A0A087X192_HUMAN Loading...

Aldehyde dehydrogenase 3 family member B1

AlphaFold DB , UniProt , Accession A0A087X192, Species HUMAN (Homo sapiens, Human), Gene ALDH3B1, Length 211 aa.

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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
1M34Very low33.1Very low239 Ų239144.7 Ų144.7100%1.17784%0.84SS**  083.90-61.7-166.4-72.400105.6
2A36Very low34.5Very low98 Ų98141.6 Ų141.681%0.8181%0.814SS**  73112.973.700000112
3E31.2Very low36.4Very low204 Ų204137.7 Ų137.795%0.95379%0.789SS**  trans145.9107.8151-84.1176.1-172.300106.7
4G30.4Very low39.8Very low77 Ų77134 Ų13479%0.79477%0.772SS**  cis125.465.534.100000106.4G6G4-G6 PolarHBondContact O-N 3.09Å; G4-G6 VanDerWaalsContact O-N 3.09Å
5S35.5Very low43.1Very low121 Ų121127.9 Ų127.985%0.84674%0.736SS**  trans-70.4107.4179.569.40000108.9A7S5-A7 PolarHBondContact O-N 2.98Å
6G29Very low46.1Very low70 Ų70122.1 Ų122.172%0.72271%0.712SS**  trans-52110.1176.900000111.3G4 R8G4-G6 PolarHBondContact O-N 3.09Å; G4-G6 VanDerWaalsContact O-N 3.09Å; G6-R8 PolarHBondContact O-N 3.03Å
7A31.6Very low48.9Very low90 Ų90118.7 Ų118.774%0.74469%0.691SS**  trans-58.5120161.500000107.1S5 V9S5-A7 PolarHBondContact O-N 2.98Å; A7-V9 PolarHBondContact O-N 3.23Å
8R31.9Very low51.5Low228 Ų228112.8 Ų112.886%0.8666%0.657SS**  trans-61.9107.3173.6-68.4-178.4-171.2-178.12.5107.5G6 F10G6-R8 PolarHBondContact O-N 3.03Å; R8-F10 PolarHBondContact O-N 3.02Å
9V30.5Very low53.9Low119 Ų119107.2 Ų107.272%0.72162%0.624SS**  trans-64.5103.7166.9178.70000106A7 M11A7-V9 PolarHBondContact O-N 3.23Å; V9-M11 PolarHBondContact O-N 3.06Å
10F37.6Very low56Low168 Ų168109 Ų10974%0.73762%0.619SS**  trans-62.3106.3164.2-83-90.7000106.2R8 M12R8-F10 PolarHBondContact O-N 3.02Å; F10-M12 VanDerWaalsContact C-N 3.3Å; F10-M12 PolarHBondContact O-N 3.41Å
11M36.7Very low58Low178 Ų178107.4 Ų107.488%0.87760%0.604SS**  trans-65.796173-74.5-145158.400108V9 D13V9-M11 PolarHBondContact O-N 3.06Å; M11-D13 PolarHBondContact O-N 3.28Å
12M49.1Very low61.1Low107 Ų10796 Ų9653%0.52755%0.548SS..  trans-58.6129.5155.1-71.2161.3106.500106.2F10 V176F10-M12 VanDerWaalsContact C-N 3.3Å; F10-M12 PolarHBondContact O-N 3.41Å; M12-V176 WeakPolarHBondContact CE-O 3.31Å
13D60.1Low64Low91 Ų9194.2 Ų94.249%0.48752%0.52SS..  trans-44.2140.3167.3-68.9-38.3000108.7M11 L15 D17 T18M11-D13 PolarHBondContact O-N 3.28Å; D13-L15 PolarHBondContact O-N 3.49Å; D13-D17 HydrophobicContact CB-CB 4.18Å; D13-T18 PolarHBondContact O-OG1 2.87Å
14P83.9Confident67.2Low86 Ų8690.2 Ų90.256%0.55850%0.501SS*.  trans-42.8136174.7-28.234.3000110.1G16 D17 T18P14-G16 PolarHBondContact O-N 3.41Å; P14-D17 WeakPolarHBondContact O-CA 3.46Å; P14-D17 WeakPolarHBondContact O-CB 3.15Å; P14-D17 PolarHBondContact O-N 2.97Å; P14-T18 PolarHBondContact O-N 2.97Å; P14-T18 VanDerWaalsContact O-N 3.17Å
15L88.6Confident70.4Confident43 Ų4386.9 Ų86.923%0.22547%0.466CS..Hα-helixtrans-46.3-41.6-172.3176.260.6000112.3D13 D17 T18 L19 V177 Q186 L187D13-L15 PolarHBondContact O-N 3.49Å; L15-D17 PolarHBondContact O-N 2.95Å; L15-T18 WeakPolarHBondContact O-CB 3.41Å; L15-T18 PolarHBondContact O-N 3.36Å; L15-L19 HydrophobicContact CD1-CD1 4.18Å; L15-L19 HydrophobicContact CD1-CD2 4.4Å; L15-L19 HydrophobicContact CD1-CG 4.09Å; L15-L19 HydrophobicContact CG-CD1 4.14Å; L15-L19 HydrophobicContact CG-CG 4.42Å; L15-L19 VanDerWaalsContact O-CG 3.3Å; L15-L19 WeakPolarHBondContact O-CG 3.48Å; L15-L19 PolarHBondContact O-N 2.69Å; L15-V177 HydrophobicContact CD1-CG2 4.05Å; L15-Q186 HydrophobicContact CD2-CB 4.46Å; L15-L187 HydrophobicContact CD1-CD2 3.73Å; L15-L187 HydrophobicContact CD2-CD2 4.22Å; L15-L187 HydrophobicContact CD2-CG 4.41Å
16G91.2Very high73.4Confident35 Ų3582.3 Ų82.336%0.36143%0.431SS..Hα-helixtrans-58.7-39.6175.600000114.9P14 R20P14-G16 PolarHBondContact O-N 3.41Å; G16-R20 VanDerWaalsContact O-CB 3.28Å; G16-R20 WeakPolarHBondContact O-CB 2.97Å; G16-R20 PolarHBondContact O-N 2.76Å
17D93.9Very high76.7Confident64 Ų6485.9 Ų85.934%0.34243%0.429SS..Hα-helixtrans-71.4-40.4177.9-66.7-24.8000111.4D13 P14 L15 R20 R21D13-D17 HydrophobicContact CB-CB 4.18Å; P14-D17 WeakPolarHBondContact O-CA 3.46Å; P14-D17 WeakPolarHBondContact O-CB 3.15Å; P14-D17 PolarHBondContact O-N 2.97Å; L15-D17 PolarHBondContact O-N 2.95Å; D17-R20 PolarHBondContact O-N 3.31Å; D17-R20 IonicContact OD1-CZ 3.48Å; D17-R20 IonicContact OD1-NE 3.69Å; D17-R20 IonicContact OD1-NH2 2.69Å; D17-R20 PolarHBondContact OD1-NH2 3.17Å; D17-R21 WeakPolarHBondContact O-CB 3.28Å; D17-R21 PolarHBondContact O-N 3.17Å
18T95.3Very high79.9Confident13 Ų1385.3 Ų85.38%0.0842%0.424CS..Hα-helixtrans-56.5-52.2171.7-69.30000110.9D13 P14 L15 R20 R21 L22 A175D13-T18 PolarHBondContact O-OG1 2.87Å; P14-T18 PolarHBondContact O-N 2.97Å; P14-T18 VanDerWaalsContact O-N 3.17Å; L15-T18 WeakPolarHBondContact O-CB 3.41Å; L15-T18 PolarHBondContact O-N 3.36Å; T18-R20 VanDerWaalsContact C-N 3.33Å; T18-R20 PolarHBondContact O-N 2.97Å; T18-R21 PolarHBondContact O-N 2.89Å; T18-L22 HydrophobicContact CG2-CD1 4.18Å; T18-L22 VanDerWaalsContact O-CG 3.3Å; T18-L22 WeakPolarHBondContact O-CG 3.45Å; T18-L22 PolarHBondContact O-N 3.28Å; T18-L22 VanDerWaalsContact O-N 3.16Å; T18-A175 HydrophobicContact CG2-CB 3.56Å
19L96.9Very high83Confident6 Ų675.2 Ų75.23%0.03139%0.39CS..Hα-helixtrans-64.7-38.3-178.6-63.1179.5000112.2L15 L22 R23 L118 V147 H190 F192L15-L19 HydrophobicContact CD1-CD1 4.18Å; L15-L19 HydrophobicContact CD1-CD2 4.4Å; L15-L19 HydrophobicContact CD1-CG 4.09Å; L15-L19 HydrophobicContact CG-CD1 4.14Å; L15-L19 HydrophobicContact CG-CG 4.42Å; L15-L19 VanDerWaalsContact O-CG 3.3Å; L15-L19 WeakPolarHBondContact O-CG 3.48Å; L15-L19 PolarHBondContact O-N 2.69Å; L19-L22 PolarHBondContact O-N 3.32Å; L19-R23 WeakPolarHBondContact O-CG 3.46Å; L19-R23 PolarHBondContact O-N 3.02Å; L19-R23 VanDerWaalsContact O-N 3.09Å; L19-L118 HydrophobicContact CD2-CD2 4.11Å; L19-V147 HydrophobicContact CD2-CG2 3.74Å; L19-H190 HydrophobicContact CD1-CB 3.61Å; L19-H190 VanDerWaalsContact CD1-CD2 3.47Å; L19-H190 WeakPolarHBondContact CD1-CD2 3.39Å; L19-F192 HydrophobicContact CD2-CE1 4.16Å; L19-F192 HydrophobicContact CD2-CZ 3.92Å
20R97Very high86.2Confident142 Ų14275.8 Ų75.854%0.53638%0.38SS..Hα-helixtrans-60.6-50.2176.5-168.5-165.6-37.4-147.76.6111.4G16 D17 T18 L22 R23 E24G16-R20 VanDerWaalsContact O-CB 3.28Å; G16-R20 WeakPolarHBondContact O-CB 2.97Å; G16-R20 PolarHBondContact O-N 2.76Å; D17-R20 PolarHBondContact O-N 3.31Å; D17-R20 IonicContact OD1-CZ 3.48Å; D17-R20 IonicContact OD1-NE 3.69Å; D17-R20 IonicContact OD1-NH2 2.69Å; D17-R20 PolarHBondContact OD1-NH2 3.17Å; T18-R20 VanDerWaalsContact C-N 3.33Å; T18-R20 PolarHBondContact O-N 2.97Å; R20-L22 VanDerWaalsContact C-N 3.31Å; R20-L22 PolarHBondContact O-N 2.72Å; R20-R23 PolarHBondContact O-N 3.4Å; R20-R23 VanDerWaalsContact O-N 3.17Å; R20-E24 WeakPolarHBondContact O-CG 3.3Å; R20-E24 PolarHBondContact O-N 3.47Å
21R97.4Very high89.1Confident76 Ų7667.8 Ų67.829%0.28735%0.345SS..Hα-helixtrans-55.9-45.1178177.6177.252.668.3-12.7112D17 T18 E24 A25 Q171D17-R21 WeakPolarHBondContact O-CB 3.28Å; D17-R21 PolarHBondContact O-N 3.17Å; T18-R21 PolarHBondContact O-N 2.89Å; R21-E24 PolarHBondContact O-N 2.85Å; R21-A25 WeakPolarHBondContact O-CB 3.5Å; R21-A25 PolarHBondContact O-N 3.2Å; R21-Q171 PolarHBondContact NH1-O 3.28Å
22L98.4Very high92Very high0 Ų066.6 Ų66.60%033%0.331CS..Hα-helixtrans-63.9-42.3179.1-64.5173.4000111.9T18 L19 R20 A25 F26 L118 C145 V147 A175T18-L22 HydrophobicContact CG2-CD1 4.18Å; T18-L22 VanDerWaalsContact O-CG 3.3Å; T18-L22 WeakPolarHBondContact O-CG 3.45Å; T18-L22 PolarHBondContact O-N 3.28Å; T18-L22 VanDerWaalsContact O-N 3.16Å; L19-L22 PolarHBondContact O-N 3.32Å; R20-L22 VanDerWaalsContact C-N 3.31Å; R20-L22 PolarHBondContact O-N 2.72Å; L22-A25 PolarHBondContact O-N 3.46Å; L22-F26 PolarHBondContact O-N 3.01Å; L22-L118 HydrophobicContact CB-CD1 3.69Å; L22-L118 HydrophobicContact CD1-CD1 3.86Å; L22-L118 HydrophobicContact CG-CD1 4.39Å; L22-C145 HydrophobicContact CB-CB 4.28Å; L22-C145 PolarHBondContact O-SG 2.89Å; L22-C145 VanDerWaalsContact O-SG 3.33Å; L22-V147 HydrophobicContact CD1-CG2 3.47Å; L22-V147 VanDerWaalsContact CD1-CG2 3.47Å; L22-A175 HydrophobicContact CD1-CB 3.99Å
23R98.3Very high94.4Very high61 Ų6164.5 Ų64.523%0.2333%0.325CS..Hα-helixtrans-64.4-45176-71.2-177.6-171.4-75.60.5112.3L19 R20 A25 F26 H27 L118 R191 D193L19-R23 WeakPolarHBondContact O-CG 3.46Å; L19-R23 PolarHBondContact O-N 3.02Å; L19-R23 VanDerWaalsContact O-N 3.09Å; R20-R23 PolarHBondContact O-N 3.4Å; R20-R23 VanDerWaalsContact O-N 3.17Å; R23-A25 VanDerWaalsContact C-N 3.29Å; R23-A25 PolarHBondContact O-N 3.01Å; R23-F26 PolarHBondContact O-N 2.87Å; R23-H27 WeakPolarHBondContact O-CB 3.29Å; R23-H27 PolarHBondContact O-CD2 3.23Å; R23-H27 PolarHBondContact O-N 3.09Å; R23-L118 HydrophobicContact CG-CD2 4.05Å; R23-R191 PolarHBondContact NH2-O 2.93Å; R23-D193 IonicContact NH1-OD2 3.9Å
24E98.2Very high96.2Very high119 Ų11960.7 Ų60.756%0.55631%0.306SS*.Hα-helixtrans-60.2-42.5178.2-73.3172.9179.800110.8R20 R21 F26 H27 A28R20-E24 WeakPolarHBondContact O-CG 3.3Å; R20-E24 PolarHBondContact O-N 3.47Å; R21-E24 PolarHBondContact O-N 2.85Å; E24-F26 PolarHBondContact O-N 3.32Å; E24-H27 PolarHBondContact O-N 2.74Å; E24-A28 VanDerWaalsContact O-CB 3.26Å; E24-A28 WeakPolarHBondContact O-CB 3.49Å; E24-A28 PolarHBondContact O-N 3.19Å
25A98.1Very high96.9Very high7 Ų761.8 Ų61.86%0.05830%0.304CS..Hα-helixtrans-61.7-42.9174.800000112.6R21 L22 R23 R30 S172R21-A25 WeakPolarHBondContact O-CB 3.5Å; R21-A25 PolarHBondContact O-N 3.2Å; L22-A25 PolarHBondContact O-N 3.46Å; R23-A25 VanDerWaalsContact C-N 3.29Å; R23-A25 PolarHBondContact O-N 3.01Å; A25-R30 WeakPolarHBondContact O-CB 3.25Å; A25-R30 PolarHBondContact O-N 3.49Å; A25-S172 WeakPolarHBondContact CB-O 2.79Å
26F98.5Very high97.4Very high26 Ų2661.6 Ų61.611%0.11430%0.301CS..Hα-helixtrans-63-48.9175.3-179.2-103.7000112.1L22 R23 E24 A28 G29 P115 G117L22-F26 PolarHBondContact O-N 3.01Å; R23-F26 PolarHBondContact O-N 2.87Å; E24-F26 PolarHBondContact O-N 3.32Å; F26-A28 VanDerWaalsContact C-N 3.3Å; F26-A28 PolarHBondContact O-N 3.41Å; F26-G29 WeakPolarHBondContact O-CA 3.3Å; F26-G29 PolarHBondContact O-N 2.93Å; F26-P115 HydrophobicContact CE2-CB 3.81Å; F26-P115 HydrophobicContact CE2-CG 3.64Å; F26-P115 HydrophobicContact CZ-CB 4.17Å; F26-P115 HydrophobicContact CZ-CG 3.87Å; F26-G117 VanDerWaalsContact CE1-CA 3.49Å; F26-G117 VanDerWaalsContact CZ-CA 3.41Å
27H98.3Very high97.7Very high145 Ų14560.8 Ų60.867%0.67129%0.287SS*.Hα-helixtrans-65.8-31.6-179.5-71.1-50.8000112.8R23 E24 G29R23-H27 WeakPolarHBondContact O-CB 3.29Å; R23-H27 PolarHBondContact O-CD2 3.23Å; R23-H27 PolarHBondContact O-N 3.09Å; E24-H27 PolarHBondContact O-N 2.74Å; H27-G29 PolarHBondContact O-N 3.02Å; H27-G29 VanDerWaalsContact O-N 3.17Å
28A98.1Very high98Very high77 Ų7758.8 Ų58.864%0.63628%0.28SS*.THydrogen-bonded Turntrans-67.8-5.9170.400000113.3E24 F26 R30E24-A28 VanDerWaalsContact O-CB 3.26Å; E24-A28 WeakPolarHBondContact O-CB 3.49Å; E24-A28 PolarHBondContact O-N 3.19Å; F26-A28 VanDerWaalsContact C-N 3.3Å; F26-A28 PolarHBondContact O-N 3.41Å; A28-R30 VanDerWaalsContact C-N 3.31Å; A28-R30 HydrophobicContact CB-CG 4.4Å; A28-R30 PolarHBondContact O-N 3.42Å
29G97.8Very high98.1Very high16 Ų1660.1 Ų60.117%0.16529%0.292CS..THydrogen-bonded Turntrans7714177.100000114.2F26 H27 T31 R32F26-G29 WeakPolarHBondContact O-CA 3.3Å; F26-G29 PolarHBondContact O-N 2.93Å; H27-G29 PolarHBondContact O-N 3.02Å; H27-G29 VanDerWaalsContact O-N 3.17Å; G29-T31 PolarHBondContact O-N 3.39Å; G29-R32 WeakPolarHBondContact O-CB 3.42Å; G29-R32 PolarHBondContact O-N 3.45Å
30R97.6Very high98.2Very high131 Ų13160.5 Ų60.549%0.49429%0.294SS..THydrogen-bonded Turntrans-55.7-37.3-177.1-73.7-175.1157.5-153.7-4.2113A25 A28 R32 P33 F36 S172A25-R30 WeakPolarHBondContact O-CB 3.25Å; A25-R30 PolarHBondContact O-N 3.49Å; A28-R30 VanDerWaalsContact C-N 3.31Å; A28-R30 HydrophobicContact CB-CG 4.4Å; A28-R30 PolarHBondContact O-N 3.42Å; R30-R32 VanDerWaalsContact C-N 3.34Å; R30-P33 WeakPolarHBondContact O-CD 3.43Å; R30-F36 VanDerWaalsContact O-CG 3.32Å; R30-F36 WeakPolarHBondContact O-CG 3.32Å; R30-S172 PolarHBondContact NH1-OG 3.29Å
31T98.2Very high98.3Very high1 Ų153.8 Ų53.81%0.00627%0.268CS..THydrogen-bonded Turntrans-83.6-6.4-17763.10000114.1G29 F36 R37 G143 C173G29-T31 PolarHBondContact O-N 3.39Å; T31-F36 HydrophobicContact CG2-CE1 3.94Å; T31-R37 WeakPolarHBondContact O-CG 3.38Å; T31-R37 PolarHBondContact O-NE 2.99Å; T31-R37 VanDerWaalsContact O-NE 3.13Å; T31-G143 WeakPolarHBondContact CB-O 3.46Å; T31-G143 PolarHBondContact OG1-O 2.94Å; T31-C173 HydrophobicContact CG2-CB 4Å; T31-C173 VanDerWaalsContact CG2-SG 3.57Å
32R97.4Very high98.4Very high153 Ų15355 Ų5558%0.57728%0.277SS*.  trans-69-46.5-174.6-66.8-177.9173.8-143.5-4.5113.8G29 R30 R37G29-R32 WeakPolarHBondContact O-CB 3.42Å; G29-R32 PolarHBondContact O-N 3.45Å; R30-R32 VanDerWaalsContact C-N 3.34Å; R32-R37 PolarHBondContact O-NE 3.11Å; R32-R37 PolarHBondContact O-NH2 3.1Å; R32-R37 VanDerWaalsContact O-NH2 3.07Å
33P98.4Very high98.4Very high62 Ų6255 Ų5540%0.40328%0.277SS..SBendtrans-62.3142.2-174.7-23.335.3000113.1R30 E35 F36 R37R30-P33 WeakPolarHBondContact O-CD 3.43Å; P33-E35 PolarHBondContact O-N 2.89Å; P33-F36 HydrophobicContact CB-CB 4.41Å; P33-F36 PolarHBondContact O-N 3.04Å; P33-R37 WeakPolarHBondContact O-CG 3.37Å; P33-R37 PolarHBondContact O-N 3.42Å
34A98.3Very high98.4Very high12 Ų1252.1 Ų52.110%0.09927%0.266CS..Hα-helixtrans-62.4-33.6178.500000111.7R37 A38 M93A34-R37 PolarHBondContact O-N 3.17Å; A34-A38 WeakPolarHBondContact O-CB 3.42Å; A34-A38 PolarHBondContact O-N 3.38Å; A34-M93 HydrophobicContact CB-CE 3.84Å; A34-M93 HydrophobicContact CB-SD 3.74Å
35E98.6Very high98.5Very high109 Ų10946.7 Ų46.751%0.50924%0.243SC..Hα-helixtrans-64.5-42.5179.5-64.166.8-145.700111P33 A38 A39 R90P33-E35 PolarHBondContact O-N 2.89Å; E35-A38 PolarHBondContact O-N 3.42Å; E35-A39 WeakPolarHBondContact O-CB 3.42Å; E35-A39 PolarHBondContact O-N 2.75Å; E35-R90 IonicContact OE1-CZ 2.92Å; E35-R90 IonicContact OE1-NH1 3.75Å; E35-R90 IonicContact OE1-NH2 2.75Å; E35-R90 PolarHBondContact OE1-NH2 3.42Å
36F98.7Very high98.5Very high39 Ų3951.1 Ų51.117%0.17126%0.258CS..Hα-helixtrans-61.7-49.8175.5-179.4-89.4000110.6R30 T31 P33 A38 A39 Q40 D170 C173R30-F36 VanDerWaalsContact O-CG 3.32Å; R30-F36 WeakPolarHBondContact O-CG 3.32Å; T31-F36 HydrophobicContact CG2-CE1 3.94Å; P33-F36 HydrophobicContact CB-CB 4.41Å; P33-F36 PolarHBondContact O-N 3.04Å; F36-A38 PolarHBondContact O-N 3.45Å; F36-A39 WeakPolarHBondContact O-CB 3.29Å; F36-A39 PolarHBondContact O-N 3.3Å; F36-A39 VanDerWaalsContact O-N 3.17Å; F36-Q40 HydrophobicContact CD1-CG 4.05Å; F36-Q40 HydrophobicContact CE1-CG 3.68Å; F36-Q40 HydrophobicContact CZ-CG 4.12Å; F36-Q40 WeakPolarHBondContact O-CG 3.45Å; F36-Q40 PolarHBondContact O-N 2.93Å; F36-Q40 VanDerWaalsContact O-N 3.09Å; F36-D170 HydrophobicContact CE2-CB 4.04Å; F36-D170 HydrophobicContact CZ-CB 3.9Å; F36-C173 HydrophobicContact CE1-CB 4.49Å; F36-C173 HydrophobicContact CZ-CB 4.15Å
37R98.8Very high98.5Very high17 Ų1749.9 Ų49.96%0.06425%0.253CS..Hα-helixtrans-60.4-44.4179.8-58.1-177.5-157.8-165.70.8111.7T31 R32 P33 A34 A39 Q40 L41 L89 A141 A142T31-R37 WeakPolarHBondContact O-CG 3.38Å; T31-R37 PolarHBondContact O-NE 2.99Å; T31-R37 VanDerWaalsContact O-NE 3.13Å; R32-R37 PolarHBondContact O-NE 3.11Å; R32-R37 PolarHBondContact O-NH2 3.1Å; R32-R37 VanDerWaalsContact O-NH2 3.07Å; P33-R37 WeakPolarHBondContact O-CG 3.37Å; P33-R37 PolarHBondContact O-N 3.42Å; A34-R37 PolarHBondContact O-N 3.17Å; R37-A39 VanDerWaalsContact C-N 3.33Å; R37-A39 PolarHBondContact O-N 3.35Å; R37-Q40 PolarHBondContact O-N 2.69Å; R37-L41 WeakPolarHBondContact O-CG 3.47Å; R37-L41 PolarHBondContact O-N 3.09Å; R37-L41 VanDerWaalsContact O-N 3.07Å; R37-L89 HydrophobicContact CB-CD1 4.33Å; R37-L89 HydrophobicContact CB-CD2 4.03Å; R37-A141 WeakPolarHBondContact CD-O 3.43Å; R37-A141 PolarHBondContact NH1-O 3.44Å; R37-A142 PolarHBondContact NH1-O 3.16Å
38A98.9Very high98.5Very high22 Ų2243.1 Ų43.118%0.18222%0.221CC..Hα-helixtrans-60.6-41.5176.100000111.9A34 E35 F36 Q40 L41 Q42 L86 L89A34-A38 WeakPolarHBondContact O-CB 3.42Å; A34-A38 PolarHBondContact O-N 3.38Å; E35-A38 PolarHBondContact O-N 3.42Å; F36-A38 PolarHBondContact O-N 3.45Å; A38-Q40 VanDerWaalsContact C-N 3.34Å; A38-Q40 PolarHBondContact O-N 2.92Å; A38-L41 PolarHBondContact O-N 2.89Å; A38-Q42 WeakPolarHBondContact O-CB 3.38Å; A38-Q42 VanDerWaalsContact O-CG 3.25Å; A38-Q42 WeakPolarHBondContact O-CG 3.31Å; A38-Q42 PolarHBondContact O-N 3.49Å; A38-L86 HydrophobicContact CB-CD2 4.24Å; A38-L89 HydrophobicContact CB-CD2 3.9Å
39A98.9Very high98.5Very high41 Ų4145.5 Ų45.534%0.33922%0.219SC..Hα-helixtrans-62-40.4177.100000112.2E35 F36 R37 Q42 G43E35-A39 WeakPolarHBondContact O-CB 3.42Å; E35-A39 PolarHBondContact O-N 2.75Å; F36-A39 WeakPolarHBondContact O-CB 3.29Å; F36-A39 PolarHBondContact O-N 3.3Å; F36-A39 VanDerWaalsContact O-N 3.17Å; R37-A39 VanDerWaalsContact C-N 3.33Å; R37-A39 PolarHBondContact O-N 3.35Å; A39-Q42 PolarHBondContact O-N 3.06Å; A39-G43 PolarHBondContact O-N 2.63Å
40Q98.9Very high98.6Very high15 Ų1550.4 Ų50.47%0.0724%0.238CC..Hα-helixtrans-63.8-45.1175.5-54.1-42.8-55.400111.8F36 R37 A38 G43 L44 L140F36-Q40 HydrophobicContact CD1-CG 4.05Å; F36-Q40 HydrophobicContact CE1-CG 3.68Å; F36-Q40 HydrophobicContact CZ-CG 4.12Å; F36-Q40 WeakPolarHBondContact O-CG 3.45Å; F36-Q40 PolarHBondContact O-N 2.93Å; F36-Q40 VanDerWaalsContact O-N 3.09Å; R37-Q40 PolarHBondContact O-N 2.69Å; A38-Q40 VanDerWaalsContact C-N 3.34Å; A38-Q40 PolarHBondContact O-N 2.92Å; Q40-G43 WeakPolarHBondContact O-CA 3.26Å; Q40-G43 PolarHBondContact O-N 2.85Å; Q40-G43 VanDerWaalsContact O-N 3.17Å; Q40-L44 PolarHBondContact O-N 3.43Å; Q40-L140 HydrophobicContact CB-CD1 4.11Å; Q40-L140 HydrophobicContact CB-CD2 4.23Å; Q40-L140 HydrophobicContact CG-CD2 4.38Å
41L98.9Very high98.6Very high0 Ų045.3 Ų45.30%022%0.22CC..Hα-helixtrans-64.3-41.5178.1-67.7173.3000112R37 A38 G43 L44 G45 V82 A85 L86 L89 V137 L140 A141R37-L41 WeakPolarHBondContact O-CG 3.47Å; R37-L41 PolarHBondContact O-N 3.09Å; R37-L41 VanDerWaalsContact O-N 3.07Å; A38-L41 PolarHBondContact O-N 2.89Å; L41-G43 VanDerWaalsContact C-N 3.29Å; L41-G43 PolarHBondContact O-N 2.97Å; L41-L44 PolarHBondContact O-N 3.07Å; L41-G45 PolarHBondContact O-N 3.08Å; L41-V82 WeakPolarHBondContact O-CG1 3.46Å; L41-A85 HydrophobicContact CD1-CB 3.85Å; L41-A85 HydrophobicContact CD2-CB 4.24Å; L41-L86 HydrophobicContact CB-CD1 4.46Å; L41-L86 HydrophobicContact CB-CD2 3.67Å; L41-L86 HydrophobicContact CB-CG 3.88Å; L41-L86 HydrophobicContact CD1-CD2 4.15Å; L41-L86 HydrophobicContact CD1-CG 4.36Å; L41-L89 HydrophobicContact CD1-CD2 4.44Å; L41-V137 HydrophobicContact CD2-CB 4.28Å; L41-V137 HydrophobicContact CD2-CG1 3.76Å; L41-V137 HydrophobicContact CD2-CG2 4.36Å; L41-L140 HydrophobicContact CD2-CB 4.36Å; L41-A141 HydrophobicContact CD1-CB 4.19Å
42Q98.9Very high98.6Very high101 Ų10149 Ų4947%0.47224%0.237SC..Hα-helixtrans-63-38.2172.7-72.7168.2-12.500111.5A38 A39 G45 R46 L86A38-Q42 WeakPolarHBondContact O-CB 3.38Å; A38-Q42 VanDerWaalsContact O-CG 3.25Å; A38-Q42 WeakPolarHBondContact O-CG 3.31Å; A38-Q42 PolarHBondContact O-N 3.49Å; A39-Q42 PolarHBondContact O-N 3.06Å; Q42-G45 PolarHBondContact O-N 3.42Å; Q42-R46 PolarHBondContact O-N 2.99Å; Q42-R46 PolarHBondContact O-NH1 3.43Å; Q42-L86 HydrophobicContact CG-CD1 4.02Å; Q42-L86 HydrophobicContact CG-CD2 3.92Å
43G98.9Very high98.7Very high0 Ų047.5 Ų47.50%024%0.236CC..Hα-helixtrans-56-50.9171.600000112.3A39 Q40 L41 G45 R46 F47 Y168A39-G43 PolarHBondContact O-N 2.63Å; Q40-G43 WeakPolarHBondContact O-CA 3.26Å; Q40-G43 PolarHBondContact O-N 2.85Å; Q40-G43 VanDerWaalsContact O-N 3.17Å; L41-G43 VanDerWaalsContact C-N 3.29Å; L41-G43 PolarHBondContact O-N 2.97Å; G43-G45 VanDerWaalsContact C-N 3.32Å; G43-G45 PolarHBondContact O-N 3.44Å; G43-R46 PolarHBondContact O-N 2.79Å; G43-R46 VanDerWaalsContact O-N 3.16Å; G43-F47 PolarHBondContact O-N 2.81Å; G43-Y168 VanDerWaalsContact CA-O 3.27Å; G43-Y168 WeakPolarHBondContact CA-O 3.32Å
44L98.8Very high98.7Very high1 Ų148.1 Ų48.11%0.00524%0.235CC..Hα-helixtrans-58.5-41.6174.4-87.3168.2000113.2Q40 L41 F47 L48 V82 L133 L136 V137 L140 L165 V169Q40-L44 PolarHBondContact O-N 3.43Å; L41-L44 PolarHBondContact O-N 3.07Å; L44-F47 WeakPolarHBondContact O-CB 3.46Å; L44-F47 PolarHBondContact O-N 3.49Å; L44-L48 WeakPolarHBondContact O-CG 3.47Å; L44-L48 PolarHBondContact O-N 3.25Å; L44-V82 HydrophobicContact CB-CG2 4Å; L44-L133 HydrophobicContact CD2-CD2 4Å; L44-L136 HydrophobicContact CD1-CD2 4Å; L44-L136 HydrophobicContact CD1-CG 4.07Å; L44-L136 HydrophobicContact CD2-CD2 3.87Å; L44-L136 HydrophobicContact CG-CD2 4.47Å; L44-V137 HydrophobicContact CD1-CG2 4.02Å; L44-L140 HydrophobicContact CD1-CD1 3.4Å; L44-L140 VanDerWaalsContact CD1-CD1 3.4Å; L44-L140 HydrophobicContact CG-CD1 4.4Å; L44-L165 HydrophobicContact CD2-CD1 3.59Å; L44-V169 HydrophobicContact CG-CG1 4.19Å
45G98.8Very high98.7Very high6 Ų647.6 Ų47.66%0.06223%0.231CC..Hα-helixtrans-60.6-44.1174.600000112.4L41 Q42 G43 L48 Q49 Q79L41-G45 PolarHBondContact O-N 3.08Å; Q42-G45 PolarHBondContact O-N 3.42Å; G43-G45 VanDerWaalsContact C-N 3.32Å; G43-G45 PolarHBondContact O-N 3.44Å; G45-L48 PolarHBondContact O-N 2.97Å; G45-Q49 VanDerWaalsContact O-CG 3.31Å; G45-Q49 WeakPolarHBondContact O-CG 3.4Å; G45-Q49 PolarHBondContact O-N 3.06Å; G45-Q49 VanDerWaalsContact O-N 3.09Å; G45-Q79 PolarHBondContact O-OE1 2.54Å
46R98.9Very high98.7Very high100 Ų10043 Ų4338%0.37721%0.21SC..Hα-helixtrans-64.1-43.4174.8-73.4-167.8-55-75.90.5112Q42 G43 L48 Q49 E50 Y168Q42-R46 PolarHBondContact O-N 2.99Å; Q42-R46 PolarHBondContact O-NH1 3.43Å; G43-R46 PolarHBondContact O-N 2.79Å; G43-R46 VanDerWaalsContact O-N 3.16Å; R46-L48 VanDerWaalsContact C-N 3.32Å; R46-L48 PolarHBondContact O-N 3.1Å; R46-Q49 PolarHBondContact O-N 2.88Å; R46-E50 VanDerWaalsContact O-CB 3.3Å; R46-E50 WeakPolarHBondContact O-CB 3.5Å; R46-E50 WeakPolarHBondContact O-CG 3.48Å; R46-E50 PolarHBondContact O-N 2.87Å; R46-Y168 HydrophobicContact CB-CD1 3.8Å; R46-Y168 HydrophobicContact CB-CE1 3.84Å
47F98.9Very high98.7Very high0 Ų044.6 Ų44.60%022%0.22CC..Hα-helixtrans-53.2-49.9175.8166.5-106.1000111.3G43 L44 N51 L55 L133 I160 L161 V164 L165 Y168G43-F47 PolarHBondContact O-N 2.81Å; L44-F47 WeakPolarHBondContact O-CB 3.46Å; L44-F47 PolarHBondContact O-N 3.49Å; F47-N51 VanDerWaalsContact O-CB 3.26Å; F47-N51 WeakPolarHBondContact O-CB 3.4Å; F47-N51 PolarHBondContact O-N 3.24Å; F47-N51 PolarHBondContact O-ND2 3.4Å; F47-L55 HydrophobicContact CE1-CD1 4.42Å; F47-L55 HydrophobicContact CE1-CD2 4.35Å; F47-L55 HydrophobicContact CZ-CD2 3.9Å; F47-L133 HydrophobicContact CE1-CD1 4.16Å; F47-I160 HydrophobicContact CE2-CG2 4.03Å; F47-I160 HydrophobicContact CZ-CG2 4.01Å; F47-L161 HydrophobicContact CE1-CD2 4.36Å; F47-L161 HydrophobicContact CZ-CD2 4.24Å; F47-V164 HydrophobicContact CD2-CG1 4.1Å; F47-V164 HydrophobicContact CE2-CB 4.1Å; F47-V164 HydrophobicContact CE2-CG1 3.91Å; F47-L165 HydrophobicContact CB-CD1 4.22Å; F47-L165 HydrophobicContact CD1-CD1 3.84Å; F47-L165 HydrophobicContact CD2-CB 4.22Å; F47-L165 HydrophobicContact CD2-CD1 4.22Å; F47-L165 HydrophobicContact CE1-CD1 4.24Å; F47-L165 HydrophobicContact CE2-CB 3.95Å; F47-L165 HydrophobicContact CG-CD1 3.81Å; F47-L165 HydrophobicContact CZ-CB 4.11Å; F47-Y168 HydrophobicContact CB-CD1 3.98Å; F47-Y168 HydrophobicContact CB-CD2 3.85Å; F47-Y168 HydrophobicContact CB-CE1 4.46Å; F47-Y168 HydrophobicContact CB-CE2 4.34Å; F47-Y168 HydrophobicContact CB-CG 3.65Å; F47-Y168 AromaticContact CD2-CD2 3.85Å; F47-Y168 HydrophobicContact CD2-CD2 3.85Å; F47-Y168 HydrophobicContact CD2-CE2 4.06Å; F47-Y168 HydrophobicContact CG-CD2 4.32Å
48L98.7Very high98.7Very high2 Ų244 Ų441%0.0122%0.218CC..Hα-helixtrans-63.7-41.8179.4-72.8167.8000112.8L44 G45 R46 K52 L55 V75 Q79 V82 L133L44-L48 WeakPolarHBondContact O-CG 3.47Å; L44-L48 PolarHBondContact O-N 3.25Å; G45-L48 PolarHBondContact O-N 2.97Å; R46-L48 VanDerWaalsContact C-N 3.32Å; R46-L48 PolarHBondContact O-N 3.1Å; L48-K52 PolarHBondContact O-N 3.28Å; L48-L55 HydrophobicContact CD2-CD1 4.14Å; L48-V75 HydrophobicContact CD2-CG1 4.36Å; L48-Q79 HydrophobicContact CD1-CB 4.17Å; L48-V82 HydrophobicContact CD1-CG2 4.37Å; L48-L133 HydrophobicContact CD2-CD1 3.68Å; L48-L133 HydrophobicContact CG-CD1 4.42Å
49Q98.4Very high98.7Very high128 Ų12842.9 Ų42.960%0.59821%0.209SC*.Hα-helixtrans-74.8-48.7-176.3-71.6177.4-7.600112.7G45 R46 N51G45-Q49 VanDerWaalsContact O-CG 3.31Å; G45-Q49 WeakPolarHBondContact O-CG 3.4Å; G45-Q49 PolarHBondContact O-N 3.06Å; G45-Q49 VanDerWaalsContact O-N 3.09Å; R46-Q49 PolarHBondContact O-N 2.88Å; Q49-N51 VanDerWaalsContact C-N 3.34Å
50E98.8Very high98.7Very high118 Ų11842.8 Ų42.855%0.55121%0.208SC*.Hα-helixtrans-73.1-28.7-174.7-65.4172.4-161.600112R46 Y168R46-E50 VanDerWaalsContact O-CB 3.3Å; R46-E50 WeakPolarHBondContact O-CB 3.5Å; R46-E50 WeakPolarHBondContact O-CG 3.48Å; R46-E50 PolarHBondContact O-N 2.87Å; E50-Y168 WeakPolarHBondContact OE2-CE1 3.37Å; E50-Y168 PolarHBondContact OE2-OH 3.44Å
51N98.6Very high98.7Very high24 Ų2447.6 Ų47.613%0.12823%0.231CC..THydrogen-bonded Turntrans-105.114.2-177.7-56-81.9000113.1F47 Q49 Q53 L54 L55 Y168F47-N51 VanDerWaalsContact O-CB 3.26Å; F47-N51 WeakPolarHBondContact O-CB 3.4Å; F47-N51 PolarHBondContact O-N 3.24Å; F47-N51 PolarHBondContact O-ND2 3.4Å; Q49-N51 VanDerWaalsContact C-N 3.34Å; N51-Q53 VanDerWaalsContact C-N 3.35Å; N51-Q53 PolarHBondContact O-N 3.25Å; N51-L54 HydrophobicContact CB-CB 4.45Å; N51-L54 HydrophobicContact CB-CD2 4.46Å; N51-L54 WeakPolarHBondContact O-CB 3.39Å; N51-L54 PolarHBondContact O-N 3.45Å; N51-L55 HydrophobicContact CB-CD1 4.47Å; N51-L55 HydrophobicContact CB-CG 4.38Å; N51-L55 VanDerWaalsContact O-CG 3.31Å; N51-L55 WeakPolarHBondContact O-CG 3.37Å; N51-L55 PolarHBondContact O-N 2.93Å; N51-Y168 WeakPolarHBondContact ND2-CE2 3.48Å; N51-Y168 PolarHBondContact ND2-OH 3.4Å; N51-Y168 VanDerWaalsContact ND2-OH 3.07Å
52K97.8Very high98.7Very high80 Ų8049.3 Ų49.335%0.34824%0.24SC..Hα-helixtrans-50.4-49.4-173.6-177175.1-177.61530113.8L48 L55 H56 E71L48-K52 PolarHBondContact O-N 3.28Å; K52-L55 PolarHBondContact O-N 2.98Å; K52-H56 VanDerWaalsContact CE-CE1 3.49Å; K52-H56 WeakPolarHBondContact CE-CE1 3.44Å; K52-H56 PolarHBondContact O-CD2 2.94Å; K52-H56 PolarHBondContact O-N 2.9Å; K52-E71 WeakPolarHBondContact CE-OE2 3.46Å; K52-E71 IonicContact NZ-OE1 2.86Å; K52-E71 PolarHBondContact NZ-OE1 3.07Å; K52-E71 IonicContact NZ-OE2 3.44Å; K52-E71 PolarHBondContact NZ-OE2 3.23Å
53Q98.4Very high98.6Very high121 Ų12146.4 Ų46.457%0.56523%0.227SC*.Hα-helixtrans-64.6-44.2-179.9-172.660.247.800111.4N51 L55 H56 D57N51-Q53 VanDerWaalsContact C-N 3.35Å; N51-Q53 PolarHBondContact O-N 3.25Å; Q53-L55 VanDerWaalsContact C-N 3.28Å; Q53-L55 PolarHBondContact O-N 2.91Å; Q53-H56 PolarHBondContact O-N 2.89Å; Q53-D57 PolarHBondContact NE2-OD1 3.34Å; Q53-D57 PolarHBondContact O-N 3.42Å
54L98.6Very high98.6Very high75 Ų7554.3 Ų54.339%0.39326%0.264SS..Hα-helixtrans-58.2-41.9176.7176.764.4000111.6N51 D57 A58 I160 V164N51-L54 HydrophobicContact CB-CB 4.45Å; N51-L54 HydrophobicContact CB-CD2 4.46Å; N51-L54 WeakPolarHBondContact O-CB 3.39Å; N51-L54 PolarHBondContact O-N 3.45Å; L54-D57 PolarHBondContact O-N 3.19Å; L54-A58 WeakPolarHBondContact O-CB 2.9Å; L54-A58 PolarHBondContact O-N 3.46Å; L54-I160 HydrophobicContact CD1-CD1 4.06Å; L54-I160 HydrophobicContact CD1-CG1 4.45Å; L54-I160 HydrophobicContact CD2-CD1 4.32Å; L54-I160 HydrophobicContact CD2-CG1 4.21Å; L54-I160 HydrophobicContact CD2-CG2 4.33Å; L54-I160 HydrophobicContact CG-CD1 3.73Å; L54-I160 HydrophobicContact CG-CG1 4.14Å; L54-V164 HydrophobicContact CD2-CG2 4.29Å
55L98.8Very high98.5Very high0 Ų054.9 Ų54.90%027%0.266CS..Hα-helixtrans-65.7-43.6177.1-66.4171000111.9F47 L48 N51 K52 Q53 A58 L59 L129 I160F47-L55 HydrophobicContact CE1-CD1 4.42Å; F47-L55 HydrophobicContact CE1-CD2 4.35Å; F47-L55 HydrophobicContact CZ-CD2 3.9Å; L48-L55 HydrophobicContact CD2-CD1 4.14Å; N51-L55 HydrophobicContact CB-CD1 4.47Å; N51-L55 HydrophobicContact CB-CG 4.38Å; N51-L55 VanDerWaalsContact O-CG 3.31Å; N51-L55 WeakPolarHBondContact O-CG 3.37Å; N51-L55 PolarHBondContact O-N 2.93Å; K52-L55 PolarHBondContact O-N 2.98Å; Q53-L55 VanDerWaalsContact C-N 3.28Å; Q53-L55 PolarHBondContact O-N 2.91Å; L55-A58 PolarHBondContact O-N 3.03Å; L55-L59 VanDerWaalsContact O-CG 3.3Å; L55-L59 WeakPolarHBondContact O-CG 3.3Å; L55-L59 PolarHBondContact O-N 3.07Å; L55-L129 HydrophobicContact CB-CD1 3.96Å; L55-L129 HydrophobicContact CD1-CD1 4.31Å; L55-L129 HydrophobicContact CD2-CD1 3.81Å; L55-L129 HydrophobicContact CD2-CD2 3.9Å; L55-L129 HydrophobicContact CG-CD1 4.24Å; L55-I160 HydrophobicContact CD2-CG2 3.81Å
56H98.7Very high98.5Very high14 Ų1457.5 Ų57.57%0.06528%0.284CS..Hα-helixtrans-62.4-44175.6-69.1176.8000112.1K52 Q53 A58 L59 A60 E71K52-H56 VanDerWaalsContact CE-CE1 3.49Å; K52-H56 WeakPolarHBondContact CE-CE1 3.44Å; K52-H56 PolarHBondContact O-CD2 2.94Å; K52-H56 PolarHBondContact O-N 2.9Å; Q53-H56 PolarHBondContact O-N 2.89Å; H56-A58 VanDerWaalsContact C-N 3.31Å; H56-A58 PolarHBondContact O-N 2.86Å; H56-L59 PolarHBondContact O-N 3.18Å; H56-A60 WeakPolarHBondContact O-CB 3.19Å; H56-A60 PolarHBondContact O-N 2.9Å; H56-E71 IonicContact CE1-OE2 3.78Å; H56-E71 IonicContact NE2-OE2 3.52Å; H56-E71 PolarHBondContact NE2-OE2 3.5Å
57D98.8Very high98.4Very high72 Ų7255.5 Ų55.539%0.38529%0.289SS..Hα-helixtrans-64.6-37.8-179.8-65.7-19.3000111.4Q53 L54 A60 Q61Q53-D57 PolarHBondContact NE2-OD1 3.34Å; Q53-D57 PolarHBondContact O-N 3.42Å; L54-D57 PolarHBondContact O-N 3.19Å; D57-A60 PolarHBondContact O-N 3.36Å; D57-Q61 VanDerWaalsContact O-CG 3.26Å; D57-Q61 WeakPolarHBondContact O-CG 3.36Å; D57-Q61 PolarHBondContact O-N 3.01Å; D57-Q61 PolarHBondContact O-NE2 3.29Å
58A98.8Very high98.4Very high3 Ų363 Ų633%0.02532%0.322CS..Hα-helixtrans-68.1-42.317500000112.5L54 L55 H56 A60 Q61 D62 N156 V157 I160L54-A58 WeakPolarHBondContact O-CB 2.9Å; L54-A58 PolarHBondContact O-N 3.46Å; L55-A58 PolarHBondContact O-N 3.03Å; H56-A58 VanDerWaalsContact C-N 3.31Å; H56-A58 PolarHBondContact O-N 2.86Å; A58-A60 VanDerWaalsContact C-N 3.31Å; A58-A60 PolarHBondContact O-N 3.34Å; A58-Q61 PolarHBondContact O-N 2.89Å; A58-D62 WeakPolarHBondContact O-CB 3.41Å; A58-D62 PolarHBondContact O-N 3.42Å; A58-N156 HydrophobicContact CB-CB 3.74Å; A58-V157 HydrophobicContact CB-CG2 3.96Å; A58-I160 HydrophobicContact CB-CD1 3.34Å
59L98.8Very high98.4Very high0 Ų066.8 Ų66.80%034%0.339CS..Hα-helixtrans-63.4-37.6175-72.8166.7000112L55 H56 Q61 L63 H64 S70 E74 P128 L129 V157L55-L59 VanDerWaalsContact O-CG 3.3Å; L55-L59 WeakPolarHBondContact O-CG 3.3Å; L55-L59 PolarHBondContact O-N 3.07Å; H56-L59 PolarHBondContact O-N 3.18Å; L59-Q61 VanDerWaalsContact C-N 3.34Å; L59-L63 HydrophobicContact CD2-CD1 3.9Å; L59-L63 WeakPolarHBondContact O-CA 3.26Å; L59-L63 WeakPolarHBondContact O-CB 3.44Å; L59-L63 PolarHBondContact O-N 3.07Å; L59-H64 PolarHBondContact O-N 3.33Å; L59-S70 WeakPolarHBondContact CB-OG 3.42Å; L59-E74 HydrophobicContact CD1-CB 4.03Å; L59-E74 HydrophobicContact CD1-CG 3.86Å; L59-E74 HydrophobicContact CD2-CG 4.2Å; L59-P128 HydrophobicContact CD2-CG 3.83Å; L59-L129 HydrophobicContact CD1-CD1 3.85Å; L59-L129 HydrophobicContact CG-CD1 4.35Å; L59-V157 HydrophobicContact CD2-CG2 3.91Å; L59-V157 HydrophobicContact CG-CG2 4.16Å
60A98.7Very high98.4Very high39 Ų3960.7 Ų60.732%0.32231%0.311SS..Hα-helixtrans-66-36.9174.100000112.1H56 D57 A58 H64H56-A60 WeakPolarHBondContact O-CB 3.19Å; H56-A60 PolarHBondContact O-N 2.9Å; D57-A60 PolarHBondContact O-N 3.36Å; A58-A60 VanDerWaalsContact C-N 3.31Å; A58-A60 PolarHBondContact O-N 3.34Å; A60-H64 WeakPolarHBondContact O-CA 3.24Å; A60-H64 PolarHBondContact O-N 3.48Å; A60-H64 PolarHBondContact O-ND1 2.9Å
61Q98.7Very high98.4Very high116 Ų11657.3 Ų57.354%0.54230%0.295SS..Hα-helixtrans-71.7-41.4177.1-75.1169.973.200112.8D57 A58 L59 N156D57-Q61 VanDerWaalsContact O-CG 3.26Å; D57-Q61 WeakPolarHBondContact O-CG 3.36Å; D57-Q61 PolarHBondContact O-N 3.01Å; D57-Q61 PolarHBondContact O-NE2 3.29Å; A58-Q61 PolarHBondContact O-N 2.89Å; L59-Q61 VanDerWaalsContact C-N 3.34Å; Q61-N156 PolarHBondContact OE1-OD1 3.34Å
62D98.4Very high98.3Very high36 Ų3659.5 Ų59.519%0.19331%0.309CS..Hα-helixtrans-82.1-36.2-176.3-73-20.7000112.9A58 S154 K155 N156 V157A58-D62 WeakPolarHBondContact O-CB 3.41Å; A58-D62 PolarHBondContact O-N 3.42Å; D62-S154 WeakPolarHBondContact OD2-CA 3.33Å; D62-K155 PolarHBondContact OD1-N 2.91Å; D62-K155 PolarHBondContact OD2-N 3.07Å; D62-N156 WeakPolarHBondContact OD1-CB 3.44Å; D62-N156 PolarHBondContact OD1-N 3.28Å; D62-N156 VanDerWaalsContact OD1-N 3.09Å; D62-N156 PolarHBondContact OD1-ND2 3.02Å; D62-N156 PolarHBondContact OD2-N 2.86Å; D62-V157 WeakPolarHBondContact OD2-CG2 3.43Å; D62-V157 PolarHBondContact OD2-N 2.85Å
63L98.3Very high98.3Very high39 Ų3956.6 Ų56.620%0.20430%0.299CS..Hα-helixtrans-128.8-2.6-166.8-67.4154.1000113.7L59 K65 W125 P128L59-L63 HydrophobicContact CD2-CD1 3.9Å; L59-L63 WeakPolarHBondContact O-CA 3.26Å; L59-L63 WeakPolarHBondContact O-CB 3.44Å; L59-L63 PolarHBondContact O-N 3.07Å; L63-K65 HydrophobicContact CB-CD 4.38Å; L63-K65 HydrophobicContact CB-CG 3.92Å; L63-K65 HydrophobicContact CD1-CD 4.36Å; L63-K65 PolarHBondContact O-N 3.43Å; L63-K65 VanDerWaalsContact O-N 3.13Å; L63-W125 HydrophobicContact CD2-CE3 3.83Å; L63-W125 HydrophobicContact CD2-CZ3 3.99Å; L63-P128 HydrophobicContact CD1-CG 3.82Å
64H98.1Very high98.3Very high167 Ų16750.9 Ų50.977%0.77327%0.272SS*.  trans55.524.1-172.1-56.3-52.6000114.1L59 A60L59-H64 PolarHBondContact O-N 3.33Å; A60-H64 WeakPolarHBondContact O-CA 3.24Å; A60-H64 PolarHBondContact O-N 3.48Å; A60-H64 PolarHBondContact O-ND1 2.9Å
65K97.3Very high98.3Very high12 Ų1247.6 Ų47.65%0.05226%0.255CS..  trans-67.3134.1174.6-72.5-173.6-176.6176.70109.9L63 E69 S70 E74 N126L63-K65 HydrophobicContact CB-CD 4.38Å; L63-K65 HydrophobicContact CB-CG 3.92Å; L63-K65 HydrophobicContact CD1-CD 4.36Å; L63-K65 PolarHBondContact O-N 3.43Å; L63-K65 VanDerWaalsContact O-N 3.13Å; K65-E69 HydrophobicContact CD-CG 4.35Å; K65-E69 HydrophobicContact CG-CG 4.33Å; K65-S70 WeakPolarHBondContact CB-OG 3.38Å; K65-E74 IonicContact NZ-OE1 2.71Å; K65-E74 PolarHBondContact NZ-OE1 3.47Å; K65-N126 PolarHBondContact NZ-O 2.94Å
66S98.3Very high98.3Very high61 Ų6149.6 Ų49.643%0.42727%0.272SS..  trans-64.3159.2169.869.80000110.6F68 E69 S70S66-F68 PolarHBondContact O-N 3.5Å; S66-E69 PolarHBondContact O-N 3.2Å; S66-E69 WeakPolarHBondContact OG-CB 3.44Å; S66-E69 PolarHBondContact OG-N 3Å; S66-E69 VanDerWaalsContact OG-N 3.13Å; S66-S70 WeakPolarHBondContact O-CB 3.41Å; S66-S70 PolarHBondContact O-N 2.66Å; S66-S70 PolarHBondContact O-OG 2.85Å
67A97.6Very high98.3Very high59 Ų5952.6 Ų52.649%0.48829%0.288SS..Hα-helixtrans-58.3-36.8175.500000112.2E71A67-E71 WeakPolarHBondContact O-CB 3.15Å; A67-E71 PolarHBondContact O-N 3.04Å
68F98.1Very high98.3Very high158 Ų15849.2 Ų49.269%0.69327%0.27SS*.Hα-helixtrans-65.7-47.8176.5177.4-102.3000111.9S66 E71 V72S66-F68 PolarHBondContact O-N 3.5Å; F68-E71 PolarHBondContact O-N 3.21Å; F68-V72 HydrophobicContact CD2-CG1 4.32Å; F68-V72 HydrophobicContact CE1-CG1 4.4Å; F68-V72 HydrophobicContact CE1-CG2 4.43Å; F68-V72 HydrophobicContact CE2-CG1 3.87Å; F68-V72 HydrophobicContact CZ-CG1 3.92Å; F68-V72 WeakPolarHBondContact O-CG2 3.33Å; F68-V72 PolarHBondContact O-N 3.36Å
69E98.2Very high98.3Very high80 Ų8050.9 Ų50.937%0.37428%0.277SS..Hα-helixtrans-63.1-43.4177.7-175-175.1174.800111.8K65 S66 E71 V72 S73K65-E69 HydrophobicContact CD-CG 4.35Å; K65-E69 HydrophobicContact CG-CG 4.33Å; S66-E69 PolarHBondContact O-N 3.2Å; S66-E69 WeakPolarHBondContact OG-CB 3.44Å; S66-E69 PolarHBondContact OG-N 3Å; S66-E69 VanDerWaalsContact OG-N 3.13Å; E69-E71 VanDerWaalsContact C-N 3.3Å; E69-E71 PolarHBondContact O-N 2.89Å; E69-V72 PolarHBondContact O-N 3.33Å; E69-S73 VanDerWaalsContact O-CB 3.32Å; E69-S73 WeakPolarHBondContact O-CB 3.38Å; E69-S73 PolarHBondContact O-N 2.79Å; E69-S73 PolarHBondContact O-OG 3.28Å
70S98.3Very high98.3Very high0 Ų052.7 Ų52.70%030%0.296CS..Hα-helixtrans-57.6-44.8175.1-62.80000111.1L59 K65 S66 E74 V75L59-S70 WeakPolarHBondContact CB-OG 3.42Å; K65-S70 WeakPolarHBondContact CB-OG 3.38Å; S66-S70 WeakPolarHBondContact O-CB 3.41Å; S66-S70 PolarHBondContact O-N 2.66Å; S66-S70 PolarHBondContact O-OG 2.85Å; S70-E74 WeakPolarHBondContact O-CB 3.34Å; S70-E74 PolarHBondContact O-N 3.18Å; S70-E74 VanDerWaalsContact O-N 3.11Å; S70-V75 PolarHBondContact O-N 2.56Å
71E98.4Very high98.3Very high48 Ų4853.6 Ų53.622%0.22429%0.293CS..Iπ-helixtrans-61-56.3177.9177.466173.900111.6K52 H56 A67 F68 E69 S73 V75 A76K52-E71 WeakPolarHBondContact CE-OE2 3.46Å; K52-E71 IonicContact NZ-OE1 2.86Å; K52-E71 PolarHBondContact NZ-OE1 3.07Å; K52-E71 IonicContact NZ-OE2 3.44Å; K52-E71 PolarHBondContact NZ-OE2 3.23Å; H56-E71 IonicContact CE1-OE2 3.78Å; H56-E71 IonicContact NE2-OE2 3.52Å; H56-E71 PolarHBondContact NE2-OE2 3.5Å; A67-E71 WeakPolarHBondContact O-CB 3.15Å; A67-E71 PolarHBondContact O-N 3.04Å; F68-E71 PolarHBondContact O-N 3.21Å; E69-E71 VanDerWaalsContact C-N 3.3Å; E69-E71 PolarHBondContact O-N 2.89Å; E71-S73 PolarHBondContact O-N 3.23Å; E71-V75 PolarHBondContact O-N 3.44Å; E71-A76 HydrophobicContact CG-CB 4.45Å; E71-A76 WeakPolarHBondContact O-CB 3.48Å; E71-A76 PolarHBondContact O-N 2.97Å
72V98.1Very high98.3Very high69 Ų6948.1 Ų48.142%0.41827%0.268SS..Iπ-helixtrans-75.8-25.6-169.1-58.10000113.5F68 E69 I77F68-V72 HydrophobicContact CD2-CG1 4.32Å; F68-V72 HydrophobicContact CE1-CG1 4.4Å; F68-V72 HydrophobicContact CE1-CG2 4.43Å; F68-V72 HydrophobicContact CE2-CG1 3.87Å; F68-V72 HydrophobicContact CZ-CG1 3.92Å; F68-V72 WeakPolarHBondContact O-CG2 3.33Å; F68-V72 PolarHBondContact O-N 3.36Å; E69-V72 PolarHBondContact O-N 3.33Å; V72-I77 WeakPolarHBondContact O-CD1 3.46Å; V72-I77 WeakPolarHBondContact O-CG1 3.38Å
73S97.7Very high98.3Very high20 Ų2050 Ų5014%0.1428%0.281CS..Iπ-helixtrans-102.9-13-176.172.30000114.8E69 E71E69-S73 VanDerWaalsContact O-CB 3.32Å; E69-S73 WeakPolarHBondContact O-CB 3.38Å; E69-S73 PolarHBondContact O-N 2.79Å; E69-S73 PolarHBondContact O-OG 3.28Å; E71-S73 PolarHBondContact O-N 3.23Å
74E98.6Very high98.3Very high0 Ų051.2 Ų51.20%029%0.287CS..Iπ-helixtrans-127.6-64.9-175.1-53.7-91.2-162.400112L59 K65 S70 S78 Y127 P128 L129 N130L59-E74 HydrophobicContact CD1-CB 4.03Å; L59-E74 HydrophobicContact CD1-CG 3.86Å; L59-E74 HydrophobicContact CD2-CG 4.2Å; K65-E74 IonicContact NZ-OE1 2.71Å; K65-E74 PolarHBondContact NZ-OE1 3.47Å; S70-E74 WeakPolarHBondContact O-CB 3.34Å; S70-E74 PolarHBondContact O-N 3.18Å; S70-E74 VanDerWaalsContact O-N 3.11Å; E74-S78 WeakPolarHBondContact O-CB 3.27Å; E74-S78 PolarHBondContact O-N 3.17Å; E74-S78 PolarHBondContact O-OG 3.2Å; E74-Y127 WeakPolarHBondContact OE1-CA 3.39Å; E74-Y127 VanDerWaalsContact OE2-C 3.24Å; E74-Y127 WeakPolarHBondContact OE2-CA 3.35Å; E74-P128 VanDerWaalsContact OE1-CD 3.3Å; E74-P128 WeakPolarHBondContact OE1-CD 3.3Å; E74-L129 HydrophobicContact CB-CB 4.12Å; E74-L129 HydrophobicContact CB-CD1 4.41Å; E74-L129 PolarHBondContact OE2-N 3.4Å; E74-N130 WeakPolarHBondContact OE2-CB 3.43Å; E74-N130 PolarHBondContact OE2-N 3.3Å
75V98.4Very high98.4Very high6 Ų643.3 Ų43.34%0.03625%0.251CS..Iπ-helixtrans-75.6-51.3-167.2178.90000111L48 S70 E71 I77 S78 Q79 L129L48-V75 HydrophobicContact CD2-CG1 4.36Å; S70-V75 PolarHBondContact O-N 2.56Å; E71-V75 PolarHBondContact O-N 3.44Å; V75-I77 VanDerWaalsContact C-N 3.34Å; V75-I77 PolarHBondContact O-N 3.06Å; V75-S78 PolarHBondContact O-N 3.07Å; V75-Q79 WeakPolarHBondContact O-CB 3.45Å; V75-Q79 PolarHBondContact O-N 3.43Å; V75-L129 HydrophobicContact CG2-CD1 4.32Å
76A98.3Very high98.4Very high43 Ų4345.6 Ų45.636%0.35526%0.263SS..Hα-helixtrans-65.3-37.2-177.100000112.3E71 Q79 G80E71-A76 HydrophobicContact CG-CB 4.45Å; E71-A76 WeakPolarHBondContact O-CB 3.48Å; E71-A76 PolarHBondContact O-N 2.97Å; A76-Q79 PolarHBondContact O-N 2.9Å; A76-G80 PolarHBondContact O-N 3.01Å
77I98.1Very high98.5Very high77 Ų7751.8 Ų51.840%0.39528%0.277SS..Hα-helixtrans-63.5-50.4175.4-65.2179.1000110V72 V75 Q79 G80 E81 N130 V134V72-I77 WeakPolarHBondContact O-CD1 3.46Å; V72-I77 WeakPolarHBondContact O-CG1 3.38Å; V75-I77 VanDerWaalsContact C-N 3.34Å; V75-I77 PolarHBondContact O-N 3.06Å; I77-Q79 VanDerWaalsContact C-N 3.32Å; I77-Q79 PolarHBondContact O-N 3.45Å; I77-G80 PolarHBondContact O-N 3.27Å; I77-G80 VanDerWaalsContact O-N 3.15Å; I77-E81 PolarHBondContact O-N 3.33Å; I77-N130 WeakPolarHBondContact CG2-OD1 3.43Å; I77-V134 HydrophobicContact CG2-CG2 4.23Å
78S98.4Very high98.5Very high1 Ų150.9 Ų50.91%0.00726%0.264CS..Hα-helixtrans-60.9-41.6178.8-56.40000111.7E74 V75 G80 E81 V82E74-S78 WeakPolarHBondContact O-CB 3.27Å; E74-S78 PolarHBondContact O-N 3.17Å; E74-S78 PolarHBondContact O-OG 3.2Å; V75-S78 PolarHBondContact O-N 3.07Å; S78-G80 VanDerWaalsContact C-N 3.34Å; S78-E81 PolarHBondContact O-N 2.84Å; S78-V82 WeakPolarHBondContact O-CG2 3.31Å; S78-V82 PolarHBondContact O-N 3.4Å
79Q98.8Very high98.5Very high37 Ų3743.7 Ų43.717%0.17323%0.233CC..Hα-helixtrans-65.4-38.1176.4-175.262.355.400112.1G45 L48 V75 A76 I77 V82 T83G45-Q79 PolarHBondContact O-OE1 2.54Å; L48-Q79 HydrophobicContact CD1-CB 4.17Å; V75-Q79 WeakPolarHBondContact O-CB 3.45Å; V75-Q79 PolarHBondContact O-N 3.43Å; A76-Q79 PolarHBondContact O-N 2.9Å; I77-Q79 VanDerWaalsContact C-N 3.32Å; I77-Q79 PolarHBondContact O-N 3.45Å; Q79-V82 PolarHBondContact O-N 2.98Å; Q79-T83 WeakPolarHBondContact O-CB 3.45Å; Q79-T83 PolarHBondContact O-N 2.85Å; Q79-T83 PolarHBondContact O-OG1 3.39Å
80G98.8Very high98.5Very high38 Ų3847.9 Ų47.939%0.39225%0.245SC..Hα-helixtrans-60.9-44.2173.700000111.7A76 I77 S78 T83 L84A76-G80 PolarHBondContact O-N 3.01Å; I77-G80 PolarHBondContact O-N 3.27Å; I77-G80 VanDerWaalsContact O-N 3.15Å; S78-G80 VanDerWaalsContact C-N 3.34Å; G80-T83 WeakPolarHBondContact O-CB 3.18Å; G80-T83 PolarHBondContact O-N 2.95Å; G80-L84 WeakPolarHBondContact O-CB 3.26Å; G80-L84 PolarHBondContact O-N 2.92Å
81E98.8Very high98.5Very high58 Ų5851.1 Ų51.127%0.27127%0.272SS..Hα-helixtrans-65-43.4178-166.561.7-158.100112I77 S78 T83 L84 A85 V134 V137I77-E81 PolarHBondContact O-N 3.33Å; S78-E81 PolarHBondContact O-N 2.84Å; E81-T83 VanDerWaalsContact C-N 3.29Å; E81-T83 PolarHBondContact O-N 2.77Å; E81-L84 PolarHBondContact O-N 2.96Å; E81-A85 WeakPolarHBondContact O-CB 3.3Å; E81-A85 PolarHBondContact O-N 2.85Å; E81-V134 HydrophobicContact CB-CG2 4.22Å; E81-V134 HydrophobicContact CG-CG1 4.16Å; E81-V134 HydrophobicContact CG-CG2 4.38Å; E81-V137 HydrophobicContact CB-CG1 4.5Å; E81-V137 HydrophobicContact CG-CB 4.04Å; E81-V137 HydrophobicContact CG-CG1 3.76Å
82V98.9Very high98.5Very high1 Ų154.4 Ų54.41%0.00628%0.282CS..Hα-helixtrans-55.5-46.8171.9169.70000110.9L41 L44 L48 S78 Q79 A85 L86 V137L41-V82 WeakPolarHBondContact O-CG1 3.46Å; L44-V82 HydrophobicContact CB-CG2 4Å; L48-V82 HydrophobicContact CD1-CG2 4.37Å; S78-V82 WeakPolarHBondContact O-CG2 3.31Å; S78-V82 PolarHBondContact O-N 3.4Å; Q79-V82 PolarHBondContact O-N 2.98Å; V82-A85 PolarHBondContact O-N 3.2Å; V82-L86 HydrophobicContact CG1-CD1 3.87Å; V82-L86 HydrophobicContact CG1-CG 4.48Å; V82-L86 WeakPolarHBondContact O-CB 3.44Å; V82-L86 WeakPolarHBondContact O-CG 3.16Å; V82-L86 PolarHBondContact O-N 3.17Å; V82-V137 HydrophobicContact CG2-CG2 3.54Å
83T98.8Very high98.5Very high77 Ų7753.7 Ų53.747%0.47228%0.275SS..Hα-helixtrans-64.6-43.3-178.7-55.90000111.3Q79 G80 E81 L86 R87Q79-T83 WeakPolarHBondContact O-CB 3.45Å; Q79-T83 PolarHBondContact O-N 2.85Å; Q79-T83 PolarHBondContact O-OG1 3.39Å; G80-T83 WeakPolarHBondContact O-CB 3.18Å; G80-T83 PolarHBondContact O-N 2.95Å; E81-T83 VanDerWaalsContact C-N 3.29Å; E81-T83 PolarHBondContact O-N 2.77Å; T83-L86 PolarHBondContact O-N 3.09Å; T83-R87 WeakPolarHBondContact O-CB 3.49Å; T83-R87 PolarHBondContact O-N 3.46Å
84L98.9Very high98.5Very high63 Ų6360 Ų6033%0.3330%0.3SS..Hα-helixtrans-60.8-47.2176.2-178.470.1000110.9G80 E81 R87 N88 W92G80-L84 WeakPolarHBondContact O-CB 3.26Å; G80-L84 PolarHBondContact O-N 2.92Å; E81-L84 PolarHBondContact O-N 2.96Å; L84-R87 PolarHBondContact O-N 2.78Å; L84-N88 VanDerWaalsContact CD1-ND2 3.33Å; L84-N88 WeakPolarHBondContact CD1-ND2 3.3Å; L84-N88 PolarHBondContact O-N 2.66Å; L84-N88 VanDerWaalsContact O-N 3.14Å; L84-N88 PolarHBondContact O-ND2 3.13Å; L84-W92 HydrophobicContact CG-CH2 4.23Å; L84-W92 HydrophobicContact CG-CZ2 4.37Å
85A98.8Very high98.5Very high1 Ų162.4 Ų62.41%0.00831%0.313CS..Hα-helixtrans-62.3-48179.500000111.5L41 E81 V82 R87 N88 L89 W92 V137 A141L41-A85 HydrophobicContact CD1-CB 3.85Å; L41-A85 HydrophobicContact CD2-CB 4.24Å; E81-A85 WeakPolarHBondContact O-CB 3.3Å; E81-A85 PolarHBondContact O-N 2.85Å; V82-A85 PolarHBondContact O-N 3.2Å; A85-R87 VanDerWaalsContact C-N 3.32Å; A85-R87 PolarHBondContact O-N 3.25Å; A85-N88 PolarHBondContact O-N 2.67Å; A85-L89 WeakPolarHBondContact O-CA 3.27Å; A85-L89 VanDerWaalsContact O-CB 3.29Å; A85-L89 WeakPolarHBondContact O-CB 3.39Å; A85-L89 PolarHBondContact O-N 3.43Å; A85-W92 HydrophobicContact CB-CH2 4.34Å; A85-W92 HydrophobicContact CB-CZ3 3.9Å; A85-V137 HydrophobicContact CB-CG1 3.58Å; A85-A141 HydrophobicContact CB-CB 4.38Å
86L98.8Very high98.4Very high60 Ų6067.1 Ų67.131%0.31433%0.334SS..Hα-helixtrans-58.7-42.8177.3-76.7170.4000112.5A38 L41 Q42 V82 T83 N88A38-L86 HydrophobicContact CB-CD2 4.24Å; L41-L86 HydrophobicContact CB-CD1 4.46Å; L41-L86 HydrophobicContact CB-CD2 3.67Å; L41-L86 HydrophobicContact CB-CG 3.88Å; L41-L86 HydrophobicContact CD1-CD2 4.15Å; L41-L86 HydrophobicContact CD1-CG 4.36Å; Q42-L86 HydrophobicContact CG-CD1 4.02Å; Q42-L86 HydrophobicContact CG-CD2 3.92Å; V82-L86 HydrophobicContact CG1-CD1 3.87Å; V82-L86 HydrophobicContact CG1-CG 4.48Å; V82-L86 WeakPolarHBondContact O-CB 3.44Å; V82-L86 WeakPolarHBondContact O-CG 3.16Å; V82-L86 PolarHBondContact O-N 3.17Å; T83-L86 PolarHBondContact O-N 3.09Å; L86-N88 VanDerWaalsContact C-N 3.29Å; L86-N88 PolarHBondContact O-N 3.26Å
87R98.8Very high98.3Very high192 Ų19273.4 Ų73.473%0.72535%0.349SS*.Hα-helixtrans-64.3-34.6179.8-172177.171.4-1741.2112.5T83 L84 A85T83-R87 WeakPolarHBondContact O-CB 3.49Å; T83-R87 PolarHBondContact O-N 3.46Å; L84-R87 PolarHBondContact O-N 2.78Å; A85-R87 VanDerWaalsContact C-N 3.32Å; A85-R87 PolarHBondContact O-N 3.25Å
88N98.8Very high98.2Very high40 Ų4072 Ų7221%0.21434%0.344CS..Hα-helixtrans-107.8-7.8-171.2-64.6-74.9000114.6L84 A85 L86 R90 A91 W92L84-N88 VanDerWaalsContact CD1-ND2 3.33Å; L84-N88 WeakPolarHBondContact CD1-ND2 3.3Å; L84-N88 PolarHBondContact O-N 2.66Å; L84-N88 VanDerWaalsContact O-N 3.14Å; L84-N88 PolarHBondContact O-ND2 3.13Å; A85-N88 PolarHBondContact O-N 2.67Å; L86-N88 VanDerWaalsContact C-N 3.29Å; L86-N88 PolarHBondContact O-N 3.26Å; N88-R90 PolarHBondContact O-N 3.17Å; N88-A91 WeakPolarHBondContact O-CA 3.23Å; N88-A91 WeakPolarHBondContact O-CB 3.36Å; N88-A91 PolarHBondContact O-N 3.47Å; N88-W92 HydrophobicContact CB-CD2 3.76Å; N88-W92 HydrophobicContact CB-CE3 4.34Å; N88-W92 HydrophobicContact CB-CG 4.22Å; N88-W92 HydrophobicContact CB-CH2 4.19Å; N88-W92 HydrophobicContact CB-CZ2 3.56Å; N88-W92 PolarHBondContact O-N 3.4Å
89L98.6Very high98.1Very high7 Ų778.2 Ų78.24%0.03738%0.384CS..Hα-helixtrans-47.9-52.9-169.8-179.264.6000113.3R37 A38 L41 A85 A91 W92 M93 A141R37-L89 HydrophobicContact CB-CD1 4.33Å; R37-L89 HydrophobicContact CB-CD2 4.03Å; A38-L89 HydrophobicContact CB-CD2 3.9Å; L41-L89 HydrophobicContact CD1-CD2 4.44Å; A85-L89 WeakPolarHBondContact O-CA 3.27Å; A85-L89 VanDerWaalsContact O-CB 3.29Å; A85-L89 WeakPolarHBondContact O-CB 3.39Å; A85-L89 PolarHBondContact O-N 3.43Å; L89-A91 VanDerWaalsContact C-N 3.29Å; L89-A91 PolarHBondContact O-N 2.89Å; L89-W92 PolarHBondContact O-N 3.47Å; L89-M93 HydrophobicContact CD1-CG 4.4Å; L89-M93 HydrophobicContact CD1-SD 3.95Å; L89-M93 HydrophobicContact CG-SD 3.94Å; L89-M93 VanDerWaalsContact O-CG 3.28Å; L89-M93 WeakPolarHBondContact O-CG 3.46Å; L89-M93 PolarHBondContact O-N 2.98Å; L89-A141 HydrophobicContact CD1-CB 4.09Å; L89-A141 WeakPolarHBondContact CD1-O 3.46Å
90R97.9Very high98Very high168 Ų16881.6 Ų81.663%0.63440%0.399SS*.Hα-helixtrans-64.6-33.6-179.2-68.7-170.8-179-87.8-4.1112.6E35 N88E35-R90 IonicContact OE1-CZ 2.92Å; E35-R90 IonicContact OE1-NH1 3.75Å; E35-R90 IonicContact OE1-NH2 2.75Å; E35-R90 PolarHBondContact OE1-NH2 3.42Å; N88-R90 PolarHBondContact O-N 3.17Å
91A98.3Very high97.9Very high68 Ų6884.5 Ų84.556%0.56241%0.405SS*.Hα-helixtrans-70-43.9176.700000111N88 L89 M93 K94N88-A91 WeakPolarHBondContact O-CA 3.23Å; N88-A91 WeakPolarHBondContact O-CB 3.36Å; N88-A91 PolarHBondContact O-N 3.47Å; L89-A91 VanDerWaalsContact C-N 3.29Å; L89-A91 PolarHBondContact O-N 2.89Å; A91-M93 VanDerWaalsContact C-N 3.29Å; A91-M93 PolarHBondContact O-N 2.94Å; A91-K94 WeakPolarHBondContact O-CB 3.48Å; A91-K94 PolarHBondContact O-N 3.3Å
92W98.4Very high97.7Very high117 Ų11788.8 Ų88.844%0.44343%0.429SS..Hα-helixtrans-64.2-32177.7-65.2-19.2000113.4L84 A85 N88 L89 K94L84-W92 HydrophobicContact CG-CH2 4.23Å; L84-W92 HydrophobicContact CG-CZ2 4.37Å; A85-W92 HydrophobicContact CB-CH2 4.34Å; A85-W92 HydrophobicContact CB-CZ3 3.9Å; N88-W92 HydrophobicContact CB-CD2 3.76Å; N88-W92 HydrophobicContact CB-CE3 4.34Å; N88-W92 HydrophobicContact CB-CG 4.22Å; N88-W92 HydrophobicContact CB-CH2 4.19Å; N88-W92 HydrophobicContact CB-CZ2 3.56Å; N88-W92 PolarHBondContact O-N 3.4Å; L89-W92 PolarHBondContact O-N 3.47Å; W92-K94 VanDerWaalsContact C-N 3.31Å; W92-K94 PolarHBondContact O-N 3.3Å
93M98Very high97.6Very high53 Ų5393.1 Ų93.126%0.26147%0.465SS..THydrogen-bonded Turntrans-77.5-12.4178-69.3175.966.800114A34 L89 A91A34-M93 HydrophobicContact CB-CE 3.84Å; A34-M93 HydrophobicContact CB-SD 3.74Å; L89-M93 HydrophobicContact CD1-CG 4.4Å; L89-M93 HydrophobicContact CD1-SD 3.95Å; L89-M93 HydrophobicContact CG-SD 3.94Å; L89-M93 VanDerWaalsContact O-CG 3.28Å; L89-M93 WeakPolarHBondContact O-CG 3.46Å; L89-M93 PolarHBondContact O-N 2.98Å; A91-M93 VanDerWaalsContact C-N 3.29Å; A91-M93 PolarHBondContact O-N 2.94Å
94K97.3Very high97.4Very high152 Ų15291.6 Ų91.666%0.66146%0.456SS*.SBendtrans-72138.1-173.6-167.6-179.8177-178.30111.3A91 W92 E96A91-K94 WeakPolarHBondContact O-CB 3.48Å; A91-K94 PolarHBondContact O-N 3.3Å; W92-K94 VanDerWaalsContact C-N 3.31Å; W92-K94 PolarHBondContact O-N 3.3Å; K94-E96 PolarHBondContact O-N 3.16Å
95D98Very high97.2Very high51 Ų5194.2 Ų94.227%0.27347%0.466SS..PPolyproline II helixtrans-57.7134.2169.3-70.5-18000110.3F110 R112D95-F110 HydrophobicContact CB-CB 4.34Å; D95-F110 HydrophobicContact CB-CD2 3.81Å; D95-F110 HydrophobicContact CB-CG 4.3Å; D95-F110 VanDerWaalsContact CG-CD2 3.49Å; D95-F110 WeakPolarHBondContact OD2-CE2 3.48Å; D95-R112 WeakPolarHBondContact OD1-CA 3.32Å; D95-R112 VanDerWaalsContact OD1-CB 3.32Å; D95-R112 WeakPolarHBondContact OD1-CB 3.39Å; D95-R112 WeakPolarHBondContact OD1-CG 3.03Å; D95-R112 IonicContact OD1-CZ 3.3Å; D95-R112 IonicContact OD1-NE 2.93Å; D95-R112 PolarHBondContact OD1-NE 3.19Å; D95-R112 IonicContact OD1-NH2 2.84Å; D95-R112 IonicContact OD2-CZ 2.66Å; D95-R112 IonicContact OD2-NE 3.53Å; D95-R112 PolarHBondContact OD2-NE 2.74Å; D95-R112 IonicContact OD2-NH2 3.63Å; D95-R112 PolarHBondContact OD2-NH2 3.14Å
96E97.4Very high97Very high105 Ų105102.3 Ų102.349%0.49151%0.509SS..EExtended strand (participates in β ladder)trans-102.2120.9178.4175.5-177.5171.400109.8K94 F110 I111 K113K94-E96 PolarHBondContact O-N 3.16Å; E96-F110 CarbonylContact O-C 3.42Å; E96-F110 WeakPolarHBondContact O-CA 3.36Å; E96-F110 WeakPolarHBondContact O-CB 3.35Å; E96-I111 HydrophobicContact CB-CB 4.38Å; E96-I111 PolarHBondContact N-O 3.16Å; E96-I111 PolarHBondContact O-N 3.05Å; E96-K113 IonicContact OE2-NZ 3.5Å; E96-K113 PolarHBondContact OE2-NZ 3.03Å
97R96.2Very high96.9Very high175 Ų175103.8 Ų103.866%0.6652%0.517SS*.EExtended strand (participates in β ladder)trans-72.7135.3178.5-63.8-63.7-173.3171.3-1.5109.6S108R97-S108 PolarHBondContact NH1-OG 3.23Å
98V96.4Very high96.8Very high48 Ų4898.3 Ų98.329%0.29151%0.508SS..  trans-111.5153.1177.5-62.70000111.1A109 I111V98-A109 HydrophobicContact CG2-CB 3.53Å; V98-A109 PolarHBondContact N-O 3.13Å; V98-I111 HydrophobicContact CG1-CD1 3.61Å; V98-I111 HydrophobicContact CG1-CG1 3.72Å
99P95.8Very high96.6Very high132 Ų13297.8 Ų97.886%0.85751%0.509SS*.  trans-56.7144.9175.7-2434.3000112.1
100K96.7Very high96.6Very high108 Ų108101.1 Ų101.147%0.4752%0.523SS..  trans-111.1154.8177-59.9-173.3-66.7168.20110T104 Q105 D107 A109K100-T104 WeakPolarHBondContact CD-O 3.41Å; K100-Q105 PolarHBondContact NZ-O 3.3Å; K100-D107 WeakPolarHBondContact CD-O 3.48Å; K100-D107 PolarHBondContact NZ-O 2.96Å; K100-A109 HydrophobicContact CD-CB 4.3Å; K100-A109 HydrophobicContact CG-CB 3.98Å
101N95.4Very high96.6Very high99 Ų9997 Ų9753%0.52951%0.513SS..  trans-109.6177172.964.824.4000110.7A103 T104 Q105N101-A103 PolarHBondContact O-N 2.94Å; N101-A103 PolarHBondContact OD1-N 3.3Å; N101-T104 PolarHBondContact N-OG1 2.9Å; N101-T104 CarbonylContact O-C 3.45Å; N101-T104 PolarHBondContact O-N 3.05Å; N101-T104 PolarHBondContact O-OG1 2.86Å; N101-T104 PolarHBondContact OD1-N 3.43Å; N101-T104 PolarHBondContact OD1-OG1 3.09Å; N101-Q105 PolarHBondContact O-N 3.3Å
102L95.7Very high96.6Very high147 Ų147100.2 Ų100.277%0.7751%0.511SS*.G310 helixtrans-56.7-37.4-177.6-17463.4000112.7T104L102-T104 VanDerWaalsContact C-N 3.29Å; L102-T104 PolarHBondContact O-N 3.36Å
103A95.8Very high96.5Very high92 Ų9298.6 Ų98.676%0.7651%0.507SS*.G310 helixtrans-69-26.4179.100000113.3N101N101-A103 PolarHBondContact O-N 2.94Å; N101-A103 PolarHBondContact OD1-N 3.3Å
104T95.9Very high96.5Very high46 Ų46102.4 Ų102.428%0.28252%0.524SS..G310 helixtrans-111.213.8-177.451.60000112.5K100 N101 L102 L106 D107K100-T104 WeakPolarHBondContact CD-O 3.41Å; N101-T104 PolarHBondContact N-OG1 2.9Å; N101-T104 CarbonylContact O-C 3.45Å; N101-T104 PolarHBondContact O-N 3.05Å; N101-T104 PolarHBondContact O-OG1 2.86Å; N101-T104 PolarHBondContact OD1-N 3.43Å; N101-T104 PolarHBondContact OD1-OG1 3.09Å; L102-T104 VanDerWaalsContact C-N 3.29Å; L102-T104 PolarHBondContact O-N 3.36Å; T104-L106 PolarHBondContact O-N 2.93Å; T104-L106 VanDerWaalsContact O-N 3.15Å; T104-D107 WeakPolarHBondContact CA-OD2 3.24Å; T104-D107 WeakPolarHBondContact O-CB 3.42Å; T104-D107 PolarHBondContact O-N 3.28Å
105Q93.8Very high96.5Very high118 Ų11896.3 Ų96.355%0.55150%0.5SS*.THydrogen-bonded Turntrans-60.3-34.1-168.7-173.4174.1-5400112.7K100 N101K100-Q105 PolarHBondContact NZ-O 3.3Å; N101-Q105 PolarHBondContact O-N 3.3Å
106L96.2Very high96.6Very high171 Ų171100.2 Ų100.290%0.89552%0.515SS*.THydrogen-bonded Turntrans-87.1-6.3179.3-58.9-179.5000113.6T104T104-L106 PolarHBondContact O-N 2.93Å; T104-L106 VanDerWaalsContact O-N 3.15Å
107D96.4Very high96.6Very high90 Ų9095.2 Ų95.248%0.48149%0.491SS..SBendtrans-86.3166.7-177.1-57.6-32.7000112.7K100 T104K100-D107 WeakPolarHBondContact CD-O 3.48Å; K100-D107 PolarHBondContact NZ-O 2.96Å; T104-D107 WeakPolarHBondContact CA-OD2 3.24Å; T104-D107 WeakPolarHBondContact O-CB 3.42Å; T104-D107 PolarHBondContact O-N 3.28Å
108S95.2Very high96.7Very high77 Ų7787 Ų8754%0.53846%0.46SS..  trans-102.3107166.7173.70000109.9R97R97-S108 PolarHBondContact NH1-OG 3.23Å
109A96.1Very high96.8Very high29 Ų2985 Ų8524%0.2445%0.448CS..  trans-105.1128.1176.300000111V98 K100V98-A109 HydrophobicContact CG2-CB 3.53Å; V98-A109 PolarHBondContact N-O 3.13Å; K100-A109 HydrophobicContact CD-CB 4.3Å; K100-A109 HydrophobicContact CG-CB 3.98Å
110F97.4Very high97Very high78 Ų7878.7 Ų78.734%0.34241%0.408SS..EExtended strand (participates in β ladder)trans-158.6160.4177.160.8-86.6000112.1D95 E96 R112D95-F110 HydrophobicContact CB-CB 4.34Å; D95-F110 HydrophobicContact CB-CD2 3.81Å; D95-F110 HydrophobicContact CB-CG 4.3Å; D95-F110 VanDerWaalsContact CG-CD2 3.49Å; D95-F110 WeakPolarHBondContact OD2-CE2 3.48Å; E96-F110 CarbonylContact O-C 3.42Å; E96-F110 WeakPolarHBondContact O-CA 3.36Å; E96-F110 WeakPolarHBondContact O-CB 3.35Å; F110-R112 HydrophobicContact CD2-CB 4.25Å; F110-R112 HydrophobicContact CE2-CB 4.06Å
111I98.1Very high97.1Very high82 Ų8273.7 Ų73.742%0.42139%0.386SS..EExtended strand (participates in β ladder)trans-104.3116.2171.3-61.9166.6000108.4E96 V98 K113E96-I111 HydrophobicContact CB-CB 4.38Å; E96-I111 PolarHBondContact N-O 3.16Å; E96-I111 PolarHBondContact O-N 3.05Å; V98-I111 HydrophobicContact CG1-CD1 3.61Å; V98-I111 HydrophobicContact CG1-CG1 3.72Å; I111-K113 PolarHBondContact O-NZ 3.32Å
112R97.6Very high97.3Very high134 Ų13469.4 Ų69.451%0.50636%0.363SS..  trans-96.8139.1171.2-178.6164.1-69.4170.11.7110.6D95 F110 E114D95-R112 WeakPolarHBondContact OD1-CA 3.32Å; D95-R112 VanDerWaalsContact OD1-CB 3.32Å; D95-R112 WeakPolarHBondContact OD1-CB 3.39Å; D95-R112 WeakPolarHBondContact OD1-CG 3.03Å; D95-R112 IonicContact OD1-CZ 3.3Å; D95-R112 IonicContact OD1-NE 2.93Å; D95-R112 PolarHBondContact OD1-NE 3.19Å; D95-R112 IonicContact OD1-NH2 2.84Å; D95-R112 IonicContact OD2-CZ 2.66Å; D95-R112 IonicContact OD2-NE 3.53Å; D95-R112 PolarHBondContact OD2-NE 2.74Å; D95-R112 IonicContact OD2-NH2 3.63Å; D95-R112 PolarHBondContact OD2-NH2 3.14Å; F110-R112 HydrophobicContact CD2-CB 4.25Å; F110-R112 HydrophobicContact CE2-CB 4.06Å; R112-E114 WeakPolarHBondContact CD-OE1 3.31Å; R112-E114 HydrophobicContact CG-CG 3.89Å
113K97.8Very high97.4Very high84 Ų8462.6 Ų62.637%0.36533%0.328SS..  trans-99.2114177.9-67.680.8-179.6168.20108.3E96 I111E96-K113 IonicContact OE2-NZ 3.5Å; E96-K113 PolarHBondContact OE2-NZ 3.03Å; I111-K113 PolarHBondContact O-NZ 3.32Å
114E97.1Very high97.5Very high132 Ų13258.9 Ų58.962%0.61730%0.296SS*.  trans-116.4145.9-179.8-59.4-164.1155.800110.5R112R112-E114 WeakPolarHBondContact CD-OE1 3.31Å; R112-E114 HydrophobicContact CG-CG 3.89Å
115P98.3Very high97.6Very high24 Ų2462.7 Ų62.716%0.15631%0.305CS..  trans-63.7152.5174.825-32.4000111.6F26 A142 G143 N144F26-P115 HydrophobicContact CE2-CB 3.81Å; F26-P115 HydrophobicContact CE2-CG 3.64Å; F26-P115 HydrophobicContact CZ-CB 4.17Å; F26-P115 HydrophobicContact CZ-CG 3.87Å; P115-A142 WeakPolarHBondContact CB-O 3.34Å; P115-G143 VanDerWaalsContact CB-O 3.27Å; P115-G143 WeakPolarHBondContact CB-O 3.27Å; P115-N144 WeakPolarHBondContact CB-OD1 3.42Å
116F98.5Very high97.8Very high133 Ų13360 Ų6058%0.58329%0.294SS*.  trans-70.8-47.1174.3-75.4-76.1000111.8N144 D193 Y194F116-N144 PolarHBondContact N-OD1 3.37Å; F116-D193 HydrophobicContact CB-CB 4.04Å; F116-D193 WeakPolarHBondContact O-CB 3.36Å; F116-Y194 HydrophobicContact CD1-CD2 4.26Å; F116-Y194 AromaticContact CD2-CD2 3.78Å; F116-Y194 HydrophobicContact CD2-CD2 3.78Å; F116-Y194 HydrophobicContact CD2-CE2 4.47Å; F116-Y194 HydrophobicContact CD2-CG 4.32Å; F116-Y194 HydrophobicContact CE1-CD2 4.15Å; F116-Y194 AromaticContact CE2-CD2 3.65Å; F116-Y194 HydrophobicContact CE2-CD2 3.65Å; F116-Y194 AromaticContact CE2-CE2 3.91Å; F116-Y194 HydrophobicContact CE2-CE2 3.91Å; F116-Y194 HydrophobicContact CG-CD2 4.09Å; F116-Y194 AromaticContact CZ-CD2 3.85Å; F116-Y194 HydrophobicContact CZ-CD2 3.85Å; F116-Y194 AromaticContact CZ-CE2 3.98Å; F116-Y194 HydrophobicContact CZ-CE2 3.98Å
117G98.6Very high98Very high0 Ų056 Ų560%027%0.268CS..SBendtrans143.6-118.9-174.300000113.3F26 N144 C145 D193F26-G117 VanDerWaalsContact CE1-CA 3.49Å; F26-G117 VanDerWaalsContact CZ-CA 3.41Å; G117-N144 PolarHBondContact N-OD1 3.42Å; G117-N144 WeakPolarHBondContact O-CA 3.15Å; G117-N144 WeakPolarHBondContact O-CB 3.42Å; G117-C145 PolarHBondContact O-N 3.24Å; G117-D193 WeakPolarHBondContact CA-OD2 3.32Å
118L98.8Very high98.1Very high2 Ų251.9 Ų51.91%0.0125%0.246CC..EExtended strand (participates in β ladder)trans-92116174.4-175.161.5000110L19 L22 R23 C145 V147 F192 D193L19-L118 HydrophobicContact CD2-CD2 4.11Å; L22-L118 HydrophobicContact CB-CD1 3.69Å; L22-L118 HydrophobicContact CD1-CD1 3.86Å; L22-L118 HydrophobicContact CG-CD1 4.39Å; R23-L118 HydrophobicContact CG-CD2 4.05Å; L118-C145 HydrophobicContact CD1-CB 3.9Å; L118-V147 HydrophobicContact CD1-CG2 4.18Å; L118-F192 HydrophobicContact CD2-CD1 4.08Å; L118-F192 HydrophobicContact CD2-CE1 3.9Å; L118-F192 HydrophobicContact CG-CD1 3.78Å; L118-F192 HydrophobicContact CG-CE1 3.86Å; L118-D193 PolarHBondContact N-OD2 2.94Å; L118-D193 PolarHBondContact O-N 3.28Å
119V98.9Very high98.2Very high7 Ų748.2 Ų48.24%0.04222%0.221CC..EExtended strand (participates in β ladder)trans-105.6133.6-176.9177.40000110.4I121 A139 N144 C145 V146 V147 Y194V119-I121 HydrophobicContact CG1-CG1 4.17Å; V119-A139 HydrophobicContact CG1-CB 4.34Å; V119-N144 HydrophobicContact CB-CB 4.36Å; V119-N144 HydrophobicContact CG2-CB 3.55Å; V119-C145 PolarHBondContact N-O 2.91Å; V119-V146 CarbonylContact O-C 3.57Å; V119-V146 WeakPolarHBondContact O-CA 3.34Å; V119-V147 PolarHBondContact O-N 3.13Å; V119-Y194 WeakPolarHBondContact CA-O 3.48Å
120L98.9Very high98.3Very high0 Ų048.1 Ų48.10%022%0.216CC..EExtended strand (participates in β ladder)trans-101130.4169.4177.660.9000109.9I122 V147 K149 L187 L188 F192 Y194 I195 F196L120-I122 HydrophobicContact CD1-CG1 4.28Å; L120-I122 HydrophobicContact CD2-CD1 3.87Å; L120-I122 HydrophobicContact CD2-CG1 4.02Å; L120-I122 HydrophobicContact CG-CD1 4.28Å; L120-I122 HydrophobicContact CG-CG1 3.91Å; L120-V147 WeakPolarHBondContact CA-O 3.45Å; L120-V147 HydrophobicContact CD1-CB 4.06Å; L120-V147 HydrophobicContact CD1-CG1 3.93Å; L120-K149 HydrophobicContact CD1-CB 4.41Å; L120-L187 HydrophobicContact CD1-CD1 4.3Å; L120-L187 HydrophobicContact CD2-CB 4.49Å; L120-L188 HydrophobicContact CD2-CD2 4.17Å; L120-F192 HydrophobicContact CB-CB 4.34Å; L120-F192 HydrophobicContact CB-CD1 3.53Å; L120-F192 HydrophobicContact CB-CD2 3.97Å; L120-F192 HydrophobicContact CB-CE1 3.71Å; L120-F192 HydrophobicContact CB-CE2 4.13Å; L120-F192 HydrophobicContact CB-CG 3.67Å; L120-F192 HydrophobicContact CB-CZ 4.01Å; L120-F192 HydrophobicContact CD1-CE1 4.47Å; L120-F192 HydrophobicContact CD1-CZ 4.25Å; L120-F192 HydrophobicContact CD2-CD2 3.97Å; L120-F192 HydrophobicContact CD2-CE2 3.78Å; L120-F192 HydrophobicContact CD2-CZ 4.17Å; L120-F192 HydrophobicContact CG-CE2 4.41Å; L120-F192 HydrophobicContact CG-CZ 4.37Å; L120-Y194 PolarHBondContact N-O 2.89Å; L120-I195 HydrophobicContact CB-CG1 4.28Å; L120-I195 HydrophobicContact CB-CG2 4.41Å; L120-I195 HydrophobicContact CD2-CG2 4.27Å; L120-I195 HydrophobicContact CG-CG2 4.44Å; L120-I195 WeakPolarHBondContact O-CA 3.42Å; L120-F196 PolarHBondContact O-N 3.18Å
121I98.9Very high98.4Very high2 Ų246.3 Ų46.31%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-116.6115.5172.8-60.4175.3000108.3V119 P135 L136 A139 V146 V147 L148 K149 F196V119-I121 HydrophobicContact CG1-CG1 4.17Å; I121-P135 HydrophobicContact CD1-CB 4.07Å; I121-P135 HydrophobicContact CD1-CG 4.45Å; I121-P135 HydrophobicContact CG2-CB 4.28Å; I121-P135 HydrophobicContact CG2-CG 3.84Å; I121-L136 HydrophobicContact CD1-CB 4.03Å; I121-A139 HydrophobicContact CD1-CB 4.33Å; I121-V146 HydrophobicContact CD1-CG1 3.78Å; I121-V146 HydrophobicContact CG1-CG1 4.13Å; I121-V147 PolarHBondContact N-O 3.1Å; I121-L148 HydrophobicContact CB-CD2 3.74Å; I121-L148 HydrophobicContact CD1-CD2 3.84Å; I121-L148 HydrophobicContact CG1-CD2 4.25Å; I121-L148 HydrophobicContact CG2-CD2 4.16Å; I121-K149 PolarHBondContact O-N 3.4Å; I121-F196 CarbonylContact C-O 3.6Å; I121-F196 WeakPolarHBondContact CA-O 3.36Å; I121-F196 HydrophobicContact CG1-CB 4.3Å
122I98.8Very high98.4Very high9 Ų942.5 Ų42.55%0.04619%0.19CC..EExtended strand (participates in β ladder)trans-107.4114175.8-56.8165.5000108.2L120 K149 T184 L188 I195 F196 F197 T198 V207L120-I122 HydrophobicContact CD1-CG1 4.28Å; L120-I122 HydrophobicContact CD2-CD1 3.87Å; L120-I122 HydrophobicContact CD2-CG1 4.02Å; L120-I122 HydrophobicContact CG-CD1 4.28Å; L120-I122 HydrophobicContact CG-CG1 3.91Å; I122-K149 WeakPolarHBondContact CA-O 3.35Å; I122-K149 HydrophobicContact CG1-CB 4.15Å; I122-K149 HydrophobicContact CG2-CD 4.16Å; I122-T184 HydrophobicContact CD1-CG2 4.04Å; I122-L188 HydrophobicContact CD1-CD2 4.32Å; I122-I195 HydrophobicContact CD1-CG2 4.37Å; I122-F196 PolarHBondContact N-O 3.43Å; I122-F197 HydrophobicContact CB-CD2 3.91Å; I122-F197 HydrophobicContact CD1-CD2 4.41Å; I122-F197 HydrophobicContact CG2-CD2 3.77Å; I122-F197 HydrophobicContact CG2-CE2 4.16Å; I122-T198 PolarHBondContact O-N 3.14Å; I122-T198 VanDerWaalsContact O-N 3.08Å; I122-V207 HydrophobicContact CD1-CG2 4.18Å
123A98.4Very high98.5Very high4 Ų436.2 Ų36.23%0.03317%0.167CC..  trans-109.6146.3-174.600000112.4T132 K149 S151A123-T132 WeakPolarHBondContact CB-OG1 3.36Å; A123-K149 PolarHBondContact N-O 2.98Å; A123-S151 PolarHBondContact O-N 3.41Å
124P98.4Very high98.5Very high15 Ų1534.1 Ų34.110%0.09716%0.161CC..  trans-87.5179.7177.238.7-37.3000111N126 L131 T198P124-N126 WeakPolarHBondContact CG-OD1 3.35Å; P124-L131 HydrophobicContact CG-CB 4.32Å; P124-L131 HydrophobicContact CG-CD1 3.45Å; P124-L131 VanDerWaalsContact CG-CD1 3.45Å; P124-T198 WeakPolarHBondContact CD-O 3.33Å; P124-T198 HydrophobicContact CG-CG2 3.94Å
125W98.4Very high98.6Very high125 Ų12528.8 Ų28.847%0.47314%0.138SC..SBendtrans-91.4-15.5-171.959.2-93.9000115.6L63 P128 I153 S154L63-W125 HydrophobicContact CD2-CE3 3.83Å; L63-W125 HydrophobicContact CD2-CZ3 3.99Å; W125-P128 WeakPolarHBondContact O-CD 3.32Å; W125-I153 HydrophobicContact CB-CB 3.69Å; W125-I153 HydrophobicContact CB-CG2 3.8Å; W125-I153 HydrophobicContact CD2-CG2 4.16Å; W125-I153 HydrophobicContact CG-CB 4Å; W125-I153 HydrophobicContact CG-CD1 4.06Å; W125-I153 HydrophobicContact CG-CG2 3.83Å; W125-S154 WeakPolarHBondContact CA-OG 3.49Å; W125-S154 WeakPolarHBondContact CB-OG 3.35Å; W125-S154 PolarHBondContact O-OG 3.31Å
126N98.3Very high98.6Very high61 Ų6127.6 Ų27.633%0.32613%0.13SC..SBendtrans-80.2-28.8-169.160.8-51000113.8K65 P124K65-N126 PolarHBondContact NZ-O 2.94Å; P124-N126 WeakPolarHBondContact CG-OD1 3.35Å
127Y98.5Very high98.6Very high89 Ų8921.3 Ų21.335%0.34910%0.103SC..SBendtrans-135.468.9167.4-64.1-90000109.8E74 L129 N130 L131E74-Y127 WeakPolarHBondContact OE1-CA 3.39Å; E74-Y127 VanDerWaalsContact OE2-C 3.24Å; E74-Y127 WeakPolarHBondContact OE2-CA 3.35Å; Y127-L129 PolarHBondContact O-N 3Å; Y127-N130 PolarHBondContact O-N 3.49Å; Y127-L131 HydrophobicContact CD2-CD1 4.33Å; Y127-L131 WeakPolarHBondContact O-CB 3.33Å; Y127-L131 PolarHBondContact O-N 3.15Å
128P98.4Very high98.7Very high2 Ų223.1 Ų23.11%0.01312%0.121CC..THydrogen-bonded Turntrans-71-16.5-160.629.7-35.9000113.1L59 L63 E74 W125 T132 V157L59-P128 HydrophobicContact CD2-CG 3.83Å; L63-P128 HydrophobicContact CD1-CG 3.82Å; E74-P128 VanDerWaalsContact OE1-CD 3.3Å; E74-P128 WeakPolarHBondContact OE1-CD 3.3Å; W125-P128 WeakPolarHBondContact O-CD 3.32Å; P128-T132 VanDerWaalsContact O-CB 3.31Å; P128-T132 WeakPolarHBondContact O-CB 3.5Å; P128-T132 PolarHBondContact O-OG1 2.81Å; P128-V157 HydrophobicContact CB-CB 4.24Å; P128-V157 HydrophobicContact CB-CG1 3.82Å; P128-V157 HydrophobicContact CG-CB 4.09Å; P128-V157 HydrophobicContact CG-CG1 3.93Å; P128-V157 HydrophobicContact CG-CG2 3.97Å
129L98.3Very high98.7Very high0 Ų023.4 Ų23.40%012%0.124CC..THydrogen-bonded Turntrans-89.8-56.2170.4-68.7-179000110.9L55 L59 E74 V75 Y127 L131 T132 L133 V157 L161L55-L129 HydrophobicContact CB-CD1 3.96Å; L55-L129 HydrophobicContact CD1-CD1 4.31Å; L55-L129 HydrophobicContact CD2-CD1 3.81Å; L55-L129 HydrophobicContact CD2-CD2 3.9Å; L55-L129 HydrophobicContact CG-CD1 4.24Å; L59-L129 HydrophobicContact CD1-CD1 3.85Å; L59-L129 HydrophobicContact CG-CD1 4.35Å; E74-L129 HydrophobicContact CB-CB 4.12Å; E74-L129 HydrophobicContact CB-CD1 4.41Å; E74-L129 PolarHBondContact OE2-N 3.4Å; V75-L129 HydrophobicContact CG2-CD1 4.32Å; Y127-L129 PolarHBondContact O-N 3Å; L129-L131 PolarHBondContact O-N 3.29Å; L129-T132 PolarHBondContact O-N 3.47Å; L129-T132 VanDerWaalsContact O-N 3.1Å; L129-L133 HydrophobicContact CB-CD1 4.4Å; L129-L133 HydrophobicContact CD2-CD1 4.33Å; L129-L133 WeakPolarHBondContact O-CB 3.17Å; L129-L133 VanDerWaalsContact O-CG 3.32Å; L129-L133 WeakPolarHBondContact O-CG 3.31Å; L129-L133 PolarHBondContact O-N 2.88Å; L129-V157 HydrophobicContact CD2-CG1 3.55Å; L129-V157 HydrophobicContact CG-CG1 3.92Å; L129-L161 HydrophobicContact CD2-CD2 4.05Å; L129-L161 HydrophobicContact CD2-CG 4.38Å
130N98.4Very high98.7Very high28 Ų2823.4 Ų23.415%0.1512%0.124CC..Hα-helixtrans-56.9-51.9-175.7178.426.4000112.2E74 I77 Y127 T132 L133 V134E74-N130 WeakPolarHBondContact OE2-CB 3.43Å; E74-N130 PolarHBondContact OE2-N 3.3Å; I77-N130 WeakPolarHBondContact CG2-OD1 3.43Å; Y127-N130 PolarHBondContact O-N 3.49Å; N130-T132 PolarHBondContact O-N 3.2Å; N130-T132 VanDerWaalsContact O-N 3.13Å; N130-L133 PolarHBondContact O-N 3.03Å; N130-V134 WeakPolarHBondContact O-CB 3.42Å; N130-V134 PolarHBondContact O-N 2.94Å; N130-V134 WeakPolarHBondContact OD1-CG2 3.44Å
131L98.8Very high98.7Very high40 Ų4023.8 Ų23.821%0.20913%0.127CC..Hα-helixtrans-71.7-7.9-177-63.4172.8000113.4P124 Y127 L129 P135 T198P124-L131 HydrophobicContact CG-CB 4.32Å; P124-L131 HydrophobicContact CG-CD1 3.45Å; P124-L131 VanDerWaalsContact CG-CD1 3.45Å; Y127-L131 HydrophobicContact CD2-CD1 4.33Å; Y127-L131 WeakPolarHBondContact O-CB 3.33Å; Y127-L131 PolarHBondContact O-N 3.15Å; L129-L131 PolarHBondContact O-N 3.29Å; L131-P135 VanDerWaalsContact O-CG 3.23Å; L131-P135 WeakPolarHBondContact O-CG 2.89Å; L131-T198 HydrophobicContact CD1-CG2 4.17Å; L131-T198 HydrophobicContact CD2-CG2 4.3Å
132T98.7Very high98.6Very high2 Ų225.7 Ų25.71%0.01214%0.143CC..Hα-helixtrans-97.1-48.7171.8-57.70000111.4A123 P128 L129 N130 P135 L136 L148 L161A123-T132 WeakPolarHBondContact CB-OG1 3.36Å; P128-T132 VanDerWaalsContact O-CB 3.31Å; P128-T132 WeakPolarHBondContact O-CB 3.5Å; P128-T132 PolarHBondContact O-OG1 2.81Å; L129-T132 PolarHBondContact O-N 3.47Å; L129-T132 VanDerWaalsContact O-N 3.1Å; N130-T132 PolarHBondContact O-N 3.2Å; N130-T132 VanDerWaalsContact O-N 3.13Å; T132-P135 WeakPolarHBondContact O-CG 3.49Å; T132-L136 WeakPolarHBondContact O-CB 3.36Å; T132-L136 PolarHBondContact O-N 2.84Å; T132-L148 HydrophobicContact CG2-CD1 3.76Å; T132-L148 HydrophobicContact CG2-CD2 4.2Å; T132-L148 HydrophobicContact CG2-CG 4.46Å; T132-L161 HydrophobicContact CG2-CD1 4.04Å
133L98.8Very high98.6Very high2 Ų225.3 Ų25.31%0.0114%0.141CC..Hα-helixtrans-83.8-35.2-167.6-62.6-177.6000113L44 F47 L48 L129 N130 L136 V137 L161 L165L44-L133 HydrophobicContact CD2-CD2 4Å; F47-L133 HydrophobicContact CE1-CD1 4.16Å; L48-L133 HydrophobicContact CD2-CD1 3.68Å; L48-L133 HydrophobicContact CG-CD1 4.42Å; L129-L133 HydrophobicContact CB-CD1 4.4Å; L129-L133 HydrophobicContact CD2-CD1 4.33Å; L129-L133 WeakPolarHBondContact O-CB 3.17Å; L129-L133 VanDerWaalsContact O-CG 3.32Å; L129-L133 WeakPolarHBondContact O-CG 3.31Å; L129-L133 PolarHBondContact O-N 2.88Å; N130-L133 PolarHBondContact O-N 3.03Å; L133-L136 HydrophobicContact CD2-CD2 3.97Å; L133-L136 WeakPolarHBondContact O-CB 3.47Å; L133-L136 PolarHBondContact O-N 2.81Å; L133-V137 WeakPolarHBondContact O-CG2 3.43Å; L133-V137 PolarHBondContact O-N 2.97Å; L133-L161 HydrophobicContact CD2-CD2 4.04Å; L133-L165 HydrophobicContact CD2-CD2 4.15Å
134V98.8Very high98.7Very high40 Ų4025.4 Ų25.424%0.24214%0.141CC..Hα-helixtrans-59.9-51.6174.8168.20000112I77 E81 N130 L136 V137 G138I77-V134 HydrophobicContact CG2-CG2 4.23Å; E81-V134 HydrophobicContact CB-CG2 4.22Å; E81-V134 HydrophobicContact CG-CG1 4.16Å; E81-V134 HydrophobicContact CG-CG2 4.38Å; N130-V134 WeakPolarHBondContact O-CB 3.42Å; N130-V134 PolarHBondContact O-N 2.94Å; N130-V134 WeakPolarHBondContact OD1-CG2 3.44Å; V134-L136 VanDerWaalsContact C-N 3.27Å; V134-L136 PolarHBondContact O-N 2.67Å; V134-V137 PolarHBondContact O-N 3.08Å; V134-G138 PolarHBondContact O-N 3.06Å
135P98.9Very high98.7Very high19 Ų1924.7 Ų24.712%0.12314%0.136CC..Hα-helixtrans-65.4-30.9175.123.3-31.3000112.7I121 L131 T132 G138 A139 F196I121-P135 HydrophobicContact CD1-CB 4.07Å; I121-P135 HydrophobicContact CD1-CG 4.45Å; I121-P135 HydrophobicContact CG2-CB 4.28Å; I121-P135 HydrophobicContact CG2-CG 3.84Å; L131-P135 VanDerWaalsContact O-CG 3.23Å; L131-P135 WeakPolarHBondContact O-CG 2.89Å; T132-P135 WeakPolarHBondContact O-CG 3.49Å; P135-G138 PolarHBondContact O-N 2.86Å; P135-A139 PolarHBondContact O-N 3.27Å; P135-F196 HydrophobicContact CB-CD1 3.73Å; P135-F196 HydrophobicContact CB-CD2 4.32Å; P135-F196 HydrophobicContact CB-CE1 3.75Å; P135-F196 HydrophobicContact CB-CE2 4.35Å; P135-F196 HydrophobicContact CB-CG 4.03Å; P135-F196 HydrophobicContact CB-CZ 4.08Å; P135-F196 HydrophobicContact CG-CD1 4.05Å; P135-F196 HydrophobicContact CG-CE1 3.93Å
136L98.9Very high98.7Very high0 Ų018.8 Ų18.80%011%0.114CC..Hα-helixtrans-63.4-42.7174.6175.263.7000112L44 I121 T132 L133 V134 G138 A139 L140 V146 L148 L165 F174L44-L136 HydrophobicContact CD1-CD2 4Å; L44-L136 HydrophobicContact CD1-CG 4.07Å; L44-L136 HydrophobicContact CD2-CD2 3.87Å; L44-L136 HydrophobicContact CG-CD2 4.47Å; I121-L136 HydrophobicContact CD1-CB 4.03Å; T132-L136 WeakPolarHBondContact O-CB 3.36Å; T132-L136 PolarHBondContact O-N 2.84Å; L133-L136 HydrophobicContact CD2-CD2 3.97Å; L133-L136 WeakPolarHBondContact O-CB 3.47Å; L133-L136 PolarHBondContact O-N 2.81Å; V134-L136 VanDerWaalsContact C-N 3.27Å; V134-L136 PolarHBondContact O-N 2.67Å; L136-G138 VanDerWaalsContact C-N 3.3Å; L136-G138 PolarHBondContact O-N 2.86Å; L136-A139 PolarHBondContact O-N 3.13Å; L136-L140 HydrophobicContact CD1-CD1 3.82Å; L136-L140 HydrophobicContact CD1-CD2 4.42Å; L136-L140 HydrophobicContact CD1-CG 3.87Å; L136-L140 HydrophobicContact CG-CD1 3.84Å; L136-L140 HydrophobicContact CG-CG 4.31Å; L136-L140 WeakPolarHBondContact O-CB 3.37Å; L136-L140 WeakPolarHBondContact O-CG 3.48Å; L136-L140 PolarHBondContact O-N 3.24Å; L136-V146 HydrophobicContact CD1-CB 3.97Å; L136-V146 HydrophobicContact CD1-CG1 3.73Å; L136-V146 HydrophobicContact CD1-CG2 4.02Å; L136-L148 HydrophobicContact CB-CD2 4.33Å; L136-L148 HydrophobicContact CD1-CD2 4.15Å; L136-L148 HydrophobicContact CD2-CD1 4.02Å; L136-L148 HydrophobicContact CD2-CD2 4.49Å; L136-L165 HydrophobicContact CD2-CD2 4.2Å; L136-F174 HydrophobicContact CD1-CD2 4.12Å; L136-F174 HydrophobicContact CD1-CE2 3.83Å; L136-F174 HydrophobicContact CD2-CE2 3.97Å
137V98.9Very high98.7Very high1 Ų115.9 Ų15.91%0.00610%0.098CC..Hα-helixtrans-56.1-47.7174.6166.70000110.3L41 L44 E81 V82 A85 L133 V134 A139 L140 A141L41-V137 HydrophobicContact CD2-CB 4.28Å; L41-V137 HydrophobicContact CD2-CG1 3.76Å; L41-V137 HydrophobicContact CD2-CG2 4.36Å; L44-V137 HydrophobicContact CD1-CG2 4.02Å; E81-V137 HydrophobicContact CB-CG1 4.5Å; E81-V137 HydrophobicContact CG-CB 4.04Å; E81-V137 HydrophobicContact CG-CG1 3.76Å; V82-V137 HydrophobicContact CG2-CG2 3.54Å; A85-V137 HydrophobicContact CB-CG1 3.58Å; L133-V137 WeakPolarHBondContact O-CG2 3.43Å; L133-V137 PolarHBondContact O-N 2.97Å; V134-V137 PolarHBondContact O-N 3.08Å; V137-A139 PolarHBondContact O-N 3.03Å; V137-L140 PolarHBondContact O-N 3.42Å; V137-A141 VanDerWaalsContact O-CB 3.23Å; V137-A141 WeakPolarHBondContact O-CB 3.48Å; V137-A141 PolarHBondContact O-N 2.93Å
138G98.8Very high98.7Very high37 Ų3711.6 Ų11.638%0.3818%0.082SC..Hα-helixtrans-59.4-46.8176.100000112.8V134 P135 L136 L140 A141 A142V134-G138 PolarHBondContact O-N 3.06Å; P135-G138 PolarHBondContact O-N 2.86Å; L136-G138 VanDerWaalsContact C-N 3.3Å; L136-G138 PolarHBondContact O-N 2.86Å; G138-L140 PolarHBondContact O-N 3.38Å; G138-A141 PolarHBondContact O-N 3.07Å; G138-A142 VanDerWaalsContact O-CB 3.31Å; G138-A142 WeakPolarHBondContact O-CB 3.39Å; G138-A142 PolarHBondContact O-N 3.47Å
139A98.9Very high98.7Very high9 Ų912 Ų127%0.0748%0.083CC..Hα-helixtrans-62.9-42.6-179.500000112.6V119 I121 P135 L136 V137 A142 G143 N144 V146V119-A139 HydrophobicContact CG1-CB 4.34Å; I121-A139 HydrophobicContact CD1-CB 4.33Å; P135-A139 PolarHBondContact O-N 3.27Å; L136-A139 PolarHBondContact O-N 3.13Å; V137-A139 PolarHBondContact O-N 3.03Å; A139-A142 PolarHBondContact O-N 2.99Å; A139-G143 PolarHBondContact O-N 3.45Å; A139-N144 WeakPolarHBondContact O-CB 3.36Å; A139-N144 PolarHBondContact O-N 3.42Å; A139-N144 PolarHBondContact O-ND2 3.31Å; A139-V146 HydrophobicContact CB-CG2 3.63Å
140L98.8Very high98.7Very high7 Ų712 Ų124%0.0378%0.084CC..Hα-helixtrans-69.6-42.8177.2-67.3171.3000112Q40 L41 L44 L136 V137 G138 A142 G143 V146Q40-L140 HydrophobicContact CB-CD1 4.11Å; Q40-L140 HydrophobicContact CB-CD2 4.23Å; Q40-L140 HydrophobicContact CG-CD2 4.38Å; L41-L140 HydrophobicContact CD2-CB 4.36Å; L44-L140 HydrophobicContact CD1-CD1 3.4Å; L44-L140 VanDerWaalsContact CD1-CD1 3.4Å; L44-L140 HydrophobicContact CG-CD1 4.4Å; L136-L140 HydrophobicContact CD1-CD1 3.82Å; L136-L140 HydrophobicContact CD1-CD2 4.42Å; L136-L140 HydrophobicContact CD1-CG 3.87Å; L136-L140 HydrophobicContact CG-CD1 3.84Å; L136-L140 HydrophobicContact CG-CG 4.31Å; L136-L140 WeakPolarHBondContact O-CB 3.37Å; L136-L140 WeakPolarHBondContact O-CG 3.48Å; L136-L140 PolarHBondContact O-N 3.24Å; V137-L140 PolarHBondContact O-N 3.42Å; G138-L140 PolarHBondContact O-N 3.38Å; L140-A142 VanDerWaalsContact C-N 3.27Å; L140-A142 PolarHBondContact O-N 3.5Å; L140-G143 WeakPolarHBondContact O-CA 3.32Å; L140-G143 PolarHBondContact O-N 3.22Å; L140-V146 HydrophobicContact CD2-CG2 4.36Å
141A98.8Very high98.7Very high8 Ų811.1 Ų11.17%0.0668%0.079CC..Hα-helixtrans-62.1-35.8176.300000112.1R37 L41 A85 L89 V137 G138 G143R37-A141 WeakPolarHBondContact CD-O 3.43Å; R37-A141 PolarHBondContact NH1-O 3.44Å; L41-A141 HydrophobicContact CD1-CB 4.19Å; A85-A141 HydrophobicContact CB-CB 4.38Å; L89-A141 HydrophobicContact CD1-CB 4.09Å; L89-A141 WeakPolarHBondContact CD1-O 3.46Å; V137-A141 VanDerWaalsContact O-CB 3.23Å; V137-A141 WeakPolarHBondContact O-CB 3.48Å; V137-A141 PolarHBondContact O-N 2.93Å; G138-A141 PolarHBondContact O-N 3.07Å; A141-G143 VanDerWaalsContact C-N 3.25Å; A141-G143 PolarHBondContact O-N 3.5Å
142A98.8Very high98.6Very high42 Ų4211.9 Ų11.935%0.3478%0.082SC..Hα-helixtrans-71.6-17.6173.800000113.4R37 P115 G138 A139 L140 N144R37-A142 PolarHBondContact NH1-O 3.16Å; P115-A142 WeakPolarHBondContact CB-O 3.34Å; G138-A142 VanDerWaalsContact O-CB 3.31Å; G138-A142 WeakPolarHBondContact O-CB 3.39Å; G138-A142 PolarHBondContact O-N 3.47Å; A139-A142 PolarHBondContact O-N 2.99Å; L140-A142 VanDerWaalsContact C-N 3.27Å; L140-A142 PolarHBondContact O-N 3.5Å; A142-N144 WeakPolarHBondContact CB-ND2 3.34Å
143G98.6Very high98.6Very high1 Ų116.5 Ų16.51%0.0111%0.105CC..THydrogen-bonded Turntrans91.231.2176.700000114.1T31 P115 A139 L140 A141T31-G143 WeakPolarHBondContact CB-O 3.46Å; T31-G143 PolarHBondContact OG1-O 2.94Å; P115-G143 VanDerWaalsContact CB-O 3.27Å; P115-G143 WeakPolarHBondContact CB-O 3.27Å; A139-G143 PolarHBondContact O-N 3.45Å; L140-G143 WeakPolarHBondContact O-CA 3.32Å; L140-G143 PolarHBondContact O-N 3.22Å; A141-G143 VanDerWaalsContact C-N 3.25Å; A141-G143 PolarHBondContact O-N 3.5Å
144N98.9Very high98.5Very high6 Ų616.5 Ų16.53%0.03211%0.106CC..  trans-90.9158.5177.6-58.8-72.9000111.9P115 F116 G117 V119 A139 A142P115-N144 WeakPolarHBondContact CB-OD1 3.42Å; F116-N144 PolarHBondContact N-OD1 3.37Å; G117-N144 PolarHBondContact N-OD1 3.42Å; G117-N144 WeakPolarHBondContact O-CA 3.15Å; G117-N144 WeakPolarHBondContact O-CB 3.42Å; V119-N144 HydrophobicContact CB-CB 4.36Å; V119-N144 HydrophobicContact CG2-CB 3.55Å; A139-N144 WeakPolarHBondContact O-CB 3.36Å; A139-N144 PolarHBondContact O-N 3.42Å; A139-N144 PolarHBondContact O-ND2 3.31Å; A142-N144 WeakPolarHBondContact CB-ND2 3.34Å
145C98.8Very high98.5Very high0 Ų021.2 Ų21.20%012%0.123CC..EExtended strand (participates in β ladder)trans-83.7149.1156.5-69.10000109.1L22 G117 L118 V119 C173L22-C145 HydrophobicContact CB-CB 4.28Å; L22-C145 PolarHBondContact O-SG 2.89Å; L22-C145 VanDerWaalsContact O-SG 3.33Å; G117-C145 PolarHBondContact O-N 3.24Å; L118-C145 HydrophobicContact CD1-CB 3.9Å; V119-C145 PolarHBondContact N-O 2.91Å; C145-C173 CarbonylContact C-O 3.59Å; C145-C173 VanDerWaalsContact CA-O 3.24Å; C145-C173 WeakPolarHBondContact CA-O 3.42Å; C145-C173 WeakPolarHBondContact CB-O 3.4Å
146V98.9Very high98.5Very high0 Ų023 Ų230%013%0.132CC..EExtended strand (participates in β ladder)trans-133.5136.5-170-172.50000112.3V119 I121 L136 A139 L140 L148 C173 F174 A175V119-V146 CarbonylContact O-C 3.57Å; V119-V146 WeakPolarHBondContact O-CA 3.34Å; I121-V146 HydrophobicContact CD1-CG1 3.78Å; I121-V146 HydrophobicContact CG1-CG1 4.13Å; L136-V146 HydrophobicContact CD1-CB 3.97Å; L136-V146 HydrophobicContact CD1-CG1 3.73Å; L136-V146 HydrophobicContact CD1-CG2 4.02Å; A139-V146 HydrophobicContact CB-CG2 3.63Å; L140-V146 HydrophobicContact CD2-CG2 4.36Å; V146-L148 HydrophobicContact CG1-CD2 3.85Å; V146-L148 HydrophobicContact CG1-CG 4.49Å; V146-C173 PolarHBondContact N-O 3.31Å; V146-F174 HydrophobicContact CB-CD2 4.35Å; V146-F174 CarbonylContact O-C 3.54Å; V146-F174 WeakPolarHBondContact O-CA 3.34Å; V146-A175 PolarHBondContact O-N 3.28Å
147V98.8Very high98.5Very high0 Ų023.1 Ų23.10%013%0.132CC..EExtended strand (participates in β ladder)trans-109123.9162.4-179.60000108.2L19 L22 L118 V119 L120 I121 A175 V177 L187 F192L19-V147 HydrophobicContact CD2-CG2 3.74Å; L22-V147 HydrophobicContact CD1-CG2 3.47Å; L22-V147 VanDerWaalsContact CD1-CG2 3.47Å; L118-V147 HydrophobicContact CD1-CG2 4.18Å; V119-V147 PolarHBondContact O-N 3.13Å; L120-V147 WeakPolarHBondContact CA-O 3.45Å; L120-V147 HydrophobicContact CD1-CB 4.06Å; L120-V147 HydrophobicContact CD1-CG1 3.93Å; I121-V147 PolarHBondContact N-O 3.1Å; V147-A175 CarbonylContact C-O 3.56Å; V147-A175 WeakPolarHBondContact CA-O 3.37Å; V147-V177 HydrophobicContact CG1-CB 4.36Å; V147-V177 HydrophobicContact CG1-CG2 3.79Å; V147-L187 HydrophobicContact CG1-CD2 4.18Å; V147-F192 HydrophobicContact CB-CE1 4.14Å; V147-F192 HydrophobicContact CG2-CE1 3.95Å; V147-F192 HydrophobicContact CG2-CZ 4.45Å
148L98.6Very high98.4Very high0 Ų024.2 Ų24.20%014%0.137CC..EExtended strand (participates in β ladder)trans-94.8138170.4-60.6-174.4000110.7I121 T132 L136 V146 L165 F174 A175 V176 V177I121-L148 HydrophobicContact CB-CD2 3.74Å; I121-L148 HydrophobicContact CD1-CD2 3.84Å; I121-L148 HydrophobicContact CG1-CD2 4.25Å; I121-L148 HydrophobicContact CG2-CD2 4.16Å; T132-L148 HydrophobicContact CG2-CD1 3.76Å; T132-L148 HydrophobicContact CG2-CD2 4.2Å; T132-L148 HydrophobicContact CG2-CG 4.46Å; L136-L148 HydrophobicContact CB-CD2 4.33Å; L136-L148 HydrophobicContact CD1-CD2 4.15Å; L136-L148 HydrophobicContact CD2-CD1 4.02Å; L136-L148 HydrophobicContact CD2-CD2 4.49Å; V146-L148 HydrophobicContact CG1-CD2 3.85Å; V146-L148 HydrophobicContact CG1-CG 4.49Å; L148-L165 HydrophobicContact CD1-CD2 4.07Å; L148-F174 HydrophobicContact CD1-CE2 3.55Å; L148-F174 HydrophobicContact CD1-CZ 3.44Å; L148-F174 VanDerWaalsContact CD1-CZ 3.44Å; L148-F174 HydrophobicContact CD2-CE2 4.43Å; L148-F174 HydrophobicContact CG-CE2 3.6Å; L148-F174 HydrophobicContact CG-CZ 3.85Å; L148-A175 PolarHBondContact N-O 3.36Å; L148-V176 HydrophobicContact CB-CG1 4.42Å; L148-V176 HydrophobicContact CB-CG2 4.24Å; L148-V176 HydrophobicContact CD1-CG2 4.3Å; L148-V176 CarbonylContact O-C 3.56Å; L148-V176 WeakPolarHBondContact O-CA 3.37Å; L148-V177 PolarHBondContact O-N 3.37Å
149K98.5Very high98.4Very high9 Ų927.6 Ų27.64%0.03914%0.141CC..EExtended strand (participates in β ladder)trans-121.789.4165.9-162.8-82.4151.3154.80108L120 I121 I122 A123 E152 G179 T184 L187L120-K149 HydrophobicContact CD1-CB 4.41Å; I121-K149 PolarHBondContact O-N 3.4Å; I122-K149 WeakPolarHBondContact CA-O 3.35Å; I122-K149 HydrophobicContact CG1-CB 4.15Å; I122-K149 HydrophobicContact CG2-CD 4.16Å; A123-K149 PolarHBondContact N-O 2.98Å; K149-E152 IonicContact NZ-OE2 2.92Å; K149-E152 PolarHBondContact NZ-OE2 3.19Å; K149-G179 WeakPolarHBondContact CE-O 3.46Å; K149-G179 PolarHBondContact NZ-O 3.02Å; K149-T184 WeakPolarHBondContact CE-OG1 3.39Å; K149-T184 PolarHBondContact NZ-OG1 3.36Å; K149-L187 HydrophobicContact CB-CD1 4.17Å; K149-L187 HydrophobicContact CG-CD1 3.9Å
150P98.3Very high98.4Very high2 Ų227.8 Ų27.81%0.01314%0.141CC..  trans-69.2166.1171.131.2-35.8000110.8E158 L161 V176 L178P150-E158 HydrophobicContact CB-CB 3.83Å; P150-E158 HydrophobicContact CG-CB 3.67Å; P150-L161 HydrophobicContact CB-CD1 3.93Å; P150-V176 HydrophobicContact CG-CG1 3.96Å; P150-L178 HydrophobicContact CG-CD2 3.73Å
151S98Very high98.4Very high9 Ų927.5 Ų27.56%0.06314%0.139CC..  trans-83.3130.6178.9-173.70000112.4A123 I153 S154A123-S151 PolarHBondContact O-N 3.41Å; S151-I153 PolarHBondContact O-N 2.89Å; S151-I153 VanDerWaalsContact O-N 3.08Å; S151-I153 PolarHBondContact OG-N 3.38Å; S151-S154 PolarHBondContact O-N 3.47Å; S151-S154 VanDerWaalsContact O-N 3.07Å
152E97Very high98.4Very high56 Ų5628.3 Ų28.326%0.26215%0.146SC..THydrogen-bonded Turntrans-62.3-10.717470-81.2-162.100114.9K149 K155 E158 G180K149-E152 IonicContact NZ-OE2 2.92Å; K149-E152 PolarHBondContact NZ-OE2 3.19Å; E152-K155 VanDerWaalsContact O-CG 3.25Å; E152-K155 WeakPolarHBondContact O-CG 3.5Å; E152-E158 VanDerWaalsContact CA-OE2 3.24Å; E152-E158 WeakPolarHBondContact CA-OE2 3.36Å; E152-E158 PolarHBondContact N-OE2 2.84Å; E152-G180 WeakPolarHBondContact OE1-CA 3.2Å
153I97.9Very high98.3Very high98 Ų9830.7 Ų30.750%0.50315%0.15SC..THydrogen-bonded Turntrans-79.3-34.5175.8-64.6169.5000109.9W125 S151 K155W125-I153 HydrophobicContact CB-CB 3.69Å; W125-I153 HydrophobicContact CB-CG2 3.8Å; W125-I153 HydrophobicContact CD2-CG2 4.16Å; W125-I153 HydrophobicContact CG-CB 4Å; W125-I153 HydrophobicContact CG-CD1 4.06Å; W125-I153 HydrophobicContact CG-CG2 3.83Å; S151-I153 PolarHBondContact O-N 2.89Å; S151-I153 VanDerWaalsContact O-N 3.08Å; S151-I153 PolarHBondContact OG-N 3.38Å; I153-K155 PolarHBondContact O-N 3.45Å
154S97.8Very high98.3Very high3 Ų331.7 Ų31.72%0.02116%0.156CC..SBendtrans-94.167.8176.4-56.30000110.5D62 W125 S151 N156 V157 E158D62-S154 WeakPolarHBondContact OD2-CA 3.33Å; W125-S154 WeakPolarHBondContact CA-OG 3.49Å; W125-S154 WeakPolarHBondContact CB-OG 3.35Å; W125-S154 PolarHBondContact O-OG 3.31Å; S151-S154 PolarHBondContact O-N 3.47Å; S151-S154 VanDerWaalsContact O-N 3.07Å; S154-N156 PolarHBondContact O-N 3.29Å; S154-V157 PolarHBondContact O-N 3.26Å; S154-E158 PolarHBondContact O-N 2.75Å
155K97.8Very high98.3Very high139 Ų13931.4 Ų31.460%0.60415%0.154SC*.Hα-helixtrans-59.9-38.6-167.8-66.9-179.1-178.4177.70114.2D62 E152 I153 E158 K159D62-K155 PolarHBondContact OD1-N 2.91Å; D62-K155 PolarHBondContact OD2-N 3.07Å; E152-K155 VanDerWaalsContact O-CG 3.25Å; E152-K155 WeakPolarHBondContact O-CG 3.5Å; I153-K155 PolarHBondContact O-N 3.45Å; K155-E158 WeakPolarHBondContact O-CG 3.23Å; K155-K159 VanDerWaalsContact O-CB 3.32Å; K155-K159 WeakPolarHBondContact O-CB 3.47Å; K155-K159 PolarHBondContact O-N 2.96Å
156N98.6Very high98.3Very high57 Ų5732.3 Ų32.331%0.30516%0.16SC..Hα-helixtrans-74.8-40.3-178.8-64.9-73.7000110.5A58 Q61 D62 S154 I160A58-N156 HydrophobicContact CB-CB 3.74Å; Q61-N156 PolarHBondContact OE1-OD1 3.34Å; D62-N156 WeakPolarHBondContact OD1-CB 3.44Å; D62-N156 PolarHBondContact OD1-N 3.28Å; D62-N156 VanDerWaalsContact OD1-N 3.09Å; D62-N156 PolarHBondContact OD1-ND2 3.02Å; D62-N156 PolarHBondContact OD2-N 2.86Å; S154-N156 PolarHBondContact O-N 3.29Å; N156-I160 WeakPolarHBondContact O-CG1 3.37Å; N156-I160 PolarHBondContact O-N 3.39Å
157V98.6Very high98.3Very high1 Ų139.2 Ų39.21%0.00619%0.192CC..Hα-helixtrans-67.3-46.9177175.50000111.6A58 L59 D62 P128 L129 S154 K159 I160 L161A58-V157 HydrophobicContact CB-CG2 3.96Å; L59-V157 HydrophobicContact CD2-CG2 3.91Å; L59-V157 HydrophobicContact CG-CG2 4.16Å; D62-V157 WeakPolarHBondContact OD2-CG2 3.43Å; D62-V157 PolarHBondContact OD2-N 2.85Å; P128-V157 HydrophobicContact CB-CB 4.24Å; P128-V157 HydrophobicContact CB-CG1 3.82Å; P128-V157 HydrophobicContact CG-CB 4.09Å; P128-V157 HydrophobicContact CG-CG1 3.93Å; P128-V157 HydrophobicContact CG-CG2 3.97Å; L129-V157 HydrophobicContact CD2-CG1 3.55Å; L129-V157 HydrophobicContact CG-CG1 3.92Å; S154-V157 PolarHBondContact O-N 3.26Å; V157-K159 PolarHBondContact O-N 2.87Å; V157-I160 PolarHBondContact O-N 3.48Å; V157-L161 HydrophobicContact CG1-CD1 4.04Å; V157-L161 HydrophobicContact CG1-CG 4.39Å; V157-L161 WeakPolarHBondContact O-CG 3.06Å; V157-L161 PolarHBondContact O-N 3.03Å
158E97.7Very high98.3Very high25 Ų2541.1 Ų41.112%0.11720%0.2CC..Hα-helixtrans-60.6-35.7179.374.6176164.900111.9P150 E152 S154 K155 L161 A162 L178P150-E158 HydrophobicContact CB-CB 3.83Å; P150-E158 HydrophobicContact CG-CB 3.67Å; E152-E158 VanDerWaalsContact CA-OE2 3.24Å; E152-E158 WeakPolarHBondContact CA-OE2 3.36Å; E152-E158 PolarHBondContact N-OE2 2.84Å; S154-E158 PolarHBondContact O-N 2.75Å; K155-E158 WeakPolarHBondContact O-CG 3.23Å; E158-L161 PolarHBondContact O-N 2.99Å; E158-A162 WeakPolarHBondContact O-CB 3.44Å; E158-A162 PolarHBondContact O-N 3.3Å; E158-L178 HydrophobicContact CB-CD2 3.94Å; E158-L178 HydrophobicContact CG-CD2 4.09Å
159K98.4Very high98.2Very high108 Ų10841.5 Ų41.547%0.4720%0.202SC..Hα-helixtrans-65.1-44.7177.2-174.7179.9179.4-175.60111.5K155 V157 L161 A162 E163K155-K159 VanDerWaalsContact O-CB 3.32Å; K155-K159 WeakPolarHBondContact O-CB 3.47Å; K155-K159 PolarHBondContact O-N 2.96Å; V157-K159 PolarHBondContact O-N 2.87Å; K159-L161 VanDerWaalsContact C-N 3.31Å; K159-L161 PolarHBondContact O-N 3.31Å; K159-A162 PolarHBondContact O-N 3.31Å; K159-E163 WeakPolarHBondContact CE-OE1 3.39Å; K159-E163 WeakPolarHBondContact CE-OE2 3.25Å; K159-E163 HydrophobicContact CG-CG 4.26Å; K159-E163 WeakPolarHBondContact CG-OE1 3.49Å; K159-E163 WeakPolarHBondContact O-CB 3.37Å; K159-E163 WeakPolarHBondContact O-CG 3.44Å; K159-E163 PolarHBondContact O-N 3.42Å
160I98.7Very high98.2Very high13 Ų1343.9 Ų43.97%0.06722%0.215CC..Hα-helixtrans-62.3-42.1175.6-67.3162000110.5F47 L54 L55 A58 N156 V157 A162 E163 V164 L165F47-I160 HydrophobicContact CE2-CG2 4.03Å; F47-I160 HydrophobicContact CZ-CG2 4.01Å; L54-I160 HydrophobicContact CD1-CD1 4.06Å; L54-I160 HydrophobicContact CD1-CG1 4.45Å; L54-I160 HydrophobicContact CD2-CD1 4.32Å; L54-I160 HydrophobicContact CD2-CG1 4.21Å; L54-I160 HydrophobicContact CD2-CG2 4.33Å; L54-I160 HydrophobicContact CG-CD1 3.73Å; L54-I160 HydrophobicContact CG-CG1 4.14Å; L55-I160 HydrophobicContact CD2-CG2 3.81Å; A58-I160 HydrophobicContact CB-CD1 3.34Å; N156-I160 WeakPolarHBondContact O-CG1 3.37Å; N156-I160 PolarHBondContact O-N 3.39Å; V157-I160 PolarHBondContact O-N 3.48Å; I160-A162 VanDerWaalsContact C-N 3.28Å; I160-A162 PolarHBondContact O-N 3.22Å; I160-E163 PolarHBondContact O-N 3.37Å; I160-V164 HydrophobicContact CG2-CB 4.04Å; I160-V164 HydrophobicContact CG2-CG2 4.08Å; I160-V164 WeakPolarHBondContact O-CA 3.42Å; I160-V164 VanDerWaalsContact O-CB 3.31Å; I160-V164 WeakPolarHBondContact O-CB 3.34Å; I160-V164 PolarHBondContact O-N 3.11Å; I160-L165 PolarHBondContact O-N 2.87Å
161L98.6Very high98.2Very high0 Ų049 Ų490%024%0.239CC..Hα-helixtrans-62.8-35.3176.1-67.6172.3000111.9F47 L129 T132 L133 P150 V157 E158 K159 L165 P166 V176F47-L161 HydrophobicContact CE1-CD2 4.36Å; F47-L161 HydrophobicContact CZ-CD2 4.24Å; L129-L161 HydrophobicContact CD2-CD2 4.05Å; L129-L161 HydrophobicContact CD2-CG 4.38Å; T132-L161 HydrophobicContact CG2-CD1 4.04Å; L133-L161 HydrophobicContact CD2-CD2 4.04Å; P150-L161 HydrophobicContact CB-CD1 3.93Å; V157-L161 HydrophobicContact CG1-CD1 4.04Å; V157-L161 HydrophobicContact CG1-CG 4.39Å; V157-L161 WeakPolarHBondContact O-CG 3.06Å; V157-L161 PolarHBondContact O-N 3.03Å; E158-L161 PolarHBondContact O-N 2.99Å; K159-L161 VanDerWaalsContact C-N 3.31Å; K159-L161 PolarHBondContact O-N 3.31Å; L161-L165 HydrophobicContact CD2-CD2 3.95Å; L161-L165 WeakPolarHBondContact O-CB 3.23Å; L161-P166 WeakPolarHBondContact O-CD 3.34Å; L161-V176 WeakPolarHBondContact O-CG2 3.45Å
162A98.2Very high98.1Very high25 Ų2549.4 Ų49.421%0.20724%0.242CC..Hα-helixtrans-79.8-33.7178.500000114E158 K159 I160 P166 V176 L178E158-A162 WeakPolarHBondContact O-CB 3.44Å; E158-A162 PolarHBondContact O-N 3.3Å; K159-A162 PolarHBondContact O-N 3.31Å; I160-A162 VanDerWaalsContact C-N 3.28Å; I160-A162 PolarHBondContact O-N 3.22Å; A162-P166 VanDerWaalsContact O-CG 3.3Å; A162-P166 WeakPolarHBondContact O-CG 3.33Å; A162-V176 HydrophobicContact CB-CB 4.37Å; A162-V176 HydrophobicContact CB-CG1 4.07Å; A162-L178 HydrophobicContact CB-CD1 3.83Å; A162-L178 HydrophobicContact CB-CD2 4.01Å; A162-L178 HydrophobicContact CB-CG 4.05Å
163E98.1Very high98.1Very high93 Ų9346.9 Ų46.944%0.43523%0.231SC..Hα-helixtrans-101.9-31.5-170.9-65.9-179.8-177.600113.5K159 I160 Q167K159-E163 WeakPolarHBondContact CE-OE1 3.39Å; K159-E163 WeakPolarHBondContact CE-OE2 3.25Å; K159-E163 HydrophobicContact CG-CG 4.26Å; K159-E163 WeakPolarHBondContact CG-OE1 3.49Å; K159-E163 WeakPolarHBondContact O-CB 3.37Å; K159-E163 WeakPolarHBondContact O-CG 3.44Å; K159-E163 PolarHBondContact O-N 3.42Å; I160-E163 PolarHBondContact O-N 3.37Å; E163-Q167 PolarHBondContact O-NE2 3.26Å
164V98.7Very high98.2Very high22 Ų2242.5 Ų42.513%0.13321%0.208CC..THydrogen-bonded Turntrans-104.2-48.9-171.9-174.70000111.5F47 L54 I160 P166 Q167 Y168F47-V164 HydrophobicContact CD2-CG1 4.1Å; F47-V164 HydrophobicContact CE2-CB 4.1Å; F47-V164 HydrophobicContact CE2-CG1 3.91Å; L54-V164 HydrophobicContact CD2-CG2 4.29Å; I160-V164 HydrophobicContact CG2-CB 4.04Å; I160-V164 HydrophobicContact CG2-CG2 4.08Å; I160-V164 WeakPolarHBondContact O-CA 3.42Å; I160-V164 VanDerWaalsContact O-CB 3.31Å; I160-V164 WeakPolarHBondContact O-CB 3.34Å; I160-V164 PolarHBondContact O-N 3.11Å; V164-P166 VanDerWaalsContact C-CD 3.4Å; V164-P166 VanDerWaalsContact C-N 3.34Å; V164-Q167 VanDerWaalsContact O-CB 3.29Å; V164-Q167 WeakPolarHBondContact O-CB 3.18Å; V164-Q167 WeakPolarHBondContact O-CG 3.19Å; V164-Q167 PolarHBondContact O-N 2.99Å; V164-Y168 HydrophobicContact CG1-CE2 3.97Å; V164-Y168 WeakPolarHBondContact O-CD2 3.39Å
165L98.6Very high98.2Very high0 Ų042.9 Ų42.90%021%0.211CC..G310 helixtrans-55-38.8-178.3176.459.7000114L44 F47 L133 L136 L148 I160 L161 Q167 Y168 V169 F174L44-L165 HydrophobicContact CD2-CD1 3.59Å; F47-L165 HydrophobicContact CB-CD1 4.22Å; F47-L165 HydrophobicContact CD1-CD1 3.84Å; F47-L165 HydrophobicContact CD2-CB 4.22Å; F47-L165 HydrophobicContact CD2-CD1 4.22Å; F47-L165 HydrophobicContact CE1-CD1 4.24Å; F47-L165 HydrophobicContact CE2-CB 3.95Å; F47-L165 HydrophobicContact CG-CD1 3.81Å; F47-L165 HydrophobicContact CZ-CB 4.11Å; L133-L165 HydrophobicContact CD2-CD2 4.15Å; L136-L165 HydrophobicContact CD2-CD2 4.2Å; L148-L165 HydrophobicContact CD1-CD2 4.07Å; I160-L165 PolarHBondContact O-N 2.87Å; L161-L165 HydrophobicContact CD2-CD2 3.95Å; L161-L165 WeakPolarHBondContact O-CB 3.23Å; L165-Q167 PolarHBondContact O-N 2.66Å; L165-Y168 PolarHBondContact O-N 3.47Å; L165-V169 HydrophobicContact CD1-CG1 4.31Å; L165-V169 HydrophobicContact CD1-CG2 4.5Å; L165-V169 HydrophobicContact CG-CG2 4.43Å; L165-V169 PolarHBondContact O-N 3.44Å; L165-F174 HydrophobicContact CD2-CE1 4.2Å; L165-F174 HydrophobicContact CD2-CE2 4.38Å; L165-F174 HydrophobicContact CD2-CZ 3.58Å; L165-F174 HydrophobicContact CG-CE1 4.15Å; L165-F174 HydrophobicContact CG-CZ 4.01Å
166P98.3Very high98.2Very high19 Ų1936.8 Ų36.812%0.12319%0.186CC..G310 helixtrans-62.5-12177.7-2536.7000115L161 A162 V164 Y168 V169 Q171 F174L161-P166 WeakPolarHBondContact O-CD 3.34Å; A162-P166 VanDerWaalsContact O-CG 3.3Å; A162-P166 WeakPolarHBondContact O-CG 3.33Å; V164-P166 VanDerWaalsContact C-CD 3.4Å; V164-P166 VanDerWaalsContact C-N 3.34Å; P166-Y168 VanDerWaalsContact C-N 3.28Å; P166-V169 VanDerWaalsContact O-O 3.14Å; P166-Q171 HydrophobicContact CB-CG 3.86Å; P166-Q171 VanDerWaalsContact O-CG 3.29Å; P166-Q171 WeakPolarHBondContact O-CG 3.41Å; P166-Q171 PolarHBondContact O-NE2 2.71Å; P166-F174 HydrophobicContact CG-CE1 4.28Å
167Q98.3Very high98.2Very high144 Ų14434.9 Ų34.967%0.67318%0.176SC*.G310 helixtrans-79.2-16.2174.3-54.2177.839.400112E163 V164 L165E163-Q167 PolarHBondContact O-NE2 3.26Å; V164-Q167 VanDerWaalsContact O-CB 3.29Å; V164-Q167 WeakPolarHBondContact O-CB 3.18Å; V164-Q167 WeakPolarHBondContact O-CG 3.19Å; V164-Q167 PolarHBondContact O-N 2.99Å; L165-Q167 PolarHBondContact O-N 2.66Å
168Y98.8Very high98.1Very high41 Ų4137.6 Ų37.616%0.16119%0.19CC..THydrogen-bonded Turntrans-106.7-19-174.8-70.3-90.7000113.9G43 R46 F47 E50 N51 V164 L165 P166G43-Y168 VanDerWaalsContact CA-O 3.27Å; G43-Y168 WeakPolarHBondContact CA-O 3.32Å; R46-Y168 HydrophobicContact CB-CD1 3.8Å; R46-Y168 HydrophobicContact CB-CE1 3.84Å; F47-Y168 HydrophobicContact CB-CD1 3.98Å; F47-Y168 HydrophobicContact CB-CD2 3.85Å; F47-Y168 HydrophobicContact CB-CE1 4.46Å; F47-Y168 HydrophobicContact CB-CE2 4.34Å; F47-Y168 HydrophobicContact CB-CG 3.65Å; F47-Y168 AromaticContact CD2-CD2 3.85Å; F47-Y168 HydrophobicContact CD2-CD2 3.85Å; F47-Y168 HydrophobicContact CD2-CE2 4.06Å; F47-Y168 HydrophobicContact CG-CD2 4.32Å; E50-Y168 WeakPolarHBondContact OE2-CE1 3.37Å; E50-Y168 PolarHBondContact OE2-OH 3.44Å; N51-Y168 WeakPolarHBondContact ND2-CE2 3.48Å; N51-Y168 PolarHBondContact ND2-OH 3.4Å; N51-Y168 VanDerWaalsContact ND2-OH 3.07Å; V164-Y168 HydrophobicContact CG1-CE2 3.97Å; V164-Y168 WeakPolarHBondContact O-CD2 3.39Å; L165-Y168 PolarHBondContact O-N 3.47Å; P166-Y168 VanDerWaalsContact C-N 3.28Å
169V98.1Very high97.9Very high8 Ų837.2 Ų37.25%0.04819%0.193CC..SBendtrans-123.3152.8-179.7-62.30000110.6L44 L165 P166 Q171 F174L44-V169 HydrophobicContact CG-CG1 4.19Å; L165-V169 HydrophobicContact CD1-CG1 4.31Å; L165-V169 HydrophobicContact CD1-CG2 4.5Å; L165-V169 HydrophobicContact CG-CG2 4.43Å; L165-V169 PolarHBondContact O-N 3.44Å; P166-V169 VanDerWaalsContact O-O 3.14Å; V169-Q171 PolarHBondContact O-N 2.83Å; V169-F174 HydrophobicContact CG2-CB 4Å; V169-F174 HydrophobicContact CG2-CD1 3.37Å; V169-F174 HydrophobicContact CG2-CD2 4.18Å; V169-F174 HydrophobicContact CG2-CE1 3.79Å; V169-F174 HydrophobicContact CG2-CG 3.58Å; V169-F174 HydrophobicContact CG2-CZ 4.35Å
170D98.1Very high97.6Very high58 Ų5832.7 Ų32.731%0.3118%0.177SC..  trans-68.9106.7-177.2-170.9-39.6000110.4F36 S172 C173 F174F36-D170 HydrophobicContact CE2-CB 4.04Å; F36-D170 HydrophobicContact CZ-CB 3.9Å; D170-S172 PolarHBondContact O-N 3.06Å; D170-S172 VanDerWaalsContact O-N 3.1Å; D170-S172 WeakPolarHBondContact OD1-CA 3.17Å; D170-S172 WeakPolarHBondContact OD1-CB 3.44Å; D170-S172 PolarHBondContact OD1-N 2.79Å; D170-S172 PolarHBondContact OD1-OG 3.07Å; D170-C173 PolarHBondContact O-N 2.84Å; D170-F174 PolarHBondContact O-N 2.94Å
171Q97.4Very high97.3Very high109 Ų10937.1 Ų37.151%0.50921%0.207SC..THydrogen-bonded Turntrans-61.4-19.5-178.4-61.7-17535.100112.9R21 P166 V169 C173 F174R21-Q171 PolarHBondContact NH1-O 3.28Å; P166-Q171 HydrophobicContact CB-CG 3.86Å; P166-Q171 VanDerWaalsContact O-CG 3.29Å; P166-Q171 WeakPolarHBondContact O-CG 3.41Å; P166-Q171 PolarHBondContact O-NE2 2.71Å; V169-Q171 PolarHBondContact O-N 2.83Å; Q171-C173 PolarHBondContact O-N 2.96Å; Q171-F174 PolarHBondContact O-N 3.42Å
172S96.8Very high97.1Very high19 Ų1943.6 Ų43.613%0.13324%0.237CC..THydrogen-bonded Turntrans-65.7-21.1173.974.30000113.1A25 R30 D170A25-S172 WeakPolarHBondContact CB-O 2.79Å; R30-S172 PolarHBondContact NH1-OG 3.29Å; D170-S172 PolarHBondContact O-N 3.06Å; D170-S172 VanDerWaalsContact O-N 3.1Å; D170-S172 WeakPolarHBondContact OD1-CA 3.17Å; D170-S172 WeakPolarHBondContact OD1-CB 3.44Å; D170-S172 PolarHBondContact OD1-N 2.79Å; D170-S172 PolarHBondContact OD1-OG 3.07Å
173C97.4Very high96.9Very high3 Ų345.4 Ų45.42%0.0224%0.241CC..SBendtrans-120.54.7-178.2-62.90000113.3T31 F36 C145 V146 D170 Q171T31-C173 HydrophobicContact CG2-CB 4Å; T31-C173 VanDerWaalsContact CG2-SG 3.57Å; F36-C173 HydrophobicContact CE1-CB 4.49Å; F36-C173 HydrophobicContact CZ-CB 4.15Å; C145-C173 CarbonylContact C-O 3.59Å; C145-C173 VanDerWaalsContact CA-O 3.24Å; C145-C173 WeakPolarHBondContact CA-O 3.42Å; C145-C173 WeakPolarHBondContact CB-O 3.4Å; V146-C173 PolarHBondContact N-O 3.31Å; D170-C173 PolarHBondContact O-N 2.84Å; Q171-C173 PolarHBondContact O-N 2.96Å
174F98.5Very high96.8Very high5 Ų541.6 Ų41.62%0.02223%0.225CC..EExtended strand (participates in β ladder)trans-140.8139.8-175.1178.3-97.3000111.6L136 V146 L148 L165 P166 V169 D170 Q171 V176L136-F174 HydrophobicContact CD1-CD2 4.12Å; L136-F174 HydrophobicContact CD1-CE2 3.83Å; L136-F174 HydrophobicContact CD2-CE2 3.97Å; V146-F174 HydrophobicContact CB-CD2 4.35Å; V146-F174 CarbonylContact O-C 3.54Å; V146-F174 WeakPolarHBondContact O-CA 3.34Å; L148-F174 HydrophobicContact CD1-CE2 3.55Å; L148-F174 HydrophobicContact CD1-CZ 3.44Å; L148-F174 VanDerWaalsContact CD1-CZ 3.44Å; L148-F174 HydrophobicContact CD2-CE2 4.43Å; L148-F174 HydrophobicContact CG-CE2 3.6Å; L148-F174 HydrophobicContact CG-CZ 3.85Å; L165-F174 HydrophobicContact CD2-CE1 4.2Å; L165-F174 HydrophobicContact CD2-CE2 4.38Å; L165-F174 HydrophobicContact CD2-CZ 3.58Å; L165-F174 HydrophobicContact CG-CE1 4.15Å; L165-F174 HydrophobicContact CG-CZ 4.01Å; P166-F174 HydrophobicContact CG-CE1 4.28Å; V169-F174 HydrophobicContact CG2-CB 4Å; V169-F174 HydrophobicContact CG2-CD1 3.37Å; V169-F174 HydrophobicContact CG2-CD2 4.18Å; V169-F174 HydrophobicContact CG2-CE1 3.79Å; V169-F174 HydrophobicContact CG2-CG 3.58Å; V169-F174 HydrophobicContact CG2-CZ 4.35Å; D170-F174 PolarHBondContact O-N 2.94Å; Q171-F174 PolarHBondContact O-N 3.42Å; F174-V176 HydrophobicContact CE1-CG2 3.57Å; F174-V176 HydrophobicContact CZ-CG2 3.6Å
175A98.2Very high96.5Very high11 Ų1142 Ų429%0.09123%0.234CC..EExtended strand (participates in β ladder)trans-145.6156.116900000111.1T18 L22 V146 V147 L148T18-A175 HydrophobicContact CG2-CB 3.56Å; L22-A175 HydrophobicContact CD1-CB 3.99Å; V146-A175 PolarHBondContact O-N 3.28Å; V147-A175 CarbonylContact C-O 3.56Å; V147-A175 WeakPolarHBondContact CA-O 3.37Å; L148-A175 PolarHBondContact N-O 3.36Å
176V98.4Very high96.3Very high12 Ų1246 Ų467%0.07325%0.252CS..EExtended strand (participates in β ladder)trans-115.5136.7168.7-175.50000107.3M12 L148 P150 L161 A162 F174 L178M12-V176 WeakPolarHBondContact CE-O 3.31Å; L148-V176 HydrophobicContact CB-CG1 4.42Å; L148-V176 HydrophobicContact CB-CG2 4.24Å; L148-V176 HydrophobicContact CD1-CG2 4.3Å; L148-V176 CarbonylContact O-C 3.56Å; L148-V176 WeakPolarHBondContact O-CA 3.37Å; P150-V176 HydrophobicContact CG-CG1 3.96Å; L161-V176 WeakPolarHBondContact O-CG2 3.45Å; A162-V176 HydrophobicContact CB-CB 4.37Å; A162-V176 HydrophobicContact CB-CG1 4.07Å; F174-V176 HydrophobicContact CE1-CG2 3.57Å; F174-V176 HydrophobicContact CZ-CG2 3.6Å; V176-L178 HydrophobicContact CG1-CD2 4.04Å
177V97.3Very high96.2Very high17 Ų1745.1 Ų45.110%0.10325%0.246CC..  trans-120.6117.8174.5176.40000107.8L15 V147 L148 L187L15-V177 HydrophobicContact CD1-CG2 4.05Å; V147-V177 HydrophobicContact CG1-CB 4.36Å; V147-V177 HydrophobicContact CG1-CG2 3.79Å; L148-V177 PolarHBondContact O-N 3.37Å; V177-L187 HydrophobicContact CB-CD1 3.99Å; V177-L187 HydrophobicContact CB-CD2 4.5Å; V177-L187 HydrophobicContact CG1-CD1 3.75Å; V177-L187 HydrophobicContact CG1-CD2 4.42Å; V177-L187 HydrophobicContact CG1-CG 4.18Å; V177-L187 HydrophobicContact CG2-CD2 4.25Å
178L96.6Very high96.1Very high57 Ų5739 Ų3930%0.29822%0.218SC..  trans-89.6160.1177.1-59.4-175.7000110.4P150 E158 A162 V176P150-L178 HydrophobicContact CG-CD2 3.73Å; E158-L178 HydrophobicContact CB-CD2 3.94Å; E158-L178 HydrophobicContact CG-CD2 4.09Å; A162-L178 HydrophobicContact CB-CD1 3.83Å; A162-L178 HydrophobicContact CB-CD2 4.01Å; A162-L178 HydrophobicContact CB-CG 4.05Å; V176-L178 HydrophobicContact CG1-CD2 4.04Å
179G93.5Very high95.9Very high18 Ų1844.7 Ų44.719%0.18625%0.246CC..  trans133.2176.9175.400000112.9K149 E183K149-G179 WeakPolarHBondContact CE-O 3.46Å; K149-G179 PolarHBondContact NZ-O 3.02Å; G179-E183 WeakPolarHBondContact CA-OE2 3.28Å
180G93.2Very high95.8Very high13 Ų1347.6 Ų47.613%0.13426%0.259CS..SBendtrans-96.8-151-176.900000113.7E152 Q182 E183 T184E152-G180 WeakPolarHBondContact OE1-CA 3.2Å; G180-Q182 PolarHBondContact O-N 3.4Å; G180-E183 PolarHBondContact N-OE2 2.93Å; G180-E183 PolarHBondContact O-N 3.5Å; G180-T184 WeakPolarHBondContact O-CB 3.4Å; G180-T184 PolarHBondContact O-N 2.8Å; G180-T184 PolarHBondContact O-OG1 2.88Å
181P92.9Very high95.7Very high106 Ų10653.7 Ų53.769%0.68828%0.278SS*.Hα-helixtrans-58.8-31.8177.7-26.536.1000113.7G185P181-G185 PolarHBondContact O-N 3.29Å
182Q94.1Very high95.7Very high136 Ų13649 Ų4964%0.63626%0.256SS*.Hα-helixtrans-65.7-52.2179.7179.9178.3-6.500111.4G180 T184 G185 Q186G180-Q182 PolarHBondContact O-N 3.4Å; Q182-T184 VanDerWaalsContact C-N 3.27Å; Q182-T184 PolarHBondContact O-N 3.2Å; Q182-G185 WeakPolarHBondContact O-CA 3.29Å; Q182-G185 PolarHBondContact O-N 2.86Å; Q182-G185 VanDerWaalsContact O-N 3.1Å; Q182-Q186 PolarHBondContact O-N 3.02Å
183E94.1Very high95.8Very high62 Ų6250.6 Ų50.629%0.2926%0.262SS..Hα-helixtrans-66.9-33.2179.2-65.573.7-159.600111.1G179 G180 G185 Q186 L187G179-E183 WeakPolarHBondContact CA-OE2 3.28Å; G180-E183 PolarHBondContact N-OE2 2.93Å; G180-E183 PolarHBondContact O-N 3.5Å; E183-G185 VanDerWaalsContact C-N 3.34Å; E183-Q186 PolarHBondContact O-N 3.22Å; E183-L187 PolarHBondContact O-N 2.96Å
184T94.6Very high95.8Very high14 Ų1455.7 Ų55.79%0.08628%0.282CS..Hα-helixtrans-64.8-40.5172.4-51.90000110.8I122 K149 G180 Q182 L187 L188I122-T184 HydrophobicContact CD1-CG2 4.04Å; K149-T184 WeakPolarHBondContact CE-OG1 3.39Å; K149-T184 PolarHBondContact NZ-OG1 3.36Å; G180-T184 WeakPolarHBondContact O-CB 3.4Å; G180-T184 PolarHBondContact O-N 2.8Å; G180-T184 PolarHBondContact O-OG1 2.88Å; Q182-T184 VanDerWaalsContact C-N 3.27Å; Q182-T184 PolarHBondContact O-N 3.2Å; T184-L187 WeakPolarHBondContact O-CB 3.47Å; T184-L187 PolarHBondContact O-N 2.86Å; T184-L188 HydrophobicContact CG2-CD1 4.2Å; T184-L188 VanDerWaalsContact O-CG 3.23Å; T184-L188 WeakPolarHBondContact O-CG 3.46Å; T184-L188 PolarHBondContact O-N 3.44Å
185G94.3Very high95.9Very high31 Ų3157 Ų5732%0.3229%0.289SS..Hα-helixtrans-60.2-47.9173.200000112.3P181 Q182 E183 L187 L188 E189P181-G185 PolarHBondContact O-N 3.29Å; Q182-G185 WeakPolarHBondContact O-CA 3.29Å; Q182-G185 PolarHBondContact O-N 2.86Å; Q182-G185 VanDerWaalsContact O-N 3.1Å; E183-G185 VanDerWaalsContact C-N 3.34Å; G185-L187 VanDerWaalsContact C-N 3.34Å; G185-L187 PolarHBondContact O-N 3.15Å; G185-L188 PolarHBondContact O-N 3.37Å; G185-L188 VanDerWaalsContact O-N 3.11Å; G185-E189 PolarHBondContact O-N 2.75Å
186Q94.4Very high95.9Very high83 Ų8360.4 Ų60.439%0.38830%0.302SS..Hα-helixtrans-60.6-41.2176.7-69.2176.4-12.100112.4L15 Q182 E183 L188 E189 H190L15-Q186 HydrophobicContact CD2-CB 4.46Å; Q182-Q186 PolarHBondContact O-N 3.02Å; E183-Q186 PolarHBondContact O-N 3.22Å; Q186-L188 VanDerWaalsContact C-N 3.32Å; Q186-L188 PolarHBondContact O-N 3.49Å; Q186-E189 WeakPolarHBondContact O-CB 3.46Å; Q186-E189 PolarHBondContact O-N 3.49Å; Q186-H190 PolarHBondContact O-CD2 3.36Å; Q186-H190 VanDerWaalsContact O-CD2 3.23Å
187L94.5Very high95.9Very high1 Ų162.3 Ų62.31%0.00531%0.309CS..Hα-helixtrans-57.8-46.6173-85.2167.9000111.4L15 L120 V147 K149 V177 E183 T184 G185 E189 H190 F192L15-L187 HydrophobicContact CD1-CD2 3.73Å; L15-L187 HydrophobicContact CD2-CD2 4.22Å; L15-L187 HydrophobicContact CD2-CG 4.41Å; L120-L187 HydrophobicContact CD1-CD1 4.3Å; L120-L187 HydrophobicContact CD2-CB 4.49Å; V147-L187 HydrophobicContact CG1-CD2 4.18Å; K149-L187 HydrophobicContact CB-CD1 4.17Å; K149-L187 HydrophobicContact CG-CD1 3.9Å; V177-L187 HydrophobicContact CB-CD1 3.99Å; V177-L187 HydrophobicContact CB-CD2 4.5Å; V177-L187 HydrophobicContact CG1-CD1 3.75Å; V177-L187 HydrophobicContact CG1-CD2 4.42Å; V177-L187 HydrophobicContact CG1-CG 4.18Å; V177-L187 HydrophobicContact CG2-CD2 4.25Å; E183-L187 PolarHBondContact O-N 2.96Å; T184-L187 WeakPolarHBondContact O-CB 3.47Å; T184-L187 PolarHBondContact O-N 2.86Å; G185-L187 VanDerWaalsContact C-N 3.34Å; G185-L187 PolarHBondContact O-N 3.15Å; L187-E189 PolarHBondContact O-N 3.21Å; L187-H190 WeakPolarHBondContact O-CB 3.49Å; L187-H190 PolarHBondContact O-N 3.05Å; L187-F192 HydrophobicContact CD2-CZ 4.13Å; L187-F192 WeakPolarHBondContact O-CE2 3.44Å
188L96.1Very high95.9Very high16 Ų1663.6 Ų63.68%0.08432%0.317CS..Hα-helixtrans-69.2-12.6-177.5-69.8171.2000113.8L120 I122 T184 G185 Q186 H190 I195 V207 A210L120-L188 HydrophobicContact CD2-CD2 4.17Å; I122-L188 HydrophobicContact CD1-CD2 4.32Å; T184-L188 HydrophobicContact CG2-CD1 4.2Å; T184-L188 VanDerWaalsContact O-CG 3.23Å; T184-L188 WeakPolarHBondContact O-CG 3.46Å; T184-L188 PolarHBondContact O-N 3.44Å; G185-L188 PolarHBondContact O-N 3.37Å; G185-L188 VanDerWaalsContact O-N 3.11Å; Q186-L188 VanDerWaalsContact C-N 3.32Å; Q186-L188 PolarHBondContact O-N 3.49Å; L188-H190 PolarHBondContact O-N 2.92Å; L188-I195 HydrophobicContact CD2-CD1 3.92Å; L188-V207 HydrophobicContact CD1-CG2 4.11Å; L188-V207 HydrophobicContact CD2-CG1 4.24Å; L188-A210 HydrophobicContact CB-CB 3.78Å; L188-A210 HydrophobicContact CD1-CB 4.47Å; L188-A210 HydrophobicContact CD2-CB 4.37Å; L188-A210 HydrophobicContact CG-CB 4.43Å
189E95.3Very high95.9Very high160 Ų16063 Ų6375%0.74833%0.325SS*.THydrogen-bonded Turntrans-72.3-17168.7-66.6172.7-171.500112.3G185 Q186 L187G185-E189 PolarHBondContact O-N 2.75Å; Q186-E189 WeakPolarHBondContact O-CB 3.46Å; Q186-E189 PolarHBondContact O-N 3.49Å; L187-E189 PolarHBondContact O-N 3.21Å
190H95.8Very high96.1Very high68 Ų6864.6 Ų64.632%0.31533%0.333SS..SBendtrans-94.4143.1176.6-61.9-78.7000111.7L19 Q186 L187 L188 F192L19-H190 HydrophobicContact CD1-CB 3.61Å; L19-H190 VanDerWaalsContact CD1-CD2 3.47Å; L19-H190 WeakPolarHBondContact CD1-CD2 3.39Å; Q186-H190 PolarHBondContact O-CD2 3.36Å; Q186-H190 VanDerWaalsContact O-CD2 3.23Å; L187-H190 WeakPolarHBondContact O-CB 3.49Å; L187-H190 PolarHBondContact O-N 3.05Å; L188-H190 PolarHBondContact O-N 2.92Å; H190-F192 HydrophobicContact CB-CE2 4.24Å; H190-F192 VanDerWaalsContact O-CD2 3.27Å; H190-F192 WeakPolarHBondContact O-CD2 3.47Å; H190-F192 PolarHBondContact O-N 3.39Å
191R95.5Very high96.3Very high186 Ų18669.1 Ų69.170%0.70236%0.36SS*.  trans-63.2133.2175.5-177.7176175.2-173.3-1.6110.7R23R23-R191 PolarHBondContact NH2-O 2.93Å
192F98.3Very high96.5Very high12 Ų1273.5 Ų73.55%0.05336%0.363CS..  trans-120150.6163.3-72.7-88.4000108.8L19 L118 L120 V147 L187 H190 Y194 I195L19-F192 HydrophobicContact CD2-CE1 4.16Å; L19-F192 HydrophobicContact CD2-CZ 3.92Å; L118-F192 HydrophobicContact CD2-CD1 4.08Å; L118-F192 HydrophobicContact CD2-CE1 3.9Å; L118-F192 HydrophobicContact CG-CD1 3.78Å; L118-F192 HydrophobicContact CG-CE1 3.86Å; L120-F192 HydrophobicContact CB-CB 4.34Å; L120-F192 HydrophobicContact CB-CD1 3.53Å; L120-F192 HydrophobicContact CB-CD2 3.97Å; L120-F192 HydrophobicContact CB-CE1 3.71Å; L120-F192 HydrophobicContact CB-CE2 4.13Å; L120-F192 HydrophobicContact CB-CG 3.67Å; L120-F192 HydrophobicContact CB-CZ 4.01Å; L120-F192 HydrophobicContact CD1-CE1 4.47Å; L120-F192 HydrophobicContact CD1-CZ 4.25Å; L120-F192 HydrophobicContact CD2-CD2 3.97Å; L120-F192 HydrophobicContact CD2-CE2 3.78Å; L120-F192 HydrophobicContact CD2-CZ 4.17Å; L120-F192 HydrophobicContact CG-CE2 4.41Å; L120-F192 HydrophobicContact CG-CZ 4.37Å; V147-F192 HydrophobicContact CB-CE1 4.14Å; V147-F192 HydrophobicContact CG2-CE1 3.95Å; V147-F192 HydrophobicContact CG2-CZ 4.45Å; L187-F192 HydrophobicContact CD2-CZ 4.13Å; L187-F192 WeakPolarHBondContact O-CE2 3.44Å; H190-F192 HydrophobicContact CB-CE2 4.24Å; H190-F192 VanDerWaalsContact O-CD2 3.27Å; H190-F192 WeakPolarHBondContact O-CD2 3.47Å; H190-F192 PolarHBondContact O-N 3.39Å; F192-Y194 VanDerWaalsContact C-N 3.29Å; F192-I195 HydrophobicContact CB-CD1 4.29Å; F192-I195 HydrophobicContact CB-CG1 3.73Å; F192-I195 HydrophobicContact CD2-CD1 4.49Å; F192-I195 HydrophobicContact CG-CG1 4.38Å
193D98.5Very high96.5Very high51 Ų5169.3 Ų69.327%0.27335%0.347SS..SBendtrans-82.3-18.1177.5-56.2-64.7000111R23 F116 G117 L118R23-D193 IonicContact NH1-OD2 3.9Å; F116-D193 HydrophobicContact CB-CB 4.04Å; F116-D193 WeakPolarHBondContact O-CB 3.36Å; G117-D193 WeakPolarHBondContact CA-OD2 3.32Å; L118-D193 PolarHBondContact N-OD2 2.94Å; L118-D193 PolarHBondContact O-N 3.28Å
194Y98.7Very high96.6Very high110 Ų11067.3 Ų67.343%0.43134%0.343SS..EExtended strand (participates in β ladder)trans-154.6141.3166.8-156.2-87.1000110.5F116 V119 L120 F192F116-Y194 HydrophobicContact CD1-CD2 4.26Å; F116-Y194 AromaticContact CD2-CD2 3.78Å; F116-Y194 HydrophobicContact CD2-CD2 3.78Å; F116-Y194 HydrophobicContact CD2-CE2 4.47Å; F116-Y194 HydrophobicContact CD2-CG 4.32Å; F116-Y194 HydrophobicContact CE1-CD2 4.15Å; F116-Y194 AromaticContact CE2-CD2 3.65Å; F116-Y194 HydrophobicContact CE2-CD2 3.65Å; F116-Y194 AromaticContact CE2-CE2 3.91Å; F116-Y194 HydrophobicContact CE2-CE2 3.91Å; F116-Y194 HydrophobicContact CG-CD2 4.09Å; F116-Y194 AromaticContact CZ-CD2 3.85Å; F116-Y194 HydrophobicContact CZ-CD2 3.85Å; F116-Y194 AromaticContact CZ-CE2 3.98Å; F116-Y194 HydrophobicContact CZ-CE2 3.98Å; V119-Y194 WeakPolarHBondContact CA-O 3.48Å; L120-Y194 PolarHBondContact N-O 2.89Å; F192-Y194 VanDerWaalsContact C-N 3.29Å
195I98.7Very high96.8Very high33 Ų3374 Ų7417%0.16937%0.371CS..EExtended strand (participates in β ladder)trans-120.8120.7172.7-56177.3000108.7L120 I122 L188 F192 V207 A211L120-I195 HydrophobicContact CB-CG1 4.28Å; L120-I195 HydrophobicContact CB-CG2 4.41Å; L120-I195 HydrophobicContact CD2-CG2 4.27Å; L120-I195 HydrophobicContact CG-CG2 4.44Å; L120-I195 WeakPolarHBondContact O-CA 3.42Å; I122-I195 HydrophobicContact CD1-CG2 4.37Å; L188-I195 HydrophobicContact CD2-CD1 3.92Å; F192-I195 HydrophobicContact CB-CD1 4.29Å; F192-I195 HydrophobicContact CB-CG1 3.73Å; F192-I195 HydrophobicContact CD2-CD1 4.49Å; F192-I195 HydrophobicContact CG-CG1 4.38Å; I195-V207 HydrophobicContact CG2-CG1 3.67Å; I195-A211 HydrophobicContact CD1-CB 3.99Å
196F98.8Very high96.8Very high83 Ų8377.4 Ų77.436%0.36438%0.38SS..EExtended strand (participates in β ladder)trans-104.5116.7172.3-168.1-80.6000109L120 I121 I122 P135L120-F196 PolarHBondContact O-N 3.18Å; I121-F196 CarbonylContact C-O 3.6Å; I121-F196 WeakPolarHBondContact CA-O 3.36Å; I121-F196 HydrophobicContact CG1-CB 4.3Å; I122-F196 PolarHBondContact N-O 3.43Å; P135-F196 HydrophobicContact CB-CD1 3.73Å; P135-F196 HydrophobicContact CB-CD2 4.32Å; P135-F196 HydrophobicContact CB-CE1 3.75Å; P135-F196 HydrophobicContact CB-CE2 4.35Å; P135-F196 HydrophobicContact CB-CG 4.03Å; P135-F196 HydrophobicContact CB-CZ 4.08Å; P135-F196 HydrophobicContact CG-CD1 4.05Å; P135-F196 HydrophobicContact CG-CE1 3.93Å
197F98.6Very high96.9Very high52 Ų5273.9 Ų73.923%0.22836%0.364CS..EExtended strand (participates in β ladder)trans-123.5129.7-178.8167.7-98.1000110.5I122 G199 V203 G204 V207I122-F197 HydrophobicContact CB-CD2 3.91Å; I122-F197 HydrophobicContact CD1-CD2 4.41Å; I122-F197 HydrophobicContact CG2-CD2 3.77Å; I122-F197 HydrophobicContact CG2-CE2 4.16Å; F197-G199 VanDerWaalsContact CZ-CA 3.43Å; F197-V203 HydrophobicContact CE2-CB 4.25Å; F197-V203 HydrophobicContact CE2-CG1 3.57Å; F197-V203 HydrophobicContact CZ-CB 3.73Å; F197-V203 HydrophobicContact CZ-CG1 3.57Å; F197-G204 VanDerWaalsContact CE1-CA 3.45Å; F197-V207 HydrophobicContact CB-CG1 4.12Å; F197-V207 HydrophobicContact CB-CG2 4.45Å; F197-V207 HydrophobicContact CD2-CG2 3.88Å; F197-V207 HydrophobicContact CE2-CG2 4.31Å; F197-V207 HydrophobicContact CG-CG2 4.05Å
198T98.5Very high97Very high43 Ų4381.1 Ų81.126%0.26440%0.4SS..  trans-117.8128.5164.1-530000109.3I122 P124 L131I122-T198 PolarHBondContact O-N 3.14Å; I122-T198 VanDerWaalsContact O-N 3.08Å; P124-T198 WeakPolarHBondContact CD-O 3.33Å; P124-T198 HydrophobicContact CG-CG2 3.94Å; L131-T198 HydrophobicContact CD1-CG2 4.17Å; L131-T198 HydrophobicContact CD2-CG2 4.3Å
199G96.6Very high97Very high44 Ų4486.3 Ų86.345%0.45443%0.433SS..SBendtrans164.7-154.417800000112.5F197F197-G199 VanDerWaalsContact CZ-CA 3.43Å
200S96.3Very high96.7Very high52 Ų5281 Ų8136%0.36442%0.416SS..  trans-72.6149.6-175.674.70000113R202 V203 G204S200-R202 PolarHBondContact O-N 2.8Å; S200-V203 PolarHBondContact O-N 3.37Å; S200-V203 VanDerWaalsContact O-N 3.15Å; S200-V203 WeakPolarHBondContact OG-CG2 3.44Å; S200-V203 PolarHBondContact OG-N 2.86Å; S200-G204 PolarHBondContact O-N 3.43Å
201P97.5Very high95.9Very high109 Ų10982.7 Ų82.771%0.70844%0.442SS*.Hα-helixtrans-56.2-34.4174.4-27.735.1000113.9G204 K205P201-G204 PolarHBondContact O-N 2.86Å; P201-K205 WeakPolarHBondContact O-CG 3.32Å; P201-K205 PolarHBondContact O-N 3.46Å; P201-K205 VanDerWaalsContact O-N 3.07Å
202R97.1Very high95.9Very high197 Ų19777.5 Ų77.574%0.74343%0.429SS*.Hα-helixtrans-61.7-49.2177.4-178.8179.864.2139.90.1111.3S200 K205S200-R202 PolarHBondContact O-N 2.8Å; R202-K205 PolarHBondContact O-N 2.78Å
203V94.8Very high95.8Very high48 Ų4880.9 Ų80.929%0.29145%0.448SS..Hα-helixtrans-70.6-35.8178.1177.60000110.6F197 S200 K205 I206 V207F197-V203 HydrophobicContact CE2-CB 4.25Å; F197-V203 HydrophobicContact CE2-CG1 3.57Å; F197-V203 HydrophobicContact CZ-CB 3.73Å; F197-V203 HydrophobicContact CZ-CG1 3.57Å; S200-V203 PolarHBondContact O-N 3.37Å; S200-V203 VanDerWaalsContact O-N 3.15Å; S200-V203 WeakPolarHBondContact OG-CG2 3.44Å; S200-V203 PolarHBondContact OG-N 2.86Å; V203-K205 VanDerWaalsContact C-N 3.28Å; V203-K205 PolarHBondContact O-N 2.97Å; V203-I206 WeakPolarHBondContact O-CA 3.41Å; V203-I206 WeakPolarHBondContact O-CB 3.43Å; V203-I206 PolarHBondContact O-N 3.29Å; V203-V207 HydrophobicContact CG1-CG2 4.29Å; V203-V207 WeakPolarHBondContact O-CG2 3.11Å; V203-V207 PolarHBondContact O-N 3.42Å
204G96.8Very high95.7Very high20 Ų2082.6 Ų82.621%0.20646%0.458CS..Hα-helixtrans-57.3-38.4175.100000113.4F197 S200 P201 I206 V207 M208F197-G204 VanDerWaalsContact CE1-CA 3.45Å; S200-G204 PolarHBondContact O-N 3.43Å; P201-G204 PolarHBondContact O-N 2.86Å; G204-I206 VanDerWaalsContact C-N 3.35Å; G204-I206 PolarHBondContact O-N 2.78Å; G204-V207 PolarHBondContact O-N 3.02Å; G204-M208 WeakPolarHBondContact O-CB 3.32Å; G204-M208 PolarHBondContact O-N 3.05Å
205K97.4Very high95.5Very high155 Ų15581 Ų8167%0.67446%0.46SS*.Hα-helixtrans-63.4-38.4173.2-71.3175.3-178.3-176.20112.8P201 R202 V203 T209P201-K205 WeakPolarHBondContact O-CG 3.32Å; P201-K205 PolarHBondContact O-N 3.46Å; P201-K205 VanDerWaalsContact O-N 3.07Å; R202-K205 PolarHBondContact O-N 2.78Å; V203-K205 VanDerWaalsContact C-N 3.28Å; V203-K205 PolarHBondContact O-N 2.97Å; K205-T209 WeakPolarHBondContact O-CB 3.21Å; K205-T209 PolarHBondContact O-N 2.96Å; K205-T209 PolarHBondContact O-OG1 2.8Å
206I95.2Very high95.3Very high102 Ų10284 Ų8452%0.52348%0.478SS..Hα-helixtrans-65.4-49.1176.8-61.7169.7000109.8V203 G204 M208 T209 A210V203-I206 WeakPolarHBondContact O-CA 3.41Å; V203-I206 WeakPolarHBondContact O-CB 3.43Å; V203-I206 PolarHBondContact O-N 3.29Å; G204-I206 VanDerWaalsContact C-N 3.35Å; G204-I206 PolarHBondContact O-N 2.78Å; I206-M208 VanDerWaalsContact C-N 3.33Å; I206-M208 PolarHBondContact O-N 3.05Å; I206-T209 PolarHBondContact O-N 3.15Å; I206-T209 VanDerWaalsContact O-N 3.14Å; I206-A210 PolarHBondContact O-N 3Å
207V95.8Very high95.1Very high9 Ų984.1 Ų84.16%0.05549%0.485CS..Hα-helixtrans-56.8-47.8176.4175.20000110.6I122 L188 I195 F197 V203 G204 T209 A210 A211I122-V207 HydrophobicContact CD1-CG2 4.18Å; L188-V207 HydrophobicContact CD1-CG2 4.11Å; L188-V207 HydrophobicContact CD2-CG1 4.24Å; I195-V207 HydrophobicContact CG2-CG1 3.67Å; F197-V207 HydrophobicContact CB-CG1 4.12Å; F197-V207 HydrophobicContact CB-CG2 4.45Å; F197-V207 HydrophobicContact CD2-CG2 3.88Å; F197-V207 HydrophobicContact CE2-CG2 4.31Å; F197-V207 HydrophobicContact CG-CG2 4.05Å; V203-V207 HydrophobicContact CG1-CG2 4.29Å; V203-V207 WeakPolarHBondContact O-CG2 3.11Å; V203-V207 PolarHBondContact O-N 3.42Å; G204-V207 PolarHBondContact O-N 3.02Å; V207-T209 VanDerWaalsContact C-N 3.27Å; V207-T209 PolarHBondContact O-N 2.8Å; V207-A210 PolarHBondContact O-N 3.23Å; V207-A210 VanDerWaalsContact O-N 3.16Å; V207-A211 WeakPolarHBondContact O-CB 3.5Å; V207-A211 PolarHBondContact O-N 3.21Å
208M96.4Very high94.8Very high154 Ų15486.4 Ų86.476%0.75950%0.504SS*.Hα-helixtrans-63.8-30.8179.3-174.7179178.700113.2G204 I206 A210G204-M208 WeakPolarHBondContact O-CB 3.32Å; G204-M208 PolarHBondContact O-N 3.05Å; I206-M208 VanDerWaalsContact C-N 3.33Å; I206-M208 PolarHBondContact O-N 3.05Å; M208-A210 VanDerWaalsContact C-N 3.31Å
209T95.8Very high94.5Very high125 Ų12589.7 Ų89.777%0.76752%0.522SS*.Hα-helixtrans-72.9-28.8178.2-57.30000111.6K205 I206 V207K205-T209 WeakPolarHBondContact O-CB 3.21Å; K205-T209 PolarHBondContact O-N 2.96Å; K205-T209 PolarHBondContact O-OG1 2.8Å; I206-T209 PolarHBondContact O-N 3.15Å; I206-T209 VanDerWaalsContact O-N 3.14Å; V207-T209 VanDerWaalsContact C-N 3.27Å; V207-T209 PolarHBondContact O-N 2.8Å
210A89.8Confident94.4Very high47 Ų4793.5 Ų93.539%0.38853%0.528SS..Hα-helixtrans-90.8-11.8178.500000114L188 I206 V207 M208L188-A210 HydrophobicContact CB-CB 3.78Å; L188-A210 HydrophobicContact CD1-CB 4.47Å; L188-A210 HydrophobicContact CD2-CB 4.37Å; L188-A210 HydrophobicContact CG-CB 4.43Å; I206-A210 PolarHBondContact O-N 3Å; V207-A210 PolarHBondContact O-N 3.23Å; V207-A210 VanDerWaalsContact O-N 3.16Å; M208-A210 VanDerWaalsContact C-N 3.31Å
211A79.4Confident94.2Very high104 Ų10497.3 Ų97.386%0.8654%0.543SS*.  trans-78.80-175.400000113.9I195 V207I195-A211 HydrophobicContact CD1-CB 3.99Å; V207-A211 WeakPolarHBondContact O-CB 3.5Å; V207-A211 PolarHBondContact O-N 3.21Å

Retrieved 211 of 211 residues in 435.9 ms (Link to these results)

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