I18-H119 HydrophobicContact CD1-CB 4.43Å; G19-H119 PolarHBondContact N-ND1 3.13Å; G19-H119 PolarHBondContact O-CE1 3.28Å; G19-H119 VanDerWaalsContact O-CE1 3.3Å; P83-H119 PolarHBondContact O-CE1 2.94Å; P83-H119 VanDerWaalsContact O-CE1 3.27Å; M92-H119 HydrophobicContact CE-CB 4.18Å; Q115-H119 WeakPolarHBondContact O-CB 3.45Å; Q115-H119 PolarHBondContact O-CD2 3.01Å; Q115-H119 PolarHBondContact O-N 3.32Å; R117-H119 VanDerWaalsContact C-N 3.32Å; R117-H119 PolarHBondContact O-N 2.78Å; H119-L121 PolarHBondContact O-N 3.22Å; H119-L122 PolarHBondContact O-N 3.26Å; H119-S123 VanDerWaalsContact O-CB 3.25Å; H119-S123 WeakPolarHBondContact O-CB 3.3Å; H119-S123 PolarHBondContact O-N 3.14Å; H119-S123 PolarHBondContact O-OG 3.39Å
120I96.6Very high95.2Very high0 Ų050 Ų500%026%0.263CS..Hα-helixtrans-60.8-47.8176.6-63.5161.9000110.3L104 T116 R117 L122 S123 R124 I131 L157 L158 Y161 F163L104-I120 HydrophobicContact CD1-CG1 4.22Å; L104-I120 HydrophobicContact CD2-CD1 3.74Å; L104-I120 HydrophobicContact CD2-CG1 3.95Å; T116-I120 HydrophobicContact CG2-CD1 4.34Å; T116-I120 WeakPolarHBondContact O-CD1 3.48Å; T116-I120 VanDerWaalsContact O-CG1 3.31Å; T116-I120 WeakPolarHBondContact O-CG1 3.07Å; T116-I120 PolarHBondContact O-N 2.97Å; R117-I120 PolarHBondContact O-N 2.84Å; I120-L122 PolarHBondContact O-N 3.08Å; I120-S123 PolarHBondContact O-N 3.39Å; I120-R124 PolarHBondContact O-N 2.95Å; I120-I131 HydrophobicContact CG1-CD1 4.47Å; I120-I131 HydrophobicContact CG2-CD1 4.31Å; I120-L157 HydrophobicContact CD1-CB 4.4Å; I120-L157 HydrophobicContact CD1-CD2 3.51Å; I120-L157 HydrophobicContact CD1-CG 3.66Å; I120-L158 HydrophobicContact CD1-CD2 4.08Å; I120-L158 HydrophobicContact CD1-CG 4.46Å; I120-L158 HydrophobicContact CG1-CD2 4.19Å; I120-L158 HydrophobicContact CG2-CD2 4.1Å; I120-Y161 HydrophobicContact CB-CD2 3.97Å; I120-Y161 HydrophobicContact CG2-CD2 3.65Å; I120-Y161 HydrophobicContact CG2-CG 4.09Å; I120-F163 HydrophobicContact CG2-CD2 3.69Å; I120-F163 HydrophobicContact CG2-CE2 3.84Å
121L95.8Very high95.4Very high68 Ų6845.8 Ų45.836%0.35624%0.241SC..Hα-helixtrans-58.9-45.5177.6174.762.2000112R117 E118 H119 R124 N125 Y161R117-L121 PolarHBondContact O-N 2.67Å; R117-L121 VanDerWaalsContact O-N 3.09Å; E118-L121 PolarHBondContact O-N 3.43Å; H119-L121 PolarHBondContact O-N 3.22Å; L121-R124 WeakPolarHBondContact O-CB 3.29Å; L121-R124 PolarHBondContact O-N 3.36Å; L121-N125 PolarHBondContact O-N 3.18Å; L121-N125 VanDerWaalsContact O-N 3.07Å; L121-N125 PolarHBondContact O-ND2 3.33Å; L121-Y161 HydrophobicContact CB-CD1 4.16Å; L121-Y161 HydrophobicContact CB-CE1 4.11Å; L121-Y161 HydrophobicContact CB-CE2 4.42Å; L121-Y161 HydrophobicContact CB-CG 4.4Å; L121-Y161 HydrophobicContact CD1-CD1 3.86Å; L121-Y161 HydrophobicContact CD1-CE1 4.01Å; L121-Y161 HydrophobicContact CD2-CE1 4.49Å; L121-Y161 HydrophobicContact CG-CE1 4.42Å
122L95.3Very high95.6Very high31 Ų3145.7 Ų45.716%0.16224%0.24CC..Hα-helixtrans-69-41.7-179.9-71.4174000111.8V89 M92 I93 E118 H119 I120 R124 N125 V126V89-L122 HydrophobicContact CG1-CD1 3.48Å; V89-L122 VanDerWaalsContact CG1-CD1 3.48Å; M92-L122 HydrophobicContact CE-CB 3.89Å; M92-L122 HydrophobicContact CE-CD1 3.4Å; M92-L122 HydrophobicContact CE-CG 4.28Å; I93-L122 HydrophobicContact CD1-CD1 4.12Å; I93-L122 HydrophobicContact CD1-CD2 4.07Å; I93-L122 HydrophobicContact CG1-CD1 3.94Å; I93-L122 HydrophobicContact CG1-CD2 4.22Å; I93-L122 HydrophobicContact CG1-CG 4.47Å; E118-L122 HydrophobicContact CG-CD1 3.8Å; E118-L122 HydrophobicContact CG-CG 4.36Å; E118-L122 WeakPolarHBondContact O-CB 3.35Å; E118-L122 VanDerWaalsContact O-CG 3.23Å; E118-L122 WeakPolarHBondContact O-CG 3.41Å; E118-L122 PolarHBondContact O-N 2.98Å; H119-L122 PolarHBondContact O-N 3.26Å; I120-L122 PolarHBondContact O-N 3.08Å; L122-R124 VanDerWaalsContact C-N 3.27Å; L122-R124 PolarHBondContact O-N 3.27Å; L122-N125 PolarHBondContact O-N 3.3Å; L122-N125 VanDerWaalsContact O-N 3.09Å; L122-V126 WeakPolarHBondContact O-CG2 3.43Å; L122-V126 PolarHBondContact O-N 3.03Å
123S95.3Very high95.7Very high0 Ų044.7 Ų44.70%023%0.233CC..Hα-helixtrans-55.3-43.2172.8-72.90000111.4I18 H119 I120 V126 G127 V128I18-S123 VanDerWaalsContact CD1-OG 3.3Å; I18-S123 WeakPolarHBondContact CD1-OG 3.45Å; H119-S123 VanDerWaalsContact O-CB 3.25Å; H119-S123 WeakPolarHBondContact O-CB 3.3Å; H119-S123 PolarHBondContact O-N 3.14Å; H119-S123 PolarHBondContact O-OG 3.39Å; I120-S123 PolarHBondContact O-N 3.39Å; S123-V126 WeakPolarHBondContact O-CG2 3.46Å; S123-G127 PolarHBondContact O-N 3.41Å; S123-V128 WeakPolarHBondContact O-CB 3.31Å; S123-V128 WeakPolarHBondContact O-CG2 3.3Å; S123-V128 PolarHBondContact O-N 3.29Å
124R94.2Very high95.8Very high109 Ų10941.5 Ų41.541%0.41122%0.217SC..Hα-helixtrans-60.8-47.7173.8-176.158.3172.9177.6-6.1112.1I120 L121 L122 V126 G127 F163I120-R124 PolarHBondContact O-N 2.95Å; L121-R124 WeakPolarHBondContact O-CB 3.29Å; L121-R124 PolarHBondContact O-N 3.36Å; L122-R124 VanDerWaalsContact C-N 3.27Å; L122-R124 PolarHBondContact O-N 3.27Å; R124-V126 VanDerWaalsContact C-N 3.34Å; R124-V126 PolarHBondContact O-N 3.26Å; R124-G127 PolarHBondContact O-N 3.44Å; R124-G127 VanDerWaalsContact O-N 3.15Å; R124-F163 HydrophobicContact CB-CE2 3.85Å; R124-F163 HydrophobicContact CB-CZ 4.24Å
125N93.9Very high95.9Very high116 Ų11637.4 Ų37.462%0.6219%0.191SC*.Hα-helixtrans-66.9-31.4-177-73.5-27000113.8L121 L122 G127L121-N125 PolarHBondContact O-N 3.18Å; L121-N125 VanDerWaalsContact O-N 3.07Å; L121-N125 PolarHBondContact O-ND2 3.33Å; L122-N125 PolarHBondContact O-N 3.3Å; L122-N125 VanDerWaalsContact O-N 3.09Å; N125-G127 VanDerWaalsContact C-N 3.31Å
126V93.2Very high96Very high45 Ų4536.3 Ų36.327%0.27319%0.186SC..THydrogen-bonded Turntrans-87.4-0.3175.5-55.20000113.3I93 A96 A97 L122 S123 R124 V128I93-V126 HydrophobicContact CG2-CG1 3.92Å; A96-V126 HydrophobicContact CB-CG2 3.74Å; A97-V126 HydrophobicContact CB-CB 4.26Å; L122-V126 WeakPolarHBondContact O-CG2 3.43Å; L122-V126 PolarHBondContact O-N 3.03Å; S123-V126 WeakPolarHBondContact O-CG2 3.46Å; R124-V126 VanDerWaalsContact C-N 3.34Å; R124-V126 PolarHBondContact O-N 3.26Å; V126-V128 HydrophobicContact CG2-CG2 3.94Å
127G92.9Very high96Very high52 Ų5238.8 Ų38.854%0.53620%0.197SC..THydrogen-bonded Turntrans8922.317200000115.4S123 R124 N125 P129S123-G127 PolarHBondContact O-N 3.41Å; R124-G127 PolarHBondContact O-N 3.44Å; R124-G127 VanDerWaalsContact O-N 3.15Å; N125-G127 VanDerWaalsContact C-N 3.31Å; G127-P129 VanDerWaalsContact O-CD 3.22Å; G127-P129 WeakPolarHBondContact O-CD 3.4Å
128V95.5Very high96Very high1 Ų135.1 Ų35.11%0.00619%0.185CC..  trans-65.3117.1168.9-176.40000108.5A96 M99 A102 S123 V126 Y130 F163A96-V128 HydrophobicContact CB-CG2 4.39Å; A96-V128 VanDerWaalsContact O-CG2 3.27Å; A96-V128 WeakPolarHBondContact O-CG2 3.34Å; M99-V128 HydrophobicContact CB-CG1 4.37Å; M99-V128 HydrophobicContact CB-CG2 4.05Å; A102-V128 HydrophobicContact CB-CG1 3.99Å; S123-V128 WeakPolarHBondContact O-CB 3.31Å; S123-V128 WeakPolarHBondContact O-CG2 3.3Å; S123-V128 PolarHBondContact O-N 3.29Å; V126-V128 HydrophobicContact CG2-CG2 3.94Å; V128-Y130 WeakPolarHBondContact CG1-O 3.32Å; V128-F163 WeakPolarHBondContact O-CE1 3.47Å; V128-F163 WeakPolarHBondContact O-CZ 3.18Å
129P94Very high95.9Very high62 Ų6233.8 Ų33.840%0.40318%0.18SC..  trans-86.4-24-170.926.9-24.6000114D100 G127D100-P129 VanDerWaalsContact O-CD 3.24Å; D100-P129 WeakPolarHBondContact O-CD 3.47Å; D100-P129 VanDerWaalsContact O-CG 3.22Å; D100-P129 WeakPolarHBondContact O-CG 3.49Å; G127-P129 VanDerWaalsContact O-CD 3.22Å; G127-P129 WeakPolarHBondContact O-CD 3.4Å
130Y97.1Very high95.7Very high85 Ų8540.1 Ų40.133%0.33321%0.212SC..  trans-136.4143.1-175.8-62.8-85.7000111.5G101 A102 V128 Y199 P201G101-Y130 CarbonylContact C-O 3.46Å; G101-Y130 WeakPolarHBondContact CA-O 3.35Å; A102-Y130 PolarHBondContact N-O 3.36Å; V128-Y130 WeakPolarHBondContact CG1-O 3.32Å; Y130-Y199 HydrophobicContact CD1-CD1 4.35Å; Y130-Y199 HydrophobicContact CD1-CE1 4.03Å; Y130-P201 VanDerWaalsContact CD2-CD 3.49Å; Y130-P201 HydrophobicContact CD2-CG 4.1Å; Y130-P201 HydrophobicContact CE2-CG 3.39Å
131I98Very high95.4Very high1 Ų140.9 Ų40.91%0.00522%0.216CC..EExtended strand (participates in β ladder)trans-125.5136.7172.2-65.6179.7000108I18 A102 L104 I120 V133 L158 F163 T168 Y199I18-I131 HydrophobicContact CD1-CD1 4.35Å; A102-I131 HydrophobicContact CB-CG1 4.38Å; A102-I131 CarbonylContact O-C 3.54Å; A102-I131 VanDerWaalsContact O-CA 3.3Å; A102-I131 WeakPolarHBondContact O-CA 3.39Å; L104-I131 HydrophobicContact CB-CG2 3.61Å; I120-I131 HydrophobicContact CG1-CD1 4.47Å; I120-I131 HydrophobicContact CG2-CD1 4.31Å; I131-V133 HydrophobicContact CG2-CG2 4.49Å; I131-L158 HydrophobicContact CB-CD2 4.23Å; I131-L158 HydrophobicContact CD1-CD2 3.91Å; I131-L158 HydrophobicContact CG2-CD2 4.04Å; I131-F163 HydrophobicContact CD1-CD1 4.15Å; I131-F163 HydrophobicContact CD1-CD2 3.88Å; I131-F163 HydrophobicContact CD1-CE1 3.88Å; I131-F163 HydrophobicContact CD1-CE2 3.56Å; I131-F163 HydrophobicContact CD1-CG 4.16Å; I131-F163 HydrophobicContact CD1-CZ 3.57Å; I131-F163 HydrophobicContact CG1-CD1 4.11Å; I131-F163 HydrophobicContact CG1-CE1 3.8Å; I131-F163 HydrophobicContact CG1-CE2 4.4Å; I131-F163 HydrophobicContact CG1-CZ 3.95Å; I131-T168 WeakPolarHBondContact O-CG2 3.5Å; I131-Y199 WeakPolarHBondContact O-CE1 3.49Å
132V98.3Very high95.1Very high0 Ų045.6 Ų45.60%024%0.242CC..EExtended strand (participates in β ladder)trans-111.2141.2164.8174.20000107.3A102 I103 L104 P169 L192 V196 Y199 I200A102-V132 PolarHBondContact O-N 3.37Å; I103-V132 CarbonylContact C-O 3.52Å; I103-V132 VanDerWaalsContact CA-O 3.29Å; I103-V132 WeakPolarHBondContact CA-O 3.24Å; L104-V132 PolarHBondContact N-O 2.75Å; V132-P169 HydrophobicContact CG1-CB 4.32Å; V132-L192 HydrophobicContact CG1-CD1 3.67Å; V132-V196 HydrophobicContact CB-CG2 4.29Å; V132-V196 HydrophobicContact CG1-CG2 4.32Å; V132-V196 HydrophobicContact CG2-CG2 4.14Å; V132-Y199 HydrophobicContact CG2-CD1 3.89Å; V132-I200 HydrophobicContact CG2-CD1 4.08Å; V132-I200 HydrophobicContact CG2-CG1 4.27Å
133V98.4Very high94.8Very high0 Ų048.2 Ų48.20%026%0.256CS..EExtended strand (participates in β ladder)trans-103.2136-178.2178.70000110.3L104 I131 L135 V154 L158 T168 P169 V170 I171L104-V133 HydrophobicContact CB-CG2 4.37Å; L104-V133 HydrophobicContact CD2-CG2 4.28Å; L104-V133 WeakPolarHBondContact O-CA 3.32Å; I131-V133 HydrophobicContact CG2-CG2 4.49Å; V133-L135 HydrophobicContact CG1-CD2 3.99Å; V133-L135 HydrophobicContact CG1-CG 4.33Å; V133-V154 HydrophobicContact CG1-CG1 3.93Å; V133-V154 HydrophobicContact CG2-CG1 3.83Å; V133-L158 HydrophobicContact CG2-CD1 3.75Å; V133-T168 HydrophobicContact CG2-CG2 3.87Å; V133-P169 PolarHBondContact N-O 3.34Å; V133-V170 HydrophobicContact CB-CB 4.39Å; V133-V170 HydrophobicContact CB-CG1 4.31Å; V133-V170 HydrophobicContact CB-CG2 3.98Å; V133-V170 HydrophobicContact CG1-CG1 4.07Å; V133-V170 HydrophobicContact CG1-CG2 4.4Å; V133-V170 HydrophobicContact CG2-CG2 4.36Å; V133-I171 PolarHBondContact O-N 3.23Å
134F98.5Very high94.5Very high0 Ų055.9 Ų55.90%029%0.292CS..EExtended strand (participates in β ladder)trans-116.5109.6166.8-170.8-105.3000110L28 I103 L104 V106 N136 I171 A175 I189 L192L28-F134 HydrophobicContact CD1-CD1 3.84Å; L28-F134 HydrophobicContact CD1-CE1 3.68Å; L28-F134 HydrophobicContact CD1-CE2 4.4Å; L28-F134 HydrophobicContact CD1-CG 4.27Å; L28-F134 HydrophobicContact CD1-CZ 3.97Å; L28-F134 HydrophobicContact CD2-CB 3.98Å; L28-F134 HydrophobicContact CD2-CD1 3.65Å; L28-F134 HydrophobicContact CD2-CE1 4.33Å; L28-F134 HydrophobicContact CD2-CG 3.89Å; L28-F134 HydrophobicContact CG-CD1 4.3Å; I103-F134 HydrophobicContact CG2-CB 4.12Å; L104-F134 PolarHBondContact O-N 3.21Å; V106-F134 PolarHBondContact N-O 2.86Å; F134-N136 HydrophobicContact CD1-CB 3.78Å; F134-N136 HydrophobicContact CE1-CB 3.8Å; F134-N136 WeakPolarHBondContact CE1-OD1 3.34Å; F134-N136 PolarHBondContact O-N 3.46Å; F134-I171 CarbonylContact C-O 3.48Å; F134-I171 VanDerWaalsContact CA-O 3.32Å; F134-I171 WeakPolarHBondContact CA-O 3.44Å; F134-I171 HydrophobicContact CD2-CB 4.15Å; F134-I171 HydrophobicContact CD2-CG2 4.24Å; F134-I171 WeakPolarHBondContact CD2-O 3.26Å; F134-I171 HydrophobicContact CE2-CG2 4.25Å; F134-A175 HydrophobicContact CE1-CB 4.29Å; F134-I189 HydrophobicContact CE2-CD1 4.27Å; F134-I189 HydrophobicContact CZ-CD1 4Å; F134-L192 HydrophobicContact CB-CD1 4.34Å; F134-L192 HydrophobicContact CB-CD2 4.36Å; F134-L192 HydrophobicContact CD2-CB 4.38Å; F134-L192 HydrophobicContact CD2-CD1 4.25Å; F134-L192 HydrophobicContact CD2-CD2 3.79Å; F134-L192 HydrophobicContact CD2-CG 4.37Å; F134-L192 HydrophobicContact CE2-CD2 4.34Å; F134-L192 HydrophobicContact CG-CD2 4.17Å
135L97.8Very high94.4Very high0 Ų058 Ų580%031%0.306CS..EExtended strand (participates in β ladder)trans-79.398.1170.7-62-177.4000108.2V106 V133 L147 V150 E151 V154 V170 I171 A172 G173V106-L135 HydrophobicContact CB-CD2 3.96Å; V106-L135 HydrophobicContact CG1-CD2 4.38Å; V106-L135 CarbonylContact O-C 3.56Å; V106-L135 WeakPolarHBondContact O-CA 3.31Å; V133-L135 HydrophobicContact CG1-CD2 3.99Å; V133-L135 HydrophobicContact CG1-CG 4.33Å; L135-L147 HydrophobicContact CD1-CD1 3.69Å; L135-V150 HydrophobicContact CD2-CG1 4.04Å; L135-E151 HydrophobicContact CD1-CB 4.06Å; L135-V154 HydrophobicContact CD2-CG2 4.33Å; L135-V170 HydrophobicContact CD1-CG1 3.56Å; L135-V170 HydrophobicContact CD2-CG1 4.44Å; L135-V170 HydrophobicContact CG-CG1 3.61Å; L135-I171 PolarHBondContact N-O 2.94Å; L135-A172 HydrophobicContact CB-CB 4.2Å; L135-A172 WeakPolarHBondContact O-CA 3.44Å; L135-G173 PolarHBondContact O-N 2.8Å; L135-G173 VanDerWaalsContact O-O 3.12Å
136N98.1Very high94.3Very high4 Ų455.5 Ų55.52%0.02129%0.293CS..EExtended strand (participates in β ladder)trans-87.4170.3-174.9-162.714.9000112.1H23 V105 V106 A108 F134 M138 G173 A175H23-N136 PolarHBondContact O-ND2 3.38Å; V105-N136 HydrophobicContact CG1-CB 3.91Å; V106-N136 PolarHBondContact O-N 3.16Å; A108-N136 WeakPolarHBondContact CB-O 3.46Å; A108-N136 PolarHBondContact N-O 2.98Å; F134-N136 HydrophobicContact CD1-CB 3.78Å; F134-N136 HydrophobicContact CE1-CB 3.8Å; F134-N136 WeakPolarHBondContact CE1-OD1 3.34Å; F134-N136 PolarHBondContact O-N 3.46Å; N136-M138 VanDerWaalsContact C-N 3.27Å; N136-M138 PolarHBondContact O-N 3.38Å; N136-G173 CarbonylContact C-O 3.34Å; N136-G173 WeakPolarHBondContact CA-O 3.44Å; N136-A175 WeakPolarHBondContact OD1-CB 3.32Å; N136-A175 PolarHBondContact OD1-N 2.82Å
137K96.4Very high94.2Very high53 Ų5355.1 Ų55.123%0.2329%0.289CS..  trans60.333.5178.2-47.5-169.8-164.4166.40113.5D22 S107 D110 D139 M140 G173D22-K137 WeakPolarHBondContact O-CE 3.49Å; D22-K137 PolarHBondContact O-NZ 3.42Å; S107-K137 WeakPolarHBondContact OG-CD 2.98Å; D110-K137 IonicContact OD2-NZ 2.7Å; K137-D139 WeakPolarHBondContact CA-OD1 3.39Å; K137-D139 PolarHBondContact O-N 3.22Å; K137-D139 VanDerWaalsContact O-N 3.13Å; K137-M140 HydrophobicContact CB-CB 4.47Å; K137-M140 HydrophobicContact CB-CG 4.28Å; K137-M140 WeakPolarHBondContact O-CB 3.44Å; K137-M140 PolarHBondContact O-N 2.86Å; K137-G173 PolarHBondContact N-O 2.88Å
138M94.7Very high94.2Very high36 Ų3659.3 Ų59.318%0.17729%0.294CS..G310 helixtrans-59.5-19.1172.9-75.1-55.4-57.600113.6A108 N136 M140 V141 L147 A172 G173 Y185A108-M138 HydrophobicContact CB-SD 3.69Å; N136-M138 VanDerWaalsContact C-N 3.27Å; N136-M138 PolarHBondContact O-N 3.38Å; M138-M140 PolarHBondContact O-N 3.43Å; M138-V141 PolarHBondContact O-N 3.07Å; M138-L147 HydrophobicContact CE-CD1 4.01Å; M138-L147 HydrophobicContact CE-CD2 3.67Å; M138-L147 HydrophobicContact CE-CG 4.37Å; M138-L147 HydrophobicContact SD-CD1 3.49Å; M138-L147 WeakPolarHBondContact SD-CD1 3.29Å; M138-L147 HydrophobicContact SD-CD2 4.22Å; M138-L147 HydrophobicContact SD-CG 4.45Å; M138-A172 HydrophobicContact CG-CB 3.89Å; M138-A172 HydrophobicContact SD-CB 3.99Å; M138-G173 WeakPolarHBondContact CB-O 3.31Å; M138-G173 VanDerWaalsContact CG-N 3.31Å; M138-G173 WeakPolarHBondContact CG-O 3.4Å; M138-G173 PolarHBondContact N-O 3.34Å; M138-G173 VanDerWaalsContact N-O 3.09Å; M138-Y185 HydrophobicContact CB-CE1 4.15Å
139D93.3Very high94.2Very high47 Ų4763 Ų6325%0.25131%0.313SS..G310 helixtrans-71-10.1173.360.4-60.8000113.8K137 S174 K177K137-D139 WeakPolarHBondContact CA-OD1 3.39Å; K137-D139 PolarHBondContact O-N 3.22Å; K137-D139 VanDerWaalsContact O-N 3.13Å; D139-S174 VanDerWaalsContact CG-OG 3.23Å; D139-S174 WeakPolarHBondContact OD1-CB 3.42Å; D139-S174 PolarHBondContact OD1-OG 3.49Å; D139-K177 HydrophobicContact CB-CG 3.9Å
140M92.5Very high94.3Very high133 Ų13360.2 Ų60.266%0.65530%0.296SS*.G310 helixtrans-104.8-2.9179.8-61.1-66.5-63.100113.2A109 K137 M138A109-M140 HydrophobicContact CB-CB 4.45Å; K137-M140 HydrophobicContact CB-CB 4.47Å; K137-M140 HydrophobicContact CB-CG 4.28Å; K137-M140 WeakPolarHBondContact O-CB 3.44Å; K137-M140 PolarHBondContact O-N 2.86Å; M138-M140 PolarHBondContact O-N 3.43Å
141V90.1Very high94.2Very high16 Ų1658.9 Ų58.910%0.09729%0.292CS..  trans-122.8114.7-174-178.50000109.7A108 A109 M138 L146A108-V141 HydrophobicContact CB-CG2 3.86Å; A109-V141 HydrophobicContact CB-CG2 4.02Å; M138-V141 PolarHBondContact O-N 3.07Å; V141-L146 HydrophobicContact CG1-CD2 4.13Å
142D89Confident94.2Very high167 Ų16763.6 Ų63.689%0.89332%0.316SS*.  trans-99.1-5176.5-64-34.9000112.9
143D90.4Very high94.1Very high86 Ų8667.7 Ų67.746%0.4634%0.335SS..  trans-104.6110.9-173.5-170.9-7.4000111.5E145 L146 L147D143-E145 VanDerWaalsContact C-N 3.31Å; D143-E145 PolarHBondContact O-N 2.9Å; D143-E145 WeakPolarHBondContact OD1-CB 3.49Å; D143-E145 PolarHBondContact OD1-N 2.83Å; D143-L146 HydrophobicContact CB-CB 4.06Å; D143-L146 PolarHBondContact O-N 3.4Å; D143-L147 PolarHBondContact O-N 3.45Å
144E89.5Confident94Very high161 Ų16167.7 Ų67.775%0.75234%0.335SS*.Hα-helixtrans-64.4-33.2178.3-68.9-178.6177.100112.2L146 L147 E148E144-L146 VanDerWaalsContact C-N 3.32Å; E144-L146 PolarHBondContact O-N 2.86Å; E144-L147 WeakPolarHBondContact O-CB 3.19Å; E144-L147 PolarHBondContact O-N 3.49Å; E144-E148 PolarHBondContact O-N 2.89Å; E144-E148 VanDerWaalsContact O-N 3.13Å
145E90.8Very high94Very high153 Ų15369.8 Ų69.872%0.71534%0.342SS*.Hα-helixtrans-67.1-36.4179.4-65.3-174.2177.800111.1D143 L147 L149D143-E145 VanDerWaalsContact C-N 3.31Å; D143-E145 PolarHBondContact O-N 2.9Å; D143-E145 WeakPolarHBondContact OD1-CB 3.49Å; D143-E145 PolarHBondContact OD1-N 2.83Å; E145-L147 VanDerWaalsContact C-N 3.33Å; E145-L149 WeakPolarHBondContact O-CB 3.39Å; E145-L149 PolarHBondContact O-N 3.42Å; E145-L149 VanDerWaalsContact O-N 3.09Å
146L91.2Very high94Very high64 Ų6474.4 Ų74.434%0.33537%0.367SS..Hα-helixtrans-64.5-39.6175.1-178.862.4000111.2V141 D143 E144 L149 V150V141-L146 HydrophobicContact CG1-CD2 4.13Å; D143-L146 HydrophobicContact CB-CB 4.06Å; D143-L146 PolarHBondContact O-N 3.4Å; E144-L146 VanDerWaalsContact C-N 3.32Å; E144-L146 PolarHBondContact O-N 2.86Å; L146-L149 PolarHBondContact O-N 2.79Å; L146-V150 HydrophobicContact CD1-CG2 4.32Å; L146-V150 VanDerWaalsContact O-CG2 3.31Å; L146-V150 WeakPolarHBondContact O-CG2 3.38Å; L146-V150 PolarHBondContact O-N 2.85Å
147L92.2Very high93.9Very high36 Ų3674.4 Ų74.419%0.18837%0.367CS..Hα-helixtrans-64.1-47.3178.9-177.165.2000111.7A108 L135 M138 D143 E144 E145 L149 V150 E151A108-L147 HydrophobicContact CB-CD1 4.27Å; L135-L147 HydrophobicContact CD1-CD1 3.69Å; M138-L147 HydrophobicContact CE-CD1 4.01Å; M138-L147 HydrophobicContact CE-CD2 3.67Å; M138-L147 HydrophobicContact CE-CG 4.37Å; M138-L147 HydrophobicContact SD-CD1 3.49Å; M138-L147 WeakPolarHBondContact SD-CD1 3.29Å; M138-L147 HydrophobicContact SD-CD2 4.22Å; M138-L147 HydrophobicContact SD-CG 4.45Å; D143-L147 PolarHBondContact O-N 3.45Å; E144-L147 WeakPolarHBondContact O-CB 3.19Å; E144-L147 PolarHBondContact O-N 3.49Å; E145-L147 VanDerWaalsContact C-N 3.33Å; L147-L149 VanDerWaalsContact C-N 3.29Å; L147-L149 PolarHBondContact O-N 3.09Å; L147-V150 PolarHBondContact O-N 2.76Å; L147-E151 WeakPolarHBondContact O-CB 3.35Å; L147-E151 PolarHBondContact O-N 2.93Å
148E92.9Very high94Very high141 Ų14171.9 Ų71.966%0.65936%0.356SS*.Hα-helixtrans-60.1-41.2177.5-69.8-175.6174.400111.5E144 E151 M152E144-E148 PolarHBondContact O-N 2.89Å; E144-E148 VanDerWaalsContact O-N 3.13Å; E148-E151 PolarHBondContact O-N 2.93Å; E148-M152 WeakPolarHBondContact O-CB 3.48Å; E148-M152 PolarHBondContact O-N 3.15Å
149L94.9Very high94.1Very high77 Ų7773.4 Ų73.440%0.40337%0.368SS..Hα-helixtrans-62.2-47.8175.8178.462.8000111.5E145 L146 L147 M152 E153E145-L149 WeakPolarHBondContact O-CB 3.39Å; E145-L149 PolarHBondContact O-N 3.42Å; E145-L149 VanDerWaalsContact O-N 3.09Å; L146-L149 PolarHBondContact O-N 2.79Å; L147-L149 VanDerWaalsContact C-N 3.29Å; L147-L149 PolarHBondContact O-N 3.09Å; L149-M152 HydrophobicContact CD1-CE 3.73Å; L149-M152 PolarHBondContact O-N 3.13Å; L149-E153 HydrophobicContact CD1-CG 4.45Å; L149-E153 WeakPolarHBondContact O-CG 3.46Å; L149-E153 PolarHBondContact O-N 3.21Å
150V95.5Very high94.3Very high5 Ų576.5 Ų76.53%0.0338%0.381CS..Hα-helixtrans-63.1-43.7179.2168.90000111.1V106 L135 L146 L147 E153 V154V106-V150 HydrophobicContact CG1-CG1 4.36Å; L135-V150 HydrophobicContact CD2-CG1 4.04Å; L146-V150 HydrophobicContact CD1-CG2 4.32Å; L146-V150 VanDerWaalsContact O-CG2 3.31Å; L146-V150 WeakPolarHBondContact O-CG2 3.38Å; L146-V150 PolarHBondContact O-N 2.85Å; L147-V150 PolarHBondContact O-N 2.76Å; V150-E153 PolarHBondContact O-N 3.34Å; V150-V154 HydrophobicContact CG1-CG2 4.47Å; V150-V154 WeakPolarHBondContact O-CG2 3.08Å; V150-V154 PolarHBondContact O-N 2.82Å
151E96.5Very high94.4Very high56 Ų5672.4 Ų72.426%0.26236%0.358SS..Hα-helixtrans-59.8-47.6176.2-178.8171157.800111.2L135 L147 E148 E153 V154 R155 V170L135-E151 HydrophobicContact CD1-CB 4.06Å; L147-E151 WeakPolarHBondContact O-CB 3.35Å; L147-E151 PolarHBondContact O-N 2.93Å; E148-E151 PolarHBondContact O-N 2.93Å; E151-E153 PolarHBondContact O-N 3.44Å; E151-V154 PolarHBondContact O-N 2.91Å; E151-R155 HydrophobicContact CG-CG 4.4Å; E151-R155 WeakPolarHBondContact O-CG 3.35Å; E151-R155 PolarHBondContact O-N 3.47Å; E151-R155 IonicContact OE1-CZ 3.25Å; E151-R155 IonicContact OE1-NE 3.98Å; E151-R155 PolarHBondContact OE1-NE 2.49Å; E151-R155 IonicContact OE1-NH2 3.58Å; E151-R155 PolarHBondContact OE1-NH2 3.43Å; E151-V170 HydrophobicContact CG-CB 4.44Å; E151-V170 HydrophobicContact CG-CG1 4.08Å; E151-V170 HydrophobicContact CG-CG2 4.26Å
152M96.7Very high94.6Very high101 Ų10177.2 Ų77.250%0.49838%0.383SS..Hα-helixtrans-57.4-47177.3-176.1-178.965.600111.5E148 L149 V154 R155 D156E148-M152 WeakPolarHBondContact O-CB 3.48Å; E148-M152 PolarHBondContact O-N 3.15Å; L149-M152 HydrophobicContact CD1-CE 3.73Å; L149-M152 PolarHBondContact O-N 3.13Å; M152-V154 VanDerWaalsContact C-N 3.34Å; M152-V154 PolarHBondContact O-N 3.46Å; M152-R155 PolarHBondContact O-N 3.41Å; M152-D156 PolarHBondContact O-N 2.84Å
153E96.6Very high95Very high85 Ų8569.6 Ų69.640%0.39734%0.342SS..Hα-helixtrans-64-36.5178.5-70.3-173.4168.700112.9P112 L149 V150 E151 L157P112-E153 WeakPolarHBondContact CD-OE2 3.41Å; P112-E153 HydrophobicContact CG-CB 3.83Å; L149-E153 HydrophobicContact CD1-CG 4.45Å; L149-E153 WeakPolarHBondContact O-CG 3.46Å; L149-E153 PolarHBondContact O-N 3.21Å; V150-E153 PolarHBondContact O-N 3.34Å; E151-E153 PolarHBondContact O-N 3.44Å; E153-L157 VanDerWaalsContact O-CB 3.32Å; E153-L157 WeakPolarHBondContact O-CB 3.37Å; E153-L157 PolarHBondContact O-N 2.84Å; E153-L157 VanDerWaalsContact O-N 3.08Å
154V97.2Very high95.3Very high0 Ų068.2 Ų68.20%034%0.338CS..Hα-helixtrans-66.5-43175.1174.20000110.9L104 V106 P112 V133 L135 V150 E151 M152 L157 L158L104-V154 HydrophobicContact CD2-CG1 4.09Å; V106-V154 HydrophobicContact CB-CG2 4.27Å; V106-V154 HydrophobicContact CG1-CG2 4Å; V106-V154 HydrophobicContact CG2-CG2 3.93Å; P112-V154 HydrophobicContact CG-CG2 3.74Å; V133-V154 HydrophobicContact CG1-CG1 3.93Å; V133-V154 HydrophobicContact CG2-CG1 3.83Å; L135-V154 HydrophobicContact CD2-CG2 4.33Å; V150-V154 HydrophobicContact CG1-CG2 4.47Å; V150-V154 WeakPolarHBondContact O-CG2 3.08Å; V150-V154 PolarHBondContact O-N 2.82Å; E151-V154 PolarHBondContact O-N 2.91Å; M152-V154 VanDerWaalsContact C-N 3.34Å; M152-V154 PolarHBondContact O-N 3.46Å; V154-L157 PolarHBondContact O-N 3.42Å; V154-L158 HydrophobicContact CG1-CD1 4.2Å; V154-L158 WeakPolarHBondContact O-CG 3.48Å; V154-L158 PolarHBondContact O-N 3.26Å
155R97.8Very high95.5Very high44 Ų4460.6 Ų60.617%0.16630%0.302CS..Hα-helixtrans-64-44.6178.1-68.9-177.2-179.9-73.92.2111.6E151 M152 L157 L158 T159 G165 D166 T168 V170E151-R155 HydrophobicContact CG-CG 4.4Å; E151-R155 WeakPolarHBondContact O-CG 3.35Å; E151-R155 PolarHBondContact O-N 3.47Å; E151-R155 IonicContact OE1-CZ 3.25Å; E151-R155 IonicContact OE1-NE 3.98Å; E151-R155 PolarHBondContact OE1-NE 2.49Å; E151-R155 IonicContact OE1-NH2 3.58Å; E151-R155 PolarHBondContact OE1-NH2 3.43Å; M152-R155 PolarHBondContact O-N 3.41Å; R155-L157 VanDerWaalsContact C-N 3.28Å; R155-L157 PolarHBondContact O-N 3.4Å; R155-L158 PolarHBondContact O-N 3.21Å; R155-T159 PolarHBondContact O-N 3.18Å; R155-T159 PolarHBondContact O-OG1 3.04Å; R155-T159 VanDerWaalsContact O-OG1 3.08Å; R155-G165 WeakPolarHBondContact CG-O 3.47Å; R155-G165 PolarHBondContact NH1-O 3.25Å; R155-D166 PolarHBondContact NH1-O 3.18Å; R155-T168 PolarHBondContact NH1-O 3.44Å; R155-T168 PolarHBondContact NH2-O 2.97Å; R155-V170 VanDerWaalsContact NH2-CG2 3.27Å
156D97.1Very high95.7Very high98 Ų9859.1 Ų59.152%0.52430%0.3SS..Hα-helixtrans-58.5-42.3175.1-79.5-14.7000111.4M152 T159 E160M152-D156 PolarHBondContact O-N 2.84Å; D156-T159 PolarHBondContact O-N 3.21Å; D156-E160 PolarHBondContact O-N 3.38Å
157L96.9Very high95.9Very high3 Ų362.1 Ų62.12%0.01632%0.316CS..Hα-helixtrans-67.9-37.3179.4-173.265.4000113.2P112 T116 R117 I120 E153 V154 R155 E160 Y161P112-L157 HydrophobicContact CB-CD2 4.17Å; T116-L157 HydrophobicContact CG2-CD2 4.01Å; R117-L157 HydrophobicContact CB-CD1 4.03Å; R117-L157 HydrophobicContact CB-CD2 4.29Å; R117-L157 HydrophobicContact CG-CD1 3.6Å; R117-L157 HydrophobicContact CG-CD2 3.73Å; R117-L157 HydrophobicContact CG-CG 4.29Å; I120-L157 HydrophobicContact CD1-CB 4.4Å; I120-L157 HydrophobicContact CD1-CD2 3.51Å; I120-L157 HydrophobicContact CD1-CG 3.66Å; E153-L157 VanDerWaalsContact O-CB 3.32Å; E153-L157 WeakPolarHBondContact O-CB 3.37Å; E153-L157 PolarHBondContact O-N 2.84Å; E153-L157 VanDerWaalsContact O-N 3.08Å; V154-L157 PolarHBondContact O-N 3.42Å; R155-L157 VanDerWaalsContact C-N 3.28Å; R155-L157 PolarHBondContact O-N 3.4Å; L157-E160 PolarHBondContact O-N 3.18Å; L157-Y161 HydrophobicContact CD1-CD2 4.19Å; L157-Y161 HydrophobicContact CD1-CE2 3.61Å; L157-Y161 HydrophobicContact CG-CD2 4.42Å; L157-Y161 HydrophobicContact CG-CE2 4.24Å; L157-Y161 VanDerWaalsContact O-CD2 3.31Å; L157-Y161 WeakPolarHBondContact O-CD2 3.45Å; L157-Y161 PolarHBondContact O-N 2.92Å
158L97.8Very high96.2Very high0 Ų060.6 Ų60.60%031%0.308CS..Hα-helixtrans-63.5-45.5172.5-74.9169.2000110.6L104 I120 I131 V133 V154 R155 E160 Y161 D162 F163 T168L104-L158 HydrophobicContact CD2-CD2 4.45Å; I120-L158 HydrophobicContact CD1-CD2 4.08Å; I120-L158 HydrophobicContact CD1-CG 4.46Å; I120-L158 HydrophobicContact CG1-CD2 4.19Å; I120-L158 HydrophobicContact CG2-CD2 4.1Å; I131-L158 HydrophobicContact CB-CD2 4.23Å; I131-L158 HydrophobicContact CD1-CD2 3.91Å; I131-L158 HydrophobicContact CG2-CD2 4.04Å; V133-L158 HydrophobicContact CG2-CD1 3.75Å; V154-L158 HydrophobicContact CG1-CD1 4.2Å; V154-L158 WeakPolarHBondContact O-CG 3.48Å; V154-L158 PolarHBondContact O-N 3.26Å; R155-L158 PolarHBondContact O-N 3.21Å; L158-E160 VanDerWaalsContact C-N 3.33Å; L158-E160 PolarHBondContact O-N 3.02Å; L158-Y161 CarbonylContact O-C 3.49Å; L158-Y161 PolarHBondContact O-N 3.48Å; L158-Y161 VanDerWaalsContact O-N 3.16Å; L158-D162 PolarHBondContact O-N 3.46Å; L158-F163 CarbonylContact C-O 3.49Å; L158-F163 HydrophobicContact CB-CB 4.03Å; L158-F163 HydrophobicContact CD2-CB 4.05Å; L158-F163 HydrophobicContact CD2-CD2 4.37Å; L158-F163 HydrophobicContact CD2-CG 4.33Å; L158-F163 WeakPolarHBondContact O-CB 3.2Å; L158-F163 PolarHBondContact O-N 2.88Å; L158-T168 HydrophobicContact CD1-CG2 3.85Å
159T97.3Very high96.4Very high68 Ų6855.3 Ų55.342%0.41729%0.286SS..Hα-helixtrans-61.9-38.6176.8-59.90000112.1R155 D156 Y161 D162 F163 G165R155-T159 PolarHBondContact O-N 3.18Å; R155-T159 PolarHBondContact O-OG1 3.04Å; R155-T159 VanDerWaalsContact O-OG1 3.08Å; D156-T159 PolarHBondContact O-N 3.21Å; T159-Y161 PolarHBondContact O-N 3.46Å; T159-D162 PolarHBondContact O-N 3.17Å; T159-F163 WeakPolarHBondContact CA-O 3.35Å; T159-G165 PolarHBondContact OG1-N 3.34Å
160E96.7Very high96.6Very high113 Ų11352.8 Ų52.853%0.52827%0.274SS..Hα-helixtrans-56.7-32.7175.4-170.8-175.4156.400112.4R117 D156 L157 L158R117-E160 IonicContact NH1-OE2 2.86Å; D156-E160 PolarHBondContact O-N 3.38Å; L157-E160 PolarHBondContact O-N 3.18Å; L158-E160 VanDerWaalsContact C-N 3.33Å; L158-E160 PolarHBondContact O-N 3.02Å
161Y95.8Very high96.7Very high46 Ų4653.1 Ų53.118%0.1828%0.275CS..THydrogen-bonded Turntrans-108.931.1-176.7-63.1-54.3000114.1R117 I120 L121 L157 L158 T159 F163R117-Y161 HydrophobicContact CB-CE2 4.21Å; I120-Y161 HydrophobicContact CB-CD2 3.97Å; I120-Y161 HydrophobicContact CG2-CD2 3.65Å; I120-Y161 HydrophobicContact CG2-CG 4.09Å; L121-Y161 HydrophobicContact CB-CD1 4.16Å; L121-Y161 HydrophobicContact CB-CE1 4.11Å; L121-Y161 HydrophobicContact CB-CE2 4.42Å; L121-Y161 HydrophobicContact CB-CG 4.4Å; L121-Y161 HydrophobicContact CD1-CD1 3.86Å; L121-Y161 HydrophobicContact CD1-CE1 4.01Å; L121-Y161 HydrophobicContact CD2-CE1 4.49Å; L121-Y161 HydrophobicContact CG-CE1 4.42Å; L157-Y161 HydrophobicContact CD1-CD2 4.19Å; L157-Y161 HydrophobicContact CD1-CE2 3.61Å; L157-Y161 HydrophobicContact CG-CD2 4.42Å; L157-Y161 HydrophobicContact CG-CE2 4.24Å; L157-Y161 VanDerWaalsContact O-CD2 3.31Å; L157-Y161 WeakPolarHBondContact O-CD2 3.45Å; L157-Y161 PolarHBondContact O-N 2.92Å; L158-Y161 CarbonylContact O-C 3.49Å; L158-Y161 PolarHBondContact O-N 3.48Å; L158-Y161 VanDerWaalsContact O-N 3.16Å; T159-Y161 PolarHBondContact O-N 3.46Å; Y161-F163 VanDerWaalsContact C-N 3.27Å; Y161-F163 PolarHBondContact O-N 3.16Å
162D94.9Very high96.7Very high117 Ų11751.8 Ų51.863%0.62627%0.274SS*.THydrogen-bonded Turntrans61.227.2175.1-58.5-45.3000115L158 T159L158-D162 PolarHBondContact O-N 3.46Å; T159-D162 PolarHBondContact O-N 3.17Å
163F96.6Very high96.7Very high8 Ų847 Ų474%0.03525%0.25CS..SBendtrans-97149.8162.6-71.4-80000110I120 R124 V128 I131 L158 T159 Y161 G165I120-F163 HydrophobicContact CG2-CD2 3.69Å; I120-F163 HydrophobicContact CG2-CE2 3.84Å; R124-F163 HydrophobicContact CB-CE2 3.85Å; R124-F163 HydrophobicContact CB-CZ 4.24Å; V128-F163 WeakPolarHBondContact O-CE1 3.47Å; V128-F163 WeakPolarHBondContact O-CZ 3.18Å; I131-F163 HydrophobicContact CD1-CD1 4.15Å; I131-F163 HydrophobicContact CD1-CD2 3.88Å; I131-F163 HydrophobicContact CD1-CE1 3.88Å; I131-F163 HydrophobicContact CD1-CE2 3.56Å; I131-F163 HydrophobicContact CD1-CG 4.16Å; I131-F163 HydrophobicContact CD1-CZ 3.57Å; I131-F163 HydrophobicContact CG1-CD1 4.11Å; I131-F163 HydrophobicContact CG1-CE1 3.8Å; I131-F163 HydrophobicContact CG1-CE2 4.4Å; I131-F163 HydrophobicContact CG1-CZ 3.95Å; L158-F163 CarbonylContact C-O 3.49Å; L158-F163 HydrophobicContact CB-CB 4.03Å; L158-F163 HydrophobicContact CD2-CB 4.05Å; L158-F163 HydrophobicContact CD2-CD2 4.37Å; L158-F163 HydrophobicContact CD2-CG 4.33Å; L158-F163 WeakPolarHBondContact O-CB 3.2Å; L158-F163 PolarHBondContact O-N 2.88Å; T159-F163 WeakPolarHBondContact CA-O 3.35Å; Y161-F163 VanDerWaalsContact C-N 3.27Å; Y161-F163 PolarHBondContact O-N 3.16Å; F163-G165 PolarHBondContact O-N 3.42Å
164P95.9Very high96.7Very high57 Ų5743 Ų4337%0.3723%0.232SC..  trans-75.975178.834.1-38.7000110.6D166 D167 T168 Y199P164-D166 VanDerWaalsContact C-N 3.29Å; P164-D166 PolarHBondContact O-N 3.42Å; P164-D167 HydrophobicContact CB-CB 4.27Å; P164-D167 PolarHBondContact O-N 3.06Å; P164-D167 VanDerWaalsContact O-N 3.09Å; P164-T168 PolarHBondContact O-N 3.49Å; P164-T168 PolarHBondContact O-OG1 3.23Å; P164-Y199 WeakPolarHBondContact CG-OH 3.36Å
165G95.2Very high96.7Very high0 Ų043 Ų430%023%0.232CC..G310 helixtrans-54.5-41.2-173.800000113.6R155 T159 F163 D167 T168R155-G165 WeakPolarHBondContact CG-O 3.47Å; R155-G165 PolarHBondContact NH1-O 3.25Å; T159-G165 PolarHBondContact OG1-N 3.34Å; F163-G165 PolarHBondContact O-N 3.42Å; G165-D167 PolarHBondContact O-N 3.33Å; G165-T168 PolarHBondContact O-N 2.79Å
166D94.7Very high96.7Very high123 Ų12344.8 Ų44.866%0.65824%0.244SC*.G310 helixtrans-67.3-33.3179-65.8-24.5000113.4R155 P164R155-D166 PolarHBondContact NH1-O 3.18Å; P164-D166 VanDerWaalsContact C-N 3.29Å; P164-D166 PolarHBondContact O-N 3.42Å
167D95.5Very high96.6Very high127 Ų12743.1 Ų43.168%0.67923%0.232SC*.G310 helixtrans-95.1-4-178.6-59.6-49.4000112.8P164 G165 Y199P164-D167 HydrophobicContact CB-CB 4.27Å; P164-D167 PolarHBondContact O-N 3.06Å; P164-D167 VanDerWaalsContact O-N 3.09Å; G165-D167 PolarHBondContact O-N 3.33Å; D167-Y199 WeakPolarHBondContact O-CE2 3.41Å
168T97.3Very high96.6Very high3 Ų343 Ų432%0.01823%0.232CC..SBendtrans-71.8129.7-178.2-65.60000110I131 V133 R155 L158 P164 G165 V170I131-T168 WeakPolarHBondContact O-CG2 3.5Å; V133-T168 HydrophobicContact CG2-CG2 3.87Å; R155-T168 PolarHBondContact NH1-O 3.44Å; R155-T168 PolarHBondContact NH2-O 2.97Å; L158-T168 HydrophobicContact CD1-CG2 3.85Å; P164-T168 PolarHBondContact O-N 3.49Å; P164-T168 PolarHBondContact O-OG1 3.23Å; G165-T168 PolarHBondContact O-N 2.79Å; T168-V170 PolarHBondContact O-N 3.35Å
169P98Very high96.4Very high31 Ų3145.4 Ų45.420%0.20124%0.244CC..  trans-64.3130.7173-19.630.7000110.9V132 V133 A195 Y199V132-P169 HydrophobicContact CG1-CB 4.32Å; V133-P169 PolarHBondContact N-O 3.34Å; P169-A195 HydrophobicContact CB-CB 3.95Å; P169-A195 HydrophobicContact CG-CB 4.45Å; P169-Y199 HydrophobicContact CG-CD1 4.05Å; P169-Y199 HydrophobicContact CG-CD2 3.69Å; P169-Y199 HydrophobicContact CG-CE2 4.25Å; P169-Y199 HydrophobicContact CG-CG 3.57Å
170V97.8Very high96.2Very high23 Ų2347.9 Ų47.914%0.13925%0.251CS..EExtended strand (participates in β ladder)trans-121.5114.1177.2-179.30000107.7V133 L135 E151 R155 T168V133-V170 HydrophobicContact CB-CB 4.39Å; V133-V170 HydrophobicContact CB-CG1 4.31Å; V133-V170 HydrophobicContact CB-CG2 3.98Å; V133-V170 HydrophobicContact CG1-CG1 4.07Å; V133-V170 HydrophobicContact CG1-CG2 4.4Å; V133-V170 HydrophobicContact CG2-CG2 4.36Å; L135-V170 HydrophobicContact CD1-CG1 3.56Å; L135-V170 HydrophobicContact CD2-CG1 4.44Å; L135-V170 HydrophobicContact CG-CG1 3.61Å; E151-V170 HydrophobicContact CG-CB 4.44Å; E151-V170 HydrophobicContact CG-CG1 4.08Å; E151-V170 HydrophobicContact CG-CG2 4.26Å; R155-V170 VanDerWaalsContact NH2-CG2 3.27Å; T168-V170 PolarHBondContact O-N 3.35Å
171I97.9Very high96.1Very high12 Ų1244.4 Ų44.46%0.06225%0.246CC..EExtended strand (participates in β ladder)trans-109.7122.8179.6-52.4-50.7000109.1V133 F134 L135 E191 L192 A195V133-I171 PolarHBondContact O-N 3.23Å; F134-I171 CarbonylContact C-O 3.48Å; F134-I171 VanDerWaalsContact CA-O 3.32Å; F134-I171 WeakPolarHBondContact CA-O 3.44Å; F134-I171 HydrophobicContact CD2-CB 4.15Å; F134-I171 HydrophobicContact CD2-CG2 4.24Å; F134-I171 WeakPolarHBondContact CD2-O 3.26Å; F134-I171 HydrophobicContact CE2-CG2 4.25Å; L135-I171 PolarHBondContact N-O 2.94Å; I171-E191 HydrophobicContact CD1-CG 3.97Å; I171-E191 HydrophobicContact CG2-CB 4.36Å; I171-E191 HydrophobicContact CG2-CG 4.35Å; I171-L192 HydrophobicContact CB-CB 4.45Å; I171-L192 HydrophobicContact CB-CD1 4.47Å; I171-L192 HydrophobicContact CG1-CB 4.41Å; I171-L192 HydrophobicContact CG1-CD1 4.31Å; I171-L192 HydrophobicContact CG2-CB 4.31Å; I171-A195 HydrophobicContact CD1-CB 4.37Å; I171-A195 HydrophobicContact CG1-CB 4.36Å
172A96.7Very high96Very high28 Ų2845.3 Ų45.323%0.23125%0.254CS..EExtended strand (participates in β ladder)trans-97.1127.7178.400000111.1L135 M138 K188L135-A172 HydrophobicContact CB-CB 4.2Å; L135-A172 WeakPolarHBondContact O-CA 3.44Å; M138-A172 HydrophobicContact CG-CB 3.89Å; M138-A172 HydrophobicContact SD-CB 3.99Å; A172-K188 WeakPolarHBondContact O-CD 3.2Å; A172-K188 WeakPolarHBondContact O-CG 3.25Å
173G97Very high96Very high1 Ų143.2 Ų43.21%0.0125%0.253CS..  trans-167-172.3179.800000114.4L135 N136 K137 M138L135-G173 PolarHBondContact O-N 2.8Å; L135-G173 VanDerWaalsContact O-O 3.12Å; N136-G173 CarbonylContact C-O 3.34Å; N136-G173 WeakPolarHBondContact CA-O 3.44Å; K137-G173 PolarHBondContact N-O 2.88Å; M138-G173 WeakPolarHBondContact CB-O 3.31Å; M138-G173 VanDerWaalsContact CG-N 3.31Å; M138-G173 WeakPolarHBondContact CG-O 3.4Å; M138-G173 PolarHBondContact N-O 3.34Å; M138-G173 VanDerWaalsContact N-O 3.09Å
174S97.5Very high96Very high1 Ų146 Ų461%0.00727%0.274CS..  trans-127.3106.7174.7177.60000109.1D139 L176 K177 A178D139-S174 VanDerWaalsContact CG-OG 3.23Å; D139-S174 WeakPolarHBondContact OD1-CB 3.42Å; D139-S174 PolarHBondContact OD1-OG 3.49Å; S174-L176 PolarHBondContact O-N 3.03Å; S174-K177 PolarHBondContact O-N 2.97Å; S174-K177 WeakPolarHBondContact OG-CG 3.27Å; S174-K177 PolarHBondContact OG-N 3.33Å; S174-A178 WeakPolarHBondContact O-CB 3.3Å; S174-A178 PolarHBondContact O-N 3.44Å
175A97.1Very high96Very high0 Ų045.7 Ų45.70%027%0.265CS..Hα-helixtrans-59.5-36.3175.700000111.7T27 L28 A31 F134 N136 L179T27-A175 HydrophobicContact CG2-CB 3.98Å; L28-A175 HydrophobicContact CB-CB 3.96Å; L28-A175 HydrophobicContact CD1-CB 4.13Å; A31-A175 HydrophobicContact CB-CB 4.43Å; F134-A175 HydrophobicContact CE1-CB 4.29Å; N136-A175 WeakPolarHBondContact OD1-CB 3.32Å; N136-A175 PolarHBondContact OD1-N 2.82Å; A175-L179 WeakPolarHBondContact O-CB 3.32Å; A175-L179 PolarHBondContact O-N 3.33Å
176L96.3Very high96.1Very high82 Ų8247 Ų4743%0.42927%0.271SS..Hα-helixtrans-65.2-50.3178.4179.762.4000111.1T27 S174 A178 L179 E180T27-L176 HydrophobicContact CG2-CB 4.35Å; S174-L176 PolarHBondContact O-N 3.03Å; L176-A178 VanDerWaalsContact C-N 3.34Å; L176-A178 PolarHBondContact O-N 3.4Å; L176-L179 WeakPolarHBondContact O-CB 3.41Å; L176-L179 PolarHBondContact O-N 2.85Å; L176-L179 VanDerWaalsContact O-N 3.16Å; L176-E180 WeakPolarHBondContact O-CG 3.33Å; L176-E180 PolarHBondContact O-N 3.08Å
177K96.5Very high96.1Very high63 Ų6347.5 Ų47.527%0.27427%0.27SS..Hα-helixtrans-65.4-37.1179.5-66.2-73.1162.6-150.40112.6D139 S174 L179 E180 G181 D182 Y185D139-K177 HydrophobicContact CB-CG 3.9Å; S174-K177 PolarHBondContact O-N 2.97Å; S174-K177 WeakPolarHBondContact OG-CG 3.27Å; S174-K177 PolarHBondContact OG-N 3.33Å; K177-L179 VanDerWaalsContact C-N 3.32Å; K177-L179 PolarHBondContact O-N 3.05Å; K177-E180 WeakPolarHBondContact CD-OE2 3.36Å; K177-E180 IonicContact NZ-OE2 3.65Å; K177-E180 PolarHBondContact NZ-OE2 3.04Å; K177-E180 PolarHBondContact O-N 3.03Å; K177-G181 PolarHBondContact O-N 2.98Å; K177-D182 HydrophobicContact CB-CB 4.06Å; K177-D182 WeakPolarHBondContact O-CB 3.29Å; K177-D182 PolarHBondContact O-N 3.26Å; K177-Y185 HydrophobicContact CB-CD2 3.21Å; K177-Y185 HydrophobicContact CB-CE2 3.72Å; K177-Y185 HydrophobicContact CB-CG 3.77Å; K177-Y185 HydrophobicContact CG-CD2 3.85Å; K177-Y185 HydrophobicContact CG-CE2 3.79Å
178A95.9Very high96.2Very high0 Ų044.8 Ų44.80%025%0.252CS..Hα-helixtrans-60.5-42.4172.300000111.6A31 S174 L176 G181 E186 I189A31-A178 HydrophobicContact CB-CB 4.23Å; S174-A178 WeakPolarHBondContact O-CB 3.3Å; S174-A178 PolarHBondContact O-N 3.44Å; L176-A178 VanDerWaalsContact C-N 3.34Å; L176-A178 PolarHBondContact O-N 3.4Å; A178-G181 PolarHBondContact O-N 3.32Å; A178-E186 HydrophobicContact CB-CG 4.43Å; A178-I189 HydrophobicContact CB-CD1 4.22Å; A178-I189 HydrophobicContact CB-CG1 3.57Å
179L93.7Very high96.2Very high50 Ų5044.7 Ų44.726%0.26225%0.251SS..Hα-helixtrans-68-33.9176.2-172.363.7000112.5T27 A30 A31 T34 A175 L176 K177 G181T27-L179 HydrophobicContact CG2-CD2 4.44Å; A30-L179 HydrophobicContact CB-CD1 4.21Å; A30-L179 HydrophobicContact CB-CD2 4.13Å; A31-L179 HydrophobicContact CB-CB 4.33Å; T34-L179 HydrophobicContact CG2-CD1 4.3Å; T34-L179 WeakPolarHBondContact OG1-CD1 3.42Å; A175-L179 WeakPolarHBondContact O-CB 3.32Å; A175-L179 PolarHBondContact O-N 3.33Å; L176-L179 WeakPolarHBondContact O-CB 3.41Å; L176-L179 PolarHBondContact O-N 2.85Å; L176-L179 VanDerWaalsContact O-N 3.16Å; K177-L179 VanDerWaalsContact C-N 3.32Å; K177-L179 PolarHBondContact O-N 3.05Å; L179-G181 PolarHBondContact O-N 2.95Å
180E94.1Very high96.2Very high120 Ų12045.8 Ų45.856%0.56126%0.255SS*.Hα-helixtrans-71.2-10.2174.7-72.1179.416200113.7L176 K177L176-E180 WeakPolarHBondContact O-CG 3.33Å; L176-E180 PolarHBondContact O-N 3.08Å; K177-E180 WeakPolarHBondContact CD-OE2 3.36Å; K177-E180 IonicContact NZ-OE2 3.65Å; K177-E180 PolarHBondContact NZ-OE2 3.04Å; K177-E180 PolarHBondContact O-N 3.03Å
181G93Very high96.2Very high41 Ų4148.6 Ų48.642%0.42327%0.267SS..THydrogen-bonded Turntrans101.213.6176.700000115.4K177 A178 L179 A183 E186K177-G181 PolarHBondContact O-N 2.98Å; A178-G181 PolarHBondContact O-N 3.32Å; L179-G181 PolarHBondContact O-N 2.95Å; G181-A183 PolarHBondContact O-N 3Å; G181-E186 WeakPolarHBondContact CA-OE1 3.42Å
182D95.7Very high96.2Very high65 Ų6548 Ų4835%0.34826%0.264SS..  trans-72.8112.1178.2-169.5-52.3000110.7K177 S184 Y185 E186K177-D182 HydrophobicContact CB-CB 4.06Å; K177-D182 WeakPolarHBondContact O-CB 3.29Å; K177-D182 PolarHBondContact O-N 3.26Å; D182-S184 PolarHBondContact O-N 3.21Å; D182-S184 VanDerWaalsContact O-N 3.14Å; D182-S184 WeakPolarHBondContact OD1-CB 3.36Å; D182-S184 PolarHBondContact OD1-N 3.43Å; D182-S184 PolarHBondContact OD1-OG 3.36Å; D182-Y185 HydrophobicContact CB-CD2 4.03Å; D182-Y185 PolarHBondContact O-N 2.96Å; D182-Y185 VanDerWaalsContact O-N 3.08Å; D182-E186 WeakPolarHBondContact O-CG 3.09Å; D182-E186 PolarHBondContact O-N 3.14Å
183A94.8Very high96.2Very high73 Ų7346.9 Ų46.960%0.60325%0.254SS*.Hα-helixtrans-56.3-33.5-175.200000114G181 E187G181-A183 PolarHBondContact O-N 3Å; A183-E187 PolarHBondContact O-N 3.42Å; A183-E187 VanDerWaalsContact O-N 3.12Å
184S95.3Very high96.2Very high67 Ų6749.5 Ų49.547%0.46928%0.275SS..Hα-helixtrans-69.4-36.9-179.668.50000111.9D182D182-S184 PolarHBondContact O-N 3.21Å; D182-S184 VanDerWaalsContact O-N 3.14Å; D182-S184 WeakPolarHBondContact OD1-CB 3.36Å; D182-S184 PolarHBondContact OD1-N 3.43Å; D182-S184 PolarHBondContact OD1-OG 3.36Å
185Y96.2Very high96.2Very high50 Ų5050.1 Ų50.120%0.19628%0.281CS..Hα-helixtrans-84.2-26.7177.1-68.8-68000112.7M138 K177 D182 E187 K188 I189M138-Y185 HydrophobicContact CB-CE1 4.15Å; K177-Y185 HydrophobicContact CB-CD2 3.21Å; K177-Y185 HydrophobicContact CB-CE2 3.72Å; K177-Y185 HydrophobicContact CB-CG 3.77Å; K177-Y185 HydrophobicContact CG-CD2 3.85Å; K177-Y185 HydrophobicContact CG-CE2 3.79Å; D182-Y185 HydrophobicContact CB-CD2 4.03Å; D182-Y185 PolarHBondContact O-N 2.96Å; D182-Y185 VanDerWaalsContact O-N 3.08Å; Y185-E187 VanDerWaalsContact C-N 3.3Å; Y185-K188 WeakPolarHBondContact O-CB 3.18Å; Y185-K188 PolarHBondContact O-N 2.77Å; Y185-I189 PolarHBondContact O-N 2.84Å
186E96.4Very high96.2Very high26 Ų2650.1 Ų50.112%0.12128%0.281CS..Hα-helixtrans-61.3-40.3167.7-69.3-175.1-166.700111.8V35 K38 A178 G181 D182 K188 I189 L190V35-E186 HydrophobicContact CG1-CB 4.48Å; V35-E186 HydrophobicContact CG2-CB 4.04Å; V35-E186 HydrophobicContact CG2-CG 3.75Å; K38-E186 IonicContact NZ-OE1 3.73Å; K38-E186 PolarHBondContact NZ-OE1 2.75Å; K38-E186 IonicContact NZ-OE2 2.77Å; K38-E186 PolarHBondContact NZ-OE2 3.32Å; A178-E186 HydrophobicContact CB-CG 4.43Å; G181-E186 WeakPolarHBondContact CA-OE1 3.42Å; D182-E186 WeakPolarHBondContact O-CG 3.09Å; D182-E186 PolarHBondContact O-N 3.14Å; E186-K188 VanDerWaalsContact C-N 3.26Å; E186-K188 PolarHBondContact O-N 2.88Å; E186-I189 WeakPolarHBondContact O-CB 3.38Å; E186-I189 PolarHBondContact O-N 2.7Å; E186-I189 VanDerWaalsContact O-N 3.08Å; E186-L190 PolarHBondContact O-N 3.2Å; E186-L190 VanDerWaalsContact O-N 3.08Å
187E96.5Very high96.2Very high135 Ų13547 Ų4763%0.63126%0.264SS*.Hα-helixtrans-59.9-37.2174-171.5172.1-165.900111.6A183 Y185 I189 L190 E191A183-E187 PolarHBondContact O-N 3.42Å; A183-E187 VanDerWaalsContact O-N 3.12Å; Y185-E187 VanDerWaalsContact C-N 3.3Å; E187-I189 VanDerWaalsContact C-N 3.33Å; E187-I189 PolarHBondContact O-N 3.49Å; E187-L190 WeakPolarHBondContact O-CB 3.19Å; E187-L190 PolarHBondContact O-N 2.77Å; E187-L190 VanDerWaalsContact O-N 3.17Å; E187-E191 WeakPolarHBondContact O-CB 3.45Å; E187-E191 PolarHBondContact O-N 3.4Å
188K97.6Very high96.2Very high70 Ų7052.3 Ų52.330%0.30429%0.29SS..Hα-helixtrans-65.1-31.9173.5-64.6-56.5-173.5179.30113.8A172 Y185 E186 E191 L192A172-K188 WeakPolarHBondContact O-CD 3.2Å; A172-K188 WeakPolarHBondContact O-CG 3.25Å; Y185-K188 WeakPolarHBondContact O-CB 3.18Å; Y185-K188 PolarHBondContact O-N 2.77Å; E186-K188 VanDerWaalsContact C-N 3.26Å; E186-K188 PolarHBondContact O-N 2.88Å; K188-E191 WeakPolarHBondContact CD-OE2 3.3Å; K188-E191 IonicContact NZ-OE1 3.39Å; K188-E191 IonicContact NZ-OE2 3.57Å; K188-E191 PolarHBondContact NZ-OE2 2.88Å; K188-L192 WeakPolarHBondContact O-CB 3.36Å; K188-L192 PolarHBondContact O-N 3.13Å
189I97.2Very high96.3Very high0 Ų054.6 Ų54.60%030%0.299CS..Hα-helixtrans-69.1-39.1172.4-60-54.6000110.9L28 A31 I32 V35 F134 A178 Y185 E186 E187 L192 M193L28-I189 HydrophobicContact CD1-CD1 3.51Å; A31-I189 HydrophobicContact CB-CD1 4.21Å; A31-I189 HydrophobicContact CB-CG1 4.32Å; I32-I189 HydrophobicContact CB-CG2 4.35Å; I32-I189 HydrophobicContact CG1-CG2 3.86Å; V35-I189 HydrophobicContact CB-CB 4.36Å; V35-I189 HydrophobicContact CB-CG2 3.95Å; V35-I189 HydrophobicContact CG1-CB 4.29Å; V35-I189 HydrophobicContact CG1-CG2 4.16Å; V35-I189 HydrophobicContact CG2-CB 4.16Å; V35-I189 HydrophobicContact CG2-CG1 4.32Å; V35-I189 HydrophobicContact CG2-CG2 4.15Å; F134-I189 HydrophobicContact CE2-CD1 4.27Å; F134-I189 HydrophobicContact CZ-CD1 4Å; A178-I189 HydrophobicContact CB-CD1 4.22Å; A178-I189 HydrophobicContact CB-CG1 3.57Å; Y185-I189 PolarHBondContact O-N 2.84Å; E186-I189 WeakPolarHBondContact O-CB 3.38Å; E186-I189 PolarHBondContact O-N 2.7Å; E186-I189 VanDerWaalsContact O-N 3.08Å; E187-I189 VanDerWaalsContact C-N 3.33Å; E187-I189 PolarHBondContact O-N 3.49Å; I189-L192 WeakPolarHBondContact O-CB 3.48Å; I189-L192 PolarHBondContact O-N 2.66Å; I189-M193 WeakPolarHBondContact O-CG 3.49Å; I189-M193 PolarHBondContact O-N 2.76Å
190L96.7Very high96.4Very high55 Ų5552.2 Ų52.229%0.28829%0.287SS..Hα-helixtrans-66.6-40.5174.5-62.8177000111.9V35 L36 Q39 E186 E187 M193 A194V35-L190 HydrophobicContact CG1-CD2 3.56Å; V35-L190 HydrophobicContact CG1-CG 3.8Å; L36-L190 HydrophobicContact CD2-CD2 4.27Å; Q39-L190 VanDerWaalsContact NE2-CD1 3.3Å; E186-L190 PolarHBondContact O-N 3.2Å; E186-L190 VanDerWaalsContact O-N 3.08Å; E187-L190 WeakPolarHBondContact O-CB 3.19Å; E187-L190 PolarHBondContact O-N 2.77Å; E187-L190 VanDerWaalsContact O-N 3.17Å; L190-M193 PolarHBondContact O-N 2.97Å; L190-A194 WeakPolarHBondContact O-CB 3.22Å; L190-A194 PolarHBondContact O-N 2.65Å
191E97.6Very high96.5Very high82 Ų8249.1 Ų49.138%0.38328%0.277SS..Hα-helixtrans-60.1-44.2173.5-170.6-178.5168.800111.3I171 E187 K188 M193 A194 A195I171-E191 HydrophobicContact CD1-CG 3.97Å; I171-E191 HydrophobicContact CG2-CB 4.36Å; I171-E191 HydrophobicContact CG2-CG 4.35Å; E187-E191 WeakPolarHBondContact O-CB 3.45Å; E187-E191 PolarHBondContact O-N 3.4Å; K188-E191 WeakPolarHBondContact CD-OE2 3.3Å; K188-E191 IonicContact NZ-OE1 3.39Å; K188-E191 IonicContact NZ-OE2 3.57Å; K188-E191 PolarHBondContact NZ-OE2 2.88Å; E191-M193 PolarHBondContact O-N 3.41Å; E191-A194 PolarHBondContact O-N 3.4Å; E191-A195 WeakPolarHBondContact O-CB 3.47Å; E191-A195 PolarHBondContact O-N 2.82Å
192L98Very high96.5Very high0 Ų050.2 Ų50.20%028%0.275CS..Hα-helixtrans-57.3-48.3172.6174.866.1000111.8L28 I32 I103 V132 F134 I171 K188 I189 A194 A195 V196L28-L192 HydrophobicContact CD1-CD2 3.96Å; L28-L192 HydrophobicContact CD2-CD2 4.13Å; L28-L192 HydrophobicContact CG-CD2 4.44Å; I32-L192 HydrophobicContact CD1-CD2 4.27Å; I103-L192 HydrophobicContact CD1-CD2 4.44Å; I103-L192 HydrophobicContact CG2-CD1 4.36Å; I103-L192 HydrophobicContact CG2-CD2 4.42Å; V132-L192 HydrophobicContact CG1-CD1 3.67Å; F134-L192 HydrophobicContact CB-CD1 4.34Å; F134-L192 HydrophobicContact CB-CD2 4.36Å; F134-L192 HydrophobicContact CD2-CB 4.38Å; F134-L192 HydrophobicContact CD2-CD1 4.25Å; F134-L192 HydrophobicContact CD2-CD2 3.79Å; F134-L192 HydrophobicContact CD2-CG 4.37Å; F134-L192 HydrophobicContact CE2-CD2 4.34Å; F134-L192 HydrophobicContact CG-CD2 4.17Å; I171-L192 HydrophobicContact CB-CB 4.45Å; I171-L192 HydrophobicContact CB-CD1 4.47Å; I171-L192 HydrophobicContact CG1-CB 4.41Å; I171-L192 HydrophobicContact CG1-CD1 4.31Å; I171-L192 HydrophobicContact CG2-CB 4.31Å; K188-L192 WeakPolarHBondContact O-CB 3.36Å; K188-L192 PolarHBondContact O-N 3.13Å; I189-L192 WeakPolarHBondContact O-CB 3.48Å; I189-L192 PolarHBondContact O-N 2.66Å; L192-A194 VanDerWaalsContact C-N 3.33Å; L192-A194 PolarHBondContact O-N 3.26Å; L192-A195 PolarHBondContact O-N 3.15Å; L192-V196 HydrophobicContact CD1-CG2 4.46Å; L192-V196 WeakPolarHBondContact O-CG2 3.42Å; L192-V196 PolarHBondContact O-N 2.79Å
193M97.4Very high96.3Very high3 Ų348.7 Ų48.72%0.01527%0.269CS..Hα-helixtrans-68.7-32.6-179-70.3-52-4800112.8I15 I32 L36 Y70 T72 Y77 I189 L190 E191 V196 D197I15-M193 HydrophobicContact CD1-CE 4.41Å; I32-M193 HydrophobicContact CD1-SD 4.32Å; I32-M193 HydrophobicContact CG1-SD 4.39Å; I32-M193 HydrophobicContact CG2-CG 4.24Å; I32-M193 HydrophobicContact CG2-SD 3.84Å; L36-M193 HydrophobicContact CD1-CG 4.33Å; Y70-M193 HydrophobicContact CD2-CE 4.38Å; Y70-M193 HydrophobicContact CE2-CE 3.6Å; Y70-M193 HydrophobicContact CE2-SD 4.06Å; T72-M193 HydrophobicContact CG2-CB 4.18Å; T72-M193 HydrophobicContact CG2-CE 3.92Å; Y77-M193 HydrophobicContact CD2-CE 3.95Å; Y77-M193 HydrophobicContact CE2-CE 3.87Å; Y77-M193 HydrophobicContact CG-CE 4.5Å; I189-M193 WeakPolarHBondContact O-CG 3.49Å; I189-M193 PolarHBondContact O-N 2.76Å; L190-M193 PolarHBondContact O-N 2.97Å; E191-M193 PolarHBondContact O-N 3.41Å; M193-V196 HydrophobicContact CE-CB 4.38Å; M193-V196 HydrophobicContact CE-CG1 4.16Å; M193-V196 PolarHBondContact O-N 3.09Å; M193-D197 PolarHBondContact O-N 2.74Å
194A97Very high96.1Very high56 Ų5651.8 Ų51.846%0.46328%0.28SS..Hα-helixtrans-65.4-43.4171.300000111.5L190 E191 L192 V196 D197 E198L190-A194 WeakPolarHBondContact O-CB 3.22Å; L190-A194 PolarHBondContact O-N 2.65Å; E191-A194 PolarHBondContact O-N 3.4Å; L192-A194 VanDerWaalsContact C-N 3.33Å; L192-A194 PolarHBondContact O-N 3.26Å; A194-V196 VanDerWaalsContact C-N 3.32Å; A194-V196 PolarHBondContact O-N 2.93Å; A194-D197 WeakPolarHBondContact O-CB 3.4Å; A194-D197 PolarHBondContact O-N 3.44Å; A194-E198 PolarHBondContact O-N 3.21Å
195A97.5Very high95.8Very high15 Ų1552.7 Ų52.712%0.12427%0.273CS..Hα-helixtrans-62.4-39.5174.700000111.8P169 I171 E191 L192 E198 Y199P169-A195 HydrophobicContact CB-CB 3.95Å; P169-A195 HydrophobicContact CG-CB 4.45Å; I171-A195 HydrophobicContact CD1-CB 4.37Å; I171-A195 HydrophobicContact CG1-CB 4.36Å; E191-A195 WeakPolarHBondContact O-CB 3.47Å; E191-A195 PolarHBondContact O-N 2.82Å; L192-A195 PolarHBondContact O-N 3.15Å; A195-E198 PolarHBondContact O-N 3.15Å; A195-Y199 WeakPolarHBondContact O-CB 3.43Å; A195-Y199 PolarHBondContact O-N 3.14Å
196V97.3Very high95.5Very high0 Ų053.8 Ų53.80%028%0.283CS..Hα-helixtrans-62.8-45.2173.4165.50000111.5I15 Y77 I103 V132 L192 M193 A194 E198 I200I15-V196 HydrophobicContact CD1-CG1 4.14Å; I15-V196 HydrophobicContact CG2-CG1 4.39Å; Y77-V196 HydrophobicContact CE1-CG1 3.76Å; I103-V196 HydrophobicContact CD1-CG2 4.18Å; I103-V196 HydrophobicContact CG1-CG2 4.22Å; V132-V196 HydrophobicContact CB-CG2 4.29Å; V132-V196 HydrophobicContact CG1-CG2 4.32Å; V132-V196 HydrophobicContact CG2-CG2 4.14Å; L192-V196 HydrophobicContact CD1-CG2 4.46Å; L192-V196 WeakPolarHBondContact O-CG2 3.42Å; L192-V196 PolarHBondContact O-N 2.79Å; M193-V196 HydrophobicContact CE-CB 4.38Å; M193-V196 HydrophobicContact CE-CG1 4.16Å; M193-V196 PolarHBondContact O-N 3.09Å; A194-V196 VanDerWaalsContact C-N 3.32Å; A194-V196 PolarHBondContact O-N 2.93Å; V196-E198 VanDerWaalsContact C-N 3.33Å; V196-E198 PolarHBondContact O-N 3.36Å; V196-I200 HydrophobicContact CG1-CD1 4.07Å; V196-I200 HydrophobicContact CG2-CD1 4.44Å; V196-I200 WeakPolarHBondContact O-CB 3.48Å; V196-I200 PolarHBondContact O-N 2.91Å
197D96.1Very high95.2Very high15 Ų1555.6 Ų55.68%0.0830%0.295CS..Hα-helixtrans-59.4-41.9176.2-91.7-17.5000112.1T72 N74 R75 Y77 M193 A194T72-D197 WeakPolarHBondContact CB-OD2 3.36Å; T72-D197 PolarHBondContact OG1-OD1 3.37Å; T72-D197 VanDerWaalsContact OG1-OD1 3.12Å; T72-D197 PolarHBondContact OG1-OD2 3.44Å; N74-D197 PolarHBondContact ND2-OD2 3.09Å; R75-D197 PolarHBondContact NH1-O 3.4Å; R75-D197 VanDerWaalsContact NH1-O 3.14Å; R75-D197 PolarHBondContact NH2-O 3.31Å; Y77-D197 WeakPolarHBondContact CE2-OD1 3.17Å; Y77-D197 PolarHBondContact OH-OD1 3.07Å; M193-D197 PolarHBondContact O-N 2.74Å; A194-D197 WeakPolarHBondContact O-CB 3.4Å; A194-D197 PolarHBondContact O-N 3.44Å
198E96.6Very high94.9Very high176 Ų17656.5 Ų56.582%0.82231%0.305SS*.Hα-helixtrans-80-45.9-176.3-174.6172.3179.900112.9A194 A195 V196A194-E198 PolarHBondContact O-N 3.21Å; A195-E198 PolarHBondContact O-N 3.15Å; V196-E198 VanDerWaalsContact C-N 3.33Å; V196-E198 PolarHBondContact O-N 3.36Å
199Y97.1Very high94.7Very high48 Ų4857.8 Ų57.819%0.18831%0.31CS..Hα-helixtrans-84.8-37.5-168.5-168.9-108.2000113.7Y130 I131 V132 P164 D167 P169 A195 P201Y130-Y199 HydrophobicContact CD1-CD1 4.35Å; Y130-Y199 HydrophobicContact CD1-CE1 4.03Å; I131-Y199 WeakPolarHBondContact O-CE1 3.49Å; V132-Y199 HydrophobicContact CG2-CD1 3.89Å; P164-Y199 WeakPolarHBondContact CG-OH 3.36Å; D167-Y199 WeakPolarHBondContact O-CE2 3.41Å; P169-Y199 HydrophobicContact CG-CD1 4.05Å; P169-Y199 HydrophobicContact CG-CD2 3.69Å; P169-Y199 HydrophobicContact CG-CE2 4.25Å; P169-Y199 HydrophobicContact CG-CG 3.57Å; A195-Y199 WeakPolarHBondContact O-CB 3.43Å; A195-Y199 PolarHBondContact O-N 3.14Å; Y199-P201 WeakPolarHBondContact O-CD 3.23Å
200I96.4Very high94.6Very high0 Ų062.5 Ų62.50%034%0.341CS..SBendtrans-88.4113.1178-61.8169000107V13 I15 R75 V132 V196V13-I200 HydrophobicContact CG1-CG2 4.02Å; I15-I200 HydrophobicContact CG2-CD1 4.21Å; R75-I200 PolarHBondContact NH1-O 3.43Å; R75-I200 PolarHBondContact NH2-O 2.88Å; V132-I200 HydrophobicContact CG2-CD1 4.08Å; V132-I200 HydrophobicContact CG2-CG1 4.27Å; V196-I200 HydrophobicContact CG1-CD1 4.07Å; V196-I200 HydrophobicContact CG2-CD1 4.44Å; V196-I200 WeakPolarHBondContact O-CB 3.48Å; V196-I200 PolarHBondContact O-N 2.91Å
201P95.2Very high94.6Very high55 Ų5563.1 Ų63.136%0.35734%0.341SS..PPolyproline II helixtrans-71.7154.2179.630.5-34.6000111Y130 Y199 P203Y130-P201 VanDerWaalsContact CD2-CD 3.49Å; Y130-P201 HydrophobicContact CD2-CG 4.1Å; Y130-P201 HydrophobicContact CE2-CG 3.39Å; Y199-P201 WeakPolarHBondContact O-CD 3.23Å; P201-P203 WeakPolarHBondContact O-CD 3.31Å
202T93.5Very high94.5Very high63 Ų6362.6 Ų62.639%0.38734%0.34SS..PPolyproline II helixtrans-61.5121.9166.3-56.50000109.1P11 R75P11-T202 HydrophobicContact CB-CG2 3.86Å; R75-T202 PolarHBondContact NE-OG1 3.25Å
203P91.4Very high94.3Very high33 Ų3365 Ų6521%0.21435%0.352CS..PPolyproline II helixtrans-68.8142-176.427.9-35.4000111.2D100 P201 R205D100-P203 HydrophobicContact CB-CB 4.5Å; D100-P203 HydrophobicContact CB-CG 4.17Å; P201-P203 WeakPolarHBondContact O-CD 3.31Å; P203-R205 PolarHBondContact O-N 2.99Å
204V89.9Confident94.1Very high139 Ų13968.2 Ų68.284%0.84237%0.373SS*.  trans-75.8114.4171.1-1790000108.2
205R89.2Confident93.9Very high85 Ų8569.5 Ų69.532%0.32137%0.374SS..  trans-92.3128.6-179.3-59.2-61.6-168.5-164.2-5.5111N14 D100 P203 T207N14-R205 PolarHBondContact ND2-NH2 3.32Å; N14-R205 VanDerWaalsContact ND2-NH2 3.15Å; D100-R205 VanDerWaalsContact CG-NH2 3.32Å; D100-R205 IonicContact OD1-CZ 2.71Å; D100-R205 IonicContact OD1-NH1 3.38Å; D100-R205 PolarHBondContact OD1-NH1 3.38Å; D100-R205 IonicContact OD1-NH2 3.67Å; D100-R205 PolarHBondContact OD1-NH2 2.99Å; D100-R205 IonicContact OD2-CZ 3.84Å; D100-R205 IonicContact OD2-NH1 3.16Å; D100-R205 IonicContact OD2-NH2 3.83Å; D100-R205 PolarHBondContact OD2-NH2 3.45Å; P203-R205 PolarHBondContact O-N 2.99Å; R205-T207 VanDerWaalsContact C-N 3.26Å; R205-T207 HydrophobicContact CB-CG2 4.01Å; R205-T207 PolarHBondContact O-N 2.96Å
206D89.8Confident93.4Very high74 Ų7470.4 Ų70.440%0.39638%0.376SS..  trans-80.464.1177.5-79.4-46.6000112.3D208 K209 R234 G235D206-D208 PolarHBondContact O-N 3.47Å; D206-K209 HydrophobicContact CB-CD 3.73Å; D206-K209 HydrophobicContact CB-CG 4.05Å; D206-K209 PolarHBondContact O-N 3.47Å; D206-K209 WeakPolarHBondContact OD1-CE 3.47Å; D206-K209 IonicContact OD1-NZ 3.32Å; D206-K209 PolarHBondContact OD1-NZ 3.48Å; D206-K209 WeakPolarHBondContact OD2-CE 3.47Å; D206-K209 IonicContact OD2-NZ 2.65Å; D206-K209 PolarHBondContact OD2-NZ 3.16Å; D206-R234 HydrophobicContact CB-CB 4.07Å; D206-G235 PolarHBondContact O-N 3.42Å
207T90.1Very high92.9Very high63 Ų6374.1 Ų74.139%0.38740%0.396SS..THydrogen-bonded Turntrans-71.3-14.5-173.156.80000114.8R205 Q236R205-T207 VanDerWaalsContact C-N 3.26Å; R205-T207 HydrophobicContact CB-CG2 4.01Å; R205-T207 PolarHBondContact O-N 2.96Å; T207-Q236 PolarHBondContact O-NE2 3.27Å
208D91.7Very high92.7Very high155 Ų15577.3 Ų77.383%0.82942%0.416SS*.THydrogen-bonded Turntrans-94-2.1-177.5-61.7-29.3000113.3D206D206-D208 PolarHBondContact O-N 3.47Å
209K92.9Very high92.3Very high97 Ų9773.8 Ų73.842%0.42240%0.398SS..SBendtrans-85.1164.4177-65.2-173.2-172.8167.10111.2D206 F211 R234 G235D206-K209 HydrophobicContact CB-CD 3.73Å; D206-K209 HydrophobicContact CB-CG 4.05Å; D206-K209 PolarHBondContact O-N 3.47Å; D206-K209 WeakPolarHBondContact OD1-CE 3.47Å; D206-K209 IonicContact OD1-NZ 3.32Å; D206-K209 PolarHBondContact OD1-NZ 3.48Å; D206-K209 WeakPolarHBondContact OD2-CE 3.47Å; D206-K209 IonicContact OD2-NZ 2.65Å; D206-K209 PolarHBondContact OD2-NZ 3.16Å; K209-F211 PolarHBondContact O-N 3.38Å; K209-R234 HydrophobicContact CB-CB 4.15Å; K209-R234 HydrophobicContact CB-CG 4.37Å; K209-G235 WeakPolarHBondContact O-CA 3.45Å
210P94.7Very high92Very high99 Ų9976.6 Ų76.664%0.64343%0.425SS*.PPolyproline II helixtrans-56.5138.7171-25.235.1000111.6M212 R234P210-M212 PolarHBondContact O-N 2.86Å; P210-R234 WeakPolarHBondContact O-CG 3.35Å; P210-R234 PolarHBondContact O-NE 3.37Å
211F96.3Very high91.7Very high67 Ų6780.1 Ų80.129%0.29444%0.443SS..PPolyproline II helixtrans-54.3132.4-179.1177.1-111.1000111.6K209 M213 V232 R234 V237 V243K209-F211 PolarHBondContact O-N 3.38Å; F211-M213 HydrophobicContact CE1-CB 4.2Å; F211-M213 HydrophobicContact CE2-CB 4.01Å; F211-M213 HydrophobicContact CZ-CB 3.53Å; F211-M213 HydrophobicContact CZ-CG 4.46Å; F211-M213 HydrophobicContact CZ-SD 4.26Å; F211-V232 HydrophobicContact CD2-CG1 3.96Å; F211-V232 HydrophobicContact CE2-CB 4.39Å; F211-V232 HydrophobicContact CE2-CG1 3.71Å; F211-V232 HydrophobicContact CE2-CG2 3.84Å; F211-R234 WeakPolarHBondContact CA-O 3.37Å; F211-V237 HydrophobicContact CD1-CB 4.2Å; F211-V237 HydrophobicContact CD1-CG2 4.48Å; F211-V237 HydrophobicContact CD2-CB 3.72Å; F211-V237 HydrophobicContact CD2-CG1 4.09Å; F211-V237 HydrophobicContact CE1-CB 4.1Å; F211-V237 HydrophobicContact CE1-CG1 4.41Å; F211-V237 HydrophobicContact CE1-CG2 4.31Å; F211-V237 HydrophobicContact CE2-CB 3.61Å; F211-V237 HydrophobicContact CE2-CG1 3.48Å; F211-V237 VanDerWaalsContact CE2-CG1 3.48Å; F211-V237 HydrophobicContact CG-CB 4.01Å; F211-V237 HydrophobicContact CZ-CB 3.81Å; F211-V237 HydrophobicContact CZ-CG1 3.67Å; F211-V237 HydrophobicContact CZ-CG2 4.37Å; F211-V243 HydrophobicContact CD1-CG1 4.06Å; F211-V243 HydrophobicContact CE1-CG1 4.19Å
212M95.5Very high91.4Very high71 Ų7184.5 Ų84.535%0.3547%0.469SS..BIsolated β-bridgetrans-148.9130.5169.6-173.3-123.2-70.400108.6P210 P214 E233 R234P210-M212 PolarHBondContact O-N 2.86Å; M212-P214 HydrophobicContact SD-CG 4.46Å; M212-E233 HydrophobicContact CE-CG 4.33Å; M212-E233 PolarHBondContact O-N 3.08Å; M212-E233 HydrophobicContact SD-CB 3.92Å; M212-E233 HydrophobicContact SD-CG 4.07Å; M212-R234 HydrophobicContact CB-CG 3.79Å; M212-R234 HydrophobicContact CE-CG 4.41Å; M212-R234 PolarHBondContact N-O 3.45Å; M212-R234 PolarHBondContact O-N 2.92Å
213M95Very high91.4Very high51 Ų5185.7 Ų85.725%0.25149%0.494SS..  trans-137.8109.4178.2-176.4-173.685.400108.1F211 V215 V232F211-M213 HydrophobicContact CE1-CB 4.2Å; F211-M213 HydrophobicContact CE2-CB 4.01Å; F211-M213 HydrophobicContact CZ-CB 3.53Å; F211-M213 HydrophobicContact CZ-CG 4.46Å; F211-M213 HydrophobicContact CZ-SD 4.26Å; M213-V215 PolarHBondContact O-N 2.86Å; M213-V232 HydrophobicContact CB-CG2 4.48Å; M213-V232 HydrophobicContact CG-CG2 4.25Å; M213-V232 HydrophobicContact SD-CG2 4.19Å
214P92.7Very high91.3Very high70 Ų7094.2 Ų94.246%0.45552%0.522SS..  trans-56.4132.8168-23.834.5000110.3M212 R231 E233M212-P214 HydrophobicContact SD-CG 4.46Å; P214-R231 WeakPolarHBondContact CD-O 3.38Å; P214-E233 HydrophobicContact CG-CB 4.41Å
215V92.5Very high91.4Very high83 Ų8389.2 Ų89.250%0.50350%0.498SS..  trans-84.3119.5176.9179.60000108.8M213 V218 A228M213-V215 PolarHBondContact O-N 2.86Å; V215-V218 HydrophobicContact CG1-CG2 3.82Å; V215-A228 HydrophobicContact CG1-CB 4.11Å; V215-A228 HydrophobicContact CG2-CB 4.29Å
216E86.9Confident91.7Very high35 Ų3590.7 Ų90.716%0.16452%0.517CS..  trans-83.9-53.4173.8165.8-176.6-158.100110.8T65 H67 T94 Q98 T229T65-E216 PolarHBondContact OG1-OE1 3.41Å; T65-E216 VanDerWaalsContact OG1-OE1 3.08Å; H67-E216 IonicContact CD2-OE1 3.3Å; H67-E216 IonicContact CE1-OE1 3.57Å; H67-E216 IonicContact CE1-OE2 3.64Å; H67-E216 PolarHBondContact CE1-OE2 3.42Å; H67-E216 IonicContact NE2-OE1 2.76Å; H67-E216 PolarHBondContact NE2-OE1 3.31Å; H67-E216 IonicContact NE2-OE2 3.26Å; H67-E216 PolarHBondContact NE2-OE2 3.47Å; H67-E216 VanDerWaalsContact NE2-OE2 3.16Å; T94-E216 HydrophobicContact CG2-CB 4.05Å; T94-E216 HydrophobicContact CG2-CG 3.72Å; Q98-E216 PolarHBondContact NE2-OE1 2.72Å; Q98-E216 PolarHBondContact NE2-OE2 2.85Å; Q98-E216 PolarHBondContact OE1-OE2 2.97Å; E216-T229 PolarHBondContact N-O 2.85Å
217D87.1Confident91.9Very high77 Ų7789.6 Ų89.641%0.41251%0.512SS..EExtended strand (participates in β ladder)trans-147.9163.7-174.8-158.1-0.6000110.9F219 A228 T229D217-F219 HydrophobicContact CB-CE2 3.82Å; D217-F219 HydrophobicContact CB-CZ 3.92Å; D217-F219 WeakPolarHBondContact OD2-CE1 3.22Å; D217-F219 WeakPolarHBondContact OD2-CZ 3.4Å; D217-A228 WeakPolarHBondContact O-CA 3.39Å; D217-T229 PolarHBondContact O-N 3.41Å; D217-T229 PolarHBondContact O-OG1 3.41Å
218V91.9Very high92.1Very high83 Ų8388.9 Ų88.950%0.50351%0.513SS..EExtended strand (participates in β ladder)trans-133.3116.3-178.4-176.80000110.1V215 T226 V227V215-V218 HydrophobicContact CG1-CG2 3.82Å; V218-T226 HydrophobicContact CG1-CG2 3.48Å; V218-T226 VanDerWaalsContact CG1-CG2 3.48Å; V218-V227 WeakPolarHBondContact CA-O 3.45Å
219F88.4Confident92.1Very high101 Ų10183.5 Ų83.544%0.44349%0.486SS..EExtended strand (participates in β ladder)trans-108.5147.5178.6-55.5-82.6000111.6D217 T226 V227 T229D217-F219 HydrophobicContact CB-CE2 3.82Å; D217-F219 HydrophobicContact CB-CZ 3.92Å; D217-F219 WeakPolarHBondContact OD2-CE1 3.22Å; D217-F219 WeakPolarHBondContact OD2-CZ 3.4Å; F219-T226 WeakPolarHBondContact O-CA 3.24Å; F219-V227 PolarHBondContact N-O 3.09Å; F219-V227 PolarHBondContact O-N 2.98Å; F219-T229 HydrophobicContact CD2-CG2 3.87Å; F219-T229 HydrophobicContact CE2-CG2 3.73Å
220S91.6Very high92Very high108 Ų10880 Ų8076%0.75548%0.478SS*.EExtended strand (participates in β ladder)trans-101.8114.2165.5-164.40000109.6
221I89Confident91.7Very high73 Ų7377.3 Ų77.337%0.37446%0.455SS..EExtended strand (participates in β ladder)trans-99.6117.5178.8-58-174.5000109.5G223 R224 G225 V227I221-G223 PolarHBondContact O-N 3Å; I221-G223 VanDerWaalsContact O-N 3.13Å; I221-R224 HydrophobicContact CB-CB 4.08Å; I221-R224 HydrophobicContact CG2-CB 3.96Å; I221-R224 HydrophobicContact CG2-CG 4.06Å; I221-R224 PolarHBondContact O-N 3.35Å; I221-G225 PolarHBondContact N-O 3.25Å; I221-G225 PolarHBondContact O-N 3.48Å; I221-V227 HydrophobicContact CD1-CB 4.3Å; I221-V227 HydrophobicContact CD1-CG2 3.6Å; I221-V227 HydrophobicContact CG1-CG2 3.97Å
222T89.7Confident91.5Very high147 Ų14776.8 Ų76.890%0.90246%0.457SS*.THydrogen-bonded Turntrans-52.1118.7176.7-55.80000111.1R224T222-R224 VanDerWaalsContact C-N 3.35Å
223G92.2Very high91.3Very high88 Ų8877.6 Ų77.691%0.90746%0.46SS*.THydrogen-bonded Turntrans82.5-0.2179.400000115.9I221I221-G223 PolarHBondContact O-N 3Å; I221-G223 VanDerWaalsContact O-N 3.13Å
224R89.3Confident91.2Very high213 Ų21379.9 Ų79.980%0.80447%0.466SS*.THydrogen-bonded Turntrans-118.2-36.7172.9-66.6-167.8177.4-157.9-2.2113.7I221 T222I221-R224 HydrophobicContact CB-CB 4.08Å; I221-R224 HydrophobicContact CG2-CB 3.96Å; I221-R224 HydrophobicContact CG2-CG 4.06Å; I221-R224 PolarHBondContact O-N 3.35Å; T222-R224 VanDerWaalsContact C-N 3.35Å
225G93.2Very high91.3Very high34 Ų3476.8 Ų76.835%0.35145%0.447SS..EExtended strand (participates in β ladder)trans112.6-156.3-178.700000113.2I221I221-G225 PolarHBondContact N-O 3.25Å; I221-G225 PolarHBondContact O-N 3.48Å
226T95.3Very high91.3Very high115 Ų11578 Ų7871%0.70645%0.447SS*.EExtended strand (participates in β ladder)trans-79.9132.1-179.5-53.90000110.8V218 F219V218-T226 HydrophobicContact CG1-CG2 3.48Å; V218-T226 VanDerWaalsContact CG1-CG2 3.48Å; F219-T226 WeakPolarHBondContact O-CA 3.24Å
227V94Very high91.7Very high51 Ų5179.7 Ų79.731%0.30946%0.46SS..EExtended strand (participates in β ladder)trans-123.2117.9177.7178.40000108.4V218 F219 I221 T229V218-V227 WeakPolarHBondContact CA-O 3.45Å; F219-V227 PolarHBondContact N-O 3.09Å; F219-V227 PolarHBondContact O-N 2.98Å; I221-V227 HydrophobicContact CD1-CB 4.3Å; I221-V227 HydrophobicContact CD1-CG2 3.6Å; I221-V227 HydrophobicContact CG1-CG2 3.97Å; V227-T229 HydrophobicContact CG1-CG2 4.35Å
228A94.1Very high92.1Very high48 Ų4884.7 Ų84.740%0.39747%0.473SS..EExtended strand (participates in β ladder)trans-91.2131.6167.800000109.1V215 D217V215-A228 HydrophobicContact CG1-CB 4.11Å; V215-A228 HydrophobicContact CG2-CB 4.29Å; D217-A228 WeakPolarHBondContact O-CA 3.39Å
229T92Very high92.2Very high42 Ų4288.2 Ų88.226%0.25849%0.494SS..EExtended strand (participates in β ladder)trans-106.6155.9176.557.40000110.8E216 D217 F219 V227E216-T229 PolarHBondContact N-O 2.85Å; D217-T229 PolarHBondContact O-N 3.41Å; D217-T229 PolarHBondContact O-OG1 3.41Å; F219-T229 HydrophobicContact CD2-CG2 3.87Å; F219-T229 HydrophobicContact CE2-CG2 3.73Å; V227-T229 HydrophobicContact CG1-CG2 4.35Å
230G90.2Very high92.6Very high25 Ų2587 Ų8726%0.25851%0.51SS..  trans159.8164.3175.300000112.3
231R89.1Confident92.8Very high41 Ų4185.7 Ų85.716%0.15550%0.495CS..  trans-77.6128.8174-173.2-176.275178.93.8110.1N14 A97 Q98 D100 P214 E233N14-R231 WeakPolarHBondContact ND2-CD 3.18Å; A97-R231 PolarHBondContact O-NH2 3.3Å; Q98-R231 HydrophobicContact CB-CB 4.24Å; Q98-R231 HydrophobicContact CG-CB 4.12Å; Q98-R231 VanDerWaalsContact O-CD 3.29Å; Q98-R231 WeakPolarHBondContact O-CD 3.34Å; Q98-R231 PolarHBondContact O-NH1 3.33Å; D100-R231 IonicContact OD1-NH1 3.41Å; D100-R231 PolarHBondContact OD1-NH1 3.32Å; P214-R231 WeakPolarHBondContact CD-O 3.38Å; R231-E233 IonicContact CZ-OE2 2.67Å; R231-E233 IonicContact NE-OE2 2.78Å; R231-E233 IonicContact NH2-OE2 2.86Å; R231-E233 PolarHBondContact NH2-OE2 3.22Å; R231-E233 PolarHBondContact O-N 2.97Å; R231-E233 VanDerWaalsContact O-N 3.14Å
232V92.6Very high93.1Very high57 Ų5791.7 Ų91.735%0.34552%0.521SS..  trans-67.5113.4171.4-179.20000108.9F211 M213 R234F211-V232 HydrophobicContact CD2-CG1 3.96Å; F211-V232 HydrophobicContact CE2-CB 4.39Å; F211-V232 HydrophobicContact CE2-CG1 3.71Å; F211-V232 HydrophobicContact CE2-CG2 3.84Å; M213-V232 HydrophobicContact CB-CG2 4.48Å; M213-V232 HydrophobicContact CG-CG2 4.25Å; M213-V232 HydrophobicContact SD-CG2 4.19Å; V232-R234 WeakPolarHBondContact CG1-O 2.94Å
233E90.4Very high93.3Very high87 Ų8788.8 Ų88.841%0.40750%0.503SS..  trans-76-40.3-177.1-174.867.1-17300111M212 P214 R231M212-E233 HydrophobicContact CE-CG 4.33Å; M212-E233 PolarHBondContact O-N 3.08Å; M212-E233 HydrophobicContact SD-CB 3.92Å; M212-E233 HydrophobicContact SD-CG 4.07Å; P214-E233 HydrophobicContact CG-CB 4.41Å; R231-E233 IonicContact CZ-OE2 2.67Å; R231-E233 IonicContact NE-OE2 2.78Å; R231-E233 IonicContact NH2-OE2 2.86Å; R231-E233 PolarHBondContact NH2-OE2 3.22Å; R231-E233 PolarHBondContact O-N 2.97Å; R231-E233 VanDerWaalsContact O-N 3.14Å
234R93.3Very high93.5Very high99 Ų9994 Ų9437%0.37450%0.504SS..BIsolated β-bridgetrans-156.9160.4177.760.3174.2-167.7-152.1-2.9112.1D206 K209 P210 F211 M212 V232D206-R234 HydrophobicContact CB-CB 4.07Å; K209-R234 HydrophobicContact CB-CB 4.15Å; K209-R234 HydrophobicContact CB-CG 4.37Å; P210-R234 WeakPolarHBondContact O-CG 3.35Å; P210-R234 PolarHBondContact O-NE 3.37Å; F211-R234 WeakPolarHBondContact CA-O 3.37Å; M212-R234 HydrophobicContact CB-CG 3.79Å; M212-R234 HydrophobicContact CE-CG 4.41Å; M212-R234 PolarHBondContact N-O 3.45Å; M212-R234 PolarHBondContact O-N 2.92Å; V232-R234 WeakPolarHBondContact CG1-O 2.94Å
235G94.3Very high93.7Very high6 Ų694.9 Ų94.96%0.06252%0.522CS..SBendtrans74.1-163.2179.300000114.1D206 K209D206-G235 PolarHBondContact O-N 3.42Å; K209-G235 WeakPolarHBondContact O-CA 3.45Å
236Q93.8Very high93.7Very high107 Ų10797.9 Ų97.950%0.553%0.53SS..  trans-139.3147.4-179.6-62176.538.700109.4T207T207-Q236 PolarHBondContact O-NE2 3.27Å
237V95.3Very high93.6Very high72 Ų7297 Ų9744%0.43652%0.521SS..  trans-125.6139.1172.164.40000109.6F211 D241 V243F211-V237 HydrophobicContact CD1-CB 4.2Å; F211-V237 HydrophobicContact CD1-CG2 4.48Å; F211-V237 HydrophobicContact CD2-CB 3.72Å; F211-V237 HydrophobicContact CD2-CG1 4.09Å; F211-V237 HydrophobicContact CE1-CB 4.1Å; F211-V237 HydrophobicContact CE1-CG1 4.41Å; F211-V237 HydrophobicContact CE1-CG2 4.31Å; F211-V237 HydrophobicContact CE2-CB 3.61Å; F211-V237 HydrophobicContact CE2-CG1 3.48Å; F211-V237 VanDerWaalsContact CE2-CG1 3.48Å; F211-V237 HydrophobicContact CG-CB 4.01Å; F211-V237 HydrophobicContact CZ-CB 3.81Å; F211-V237 HydrophobicContact CZ-CG1 3.67Å; F211-V237 HydrophobicContact CZ-CG2 4.37Å; V237-D241 HydrophobicContact CG2-CB 4.26Å; V237-V243 HydrophobicContact CG2-CG1 4.28Å
238R94.3Very high93.6Very high181 Ų18199.6 Ų99.668%0.68353%0.533SS*.  trans-116.4157.3175.9-59.2177.2-179.71781.8109.8G240 D241R238-G240 PolarHBondContact O-N 3.24Å; R238-G240 VanDerWaalsContact O-N 3.15Å; R238-D241 WeakPolarHBondContact CB-OD2 3.37Å; R238-D241 PolarHBondContact N-OD2 3.32Å; R238-D241 WeakPolarHBondContact O-CB 3.37Å; R238-D241 PolarHBondContact O-N 2.65Å; R238-D241 VanDerWaalsContact O-N 3.13Å
239V95Very high93.5Very high158 Ų158102.6 Ų102.696%0.95854%0.541SS*.THydrogen-bonded Turntrans-62120174.8179.10000108.9
240G95.4Very high93.6Very high75 Ų75106.4 Ų106.477%0.77356%0.559SS**THydrogen-bonded Turntrans101.2-4.2-179.500000115R238R238-G240 PolarHBondContact O-N 3.24Å; R238-G240 VanDerWaalsContact O-N 3.15Å
241D95.7Very high93.9Very high81 Ų81111.8 Ų111.843%0.43358%0.579SS.*  trans-67.7139.6173.4-67.5-10.6000110.6V237 R238V237-D241 HydrophobicContact CG2-CB 4.26Å; R238-D241 WeakPolarHBondContact CB-OD2 3.37Å; R238-D241 PolarHBondContact N-OD2 3.32Å; R238-D241 WeakPolarHBondContact O-CB 3.37Å; R238-D241 PolarHBondContact O-N 2.65Å; R238-D241 VanDerWaalsContact O-N 3.13Å
242E95.6Very high94.2Very high198 Ų198116.9 Ų116.993%0.92561%0.609SS**  trans-77.8134.6169.3-69-175.2171.100109.6
243V95.2Very high94.3Very high87 Ų87121.5 Ų121.553%0.52763%0.629SS.*  trans-133.8157.1-180-62.30000110F211 V237F211-V243 HydrophobicContact CD1-CG1 4.06Å; F211-V243 HydrophobicContact CE1-CG1 4.19Å; V237-V243 HydrophobicContact CG2-CG1 4.28Å
244E95.1Very high94.7Very high197 Ų197124.3 Ų124.392%0.92165%0.648SS**  trans-106.3141.9174-64.6-178.5160.600109.5
245I92.9Very high94.8Very high231 Ų231126.6 Ų126.6100%1.18567%0.673SS**  trans-108.70173.4-57.3176000108.1

Retrieved 245 of 245 residues in 99.4 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).