A0A3B3UUY7_9TELE Loading...

creatine kinase

AlphaFold DB , UniProt , Accession A0A3B3UUY7, Species 9TELE (Poecilia latipinna, sailfin molly), Gene CKB, Length 381 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
1M45.6Very low74.8Confident158 Ų15884.8 Ų84.878%0.77843%0.433SS*.  0123.10-75.6-133.9-81.100108.3F3M1-F3 HydrophobicContact CB-CD2 4.14Å; M1-F3 HydrophobicContact CB-CE2 4Å; M1-F3 HydrophobicContact CE-CE2 4.45Å; M1-F3 HydrophobicContact CG-CE2 4.46Å; M1-F3 PolarHBondContact O-N 3Å; M1-F3 HydrophobicContact SD-CE2 3.76Å
2P56Low76.4Confident12 Ų1285.8 Ų85.88%0.07844%0.436CS..  trans-70.2-2.2-161.121.5-28.6000116.1G4 N5 T6P2-G4 PolarHBondContact O-N 2.81Å; P2-N5 PolarHBondContact O-N 2.76Å; P2-T6 PolarHBondContact O-OG1 2.78Å
3F67.1Low77.9Confident102 Ų10288.6 Ų88.645%0.44745%0.453SS..THydrogen-bonded Turntrans-75.9121.2-164.7-43.2-47.6000112.8M1 R209M1-F3 HydrophobicContact CB-CD2 4.14Å; M1-F3 HydrophobicContact CB-CE2 4Å; M1-F3 HydrophobicContact CE-CE2 4.45Å; M1-F3 HydrophobicContact CG-CE2 4.46Å; M1-F3 PolarHBondContact O-N 3Å; M1-F3 HydrophobicContact SD-CE2 3.76Å; F3-R209 VanDerWaalsContact CD1-CD 3.42Å; F3-R209 HydrophobicContact CD1-CG 3.9Å; F3-R209 HydrophobicContact CE1-CG 3.09Å; F3-R209 VanDerWaalsContact CE1-NE 3.31Å; F3-R209 HydrophobicContact CE2-CG 3.84Å; F3-R209 HydrophobicContact CZ-CB 4.44Å; F3-R209 HydrophobicContact CZ-CG 3.05Å
4G61.2Low79.3Confident64 Ų6491.1 Ų91.166%0.6646%0.456SS*.THydrogen-bonded Turntrans97.2-31.2179.500000114P2P2-G4 PolarHBondContact O-N 2.81Å
5N74.3Confident80.6Confident61 Ų6188.3 Ų88.333%0.32645%0.448SS..THydrogen-bonded Turntrans-75.4-28.2-175.9-158.725.4000113.1P2 H7 N8 K11P2-N5 PolarHBondContact O-N 2.76Å; N5-H7 PolarHBondContact O-N 3.47Å; N5-N8 WeakPolarHBondContact O-CB 3.42Å; N5-N8 PolarHBondContact O-N 3.31Å; N5-N8 WeakPolarHBondContact OD1-CB 3.41Å; N5-N8 PolarHBondContact OD1-ND2 3.03Å; N5-K11 WeakPolarHBondContact ND2-CE 3.45Å; N5-K11 WeakPolarHBondContact O-CE 3.37Å; N5-K11 PolarHBondContact O-NZ 3.28Å; N5-K11 WeakPolarHBondContact OD1-CE 3.45Å
6T77.8Confident81.7Confident22 Ų2283.6 Ų83.614%0.13543%0.426CS..THydrogen-bonded Turntrans-48.8-43.3176.6-52.40000112.2P2 D55P2-T6 PolarHBondContact O-OG1 2.78Å; T6-D55 WeakPolarHBondContact CA-OD1 2.91Å; T6-D55 VanDerWaalsContact CB-OD1 3.31Å; T6-D55 WeakPolarHBondContact CB-OD1 3.38Å; T6-D55 WeakPolarHBondContact CG2-OD1 3.5Å; T6-D55 WeakPolarHBondContact CG2-OD2 3.36Å; T6-D55 PolarHBondContact OG1-OD1 3.32Å
7H80.2Confident82.6Confident116 Ų11685.8 Ų85.854%0.53744%0.435SS..THydrogen-bonded Turntrans-108.620.5-179.3-52.9-55.4000113.4N5 K9N5-H7 PolarHBondContact O-N 3.47Å; H7-K9 VanDerWaalsContact C-N 3.34Å; H7-K9 PolarHBondContact O-N 3.29Å
8N87.4Confident83.5Confident64 Ų6488.1 Ų88.134%0.34244%0.444SS..  trans-73.389.4177.7-178.811.7000110.5N5 F10 K11N5-N8 WeakPolarHBondContact O-CB 3.42Å; N5-N8 PolarHBondContact O-N 3.31Å; N5-N8 WeakPolarHBondContact OD1-CB 3.41Å; N5-N8 PolarHBondContact OD1-ND2 3.03Å; N8-F10 PolarHBondContact O-N 3.05Å; N8-F10 WeakPolarHBondContact OD1-CB 2.91Å; N8-F10 PolarHBondContact OD1-N 3.31Å; N8-F10 VanDerWaalsContact OD1-N 3.17Å; N8-K11 HydrophobicContact CB-CG 4.39Å; N8-K11 WeakPolarHBondContact O-CG 3.46Å; N8-K11 PolarHBondContact O-N 2.69Å; N8-K11 VanDerWaalsContact O-N 3.15Å
9K87.1Confident84.3Confident183 Ų18386.5 Ų86.580%0.79644%0.435SS*.G310 helixtrans-59.6-17.2179.8-61.9-171.5178.5-173.10113.7H7 K11 M12H7-K9 VanDerWaalsContact C-N 3.34Å; H7-K9 PolarHBondContact O-N 3.29Å; K9-K11 PolarHBondContact O-N 3.04Å; K9-M12 PolarHBondContact O-N 3.03Å
10F93.1Very high85Confident142 Ų14285.2 Ų85.262%0.62343%0.426SS*.G310 helixtrans-69.8-17.5177.8-64.7-17000113.9N8 M12 N13 Y14N8-F10 PolarHBondContact O-N 3.05Å; N8-F10 WeakPolarHBondContact OD1-CB 2.91Å; N8-F10 PolarHBondContact OD1-N 3.31Å; N8-F10 VanDerWaalsContact OD1-N 3.17Å; F10-M12 PolarHBondContact O-N 3.46Å; F10-M12 VanDerWaalsContact O-N 3.15Å; F10-N13 VanDerWaalsContact O-CB 3.25Å; F10-N13 WeakPolarHBondContact O-CB 3.44Å; F10-N13 PolarHBondContact O-N 2.83Å; F10-Y14 VanDerWaalsContact O-CD2 3.31Å; F10-Y14 WeakPolarHBondContact O-CD2 2.98Å
11K93.4Very high85.6Confident9 Ų981.9 Ų81.94%0.03941%0.411CS..G310 helixtrans-54.3-33.4173.5-66.5176.3-178.9-175.20112.9N5 N8 K9 N13 Y14 R43 D54N5-K11 WeakPolarHBondContact ND2-CE 3.45Å; N5-K11 WeakPolarHBondContact O-CE 3.37Å; N5-K11 PolarHBondContact O-NZ 3.28Å; N5-K11 WeakPolarHBondContact OD1-CE 3.45Å; N8-K11 HydrophobicContact CB-CG 4.39Å; N8-K11 WeakPolarHBondContact O-CG 3.46Å; N8-K11 PolarHBondContact O-N 2.69Å; N8-K11 VanDerWaalsContact O-N 3.15Å; K9-K11 PolarHBondContact O-N 3.04Å; K11-N13 PolarHBondContact O-N 3.26Å; K11-Y14 PolarHBondContact O-N 2.81Å; K11-R43 PolarHBondContact O-NH2 2.94Å; K11-D54 WeakPolarHBondContact CD-OD2 3.29Å; K11-D54 WeakPolarHBondContact CE-OD2 3.43Å; K11-D54 IonicContact NZ-OD2 3.94Å; K11-D54 PolarHBondContact NZ-OD2 2.78Å
12M93.3Very high88.1Confident96 Ų9680.2 Ų80.247%0.47341%0.405SS..G310 helixtrans-77.3-7.8179.4-62-57.2142.100113.5K9 F10 R43 D44K9-M12 PolarHBondContact O-N 3.03Å; F10-M12 PolarHBondContact O-N 3.46Å; F10-M12 VanDerWaalsContact O-N 3.15Å; M12-R43 HydrophobicContact CE-CB 4.48Å; M12-R43 HydrophobicContact CE-CG 4.35Å; M12-R43 WeakPolarHBondContact CE-O 3.32Å; M12-D44 HydrophobicContact SD-CB 4.44Å
13N96.9Very high90.1Very high123 Ų12380.8 Ų80.866%0.65841%0.407SS*.G310 helixtrans-79.2-10.8169-60.4-25.9000112.2F10 K11F10-N13 VanDerWaalsContact O-CB 3.25Å; F10-N13 WeakPolarHBondContact O-CB 3.44Å; F10-N13 PolarHBondContact O-N 2.83Å; K11-N13 PolarHBondContact O-N 3.26Å
14Y97.4Very high91.5Very high124 Ų12480 Ų8049%0.48641%0.414SS..SBendtrans-109.4146.7179.2-61.7-86.2000110.4F10 K11 R43F10-Y14 VanDerWaalsContact O-CD2 3.31Å; F10-Y14 WeakPolarHBondContact O-CD2 2.98Å; K11-Y14 PolarHBondContact O-N 2.81Å; Y14-R43 PolarHBondContact O-NH1 3.37Å
15S98.1Very high93.1Very high48 Ų4884.7 Ų84.734%0.33642%0.419SS..  trans-61.7161175.860.30000111.8E17 Q18 E19 R43S15-E17 WeakPolarHBondContact CB-OE2 3.45Å; S15-E17 PolarHBondContact O-N 3.35Å; S15-Q18 PolarHBondContact O-N 2.8Å; S15-Q18 VanDerWaalsContact OG-CD 3.25Å; S15-Q18 WeakPolarHBondContact OG-CG 3.26Å; S15-Q18 PolarHBondContact OG-N 3.48Å; S15-Q18 PolarHBondContact OG-OE1 3.28Å; S15-E19 PolarHBondContact O-N 3.06Å; S15-R43 VanDerWaalsContact C-NH1 3.28Å; S15-R43 PolarHBondContact O-NH1 2.66Å
16A97.8Very high94.2Very high13 Ų1384 Ų8411%0.10741%0.413CS..Hα-helixtrans-60.2-38.6177.800000111.1Q18 E19 F20 L36 Y39 A40A16-Q18 VanDerWaalsContact C-N 3.29Å; A16-Q18 PolarHBondContact O-N 2.87Å; A16-E19 PolarHBondContact O-N 2.62Å; A16-F20 WeakPolarHBondContact O-CB 3.49Å; A16-F20 PolarHBondContact O-N 2.95Å; A16-L36 HydrophobicContact CB-CD1 4.27Å; A16-Y39 HydrophobicContact CB-CD1 4.42Å; A16-A40 HydrophobicContact CB-CB 3.66Å
17E98.2Very high95.1Very high121 Ų12187.2 Ų87.257%0.56543%0.43SS*.Hα-helixtrans-62.4-34.6178-64.173.8-166.300112.9S15 E19 L36S15-E17 WeakPolarHBondContact CB-OE2 3.45Å; S15-E17 PolarHBondContact O-N 3.35Å; E17-E19 VanDerWaalsContact C-N 3.34Å; E17-L36 HydrophobicContact CG-CD1 4.19Å; E17-L36 HydrophobicContact CG-CD2 3.81Å
18Q98.1Very high95.9Very high128 Ų12881.7 Ų81.760%0.59841%0.405SS*.Hα-helixtrans-75.4-25.2-179.5-76.3170.2-53.900113.1S15 A16S15-Q18 PolarHBondContact O-N 2.8Å; S15-Q18 VanDerWaalsContact OG-CD 3.25Å; S15-Q18 WeakPolarHBondContact OG-CG 3.26Å; S15-Q18 PolarHBondContact OG-N 3.48Å; S15-Q18 PolarHBondContact OG-OE1 3.28Å; A16-Q18 VanDerWaalsContact C-N 3.29Å; A16-Q18 PolarHBondContact O-N 2.87Å
19E98.1Very high96.4Very high58 Ų5879.3 Ų79.327%0.27139%0.391SS..Hα-helixtrans-106.3-10.5-177.7-68.2-87.2-171.500111.9S15 A16 E17 Y39 R43S15-E19 PolarHBondContact O-N 3.06Å; A16-E19 PolarHBondContact O-N 2.62Å; E17-E19 VanDerWaalsContact C-N 3.34Å; E19-Y39 HydrophobicContact CB-CE1 4.13Å; E19-R43 VanDerWaalsContact CB-NH2 3.29Å; E19-R43 VanDerWaalsContact CG-NH2 3.26Å
20F98.4Very high96.9Very high59 Ų5970.6 Ų70.626%0.25935%0.353SS..SBendtrans-61.2129.9175-170.1-100.8000110.6A16 L34 T35 L36 Y39A16-F20 WeakPolarHBondContact O-CB 3.49Å; A16-F20 PolarHBondContact O-N 2.95Å; F20-L34 HydrophobicContact CE2-CD2 4.05Å; F20-L34 HydrophobicContact CE2-CG 3.98Å; F20-L34 HydrophobicContact CZ-CD2 4.43Å; F20-L34 HydrophobicContact CZ-CG 4.35Å; F20-T35 WeakPolarHBondContact CE2-O 3.25Å; F20-L36 HydrophobicContact CB-CD1 3.83Å; F20-L36 HydrophobicContact CD2-CB 4.28Å; F20-L36 HydrophobicContact CD2-CD1 3.92Å; F20-L36 HydrophobicContact CE2-CB 4.31Å; F20-L36 HydrophobicContact CG-CD1 3.89Å; F20-Y39 HydrophobicContact CB-CD1 4.36Å; F20-Y39 AromaticContact CD2-CD1 3.93Å; F20-Y39 HydrophobicContact CD2-CD1 3.93Å; F20-Y39 HydrophobicContact CD2-CD2 4.28Å; F20-Y39 AromaticContact CD2-CG 3.65Å; F20-Y39 HydrophobicContact CD2-CG 3.65Å; F20-Y39 HydrophobicContact CE2-CG 4.24Å
21P98.1Very high97.2Very high17 Ų1764.8 Ų64.811%0.1133%0.331CS..  trans-69143.1-176.928-35.4000112.1L23 L34 I57 V61P21-L23 HydrophobicContact CB-CD2 4.06Å; P21-L23 HydrophobicContact CB-CG 4.07Å; P21-L23 HydrophobicContact CG-CD1 3.93Å; P21-L23 HydrophobicContact CG-CD2 4.25Å; P21-L23 HydrophobicContact CG-CG 3.97Å; P21-L23 PolarHBondContact O-N 3.37Å; P21-L34 HydrophobicContact CG-CD2 3.89Å; P21-I57 HydrophobicContact CG-CD1 4.15Å; P21-V61 HydrophobicContact CB-CG1 4.15Å; P21-V61 HydrophobicContact CB-CG2 3.72Å; P21-V61 HydrophobicContact CG-CG2 4.13Å
22D98.3Very high97.4Very high122 Ų12269.5 Ų69.565%0.65235%0.352SS*.  trans-75.6108.9165.2-177.4-1.5000109.5S24 H26D22-S24 WeakPolarHBondContact OD1-CB 3.5Å; D22-S24 PolarHBondContact OD1-N 3.42Å; D22-S24 PolarHBondContact OD1-OG 3.43Å; D22-H26 PolarHBondContact O-CE1 3.17Å; D22-H26 VanDerWaalsContact O-CE1 3.3Å
23L98Very high97.6Very high25 Ų2566 Ų6613%0.13134%0.336CS..  trans-111.516.1-178.6-59.8176.7000112.4P21 Q25 H26 M30 A31 L34 V61P21-L23 HydrophobicContact CB-CD2 4.06Å; P21-L23 HydrophobicContact CB-CG 4.07Å; P21-L23 HydrophobicContact CG-CD1 3.93Å; P21-L23 HydrophobicContact CG-CD2 4.25Å; P21-L23 HydrophobicContact CG-CG 3.97Å; P21-L23 PolarHBondContact O-N 3.37Å; L23-Q25 PolarHBondContact O-N 2.89Å; L23-Q25 VanDerWaalsContact O-N 3.12Å; L23-H26 WeakPolarHBondContact CA-ND1 3.49Å; L23-H26 HydrophobicContact CB-CB 4.29Å; L23-H26 HydrophobicContact CD2-CB 4.44Å; L23-H26 WeakPolarHBondContact O-CB 3.38Å; L23-H26 PolarHBondContact O-N 3.39Å; L23-H26 VanDerWaalsContact O-N 3.12Å; L23-M30 HydrophobicContact CD1-CE 4.48Å; L23-M30 HydrophobicContact CD1-SD 4.24Å; L23-M30 HydrophobicContact CD2-CE 4.27Å; L23-A31 HydrophobicContact CB-CB 4.26Å; L23-A31 HydrophobicContact CD1-CB 4.11Å; L23-A31 HydrophobicContact CD2-CB 4.39Å; L23-A31 HydrophobicContact CG-CB 4.5Å; L23-L34 HydrophobicContact CD1-CB 4.43Å; L23-L34 HydrophobicContact CD1-CD2 4.04Å; L23-V61 HydrophobicContact CD2-CG2 4.25Å
24S95.9Very high97.7Very high84 Ų8460.8 Ų60.859%0.58731%0.308SS*.THydrogen-bonded Turntrans-63.6-20.2-170.360.10000114.9D22D22-S24 WeakPolarHBondContact OD1-CB 3.5Å; D22-S24 PolarHBondContact OD1-N 3.42Å; D22-S24 PolarHBondContact OD1-OG 3.43Å
25Q95.3Very high97.8Very high164 Ų16458.1 Ų58.177%0.76631%0.305SS*.THydrogen-bonded Turntrans-117.220.1179.2-61-59-59.500112.3L23L23-Q25 PolarHBondContact O-N 2.89Å; L23-Q25 VanDerWaalsContact O-N 3.12Å
26H97.6Very high97.8Very high45 Ų4558.7 Ų58.721%0.20830%0.304CS..  trans-100143.3-173.2-6755.2000112.2D22 L23 A31 G60 V61 P64D22-H26 PolarHBondContact O-CE1 3.17Å; D22-H26 VanDerWaalsContact O-CE1 3.3Å; L23-H26 WeakPolarHBondContact CA-ND1 3.49Å; L23-H26 HydrophobicContact CB-CB 4.29Å; L23-H26 HydrophobicContact CD2-CB 4.44Å; L23-H26 WeakPolarHBondContact O-CB 3.38Å; L23-H26 PolarHBondContact O-N 3.39Å; L23-H26 VanDerWaalsContact O-N 3.12Å; H26-A31 HydrophobicContact CB-CB 3.65Å; H26-G60 PolarHBondContact CD2-O 3.43Å; H26-V61 PolarHBondContact NE2-O 3.06Å; H26-P64 CarbonylContact C-O 3.52Å; H26-P64 WeakPolarHBondContact CA-O 3.47Å; H26-P64 HydrophobicContact CB-CB 4.45Å; H26-P64 VanDerWaalsContact CD2-CA 3.49Å; H26-P64 WeakPolarHBondContact CD2-CA 3.29Å
27N96.2Very high97.9Very high91 Ų9163.7 Ų63.749%0.48733%0.329SS..  trans-140.271.7179.5-174.533000109.3P64 M70N27-P64 CarbonylContact C-O 3.58Å; N27-P64 PolarHBondContact N-O 2.94Å; N27-M70 VanDerWaalsContact OD1-CE 3.31Å; N27-M70 WeakPolarHBondContact OD1-CE 3.17Å
28N97.3Very high97.9Very high0 Ų059.3 Ų59.30%031%0.309CS..BIsolated β-bridgetrans-138.9162.9170.461.661000108.9M30 A31 K32 G60 N63 T71N28-M30 PolarHBondContact O-N 3.09Å; N28-M30 PolarHBondContact OD1-N 3.43Å; N28-A31 PolarHBondContact O-N 3.32Å; N28-A31 WeakPolarHBondContact OD1-CB 3.25Å; N28-A31 PolarHBondContact OD1-N 3.44Å; N28-K32 PolarHBondContact O-N 2.93Å; N28-G60 PolarHBondContact ND2-O 3.39Å; N28-N63 PolarHBondContact ND2-O 3.48Å; N28-N63 VanDerWaalsContact ND2-O 3.15Å; N28-T71 WeakPolarHBondContact CA-O 3.48Å; N28-T71 WeakPolarHBondContact CB-O 3.24Å; N28-T71 WeakPolarHBondContact CB-OG1 3.36Å
29H97.9Very high97.9Very high13 Ų1353.2 Ų53.26%0.0628%0.28CS..Hα-helixtrans-60.9-41.8-174.5-69.8-81.9000112.8A31 K32 V33 M70 T71 V72 V92 D95 R96H29-A31 PolarHBondContact O-N 3.15Å; H29-K32 PolarHBondContact O-N 2.83Å; H29-V33 WeakPolarHBondContact O-CG2 3.37Å; H29-V33 PolarHBondContact O-N 3.31Å; H29-M70 WeakPolarHBondContact NE2-CG 3.34Å; H29-T71 PolarHBondContact CD2-O 3.07Å; H29-T71 VanDerWaalsContact CD2-O 3.23Å; H29-T71 PolarHBondContact N-O 3.37Å; H29-V72 CarbonylContact C-O 3.47Å; H29-V72 WeakPolarHBondContact CB-O 3.3Å; H29-V72 PolarHBondContact N-O 2.86Å; H29-V92 HydrophobicContact CB-CG1 4.02Å; H29-D95 IonicContact CE1-OD2 3.12Å; H29-D95 PolarHBondContact CE1-OD2 3.49Å; H29-D95 VanDerWaalsContact CE1-OD2 3.3Å; H29-D95 IonicContact CG-OD2 3.18Å; H29-D95 IonicContact ND1-OD2 3.58Å; H29-D95 PolarHBondContact ND1-OD2 3.1Å; H29-R96 WeakPolarHBondContact NE2-CD 3.44Å
30M98.6Very high97.9Very high0 Ų052.7 Ų52.70%029%0.285CS..Hα-helixtrans-56.8-48176.8179.7-76.9-67.400111.5L23 N28 K32 V33 L34 I57 V61 V72 G73 C74 L88L23-M30 HydrophobicContact CD1-CE 4.48Å; L23-M30 HydrophobicContact CD1-SD 4.24Å; L23-M30 HydrophobicContact CD2-CE 4.27Å; N28-M30 PolarHBondContact O-N 3.09Å; N28-M30 PolarHBondContact OD1-N 3.43Å; M30-K32 PolarHBondContact O-N 3.33Å; M30-V33 PolarHBondContact O-N 3.22Å; M30-L34 PolarHBondContact O-N 3.49Å; M30-L34 HydrophobicContact SD-CB 3.94Å; M30-L34 HydrophobicContact SD-CD2 3.89Å; M30-I57 HydrophobicContact CE-CB 3.97Å; M30-I57 HydrophobicContact CG-CB 4.09Å; M30-I57 HydrophobicContact CG-CG2 3.75Å; M30-I57 HydrophobicContact SD-CB 3.91Å; M30-I57 HydrophobicContact SD-CG2 3.92Å; M30-V61 HydrophobicContact CE-CG2 4.22Å; M30-V72 PolarHBondContact N-O 3.1Å; M30-G73 WeakPolarHBondContact CB-O 3.46Å; M30-C74 HydrophobicContact CB-CB 4.18Å; M30-C74 HydrophobicContact CG-CB 4.11Å; M30-L88 HydrophobicContact CG-CD1 4.47Å
31A98.3Very high97.9Very high20 Ų2055.7 Ų55.717%0.16530%0.3CS..Hα-helixtrans-67.2-22.7-17800000114.1L23 H26 N28 H29 V33L23-A31 HydrophobicContact CB-CB 4.26Å; L23-A31 HydrophobicContact CD1-CB 4.11Å; L23-A31 HydrophobicContact CD2-CB 4.39Å; L23-A31 HydrophobicContact CG-CB 4.5Å; H26-A31 HydrophobicContact CB-CB 3.65Å; N28-A31 PolarHBondContact O-N 3.32Å; N28-A31 WeakPolarHBondContact OD1-CB 3.25Å; N28-A31 PolarHBondContact OD1-N 3.44Å; H29-A31 PolarHBondContact O-N 3.15Å; A31-V33 VanDerWaalsContact C-N 3.33Å
32K97.9Very high97.9Very high109 Ų10954.9 Ų54.947%0.47430%0.295SS..Hα-helixtrans-75.6-23.5172.9-66.2174.8-175.6174.40113.1N28 H29 M30 D95N28-K32 PolarHBondContact O-N 2.93Å; H29-K32 PolarHBondContact O-N 2.83Å; M30-K32 PolarHBondContact O-N 3.33Å; K32-D95 IonicContact NZ-OD2 3.82Å
33V98.1Very high97.8Very high23 Ų2350.2 Ų50.214%0.13927%0.268CS..Hα-helixtrans-102.5-41.6-172173.70000111.6H29 M30 A31 T35 M38 L88 P91 V92H29-V33 WeakPolarHBondContact O-CG2 3.37Å; H29-V33 PolarHBondContact O-N 3.31Å; M30-V33 PolarHBondContact O-N 3.22Å; A31-V33 VanDerWaalsContact C-N 3.33Å; V33-T35 PolarHBondContact O-N 2.9Å; V33-M38 HydrophobicContact CG1-CE 4.06Å; V33-M38 HydrophobicContact CG1-SD 4.4Å; V33-L88 HydrophobicContact CB-CD1 4.19Å; V33-L88 HydrophobicContact CG1-CD1 3.79Å; V33-P91 HydrophobicContact CG1-CB 3.69Å; V33-P91 HydrophobicContact CG1-CG 4.03Å; V33-P91 HydrophobicContact CG2-CB 3.99Å; V33-V92 HydrophobicContact CB-CG2 4.05Å; V33-V92 HydrophobicContact CG1-CG2 4.36Å; V33-V92 HydrophobicContact CG2-CG2 3.86Å
34L98.7Very high97.8Very high13 Ų1354.6 Ų54.67%0.06829%0.292CS..  trans-63.9127.9-172.9-17169.4000111.1F20 P21 L23 M30 M38 Y39 I57 L88F20-L34 HydrophobicContact CE2-CD2 4.05Å; F20-L34 HydrophobicContact CE2-CG 3.98Å; F20-L34 HydrophobicContact CZ-CD2 4.43Å; F20-L34 HydrophobicContact CZ-CG 4.35Å; P21-L34 HydrophobicContact CG-CD2 3.89Å; L23-L34 HydrophobicContact CD1-CB 4.43Å; L23-L34 HydrophobicContact CD1-CD2 4.04Å; M30-L34 PolarHBondContact O-N 3.49Å; M30-L34 HydrophobicContact SD-CB 3.94Å; M30-L34 HydrophobicContact SD-CD2 3.89Å; L34-M38 HydrophobicContact CD1-CG 4.46Å; L34-M38 HydrophobicContact CD1-SD 4.15Å; L34-Y39 HydrophobicContact CD2-CD2 4.5Å; L34-I57 HydrophobicContact CD2-CD1 3.8Å; L34-L88 HydrophobicContact CB-CD1 4.3Å; L34-L88 HydrophobicContact CD1-CD1 4.19Å; L34-L88 HydrophobicContact CD1-CD2 4.48Å
35T98.6Very high97.9Very high68 Ų6854.8 Ų54.842%0.41728%0.282SS..  trans-120.9159.2173.863.10000110.2F20 V33 D37 M38 Y39F20-T35 WeakPolarHBondContact CE2-O 3.25Å; V33-T35 PolarHBondContact O-N 2.9Å; T35-D37 VanDerWaalsContact C-N 3.28Å; T35-D37 PolarHBondContact O-N 3.46Å; T35-M38 PolarHBondContact O-N 3.38Å; T35-M38 VanDerWaalsContact OG1-CB 3.28Å; T35-M38 WeakPolarHBondContact OG1-CB 3.29Å; T35-M38 PolarHBondContact OG1-N 3.09Å; T35-Y39 WeakPolarHBondContact O-CB 3.33Å; T35-Y39 PolarHBondContact O-N 3.34Å
36L98.6Very high98Very high59 Ų5952.9 Ų52.931%0.30927%0.273SS..Hα-helixtrans-57.6-42.5176.1175.562.9000111.8A16 E17 F20 Y39 A40A16-L36 HydrophobicContact CB-CD1 4.27Å; E17-L36 HydrophobicContact CG-CD1 4.19Å; E17-L36 HydrophobicContact CG-CD2 3.81Å; F20-L36 HydrophobicContact CB-CD1 3.83Å; F20-L36 HydrophobicContact CD2-CB 4.28Å; F20-L36 HydrophobicContact CD2-CD1 3.92Å; F20-L36 HydrophobicContact CE2-CB 4.31Å; F20-L36 HydrophobicContact CG-CD1 3.89Å; L36-Y39 PolarHBondContact O-N 3.17Å; L36-A40 WeakPolarHBondContact O-CB 3.27Å; L36-A40 PolarHBondContact O-N 3.43Å
37D98.6Very high98Very high118 Ų11850.9 Ų50.963%0.63126%0.264SS*.Hα-helixtrans-62.5-44.5178.3-69.4-16.1000111.5T35 A40 Q41T35-D37 VanDerWaalsContact C-N 3.28Å; T35-D37 PolarHBondContact O-N 3.46Å; D37-A40 PolarHBondContact O-N 3Å; D37-Q41 VanDerWaalsContact O-CG 3.27Å; D37-Q41 WeakPolarHBondContact O-CG 3.38Å; D37-Q41 PolarHBondContact O-N 2.98Å; D37-Q41 VanDerWaalsContact O-N 3.09Å
38M98.6Very high98.1Very high30 Ų3051.8 Ų51.815%0.14828%0.275CS..Hα-helixtrans-62.4-45175.5-178-174.1-68.400111.2V33 L34 T35 A40 Q41 L42 D87 L88V33-M38 HydrophobicContact CG1-CE 4.06Å; V33-M38 HydrophobicContact CG1-SD 4.4Å; L34-M38 HydrophobicContact CD1-CG 4.46Å; L34-M38 HydrophobicContact CD1-SD 4.15Å; T35-M38 PolarHBondContact O-N 3.38Å; T35-M38 VanDerWaalsContact OG1-CB 3.28Å; T35-M38 WeakPolarHBondContact OG1-CB 3.29Å; T35-M38 PolarHBondContact OG1-N 3.09Å; M38-A40 PolarHBondContact O-N 3.31Å; M38-Q41 PolarHBondContact O-N 3.08Å; M38-L42 HydrophobicContact CG-CD1 3.64Å; M38-L42 HydrophobicContact CG-CG 4.35Å; M38-L42 WeakPolarHBondContact O-CB 3.4Å; M38-L42 WeakPolarHBondContact O-CG 3.39Å; M38-L42 PolarHBondContact O-N 2.99Å; M38-L42 HydrophobicContact SD-CD1 4.43Å; M38-D87 WeakPolarHBondContact CE-O 3.44Å; M38-L88 HydrophobicContact SD-CB 3.78Å; M38-L88 HydrophobicContact SD-CD1 3.86Å; M38-L88 HydrophobicContact SD-CG 4.42Å
39Y98.7Very high98.1Very high0 Ų053.7 Ų53.70%029%0.288CS..Hα-helixtrans-60.5-46.5176.8-175.4-96.4000111.4A16 E19 F20 L34 T35 L36 Q41 L42 R43 L53 D54 I57A16-Y39 HydrophobicContact CB-CD1 4.42Å; E19-Y39 HydrophobicContact CB-CE1 4.13Å; F20-Y39 HydrophobicContact CB-CD1 4.36Å; F20-Y39 AromaticContact CD2-CD1 3.93Å; F20-Y39 HydrophobicContact CD2-CD1 3.93Å; F20-Y39 HydrophobicContact CD2-CD2 4.28Å; F20-Y39 AromaticContact CD2-CG 3.65Å; F20-Y39 HydrophobicContact CD2-CG 3.65Å; F20-Y39 HydrophobicContact CE2-CG 4.24Å; L34-Y39 HydrophobicContact CD2-CD2 4.5Å; T35-Y39 WeakPolarHBondContact O-CB 3.33Å; T35-Y39 PolarHBondContact O-N 3.34Å; L36-Y39 PolarHBondContact O-N 3.17Å; Y39-Q41 VanDerWaalsContact C-N 3.26Å; Y39-Q41 PolarHBondContact O-N 2.77Å; Y39-L42 PolarHBondContact O-N 3.23Å; Y39-R43 HydrophobicContact CD1-CB 4.29Å; Y39-R43 HydrophobicContact CE1-CB 3.99Å; Y39-R43 HydrophobicContact CE1-CG 4.39Å; Y39-R43 VanDerWaalsContact CE1-NE 3.33Å; Y39-R43 HydrophobicContact CE2-CB 4.4Å; Y39-R43 WeakPolarHBondContact O-CB 3.25Å; Y39-R43 VanDerWaalsContact O-CG 3.29Å; Y39-R43 WeakPolarHBondContact O-CG 3.2Å; Y39-R43 PolarHBondContact O-N 3.09Å; Y39-L53 HydrophobicContact CD2-CD2 3.43Å; Y39-L53 VanDerWaalsContact CD2-CD2 3.43Å; Y39-L53 HydrophobicContact CD2-CG 4.39Å; Y39-L53 HydrophobicContact CE2-CD2 3.85Å; Y39-L53 HydrophobicContact CG-CD2 4.17Å; Y39-D54 VanDerWaalsContact CE2-OD1 3.22Å; Y39-D54 WeakPolarHBondContact CE2-OD1 3.47Å; Y39-D54 PolarHBondContact OH-OD1 2.71Å; Y39-I57 HydrophobicContact CD2-CD1 4.39Å; Y39-I57 HydrophobicContact CE2-CD1 4.17Å
40A98.3Very high98.1Very high46 Ų4653.4 Ų53.438%0.3829%0.289SS..Hα-helixtrans-59.2-35.4177.600000113A16 L36 D37 M38A16-A40 HydrophobicContact CB-CB 3.66Å; L36-A40 WeakPolarHBondContact O-CB 3.27Å; L36-A40 PolarHBondContact O-N 3.43Å; D37-A40 PolarHBondContact O-N 3Å; M38-A40 PolarHBondContact O-N 3.31Å
41Q98.3Very high98.1Very high122 Ų12253.7 Ų53.757%0.5729%0.29SS*.Hα-helixtrans-79.4-25.5179.3-71.517412.900114.5D37 M38 Y39 K45D37-Q41 VanDerWaalsContact O-CG 3.27Å; D37-Q41 WeakPolarHBondContact O-CG 3.38Å; D37-Q41 PolarHBondContact O-N 2.98Å; D37-Q41 VanDerWaalsContact O-N 3.09Å; M38-Q41 PolarHBondContact O-N 3.08Å; Y39-Q41 VanDerWaalsContact C-N 3.26Å; Y39-Q41 PolarHBondContact O-N 2.77Å; Q41-K45 WeakPolarHBondContact O-CE 3.36Å
42L98.3Very high98.1Very high1 Ų153.5 Ų53.51%0.00529%0.287CS..Hα-helixtrans-107.3-20.7-172.7-65.6-179.1000113.2M38 Y39 D44 K45 L53 F85 D87 L88M38-L42 HydrophobicContact CG-CD1 3.64Å; M38-L42 HydrophobicContact CG-CG 4.35Å; M38-L42 WeakPolarHBondContact O-CB 3.4Å; M38-L42 WeakPolarHBondContact O-CG 3.39Å; M38-L42 PolarHBondContact O-N 2.99Å; M38-L42 HydrophobicContact SD-CD1 4.43Å; Y39-L42 PolarHBondContact O-N 3.23Å; L42-D44 VanDerWaalsContact C-N 3.25Å; L42-D44 PolarHBondContact O-N 2.88Å; L42-K45 HydrophobicContact CD2-CD 3.77Å; L42-K45 WeakPolarHBondContact O-CB 3.46Å; L42-K45 PolarHBondContact O-N 2.72Å; L42-L53 HydrophobicContact CB-CD1 4.27Å; L42-L53 HydrophobicContact CB-CD2 3.69Å; L42-L53 HydrophobicContact CB-CG 4.41Å; L42-L53 HydrophobicContact CD1-CD1 4.24Å; L42-F85 HydrophobicContact CB-CD1 4.38Å; L42-D87 HydrophobicContact CD1-CB 4.35Å; L42-L88 HydrophobicContact CD1-CB 4.22Å
43R96.8Very high98.1Very high24 Ų2448.3 Ų48.39%0.09126%0.264CS..THydrogen-bonded Turntrans-65.7-21.5-171.267.6-177.1-57.8-128.6-7.4115.1K11 M12 Y14 S15 E19 Y39 L53K11-R43 PolarHBondContact O-NH2 2.94Å; M12-R43 HydrophobicContact CE-CB 4.48Å; M12-R43 HydrophobicContact CE-CG 4.35Å; M12-R43 WeakPolarHBondContact CE-O 3.32Å; Y14-R43 PolarHBondContact O-NH1 3.37Å; S15-R43 VanDerWaalsContact C-NH1 3.28Å; S15-R43 PolarHBondContact O-NH1 2.66Å; E19-R43 VanDerWaalsContact CB-NH2 3.29Å; E19-R43 VanDerWaalsContact CG-NH2 3.26Å; Y39-R43 HydrophobicContact CD1-CB 4.29Å; Y39-R43 HydrophobicContact CE1-CB 3.99Å; Y39-R43 HydrophobicContact CE1-CG 4.39Å; Y39-R43 VanDerWaalsContact CE1-NE 3.33Å; Y39-R43 HydrophobicContact CE2-CB 4.4Å; Y39-R43 WeakPolarHBondContact O-CB 3.25Å; Y39-R43 VanDerWaalsContact O-CG 3.29Å; Y39-R43 WeakPolarHBondContact O-CG 3.2Å; Y39-R43 PolarHBondContact O-N 3.09Å; R43-L53 HydrophobicContact CB-CD2 4.44Å
44D96.5Very high98.1Very high116 Ų11648 Ų4862%0.6226%0.262SS*.THydrogen-bonded Turntrans-91.8-1.2177.270.5-24.3000113.1M12 L42M12-D44 HydrophobicContact SD-CB 4.44Å; L42-D44 VanDerWaalsContact C-N 3.25Å; L42-D44 PolarHBondContact O-N 2.88Å
45K97.9Very high98.1Very high88 Ų8848 Ų4838%0.38326%0.262SS..  trans-87.1146177.3-57.6-178.1-174.5-67.30111.3Q41 L42 V84 F85Q41-K45 WeakPolarHBondContact O-CE 3.36Å; L42-K45 HydrophobicContact CD2-CD 3.77Å; L42-K45 WeakPolarHBondContact O-CB 3.46Å; L42-K45 PolarHBondContact O-N 2.72Å; K45-V84 HydrophobicContact CB-CG1 3.92Å; K45-V84 HydrophobicContact CD-CG1 4.29Å; K45-F85 HydrophobicContact CB-CE1 3.95Å; K45-F85 HydrophobicContact CB-CZ 4.39Å
46E97.8Very high98.1Very high125 Ų12544.8 Ų44.858%0.58424%0.242SC*.BIsolated β-bridgetrans-137.715016964.5-176.6-170.900109.7F51 T52E46-F51 VanDerWaalsContact CA-O 3.31Å; E46-F51 WeakPolarHBondContact CA-O 3.45Å; E46-T52 HydrophobicContact CB-CG2 4.31Å
47T98.6Very high98.1Very high3 Ų342.1 Ų42.12%0.01823%0.228CC..  trans-73.3170.7170.268.50000110.3S49 G50 F51 D78 E80 V84 F85T47-S49 PolarHBondContact O-N 3.45Å; T47-S49 PolarHBondContact OG1-N 3.33Å; T47-S49 PolarHBondContact OG1-OG 2.83Å; T47-S49 VanDerWaalsContact OG1-OG 3.08Å; T47-G50 PolarHBondContact O-N 2.95Å; T47-F51 HydrophobicContact CG2-CB 4.1Å; T47-F51 PolarHBondContact N-O 3.49Å; T47-F51 VanDerWaalsContact OG1-CB 3.31Å; T47-F51 WeakPolarHBondContact OG1-CB 3.44Å; T47-F51 PolarHBondContact OG1-N 3.46Å; T47-F51 VanDerWaalsContact OG1-N 3.1Å; T47-D78 WeakPolarHBondContact CB-OD2 3.44Å; T47-D78 WeakPolarHBondContact CG2-OD1 3.23Å; T47-D78 PolarHBondContact OG1-OD2 2.93Å; T47-E80 HydrophobicContact CG2-CB 4.44Å; T47-V84 HydrophobicContact CG2-CB 4.26Å; T47-V84 HydrophobicContact CG2-CG2 4.19Å; T47-F85 HydrophobicContact CG2-CE2 3.87Å
48P98.4Very high98.1Very high110 Ų11038.4 Ų38.471%0.71421%0.207SC*.THydrogen-bonded Turntrans-56.8-24.2176.2-26.636.5000114.6E80P48-E80 HydrophobicContact CG-CG 4.04Å
49S97.7Very high98.1Very high39 Ų3937.2 Ų37.227%0.27320%0.202SC..THydrogen-bonded Turntrans-87.3-3.1175.876.60000113.8T47 D78 C141 H145T47-S49 PolarHBondContact O-N 3.45Å; T47-S49 PolarHBondContact OG1-N 3.33Å; T47-S49 PolarHBondContact OG1-OG 2.83Å; T47-S49 VanDerWaalsContact OG1-OG 3.08Å; S49-D78 WeakPolarHBondContact CB-OD2 3.41Å; S49-D78 PolarHBondContact OG-OD2 3.27Å; S49-C141 WeakPolarHBondContact CB-SG 3.46Å; S49-H145 PolarHBondContact O-NE2 3.02Å; S49-H145 PolarHBondContact OG-CD2 3.12Å; S49-H145 PolarHBondContact OG-NE2 2.86Å
50G97.4Very high98Very high8 Ų837.2 Ų37.28%0.08220%0.202CC..  trans8221-176.900000114.4T47T47-G50 PolarHBondContact O-N 2.95Å
51F98.1Very high98Very high5 Ų536.9 Ų36.92%0.02220%0.195CC..  trans-78.3131.2173.9-158-109.7000110E46 T47 D55 V56 V75 T81 P144 H145E46-F51 VanDerWaalsContact CA-O 3.31Å; E46-F51 WeakPolarHBondContact CA-O 3.45Å; T47-F51 HydrophobicContact CG2-CB 4.1Å; T47-F51 PolarHBondContact N-O 3.49Å; T47-F51 VanDerWaalsContact OG1-CB 3.31Å; T47-F51 WeakPolarHBondContact OG1-CB 3.44Å; T47-F51 PolarHBondContact OG1-N 3.46Å; T47-F51 VanDerWaalsContact OG1-N 3.1Å; F51-D55 HydrophobicContact CD1-CB 4.21Å; F51-D55 HydrophobicContact CD2-CB 3.68Å; F51-D55 HydrophobicContact CE1-CB 3.87Å; F51-D55 HydrophobicContact CE2-CB 3.33Å; F51-D55 HydrophobicContact CG-CB 4.13Å; F51-D55 HydrophobicContact CZ-CB 3.42Å; F51-D55 VanDerWaalsContact CZ-CB 3.42Å; F51-V56 HydrophobicContact CD1-CG2 3.92Å; F51-V56 HydrophobicContact CE1-CB 4.42Å; F51-V56 HydrophobicContact CE1-CG2 3.62Å; F51-V75 HydrophobicContact CZ-CG2 4.41Å; F51-T81 HydrophobicContact CD1-CG2 4.34Å; F51-T81 HydrophobicContact CE1-CG2 4.46Å; F51-P144 HydrophobicContact CE2-CB 4.24Å; F51-P144 HydrophobicContact CZ-CB 4.2Å; F51-H145 HydrophobicContact CD2-CB 3.6Å; F51-H145 AromaticContact CD2-CD2 3.89Å; F51-H145 AromaticContact CD2-CG 3.48Å; F51-H145 VanDerWaalsContact CD2-CG 3.48Å; F51-H145 AromaticContact CD2-ND1 3.73Å; F51-H145 HydrophobicContact CE2-CB 3.79Å
52T98.3Very high98Very high16 Ų1634.5 Ų34.510%0.09819%0.186CC..BIsolated β-bridgetrans-112.9169.6-170.6710000112.6E46 D54 D55 V56 F85E46-T52 HydrophobicContact CB-CG2 4.31Å; T52-D54 PolarHBondContact O-N 3.37Å; T52-D54 PolarHBondContact OG1-N 3.12Å; T52-D55 WeakPolarHBondContact CB-OD2 3.11Å; T52-D55 PolarHBondContact N-OD2 2.69Å; T52-D55 PolarHBondContact O-N 2.76Å; T52-D55 VanDerWaalsContact O-N 3.12Å; T52-D55 PolarHBondContact OG1-N 3.16Å; T52-D55 PolarHBondContact OG1-OD2 3Å; T52-V56 WeakPolarHBondContact O-CG2 3.37Å; T52-V56 PolarHBondContact O-N 3.44Å; T52-F85 VanDerWaalsContact C-CZ 3.46Å
53L98.4Very high97.8Very high0 Ų035.3 Ų35.30%019%0.191CC..Hα-helixtrans-56.6-39.3173.5-178.867.7000112.3Y39 L42 R43 D55 V56 I57 F85 L88Y39-L53 HydrophobicContact CD2-CD2 3.43Å; Y39-L53 VanDerWaalsContact CD2-CD2 3.43Å; Y39-L53 HydrophobicContact CD2-CG 4.39Å; Y39-L53 HydrophobicContact CE2-CD2 3.85Å; Y39-L53 HydrophobicContact CG-CD2 4.17Å; L42-L53 HydrophobicContact CB-CD1 4.27Å; L42-L53 HydrophobicContact CB-CD2 3.69Å; L42-L53 HydrophobicContact CB-CG 4.41Å; L42-L53 HydrophobicContact CD1-CD1 4.24Å; R43-L53 HydrophobicContact CB-CD2 4.44Å; L53-D55 VanDerWaalsContact C-N 3.29Å; L53-D55 PolarHBondContact O-N 3.41Å; L53-V56 WeakPolarHBondContact O-CB 3.43Å; L53-V56 PolarHBondContact O-N 3.3Å; L53-I57 HydrophobicContact CD1-CG2 4.24Å; L53-I57 WeakPolarHBondContact O-CG1 3.15Å; L53-I57 PolarHBondContact O-N 3.47Å; L53-F85 HydrophobicContact CB-CD1 4.11Å; L53-F85 HydrophobicContact CB-CE1 3.74Å; L53-F85 HydrophobicContact CB-CZ 4.48Å; L53-F85 HydrophobicContact CD1-CD1 3.99Å; L53-F85 HydrophobicContact CD1-CE1 4.49Å; L53-F85 VanDerWaalsContact N-CZ 3.29Å; L53-L88 HydrophobicContact CD1-CD2 3.71Å
54D98.3Very high97.7Very high18 Ų1837.1 Ų37.110%0.09621%0.205CC..Hα-helixtrans-64.9-37.2179.5-70.5-21.8000111.1K11 Y39 T52 V56 I57 Q58K11-D54 WeakPolarHBondContact CD-OD2 3.29Å; K11-D54 WeakPolarHBondContact CE-OD2 3.43Å; K11-D54 IonicContact NZ-OD2 3.94Å; K11-D54 PolarHBondContact NZ-OD2 2.78Å; Y39-D54 VanDerWaalsContact CE2-OD1 3.22Å; Y39-D54 WeakPolarHBondContact CE2-OD1 3.47Å; Y39-D54 PolarHBondContact OH-OD1 2.71Å; T52-D54 PolarHBondContact O-N 3.37Å; T52-D54 PolarHBondContact OG1-N 3.12Å; D54-V56 VanDerWaalsContact C-N 3.34Å; D54-I57 PolarHBondContact O-N 3.41Å; D54-Q58 WeakPolarHBondContact O-CB 3.42Å; D54-Q58 PolarHBondContact O-N 3.35Å
55D98.3Very high97.4Very high12 Ų1233.1 Ų33.16%0.06419%0.191CC..Hα-helixtrans-66.8-38175.2-52.7-63000111.3T6 F51 T52 L53 I57T6-D55 WeakPolarHBondContact CA-OD1 2.91Å; T6-D55 VanDerWaalsContact CB-OD1 3.31Å; T6-D55 WeakPolarHBondContact CB-OD1 3.38Å; T6-D55 WeakPolarHBondContact CG2-OD1 3.5Å; T6-D55 WeakPolarHBondContact CG2-OD2 3.36Å; T6-D55 PolarHBondContact OG1-OD1 3.32Å; F51-D55 HydrophobicContact CD1-CB 4.21Å; F51-D55 HydrophobicContact CD2-CB 3.68Å; F51-D55 HydrophobicContact CE1-CB 3.87Å; F51-D55 HydrophobicContact CE2-CB 3.33Å; F51-D55 HydrophobicContact CG-CB 4.13Å; F51-D55 HydrophobicContact CZ-CB 3.42Å; F51-D55 VanDerWaalsContact CZ-CB 3.42Å; T52-D55 WeakPolarHBondContact CB-OD2 3.11Å; T52-D55 PolarHBondContact N-OD2 2.69Å; T52-D55 PolarHBondContact O-N 2.76Å; T52-D55 VanDerWaalsContact O-N 3.12Å; T52-D55 PolarHBondContact OG1-N 3.16Å; T52-D55 PolarHBondContact OG1-OD2 3Å; L53-D55 VanDerWaalsContact C-N 3.29Å; L53-D55 PolarHBondContact O-N 3.41Å; D55-I57 PolarHBondContact O-N 2.73Å
56V98.7Very high96.8Very high0 Ų030.7 Ų30.70%018%0.181CC..Hα-helixtrans-57.7-46.8174.8170.60000110.9F51 T52 L53 D54 C74 V75 T81 F85 L88 M89F51-V56 HydrophobicContact CD1-CG2 3.92Å; F51-V56 HydrophobicContact CE1-CB 4.42Å; F51-V56 HydrophobicContact CE1-CG2 3.62Å; T52-V56 WeakPolarHBondContact O-CG2 3.37Å; T52-V56 PolarHBondContact O-N 3.44Å; L53-V56 WeakPolarHBondContact O-CB 3.43Å; L53-V56 PolarHBondContact O-N 3.3Å; D54-V56 VanDerWaalsContact C-N 3.34Å; V56-C74 HydrophobicContact CG1-CB 3.76Å; V56-C74 CarbonylContact O-C 3.48Å; V56-C74 WeakPolarHBondContact O-CA 3.38Å; V56-C74 VanDerWaalsContact O-CB 3.23Å; V56-C74 WeakPolarHBondContact O-CB 3.35Å; V56-V75 WeakPolarHBondContact CA-O 3.26Å; V56-V75 PolarHBondContact O-N 3Å; V56-T81 HydrophobicContact CG2-CG2 3.75Å; V56-F85 HydrophobicContact CG2-CD2 3.77Å; V56-F85 HydrophobicContact CG2-CE2 4.02Å; V56-F85 HydrophobicContact CG2-CG 4.27Å; V56-L88 HydrophobicContact CG1-CD2 4.08Å; V56-M89 HydrophobicContact CG1-SD 3.94Å
57I98.6Very high95.9Very high3 Ų330 Ų302%0.01519%0.188CC..Hα-helixtrans-94.7-13.2-169.370.5-179.6000114.6P21 M30 L34 Y39 L53 D54 D55 T59 G60 V61 L88P21-I57 HydrophobicContact CG-CD1 4.15Å; M30-I57 HydrophobicContact CE-CB 3.97Å; M30-I57 HydrophobicContact CG-CB 4.09Å; M30-I57 HydrophobicContact CG-CG2 3.75Å; M30-I57 HydrophobicContact SD-CB 3.91Å; M30-I57 HydrophobicContact SD-CG2 3.92Å; L34-I57 HydrophobicContact CD2-CD1 3.8Å; Y39-I57 HydrophobicContact CD2-CD1 4.39Å; Y39-I57 HydrophobicContact CE2-CD1 4.17Å; L53-I57 HydrophobicContact CD1-CG2 4.24Å; L53-I57 WeakPolarHBondContact O-CG1 3.15Å; L53-I57 PolarHBondContact O-N 3.47Å; D54-I57 PolarHBondContact O-N 3.41Å; D55-I57 PolarHBondContact O-N 2.73Å; I57-T59 PolarHBondContact O-N 2.84Å; I57-T59 VanDerWaalsContact O-N 3.08Å; I57-G60 WeakPolarHBondContact O-CA 3.41Å; I57-G60 PolarHBondContact O-N 3.45Å; I57-V61 HydrophobicContact CD1-CG2 4.31Å; I57-V61 HydrophobicContact CG1-CG2 4.1Å; I57-V61 PolarHBondContact O-N 3.39Å; I57-L88 HydrophobicContact CG2-CD2 3.61Å
58Q98.4Very high94.7Very high40 Ų4035.8 Ų35.819%0.18721%0.213CC..Hα-helixtrans-52.1-41.6-170-171.567.569.300112.9D54 G60 V61 D62D54-Q58 WeakPolarHBondContact O-CB 3.42Å; D54-Q58 PolarHBondContact O-N 3.35Å; Q58-G60 VanDerWaalsContact C-N 3.3Å; Q58-G60 PolarHBondContact O-N 3.46Å; Q58-V61 PolarHBondContact O-N 3.01Å; Q58-D62 PolarHBondContact NE2-OD1 3.02Å; Q58-D62 PolarHBondContact O-N 3.48Å
59T97.6Very high93.8Very high5 Ų533.3 Ų33.33%0.03119%0.193CC..Hα-helixtrans-64.2-35.1179.9-164.90000112.4I57 N63 V75 L201I57-T59 PolarHBondContact O-N 2.84Å; I57-T59 VanDerWaalsContact O-N 3.08Å; T59-N63 WeakPolarHBondContact O-CB 3.42Å; T59-N63 PolarHBondContact O-N 3.44Å; T59-N63 VanDerWaalsContact O-N 3.08Å; T59-N63 PolarHBondContact O-ND2 3.39Å; T59-V75 HydrophobicContact CG2-CG1 4.14Å; T59-L201 PolarHBondContact OG1-O 2.95Å
60G98.1Very high93.3Very high0 Ų035 Ų350%020%0.197CC..Hα-helixtrans-74.6-32.8175.200000112.8H26 N28 I57 Q58 N63 G73H26-G60 PolarHBondContact CD2-O 3.43Å; N28-G60 PolarHBondContact ND2-O 3.39Å; I57-G60 WeakPolarHBondContact O-CA 3.41Å; I57-G60 PolarHBondContact O-N 3.45Å; Q58-G60 VanDerWaalsContact C-N 3.3Å; Q58-G60 PolarHBondContact O-N 3.46Å; G60-N63 CarbonylContact O-C 3.51Å; G60-N63 VanDerWaalsContact O-O 3.1Å; G60-G73 VanDerWaalsContact CA-CA 3.47Å; G60-G73 WeakPolarHBondContact CA-O 3.27Å; G60-G73 PolarHBondContact N-O 3.22Å
61V97.9Very high93Very high39 Ų3934.9 Ų34.924%0.23620%0.195CC..Hα-helixtrans-65.4-47.7174.1177.90000110.6P21 L23 H26 M30 I57 Q58 N63P21-V61 HydrophobicContact CB-CG1 4.15Å; P21-V61 HydrophobicContact CB-CG2 3.72Å; P21-V61 HydrophobicContact CG-CG2 4.13Å; L23-V61 HydrophobicContact CD2-CG2 4.25Å; H26-V61 PolarHBondContact NE2-O 3.06Å; M30-V61 HydrophobicContact CE-CG2 4.22Å; I57-V61 HydrophobicContact CD1-CG2 4.31Å; I57-V61 HydrophobicContact CG1-CG2 4.1Å; I57-V61 PolarHBondContact O-N 3.39Å; Q58-V61 PolarHBondContact O-N 3.01Å; V61-N63 VanDerWaalsContact C-N 3.29Å; V61-N63 PolarHBondContact O-N 3.41Å
62D97Very high92.9Very high72 Ų7235 Ų3539%0.38520%0.196SC..Hα-helixtrans-72-24-178.4-71.45.7000112.5Q58 A204Q58-D62 PolarHBondContact NE2-OD1 3.02Å; Q58-D62 PolarHBondContact O-N 3.48Å; D62-A204 HydrophobicContact CB-CB 3.8Å
63N96Very high92.9Very high19 Ų1934.4 Ų34.410%0.10219%0.193CC..  trans-120.192.4-176.6-60.2-80.9000111.4N28 T59 G60 V61 G65 P200 L201 A204N28-N63 PolarHBondContact ND2-O 3.48Å; N28-N63 VanDerWaalsContact ND2-O 3.15Å; T59-N63 WeakPolarHBondContact O-CB 3.42Å; T59-N63 PolarHBondContact O-N 3.44Å; T59-N63 VanDerWaalsContact O-N 3.08Å; T59-N63 PolarHBondContact O-ND2 3.39Å; G60-N63 CarbonylContact O-C 3.51Å; G60-N63 VanDerWaalsContact O-O 3.1Å; V61-N63 VanDerWaalsContact C-N 3.29Å; V61-N63 PolarHBondContact O-N 3.41Å; N63-G65 PolarHBondContact O-N 3.24Å; N63-G65 VanDerWaalsContact O-N 3.07Å; N63-P200 PolarHBondContact ND2-O 3.21Å; N63-P200 WeakPolarHBondContact OD1-CB 3.17Å; N63-L201 HydrophobicContact CB-CD2 4.04Å; N63-A204 WeakPolarHBondContact ND2-CB 3.29Å
64P94.5Very high92.9Very high62 Ų6234.5 Ų34.540%0.40319%0.194SC..SBendtrans-65.3-14.6-178.626.3-34.6000113.5H26 N27H26-P64 CarbonylContact C-O 3.52Å; H26-P64 WeakPolarHBondContact CA-O 3.47Å; H26-P64 HydrophobicContact CB-CB 4.45Å; H26-P64 VanDerWaalsContact CD2-CA 3.49Å; H26-P64 WeakPolarHBondContact CD2-CA 3.29Å; N27-P64 CarbonylContact C-O 3.58Å; N27-P64 PolarHBondContact N-O 2.94Å
65G90.3Very high92.9Very high31 Ų3134.1 Ų34.132%0.3219%0.192SC..  trans179-172.6174.300000110.3N63N63-G65 PolarHBondContact O-N 3.24Å; N63-G65 VanDerWaalsContact O-N 3.07Å
66H84.3Confident93Very high37 Ų3733.6 Ų33.617%0.17119%0.189CC..  trans-137.2141.9175.4-167.6-99.3000111F68 I69 T71 D326H66-F68 AromaticContact CE1-CD2 3.77Å; H66-F68 PolarHBondContact ND1-N 3.34Å; H66-F68 PolarHBondContact O-N 2.89Å; H66-F68 VanDerWaalsContact O-N 3.1Å; H66-I69 HydrophobicContact CB-CG1 4.25Å; H66-I69 WeakPolarHBondContact CB-O 3.45Å; H66-T71 HydrophobicContact CB-CG2 3.48Å; H66-T71 VanDerWaalsContact CB-CG2 3.48Å; H66-D326 IonicContact CE1-OD1 3.14Å; H66-D326 PolarHBondContact CE1-OD1 3.02Å; H66-D326 IonicContact NE2-OD1 3.33Å; H66-D326 PolarHBondContact NE2-OD1 3.41Å
67P78.6Confident92.9Very high111 Ų11133.6 Ų33.672%0.72119%0.189SC*.SBendtrans-60.1-24.7-175-26.335.2000115.2
68F73.8Confident93Very high125 Ų12533.6 Ų33.655%0.54819%0.19SC..SBendtrans-117-20.8-169.1-56.2-62.7000115.3H66H66-F68 AromaticContact CE1-CD2 3.77Å; H66-F68 PolarHBondContact ND1-N 3.34Å; H66-F68 PolarHBondContact O-N 2.89Å; H66-F68 VanDerWaalsContact O-N 3.1Å
69I78.6Confident93Very high58 Ų5833.3 Ų33.330%0.29719%0.188SC..SBendtrans-146.8155.7-172.859.1162.8000111.6H66 T71 V325H66-I69 HydrophobicContact CB-CG1 4.25Å; H66-I69 WeakPolarHBondContact CB-O 3.45Å; I69-T71 HydrophobicContact CD1-CG2 4.38Å; I69-T71 HydrophobicContact CG1-CG2 4.3Å; I69-T71 PolarHBondContact O-N 2.9Å; I69-V325 HydrophobicContact CD1-CG2 3.75Å; I69-V325 HydrophobicContact CG1-CG2 4.25Å; I69-V325 HydrophobicContact CG2-CG2 4.19Å
70M87.3Confident93Very high74 Ų7436.8 Ų36.837%0.36520%0.204SC..  trans-72.3121.6162.1-1796964.600108.6N27 H29N27-M70 VanDerWaalsContact OD1-CE 3.31Å; N27-M70 WeakPolarHBondContact OD1-CE 3.17Å; H29-M70 WeakPolarHBondContact NE2-CG 3.34Å
71T92.2Very high93.1Very high5 Ų536.8 Ų36.83%0.03120%0.204CC..BIsolated β-bridgetrans-91156.1178.852.90000111.5N28 H29 H66 I69 L201N28-T71 WeakPolarHBondContact CA-O 3.48Å; N28-T71 WeakPolarHBondContact CB-O 3.24Å; N28-T71 WeakPolarHBondContact CB-OG1 3.36Å; H29-T71 PolarHBondContact CD2-O 3.07Å; H29-T71 VanDerWaalsContact CD2-O 3.23Å; H29-T71 PolarHBondContact N-O 3.37Å; H66-T71 HydrophobicContact CB-CG2 3.48Å; H66-T71 VanDerWaalsContact CB-CG2 3.48Å; I69-T71 HydrophobicContact CD1-CG2 4.38Å; I69-T71 HydrophobicContact CG1-CG2 4.3Å; I69-T71 PolarHBondContact O-N 2.9Å; T71-L201 HydrophobicContact CG2-CD1 3.91Å; T71-L201 HydrophobicContact CG2-CD2 4.16Å
72V96.8Very high93.1Very high8 Ų835.2 Ų35.25%0.04819%0.194CC..  trans-71.9-46.7176.3-176.20000111.1H29 M30 C74 V92 R96 P284H29-V72 CarbonylContact C-O 3.47Å; H29-V72 WeakPolarHBondContact CB-O 3.3Å; H29-V72 PolarHBondContact N-O 2.86Å; M30-V72 PolarHBondContact N-O 3.1Å; V72-C74 VanDerWaalsContact C-N 3.32Å; V72-V92 HydrophobicContact CG1-CG1 3.52Å; V72-R96 HydrophobicContact CG2-CG 4.35Å; V72-P284 HydrophobicContact CG1-CB 3.97Å; V72-P284 HydrophobicContact CG1-CG 3.82Å
73G97.5Very high93.2Very high4 Ų437.2 Ų37.24%0.04121%0.205CC..  trans80.97.7178.900000114.8M30 G60M30-G73 WeakPolarHBondContact CB-O 3.46Å; G60-G73 VanDerWaalsContact CA-CA 3.47Å; G60-G73 WeakPolarHBondContact CA-O 3.27Å; G60-G73 PolarHBondContact N-O 3.22Å
74C98.5Very high93.3Very high2 Ų238.4 Ų38.41%0.01421%0.212CC..  trans-144.9161.7168.461.10000112M30 V56 V72 P284M30-C74 HydrophobicContact CB-CB 4.18Å; M30-C74 HydrophobicContact CG-CB 4.11Å; V56-C74 HydrophobicContact CG1-CB 3.76Å; V56-C74 CarbonylContact O-C 3.48Å; V56-C74 WeakPolarHBondContact O-CA 3.38Å; V56-C74 VanDerWaalsContact O-CB 3.23Å; V56-C74 WeakPolarHBondContact O-CB 3.35Å; V72-C74 VanDerWaalsContact C-N 3.32Å; C74-P284 WeakPolarHBondContact O-CD 3.44Å
75V98.8Very high93.5Very high10 Ų1035.4 Ų35.46%0.06119%0.193CC..  trans-138.6158.5179.6-66.30000111.4F51 V56 T59 P144 T282F51-V75 HydrophobicContact CZ-CG2 4.41Å; V56-V75 WeakPolarHBondContact CA-O 3.26Å; V56-V75 PolarHBondContact O-N 3Å; T59-V75 HydrophobicContact CG2-CG1 4.14Å; V75-P144 HydrophobicContact CB-CG 4.11Å; V75-P144 HydrophobicContact CG2-CB 4.15Å; V75-P144 HydrophobicContact CG2-CG 3.91Å; V75-T282 CarbonylContact C-O 3.58Å; V75-T282 WeakPolarHBondContact CA-O 3.31Å; V75-T282 HydrophobicContact CB-CG2 4.03Å; V75-T282 HydrophobicContact CG1-CG2 4.09Å
76A98.8Very high93.9Very high0 Ų039 Ų390%020%0.2CC..  trans-95.2139.5168.400000111.8T81 Y82 L142 P144 T282A76-T81 HydrophobicContact CB-CG2 3.71Å; A76-Y82 HydrophobicContact CB-CD2 3.94Å; A76-Y82 HydrophobicContact CB-CE2 3.29Å; A76-L142 HydrophobicContact CB-CD1 3.65Å; A76-L142 WeakPolarHBondContact O-CD1 3.25Å; A76-P144 WeakPolarHBondContact O-CG 3.35Å; A76-T282 PolarHBondContact N-O 2.85Å
77G98.5Very high94.6Very high0 Ų041.1 Ų41.10%021%0.212CC..SBendtrans-96.3-19.8176.300000113.3T81 C141 L142G77-T81 PolarHBondContact N-OG1 3.27Å; G77-T81 VanDerWaalsContact N-OG1 3.15Å; G77-C141 CarbonylContact O-C 3.5Å; G77-C141 WeakPolarHBondContact O-CA 3.43Å; G77-C141 WeakPolarHBondContact O-CB 3.41Å; G77-L142 PolarHBondContact O-N 2.7Å
78D98.8Very high95.5Very high4 Ų435.8 Ų35.82%0.02118%0.178CC..SBendtrans-160.7-179.1178.351.229.2000110.1T47 S49 E80 T81T47-D78 WeakPolarHBondContact CB-OD2 3.44Å; T47-D78 WeakPolarHBondContact CG2-OD1 3.23Å; T47-D78 PolarHBondContact OG1-OD2 2.93Å; S49-D78 WeakPolarHBondContact CB-OD2 3.41Å; S49-D78 PolarHBondContact OG-OD2 3.27Å; D78-E80 VanDerWaalsContact C-N 3.34Å; D78-T81 PolarHBondContact N-OG1 2.9Å; D78-T81 WeakPolarHBondContact O-CB 3.41Å; D78-T81 PolarHBondContact O-N 3.45Å; D78-T81 PolarHBondContact O-OG1 3.36Å; D78-T81 WeakPolarHBondContact OD1-CB 3.34Å; D78-T81 PolarHBondContact OD1-N 2.97Å; D78-T81 PolarHBondContact OD1-OG1 3.48Å
79E98.8Very high96.7Very high33 Ų3329.9 Ų29.915%0.15415%0.152CC..SBendtrans-65.6-40.9-179.1-167.2167.2-162.700110.6T81 Y82 R138 M272 W273E79-T81 PolarHBondContact O-N 3.13Å; E79-Y82 PolarHBondContact O-N 2.87Å; E79-R138 IonicContact OE1-CZ 2.69Å; E79-R138 IonicContact OE1-NE 2.76Å; E79-R138 PolarHBondContact OE1-NE 3.28Å; E79-R138 IonicContact OE1-NH2 3.12Å; E79-R138 PolarHBondContact OE1-NH2 2.94Å; E79-R138 WeakPolarHBondContact OE2-CG 3.33Å; E79-R138 IonicContact OE2-CZ 2.66Å; E79-R138 IonicContact OE2-NE 2.78Å; E79-R138 PolarHBondContact OE2-NE 2.9Å; E79-R138 IonicContact OE2-NH2 3.27Å; E79-M272 HydrophobicContact CB-CE 4.18Å; E79-M272 HydrophobicContact CB-CG 4.25Å; E79-M272 HydrophobicContact CB-SD 3.85Å; E79-M272 HydrophobicContact CG-CB 4.2Å; E79-M272 HydrophobicContact CG-CG 4.22Å; E79-M272 HydrophobicContact CG-SD 4.29Å; E79-M272 WeakPolarHBondContact OE1-CA 3.49Å; E79-W273 PolarHBondContact OE1-N 2.93Å
80E98.8Very high97.7Very high79 Ų7928.7 Ų28.737%0.36915%0.146SC..THydrogen-bonded Turntrans-67.5-20.3-177.5-63.885.1169.400113.6T47 P48 D78 Y82 D83 V84T47-E80 HydrophobicContact CG2-CB 4.44Å; P48-E80 HydrophobicContact CG-CG 4.04Å; D78-E80 VanDerWaalsContact C-N 3.34Å; E80-Y82 PolarHBondContact O-N 2.91Å; E80-D83 PolarHBondContact O-N 3.4Å; E80-V84 HydrophobicContact CB-CG2 4.46Å; E80-V84 WeakPolarHBondContact O-CG2 3.38Å; E80-V84 PolarHBondContact O-N 2.83Å
81T98.9Very high98.2Very high0 Ų027.5 Ų27.50%014%0.144CC..Hα-helixtrans-51.5-40.6176-640000111.6F51 V56 A76 G77 D78 E79 D83 F85 M89F51-T81 HydrophobicContact CD1-CG2 4.34Å; F51-T81 HydrophobicContact CE1-CG2 4.46Å; V56-T81 HydrophobicContact CG2-CG2 3.75Å; A76-T81 HydrophobicContact CB-CG2 3.71Å; G77-T81 PolarHBondContact N-OG1 3.27Å; G77-T81 VanDerWaalsContact N-OG1 3.15Å; D78-T81 PolarHBondContact N-OG1 2.9Å; D78-T81 WeakPolarHBondContact O-CB 3.41Å; D78-T81 PolarHBondContact O-N 3.45Å; D78-T81 PolarHBondContact O-OG1 3.36Å; D78-T81 WeakPolarHBondContact OD1-CB 3.34Å; D78-T81 PolarHBondContact OD1-N 2.97Å; D78-T81 PolarHBondContact OD1-OG1 3.48Å; E79-T81 PolarHBondContact O-N 3.13Å; T81-D83 VanDerWaalsContact C-N 3.29Å; T81-D83 PolarHBondContact O-N 3.22Å; T81-F85 HydrophobicContact CG2-CD2 4.02Å; T81-F85 PolarHBondContact O-N 3.02Å; T81-F85 VanDerWaalsContact O-N 3.12Å; T81-M89 HydrophobicContact CG2-CE 4.47Å
82Y98.8Very high98.5Very high6 Ų627.3 Ų27.32%0.02414%0.143CC..Hα-helixtrans-69-26.2-179.5-73.9-79000113.3A76 E79 E80 K86 M89 I93 L277 V280 L281 P284 L287A76-Y82 HydrophobicContact CB-CD2 3.94Å; A76-Y82 HydrophobicContact CB-CE2 3.29Å; E79-Y82 PolarHBondContact O-N 2.87Å; E80-Y82 PolarHBondContact O-N 2.91Å; Y82-K86 WeakPolarHBondContact O-CA 3.36Å; Y82-K86 WeakPolarHBondContact O-CB 3.26Å; Y82-K86 PolarHBondContact O-N 2.75Å; Y82-M89 HydrophobicContact CD1-CB 4.27Å; Y82-M89 HydrophobicContact CD1-CE 3.55Å; Y82-M89 HydrophobicContact CD1-CG 4.45Å; Y82-M89 HydrophobicContact CE1-CE 3.22Å; Y82-M89 HydrophobicContact CG-CE 4.38Å; Y82-I93 HydrophobicContact CD1-CD1 4.16Å; Y82-I93 HydrophobicContact CE1-CD1 4.22Å; Y82-L277 HydrophobicContact CD1-CD1 3.84Å; Y82-L277 HydrophobicContact CD2-CD1 4.45Å; Y82-L277 HydrophobicContact CG-CD1 3.75Å; Y82-V280 HydrophobicContact CD2-CG1 3.6Å; Y82-V280 HydrophobicContact CE2-CG1 3.44Å; Y82-V280 VanDerWaalsContact CE2-CG1 3.44Å; Y82-L281 PolarHBondContact OH-O 2.58Å; Y82-P284 HydrophobicContact CE1-CG 4.27Å; Y82-L287 HydrophobicContact CD1-CD1 4.35Å; Y82-L287 HydrophobicContact CE1-CD1 3.64Å; Y82-L287 HydrophobicContact CE1-CD2 4.06Å; Y82-L287 HydrophobicContact CE1-CG 4.28Å; Y82-L287 HydrophobicContact CE2-CD2 4.15Å
83D98.6Very high98.6Very high114 Ų11427 Ų2761%0.6114%0.141SC*.Hα-helixtrans-88.1-45.3176.7-71.2-40.9000112.1E80 T81 F85 K86E80-D83 PolarHBondContact O-N 3.4Å; T81-D83 VanDerWaalsContact C-N 3.29Å; T81-D83 PolarHBondContact O-N 3.22Å; D83-F85 VanDerWaalsContact C-N 3.32Å; D83-F85 PolarHBondContact O-N 3.18Å; D83-K86 PolarHBondContact O-N 3.49Å
84V98.8Very high98.6Very high43 Ų4330.2 Ų30.226%0.26116%0.155SC..Hα-helixtrans-65-37.7-176.6173.50000111.4K45 T47 E80K45-V84 HydrophobicContact CB-CG1 3.92Å; K45-V84 HydrophobicContact CD-CG1 4.29Å; T47-V84 HydrophobicContact CG2-CB 4.26Å; T47-V84 HydrophobicContact CG2-CG2 4.19Å; E80-V84 HydrophobicContact CB-CG2 4.46Å; E80-V84 WeakPolarHBondContact O-CG2 3.38Å; E80-V84 PolarHBondContact O-N 2.83Å
85F98.8Very high98.4Very high0 Ų033.9 Ų33.90%017%0.174CC..THydrogen-bonded Turntrans-111.523.3-177.7-54.6-71.9000113L42 K45 T47 T52 L53 V56 T81 D83 D87 L88 M89L42-F85 HydrophobicContact CB-CD1 4.38Å; K45-F85 HydrophobicContact CB-CE1 3.95Å; K45-F85 HydrophobicContact CB-CZ 4.39Å; T47-F85 HydrophobicContact CG2-CE2 3.87Å; T52-F85 VanDerWaalsContact C-CZ 3.46Å; L53-F85 HydrophobicContact CB-CD1 4.11Å; L53-F85 HydrophobicContact CB-CE1 3.74Å; L53-F85 HydrophobicContact CB-CZ 4.48Å; L53-F85 HydrophobicContact CD1-CD1 3.99Å; L53-F85 HydrophobicContact CD1-CE1 4.49Å; L53-F85 VanDerWaalsContact N-CZ 3.29Å; V56-F85 HydrophobicContact CG2-CD2 3.77Å; V56-F85 HydrophobicContact CG2-CE2 4.02Å; V56-F85 HydrophobicContact CG2-CG 4.27Å; T81-F85 HydrophobicContact CG2-CD2 4.02Å; T81-F85 PolarHBondContact O-N 3.02Å; T81-F85 VanDerWaalsContact O-N 3.12Å; D83-F85 VanDerWaalsContact C-N 3.32Å; D83-F85 PolarHBondContact O-N 3.18Å; F85-D87 PolarHBondContact O-N 3.46Å; F85-D87 VanDerWaalsContact O-N 3.1Å; F85-L88 PolarHBondContact O-N 2.87Å; F85-M89 HydrophobicContact CB-CG 4.17Å; F85-M89 WeakPolarHBondContact O-CG 3.4Å; F85-M89 PolarHBondContact O-N 3.28Å
86K98.5Very high98.1Very high106 Ų10635.6 Ų35.646%0.46118%0.179SC..Hα-helixtrans-52.4-34.4-177.569.7-178.6-175.8174.20114.3Y82 D83 L88 M89 D90Y82-K86 WeakPolarHBondContact O-CA 3.36Å; Y82-K86 WeakPolarHBondContact O-CB 3.26Å; Y82-K86 PolarHBondContact O-N 2.75Å; D83-K86 PolarHBondContact O-N 3.49Å; K86-L88 PolarHBondContact O-N 3Å; K86-L88 VanDerWaalsContact O-N 3.14Å; K86-M89 PolarHBondContact O-N 2.98Å; K86-M89 VanDerWaalsContact O-N 3.14Å; K86-D90 VanDerWaalsContact O-CB 3.24Å; K86-D90 WeakPolarHBondContact O-CB 3.34Å; K86-D90 PolarHBondContact O-N 2.86Å
87D98.5Very high97.8Very high81 Ų8135.9 Ų35.943%0.43318%0.181SC..Hα-helixtrans-62.6-25.2-179.7-64.4-16.6000112.2M38 L42 F85 P91M38-D87 WeakPolarHBondContact CE-O 3.44Å; L42-D87 HydrophobicContact CD1-CB 4.35Å; F85-D87 PolarHBondContact O-N 3.46Å; F85-D87 VanDerWaalsContact O-N 3.1Å; D87-P91 WeakPolarHBondContact O-CD 3.38Å; D87-P91 WeakPolarHBondContact O-CG 3.4Å
88L98.8Very high97.3Very high0 Ų039 Ų390%021%0.212CC..Hα-helixtrans-92.3-44.6168.317564.8000112M30 V33 L34 M38 L42 L53 V56 I57 F85 K86 P91 V92M30-L88 HydrophobicContact CG-CD1 4.47Å; V33-L88 HydrophobicContact CB-CD1 4.19Å; V33-L88 HydrophobicContact CG1-CD1 3.79Å; L34-L88 HydrophobicContact CB-CD1 4.3Å; L34-L88 HydrophobicContact CD1-CD1 4.19Å; L34-L88 HydrophobicContact CD1-CD2 4.48Å; M38-L88 HydrophobicContact SD-CB 3.78Å; M38-L88 HydrophobicContact SD-CD1 3.86Å; M38-L88 HydrophobicContact SD-CG 4.42Å; L42-L88 HydrophobicContact CD1-CB 4.22Å; L53-L88 HydrophobicContact CD1-CD2 3.71Å; V56-L88 HydrophobicContact CG1-CD2 4.08Å; I57-L88 HydrophobicContact CG2-CD2 3.61Å; F85-L88 PolarHBondContact O-N 2.87Å; K86-L88 PolarHBondContact O-N 3Å; K86-L88 VanDerWaalsContact O-N 3.14Å; L88-P91 WeakPolarHBondContact O-CD 3.42Å; L88-V92 HydrophobicContact CD1-CG2 4.24Å; L88-V92 VanDerWaalsContact O-CG2 3.28Å; L88-V92 WeakPolarHBondContact O-CG2 3.4Å; L88-V92 PolarHBondContact O-N 2.73Å
89M98.6Very high97Very high0 Ų040.3 Ų40.30%023%0.228CC..Hα-helixtrans-69.2-40-170.7-61.1-63.9-82.100112.1V56 T81 Y82 F85 K86 V92 I93 P284V56-M89 HydrophobicContact CG1-SD 3.94Å; T81-M89 HydrophobicContact CG2-CE 4.47Å; Y82-M89 HydrophobicContact CD1-CB 4.27Å; Y82-M89 HydrophobicContact CD1-CE 3.55Å; Y82-M89 HydrophobicContact CD1-CG 4.45Å; Y82-M89 HydrophobicContact CE1-CE 3.22Å; Y82-M89 HydrophobicContact CG-CE 4.38Å; F85-M89 HydrophobicContact CB-CG 4.17Å; F85-M89 WeakPolarHBondContact O-CG 3.4Å; F85-M89 PolarHBondContact O-N 3.28Å; K86-M89 PolarHBondContact O-N 2.98Å; K86-M89 VanDerWaalsContact O-N 3.14Å; M89-V92 PolarHBondContact O-N 2.95Å; M89-I93 HydrophobicContact CB-CD1 4.42Å; M89-I93 WeakPolarHBondContact O-CB 3.35Å; M89-I93 WeakPolarHBondContact O-CD1 3.46Å; M89-I93 WeakPolarHBondContact O-CG1 3.48Å; M89-I93 PolarHBondContact O-N 3.01Å; M89-P284 HydrophobicContact CE-CG 3.72Å
90D98.6Very high96.9Very high34 Ų3439.5 Ų39.518%0.18222%0.223CC..Hα-helixtrans-63-51.1-177.9-75.5-2.4000112.3K86 V92 I93 E94 P102K86-D90 VanDerWaalsContact O-CB 3.24Å; K86-D90 WeakPolarHBondContact O-CB 3.34Å; K86-D90 PolarHBondContact O-N 2.86Å; D90-V92 VanDerWaalsContact C-N 3.28Å; D90-V92 PolarHBondContact O-N 3.39Å; D90-I93 WeakPolarHBondContact O-CB 3.46Å; D90-I93 PolarHBondContact O-N 3.33Å; D90-E94 WeakPolarHBondContact O-CB 3.33Å; D90-E94 PolarHBondContact O-N 3.24Å; D90-P102 HydrophobicContact CB-CG 3.94Å
91P98.6Very high96.9Very high49 Ų4941 Ų4132%0.31823%0.228SC..Hα-helixtrans-65.3-31.1176.6-19.430.9000113.3V33 D87 L88 E94 D95V33-P91 HydrophobicContact CG1-CB 3.69Å; V33-P91 HydrophobicContact CG1-CG 4.03Å; V33-P91 HydrophobicContact CG2-CB 3.99Å; D87-P91 WeakPolarHBondContact O-CD 3.38Å; D87-P91 WeakPolarHBondContact O-CG 3.4Å; L88-P91 WeakPolarHBondContact O-CD 3.42Å; P91-E94 PolarHBondContact O-N 2.9Å; P91-D95 PolarHBondContact O-N 3.32Å
92V98.5Very high96.8Very high0 Ų044.2 Ų44.20%025%0.25CC..Hα-helixtrans-65.5-43173.41670000110.8H29 V33 V72 L88 M89 D90 R96 P284H29-V92 HydrophobicContact CB-CG1 4.02Å; V33-V92 HydrophobicContact CB-CG2 4.05Å; V33-V92 HydrophobicContact CG1-CG2 4.36Å; V33-V92 HydrophobicContact CG2-CG2 3.86Å; V72-V92 HydrophobicContact CG1-CG1 3.52Å; L88-V92 HydrophobicContact CD1-CG2 4.24Å; L88-V92 VanDerWaalsContact O-CG2 3.28Å; L88-V92 WeakPolarHBondContact O-CG2 3.4Å; L88-V92 PolarHBondContact O-N 2.73Å; M89-V92 PolarHBondContact O-N 2.95Å; D90-V92 VanDerWaalsContact C-N 3.28Å; D90-V92 PolarHBondContact O-N 3.39Å; V92-R96 VanDerWaalsContact O-CB 3.23Å; V92-R96 WeakPolarHBondContact O-CB 3.47Å; V92-R96 PolarHBondContact O-N 2.84Å; V92-P284 HydrophobicContact CG1-CB 4.48Å
93I98.3Very high96.8Very high1 Ų148.3 Ų48.31%0.00528%0.279CS..Hα-helixtrans-63.8-45176-72.1163.2000110.2Y82 M89 D90 R96 H97 Y100 L277 P284 L287 L342Y82-I93 HydrophobicContact CD1-CD1 4.16Å; Y82-I93 HydrophobicContact CE1-CD1 4.22Å; M89-I93 HydrophobicContact CB-CD1 4.42Å; M89-I93 WeakPolarHBondContact O-CB 3.35Å; M89-I93 WeakPolarHBondContact O-CD1 3.46Å; M89-I93 WeakPolarHBondContact O-CG1 3.48Å; M89-I93 PolarHBondContact O-N 3.01Å; D90-I93 WeakPolarHBondContact O-CB 3.46Å; D90-I93 PolarHBondContact O-N 3.33Å; I93-R96 PolarHBondContact O-N 3.27Å; I93-H97 WeakPolarHBondContact O-CB 3.4Å; I93-H97 PolarHBondContact O-N 2.83Å; I93-Y100 HydrophobicContact CG2-CD1 4.13Å; I93-L277 HydrophobicContact CD1-CD2 3.97Å; I93-P284 HydrophobicContact CG1-CB 4.11Å; I93-L287 HydrophobicContact CD1-CD1 3.56Å; I93-L287 HydrophobicContact CG1-CD1 3.79Å; I93-L342 HydrophobicContact CG2-CD2 3.58Å
94E97.2Very high96.7Very high73 Ų7345.7 Ų45.734%0.34127%0.265SS..Hα-helixtrans-60.5-49179.1-170.9172.8156.300111.2D90 P91 R96 G98 G99 Y100D90-E94 WeakPolarHBondContact O-CB 3.33Å; D90-E94 PolarHBondContact O-N 3.24Å; P91-E94 PolarHBondContact O-N 2.9Å; E94-R96 PolarHBondContact O-N 2.9Å; E94-G98 PolarHBondContact O-N 2.87Å; E94-G99 WeakPolarHBondContact O-CA 3.37Å; E94-G99 PolarHBondContact O-N 3.2Å; E94-Y100 WeakPolarHBondContact CA-O 3.23Å; E94-Y100 WeakPolarHBondContact CB-O 3.29Å
95D94.3Very high96.7Very high78 Ų7849.7 Ų49.742%0.41728%0.279SS..Hα-helixtrans-64.8-40.6177.4-170.838.4000111.6H29 K32 P91H29-D95 IonicContact CE1-OD2 3.12Å; H29-D95 PolarHBondContact CE1-OD2 3.49Å; H29-D95 VanDerWaalsContact CE1-OD2 3.3Å; H29-D95 IonicContact CG-OD2 3.18Å; H29-D95 IonicContact ND1-OD2 3.58Å; H29-D95 PolarHBondContact ND1-OD2 3.1Å; K32-D95 IonicContact NZ-OD2 3.82Å; P91-D95 PolarHBondContact O-N 3.32Å
96R92.5Very high96.7Very high46 Ų4650.5 Ų50.517%0.17428%0.283CS..Hα-helixtrans-72.2-39.2-177.9178.157.2-170.283.31.9113H29 V72 V92 I93 E94 A339H29-R96 WeakPolarHBondContact NE2-CD 3.44Å; V72-R96 HydrophobicContact CG2-CG 4.35Å; V92-R96 VanDerWaalsContact O-CB 3.23Å; V92-R96 WeakPolarHBondContact O-CB 3.47Å; V92-R96 PolarHBondContact O-N 2.84Å; I93-R96 PolarHBondContact O-N 3.27Å; E94-R96 PolarHBondContact O-N 2.9Å; R96-A339 PolarHBondContact NH2-O 3.28Å
97H92.2Very high96.6Very high7 Ų749.9 Ų49.93%0.03228%0.28CS..THydrogen-bonded Turntrans-10328.2-174.8-65.6-80.3000113I93 G99 P284 S285 L342I93-H97 WeakPolarHBondContact O-CB 3.4Å; I93-H97 PolarHBondContact O-N 2.83Å; H97-G99 PolarHBondContact O-N 2.87Å; H97-P284 PolarHBondContact NE2-O 2.81Å; H97-S285 PolarHBondContact CE1-O 2.98Å; H97-L342 HydrophobicContact CB-CB 4.3Å
98G88.3Confident96.5Very high64 Ų6448.8 Ų48.866%0.6628%0.276SS*.THydrogen-bonded Turntrans69.137.716600000114.2E94E94-G98 PolarHBondContact O-N 2.87Å
99G93.8Very high96.5Very high33 Ų3350.8 Ų50.834%0.3429%0.287SS..SBendtrans9521.1177.400000114.7E94 H97 K101E94-G99 WeakPolarHBondContact O-CA 3.37Å; E94-G99 PolarHBondContact O-N 3.2Å; H97-G99 PolarHBondContact O-N 2.87Å; G99-K101 WeakPolarHBondContact O-CG 3.45Å; G99-K101 PolarHBondContact O-N 3.49Å
100Y96.5Very high96.4Very high15 Ų1552.3 Ų52.36%0.05930%0.295CS..  trans-67.7109.1174.6-169.2-97.4000110.5I93 E94 D104 K105 H106 H276 L342 G343I93-Y100 HydrophobicContact CG2-CD1 4.13Å; E94-Y100 WeakPolarHBondContact CA-O 3.23Å; E94-Y100 WeakPolarHBondContact CB-O 3.29Å; Y100-D104 HydrophobicContact CD1-CB 4.48Å; Y100-D104 HydrophobicContact CD2-CB 3.87Å; Y100-D104 HydrophobicContact CE1-CB 4.2Å; Y100-D104 HydrophobicContact CE2-CB 3.5Å; Y100-D104 HydrophobicContact CG-CB 4.36Å; Y100-K105 WeakPolarHBondContact OH-CA 3.46Å; Y100-K105 PolarHBondContact OH-N 2.88Å; Y100-K105 PolarHBondContact OH-O 3.26Å; Y100-H106 PolarHBondContact OH-N 3.06Å; Y100-H276 AromaticContact CE1-CE1 3.42Å; Y100-H276 VanDerWaalsContact CE1-CE1 3.42Å; Y100-H276 WeakPolarHBondContact CE1-CE1 3.38Å; Y100-H276 AromaticContact CE1-ND1 3.77Å; Y100-H276 WeakPolarHBondContact CE1-O 3.42Å; Y100-H276 PolarHBondContact OH-O 3.15Å; Y100-L342 HydrophobicContact CD1-CD2 3.31Å; Y100-L342 HydrophobicContact CD1-CG 3.7Å; Y100-L342 HydrophobicContact CD2-CG 4.12Å; Y100-L342 HydrophobicContact CE1-CD1 3.93Å; Y100-L342 HydrophobicContact CE1-CD2 3.46Å; Y100-L342 VanDerWaalsContact CE1-CD2 3.46Å; Y100-L342 HydrophobicContact CE1-CG 3.58Å; Y100-L342 HydrophobicContact CE2-CD1 4.5Å; Y100-L342 HydrophobicContact CE2-CG 4.05Å; Y100-L342 HydrophobicContact CG-CD2 3.89Å; Y100-L342 HydrophobicContact CG-CG 3.93Å; Y100-G343 VanDerWaalsContact CE2-CA 3.48Å
101K97.9Very high96.4Very high110 Ų11054.3 Ų54.348%0.47831%0.306SS..  trans-85.8157.5-170-59.1-176.2-178.5178.80111.6G99 S103 D104 H276G99-K101 WeakPolarHBondContact O-CG 3.45Å; G99-K101 PolarHBondContact O-N 3.49Å; K101-S103 PolarHBondContact O-N 3.2Å; K101-D104 PolarHBondContact N-OD2 3.28Å; K101-D104 WeakPolarHBondContact O-CB 3.15Å; K101-D104 PolarHBondContact O-N 3.44Å; K101-H276 PolarHBondContact O-CE1 3.31Å; K101-H276 VanDerWaalsContact O-CE1 3.25Å
102P97.6Very high96.4Very high69 Ų6952.3 Ų52.345%0.44829%0.293SS..THydrogen-bonded Turntrans-55.2-22.7172.4-27.936.6000114.8D90 H276D90-P102 HydrophobicContact CB-CG 3.94Å; P102-H276 PolarHBondContact O-CE1 3.44Å; P102-H276 PolarHBondContact O-ND1 2.92Å
103S97.6Very high96.3Very high92 Ų9258.5 Ų58.564%0.64332%0.322SS*.THydrogen-bonded Turntrans-85.2-14.1177.157.80000114.5K101K101-S103 PolarHBondContact O-N 3.2Å
104D97.9Very high96.3Very high59 Ų5961.8 Ų61.832%0.31634%0.34SS..  trans-76158.7-176-63.7-19.2000110.5Y100 K101 H276Y100-D104 HydrophobicContact CD1-CB 4.48Å; Y100-D104 HydrophobicContact CD2-CB 3.87Å; Y100-D104 HydrophobicContact CE1-CB 4.2Å; Y100-D104 HydrophobicContact CE2-CB 3.5Å; Y100-D104 HydrophobicContact CG-CB 4.36Å; K101-D104 PolarHBondContact N-OD2 3.28Å; K101-D104 WeakPolarHBondContact O-CB 3.15Å; K101-D104 PolarHBondContact O-N 3.44Å; D104-H276 PolarHBondContact O-ND1 3.03Å
105K98Very high96.4Very high127 Ų12758.4 Ų58.455%0.55232%0.324SS*.  trans-122.8141.8-178.9-67.8-177.2171.8-160.30110.5Y100 E275Y100-K105 WeakPolarHBondContact OH-CA 3.46Å; Y100-K105 PolarHBondContact OH-N 2.88Å; Y100-K105 PolarHBondContact OH-O 3.26Å; K105-E275 HydrophobicContact CB-CG 4.43Å; K105-E275 HydrophobicContact CD-CG 3.96Å; K105-E275 WeakPolarHBondContact CD-OE1 3.46Å; K105-E275 VanDerWaalsContact CE-CD 3.41Å; K105-E275 WeakPolarHBondContact CE-OE1 3.41Å; K105-E275 WeakPolarHBondContact CE-OE2 3.32Å; K105-E275 HydrophobicContact CG-CG 4.18Å; K105-E275 IonicContact NZ-OE1 3.83Å; K105-E275 PolarHBondContact NZ-OE1 3.1Å; K105-E275 IonicContact NZ-OE2 3.82Å; K105-E275 PolarHBondContact NZ-OE2 3.49Å
106H98.4Very high96.6Very high16 Ų1660.8 Ų60.87%0.07433%0.333CS..  trans-82.6145.3178.5-173.657.3000110.1Y100 E275 G278 G288 T289 L342 G343 F344Y100-H106 PolarHBondContact OH-N 3.06Å; H106-E275 PolarHBondContact N-O 3.3Å; H106-G278 WeakPolarHBondContact CD2-CA 3.3Å; H106-G288 VanDerWaalsContact CE1-CA 3.46Å; H106-G288 WeakPolarHBondContact CE1-CA 3.22Å; H106-G288 WeakPolarHBondContact NE2-CA 3.32Å; H106-T289 PolarHBondContact CE1-N 2.6Å; H106-T289 PolarHBondContact NE2-N 2.96Å; H106-L342 HydrophobicContact CB-CD1 4.08Å; H106-G343 PolarHBondContact ND1-N 3.3Å; H106-F344 PolarHBondContact CE1-O 3.15Å; H106-F344 VanDerWaalsContact CE1-O 3.27Å
107K96.1Very high96.9Very high93 Ų9360.1 Ų60.140%0.40434%0.34SS..  trans-119.2138.117454.2176.7165.8175.70109.4G343 S345 E348K107-G343 WeakPolarHBondContact CE-O 3.42Å; K107-S345 WeakPolarHBondContact O-CA 3.38Å; K107-E348 WeakPolarHBondContact CE-OE2 3.2Å; K107-E348 IonicContact NZ-OE1 2.81Å; K107-E348 PolarHBondContact NZ-OE1 2.88Å; K107-E348 IonicContact NZ-OE2 3Å; K107-E348 PolarHBondContact NZ-OE2 3.46Å
108T97.1Very high97.1Very high59 Ų5959.8 Ų59.836%0.36234%0.338SS..  trans-117.2134.6177.7-62.70000108.3L110 Y279 E346T108-L110 HydrophobicContact CG2-CD1 4.45Å; T108-L110 HydrophobicContact CG2-CG 4.32Å; T108-Y279 HydrophobicContact CG2-CE2 4.42Å; T108-E346 WeakPolarHBondContact CA-OE2 3.29Å
109D98.2Very high97.6Very high42 Ų4260.9 Ų60.923%0.22533%0.329CS..  trans-145.295172.8-174.22.8000109.4N111 N114 E346 V347D109-N111 VanDerWaalsContact C-N 3.32Å; D109-N111 VanDerWaalsContact OD1-CB 3.24Å; D109-N111 WeakPolarHBondContact OD1-CB 3.45Å; D109-N111 PolarHBondContact OD1-N 3.46Å; D109-N114 PolarHBondContact OD1-ND2 3.04Å; D109-N114 PolarHBondContact OD2-ND2 3.09Å; D109-E346 PolarHBondContact N-OE2 3.48Å; D109-E346 WeakPolarHBondContact O-CB 3.32Å; D109-V347 HydrophobicContact CB-CB 4.39Å; D109-V347 HydrophobicContact CB-CG2 4.22Å; D109-V347 WeakPolarHBondContact O-CG2 3.39Å; D109-V347 PolarHBondContact O-N 2.76Å
110L97.4Very high97.8Very high32 Ų3264.6 Ų64.617%0.16834%0.342CS..  trans-94.922174.2-70.2170.4000112.1T108 A112 F253 C254 L257 E346T108-L110 HydrophobicContact CG2-CD1 4.45Å; T108-L110 HydrophobicContact CG2-CG 4.32Å; L110-A112 PolarHBondContact O-N 3.14Å; L110-F253 HydrophobicContact CD2-CD1 4.45Å; L110-F253 HydrophobicContact CD2-CE1 3.94Å; L110-C254 HydrophobicContact CB-CB 4.48Å; L110-C254 VanDerWaalsContact O-CB 3.23Å; L110-C254 WeakPolarHBondContact O-CB 3.38Å; L110-C254 PolarHBondContact O-SG 3.43Å; L110-C254 VanDerWaalsContact O-SG 3.4Å; L110-L257 HydrophobicContact CD1-CD2 4Å; L110-L257 HydrophobicContact CD1-CG 4.5Å; L110-L257 HydrophobicContact CD2-CD2 4.09Å; L110-E346 HydrophobicContact CD2-CB 3.99Å; L110-E346 HydrophobicContact CD2-CG 3.61Å; L110-E346 HydrophobicContact CG-CG 4.33Å
111N98.2Very high97.8Very high75 Ų7564.2 Ų64.240%0.40134%0.34SS..  trans-87.697172-176.413.1000110.7D109 E113 N114 V347D109-N111 VanDerWaalsContact C-N 3.32Å; D109-N111 VanDerWaalsContact OD1-CB 3.24Å; D109-N111 WeakPolarHBondContact OD1-CB 3.45Å; D109-N111 PolarHBondContact OD1-N 3.46Å; N111-E113 PolarHBondContact O-N 3.23Å; N111-E113 VanDerWaalsContact O-N 3.08Å; N111-E113 WeakPolarHBondContact OD1-CB 3.4Å; N111-E113 PolarHBondContact OD1-N 2.76Å; N111-N114 PolarHBondContact ND2-OD1 3.06Å; N111-N114 WeakPolarHBondContact O-CB 3.17Å; N111-N114 PolarHBondContact O-N 2.87Å; N111-V347 VanDerWaalsContact O-CG2 3.3Å; N111-V347 WeakPolarHBondContact O-CG2 3.29Å
112A97.7Very high97.9Very high7 Ų760.6 Ų60.66%0.05833%0.326CS..G310 helixtrans-59.4-22.7-178.400000114.4L110 N114 L115 F250 T251 C254L110-A112 PolarHBondContact O-N 3.14Å; A112-N114 PolarHBondContact O-N 3.09Å; A112-L115 WeakPolarHBondContact O-CB 3.36Å; A112-L115 PolarHBondContact O-N 3.37Å; A112-L115 VanDerWaalsContact O-N 3.17Å; A112-F250 HydrophobicContact CB-CD1 3.94Å; A112-F250 HydrophobicContact CB-CE1 4.21Å; A112-T251 HydrophobicContact CB-CG2 4.5Å; A112-C254 HydrophobicContact CB-CB 4.33Å
113E97.9Very high97.8Very high131 Ų13161.3 Ų61.361%0.61233%0.333SS*.G310 helixtrans-65.9-21.6176.7-60.3-56.3139.200112.9N111 L115N111-E113 PolarHBondContact O-N 3.23Å; N111-E113 VanDerWaalsContact O-N 3.08Å; N111-E113 WeakPolarHBondContact OD1-CB 3.4Å; N111-E113 PolarHBondContact OD1-N 2.76Å; E113-L115 VanDerWaalsContact C-N 3.27Å; E113-L115 PolarHBondContact O-N 2.71Å
114N98.6Very high97.7Very high70 Ų7062.4 Ų62.437%0.37433%0.331SS..G310 helixtrans-74.6-17.7177.1-68-15.3000112.6D109 N111 A112 Q116 V347D109-N114 PolarHBondContact OD1-ND2 3.04Å; D109-N114 PolarHBondContact OD2-ND2 3.09Å; N111-N114 PolarHBondContact ND2-OD1 3.06Å; N111-N114 WeakPolarHBondContact O-CB 3.17Å; N111-N114 PolarHBondContact O-N 2.87Å; A112-N114 PolarHBondContact O-N 3.09Å; N114-Q116 PolarHBondContact O-NE2 2.9Å; N114-V347 HydrophobicContact CB-CG1 3.84Å; N114-V347 HydrophobicContact CB-CG2 4Å
115L98.6Very high97.7Very high1 Ų160.9 Ų60.91%0.00532%0.321CS..  trans-65.1137.7174.6-174.568.6000110.1A112 E113 R247 F250 V350 Q351 V354A112-L115 WeakPolarHBondContact O-CB 3.36Å; A112-L115 PolarHBondContact O-N 3.37Å; A112-L115 VanDerWaalsContact O-N 3.17Å; E113-L115 VanDerWaalsContact C-N 3.27Å; E113-L115 PolarHBondContact O-N 2.71Å; L115-R247 HydrophobicContact CD2-CB 4.17Å; L115-R247 HydrophobicContact CD2-CG 4.49Å; L115-R247 VanDerWaalsContact O-CZ 3.27Å; L115-R247 PolarHBondContact O-NH1 2.99Å; L115-R247 PolarHBondContact O-NH2 3.06Å; L115-F250 HydrophobicContact CB-CD1 4.39Å; L115-F250 HydrophobicContact CD2-CB 4.5Å; L115-F250 HydrophobicContact CD2-CD1 4.08Å; L115-V350 HydrophobicContact CD1-CB 4.1Å; L115-V350 HydrophobicContact CD1-CG1 3.69Å; L115-V350 HydrophobicContact CD2-CG1 3.9Å; L115-V350 HydrophobicContact CG-CG1 4.47Å; L115-Q351 HydrophobicContact CD1-CB 4.2Å; L115-V354 HydrophobicContact CD1-CG2 4.43Å
116Q98.5Very high97.7Very high128 Ų12854.8 Ų54.860%0.59830%0.295SS*.  trans-108.9126.7178.1-54.4-58.1-49.800110.6N114 Q351N114-Q116 PolarHBondContact O-NE2 2.9Å; Q116-Q351 PolarHBondContact O-NE2 3.41Å; Q116-Q351 PolarHBondContact O-OE1 3.23Å
117G97.8Very high97.6Very high32 Ų3257.4 Ų57.433%0.3331%0.309SS..SBendtrans61-146.7-171.700000113.7D119 R247G117-D119 VanDerWaalsContact C-N 3.28Å; G117-D119 VanDerWaalsContact C-OD1 3.28Å; G117-D119 PolarHBondContact O-N 3.27Å; G117-R247 PolarHBondContact O-NE 3.27Å; G117-R247 VanDerWaalsContact O-NE 3.09Å; G117-R247 PolarHBondContact O-NH2 3.47Å
118G97.4Very high97.7Very high0 Ų053.7 Ų53.70%030%0.295CS..  trans82.41.3174.700000114.6N245 M246 R247G118-N245 CarbonylContact O-C 3.52Å; G118-M246 WeakPolarHBondContact O-CA 3.24Å; G118-M246 WeakPolarHBondContact O-CB 3.32Å; G118-M246 PolarHBondContact O-N 2.83Å; G118-R247 PolarHBondContact O-N 2.99Å
119D98Very high97.7Very high87 Ų8750.9 Ų50.947%0.46528%0.277SS..SBendtrans-87-9173.550.1-49.3000113.4G117 N245 R247G117-D119 VanDerWaalsContact C-N 3.28Å; G117-D119 VanDerWaalsContact C-OD1 3.28Å; G117-D119 PolarHBondContact O-N 3.27Å; D119-N245 WeakPolarHBondContact CA-OD1 3.28Å; D119-R247 HydrophobicContact CB-CB 4.09Å; D119-R247 IonicContact OD1-NE 3.48Å
120D97.7Very high97.7Very high112 Ų11250.9 Ų50.960%0.59927%0.274SS*.  trans-133.521.6-16768.3-23.5000114.6D122D120-D122 PolarHBondContact O-N 2.9Å
121L98.4Very high97.8Very high6 Ų649.4 Ų49.43%0.03127%0.266CS..  trans-56.3130.8175.2-54.1174.3000109.6S123 V126 G244 M246 V295 V354 V357 N358L121-S123 PolarHBondContact O-N 2.79Å; L121-V126 HydrophobicContact CB-CB 4.44Å; L121-V126 HydrophobicContact CB-CG2 4.04Å; L121-G244 VanDerWaalsContact CB-O 3.25Å; L121-G244 WeakPolarHBondContact CB-O 3.28Å; L121-G244 VanDerWaalsContact CG-O 3.29Å; L121-G244 WeakPolarHBondContact CG-O 3.49Å; L121-G244 PolarHBondContact N-O 3.41Å; L121-G244 WeakPolarHBondContact O-CA 3.44Å; L121-M246 HydrophobicContact CD1-CB 4.03Å; L121-V295 HydrophobicContact CD1-CG1 4.15Å; L121-V354 HydrophobicContact CD2-CG1 4.37Å; L121-V357 HydrophobicContact CD1-CG1 4.3Å; L121-V357 HydrophobicContact CD2-CG1 4.33Å; L121-N358 VanDerWaalsContact CD2-OD1 3.25Å; L121-N358 WeakPolarHBondContact CD2-OD1 3.32Å
122D98.1Very high97.8Very high35 Ų3547.5 Ų47.519%0.18725%0.254CS..  trans-59.4111.4-168.8-169.5-29.4000112.1D120 N124 Y125 V126 V361 K365D120-D122 PolarHBondContact O-N 2.9Å; D122-N124 PolarHBondContact O-N 2.82Å; D122-N124 VanDerWaalsContact OD1-CB 3.27Å; D122-N124 WeakPolarHBondContact OD1-CB 3Å; D122-N124 PolarHBondContact OD1-N 2.8Å; D122-N124 PolarHBondContact OD1-ND2 3.23Å; D122-Y125 HydrophobicContact CB-CD2 4.05Å; D122-Y125 PolarHBondContact O-N 3.21Å; D122-V126 PolarHBondContact O-N 3.02Å; D122-V361 HydrophobicContact CB-CG1 4.06Å; D122-K365 WeakPolarHBondContact OD2-CE 3.08Å; D122-K365 IonicContact OD2-NZ 3.87Å; D122-K365 PolarHBondContact OD2-NZ 2.83Å
123S95.9Very high97.8Very high83 Ų8347.2 Ų47.258%0.5825%0.251SS*.THydrogen-bonded Turntrans-70-9.9-175.257.80000114.3L121 Y125L121-S123 PolarHBondContact O-N 2.79Å; S123-Y125 VanDerWaalsContact C-N 3.26Å
124N96.8Very high97.8Very high115 Ų11541 Ų4162%0.61522%0.222SC*.THydrogen-bonded Turntrans-71.6-25.2169.5-61.1-61.2000112.1D122D122-N124 PolarHBondContact O-N 2.82Å; D122-N124 VanDerWaalsContact OD1-CB 3.27Å; D122-N124 WeakPolarHBondContact OD1-CB 3Å; D122-N124 PolarHBondContact OD1-N 2.8Å; D122-N124 PolarHBondContact OD1-ND2 3.23Å
125Y98Very high97.8Very high27 Ų2737.7 Ų37.711%0.10621%0.205CC..THydrogen-bonded Turntrans-108.1-46.1179.8-59.2-94.3000111.2D122 S123 L127 V297 K298 V361 E364 K365 E368D122-Y125 HydrophobicContact CB-CD2 4.05Å; D122-Y125 PolarHBondContact O-N 3.21Å; S123-Y125 VanDerWaalsContact C-N 3.26Å; Y125-L127 PolarHBondContact O-N 3.24Å; Y125-V297 CarbonylContact O-C 3.58Å; Y125-V297 WeakPolarHBondContact O-CA 3.44Å; Y125-K298 PolarHBondContact O-N 3.07Å; Y125-V361 HydrophobicContact CD2-CG1 3.68Å; Y125-V361 HydrophobicContact CE2-CG1 4.1Å; Y125-V361 HydrophobicContact CG-CG1 3.98Å; Y125-V361 HydrophobicContact CG-CG2 4.24Å; Y125-E364 HydrophobicContact CD1-CB 4.5Å; Y125-E364 HydrophobicContact CD1-CG 3.95Å; Y125-E364 HydrophobicContact CE1-CB 4.28Å; Y125-E364 HydrophobicContact CE1-CG 3.64Å; Y125-K365 HydrophobicContact CE2-CD 4.4Å; Y125-K365 HydrophobicContact CE2-CG 4.09Å; Y125-K365 VanDerWaalsContact OH-CG 3.25Å; Y125-K365 WeakPolarHBondContact OH-CG 3.34Å; Y125-E368 PolarHBondContact OH-OE2 3.48Å
126V98.1Very high97.9Very high0 Ų037.7 Ų37.70%021%0.205CC..EExtended strand (participates in β ladder)trans-85.6106.1-178.9179.30000110.8L121 D122 V295 H296 V297 V357L121-V126 HydrophobicContact CB-CB 4.44Å; L121-V126 HydrophobicContact CB-CG2 4.04Å; D122-V126 PolarHBondContact O-N 3.02Å; V126-V295 HydrophobicContact CG1-CB 3.93Å; V126-V295 HydrophobicContact CG1-CG1 3.79Å; V126-H296 CarbonylContact C-O 3.53Å; V126-V297 HydrophobicContact CG2-CB 4.42Å; V126-V297 HydrophobicContact CG2-CG2 4.11Å; V126-V357 HydrophobicContact CG2-CG1 3.8Å
127L96.3Very high97.9Very high71 Ų7131.6 Ų31.637%0.37218%0.176SC..EExtended strand (participates in β ladder)trans-80.5-33.8-176.3-55-178.4000112.8Y125 G243 H296 K298 V333Y125-L127 PolarHBondContact O-N 3.24Å; L127-G243 PolarHBondContact O-N 2.95Å; L127-H296 HydrophobicContact CB-CB 4.22Å; L127-H296 PolarHBondContact N-O 3.18Å; L127-K298 HydrophobicContact CD1-CG 4.24Å; L127-K298 HydrophobicContact CD2-CD 3.99Å; L127-K298 HydrophobicContact CD2-CG 4.31Å; L127-K298 HydrophobicContact CG-CG 4.35Å; L127-V333 HydrophobicContact CD1-CG1 3.91Å; L127-V333 HydrophobicContact CD1-CG2 4.01Å
128S96.6Very high97.9Very high14 Ų1434.4 Ų34.410%0.09818%0.177CC..EExtended strand (participates in β ladder)trans-159.9150.217854.80000111.2Q241 G243 V295 H296S128-Q241 VanDerWaalsContact CA-O 3.31Å; S128-Q241 WeakPolarHBondContact CA-O 3.37Å; S128-Q241 WeakPolarHBondContact CB-O 3.34Å; S128-G243 CarbonylContact C-O 3.54Å; S128-V295 CarbonylContact O-C 3.58Å; S128-V295 VanDerWaalsContact O-CA 3.23Å; S128-V295 WeakPolarHBondContact O-CA 3.35Å; S128-H296 PolarHBondContact O-N 3.03Å
129S98.2Very high98Very high0 Ų037.7 Ų37.70%021%0.211CC..EExtended strand (participates in β ladder)trans-118.7139.7177.2-60.30000109.7M240 Q241 G243S129-M240 VanDerWaalsContact O-CA 3.28Å; S129-M240 WeakPolarHBondContact O-CA 3.28Å; S129-Q241 PolarHBondContact N-O 3.22Å; S129-Q241 PolarHBondContact O-N 2.89Å; S129-G243 PolarHBondContact N-O 3.37Å; S129-G243 PolarHBondContact OG-O 3.23Å
130R98.3Very high98Very high43 Ų4335.2 Ų35.216%0.16220%0.196CC..EExtended strand (participates in β ladder)trans-149.6135.7-174.3178.7169.9-174.7-66.71.2111.7I238 S239 M240 A293 G294R130-I238 HydrophobicContact CG-CG2 4.13Å; R130-I238 VanDerWaalsContact NH2-CG1 3.3Å; R130-S239 CarbonylContact C-O 3.54Å; R130-S239 WeakPolarHBondContact CA-O 3.32Å; R130-M240 HydrophobicContact CB-CB 3.88Å; R130-M240 HydrophobicContact CG-CB 3.88Å; R130-A293 CarbonylContact O-C 3.52Å; R130-A293 WeakPolarHBondContact O-CA 3.46Å; R130-G294 PolarHBondContact N-O 3.15Å; R130-G294 PolarHBondContact O-N 3.19Å
131V98.6Very high98Very high0 Ų030.4 Ų30.40%017%0.171CC..EExtended strand (participates in β ladder)trans-122.3129.7171-177.20000108.2I238 S239 M246 V249 F250 F253 L291 A293V131-I238 CarbonylContact O-C 3.53Å; V131-I238 WeakPolarHBondContact O-CA 3.4Å; V131-S239 PolarHBondContact N-O 2.98Å; V131-S239 PolarHBondContact O-N 3.47Å; V131-M246 HydrophobicContact CG2-SD 3.66Å; V131-V249 HydrophobicContact CB-CG1 4.22Å; V131-V249 HydrophobicContact CG2-CG1 3.84Å; V131-F250 HydrophobicContact CG1-CD2 4.3Å; V131-F250 HydrophobicContact CG2-CB 4.48Å; V131-F250 HydrophobicContact CG2-CD2 4.39Å; V131-F253 HydrophobicContact CB-CB 4.34Å; V131-F253 HydrophobicContact CB-CD2 4.17Å; V131-F253 HydrophobicContact CB-CG 4.14Å; V131-F253 HydrophobicContact CG1-CB 4.35Å; V131-F253 HydrophobicContact CG1-CD1 3.79Å; V131-F253 HydrophobicContact CG1-CD2 3.78Å; V131-F253 HydrophobicContact CG1-CE1 3.95Å; V131-F253 HydrophobicContact CG1-CE2 3.93Å; V131-F253 HydrophobicContact CG1-CG 3.7Å; V131-F253 HydrophobicContact CG1-CZ 4Å; V131-L291 HydrophobicContact CG1-CD1 3.76Å; V131-L291 HydrophobicContact CG1-CD2 4.49Å; V131-L291 HydrophobicContact CG1-CG 3.97Å; V131-A293 HydrophobicContact CG1-CB 4.5Å; V131-A293 HydrophobicContact CG2-CB 3.96Å
132R97.9Very high98.1Very high36 Ų3630.1 Ų30.114%0.13617%0.17CC..EExtended strand (participates in β ladder)trans-129.6152.5173.973.2-169.9-46.8164.1-22.5111V237 I238 L291 R292R132-V237 CarbonylContact C-O 3.57Å; R132-V237 WeakPolarHBondContact CA-O 2.95Å; R132-I238 HydrophobicContact CB-CG1 3.9Å; R132-L291 CarbonylContact O-C 3.53Å; R132-L291 VanDerWaalsContact O-CA 3.28Å; R132-L291 WeakPolarHBondContact O-CA 3.37Å; R132-R292 HydrophobicContact CG-CB 3.8Å; R132-R292 PolarHBondContact N-O 3.42Å; R132-R292 PolarHBondContact O-N 2.89Å
133T98.6Very high98.1Very high1 Ų128.5 Ų28.51%0.00616%0.161CC..EExtended strand (participates in β ladder)trans-140.1174.8160.8-168.70000110.9R135 R236 V237 F253 L257 T289 G290T133-R135 PolarHBondContact OG1-NH1 3.04Å; T133-R236 CarbonylContact O-C 3.57Å; T133-R236 VanDerWaalsContact O-CA 3.29Å; T133-R236 WeakPolarHBondContact O-CA 3.43Å; T133-R236 WeakPolarHBondContact O-CD 3.1Å; T133-V237 HydrophobicContact CG2-CB 4.37Å; T133-V237 PolarHBondContact N-O 2.59Å; T133-V237 PolarHBondContact O-N 3.07Å; T133-F253 HydrophobicContact CG2-CE2 3.8Å; T133-F253 HydrophobicContact CG2-CZ 3.48Å; T133-F253 VanDerWaalsContact CG2-CZ 3.48Å; T133-L257 HydrophobicContact CG2-CD1 4.22Å; T133-L257 HydrophobicContact CG2-CD2 3.8Å; T133-T289 PolarHBondContact OG1-O 3.39Å; T133-G290 WeakPolarHBondContact CA-O 3.32Å; T133-G290 VanDerWaalsContact OG1-C 3.3Å; T133-G290 WeakPolarHBondContact OG1-CA 3.27Å; T133-G290 PolarHBondContact OG1-O 3.33Å
134G98.4Very high98.2Very high0 Ų024.9 Ų24.90%014%0.136CC..EExtended strand (participates in β ladder)trans-111.3157.1164.700000112.1L235 L281G134-L235 CarbonylContact C-O 3.59Å; G134-L235 WeakPolarHBondContact CA-O 3.22Å; G134-L281 VanDerWaalsContact C-CD2 3.43Å
135R98.8Very high98.3Very high1 Ų121 Ų210%0.00411%0.114CC..EExtended strand (participates in β ladder)trans-137.9138.6166.5-66.7-66.2-178.7-98.811.7109.7T133 L235 L257 F271 Y279 T289T133-R135 PolarHBondContact OG1-NH1 3.04Å; R135-L235 HydrophobicContact CB-CB 4.28Å; R135-L235 HydrophobicContact CB-CD1 4.42Å; R135-L235 PolarHBondContact N-O 3.15Å; R135-L235 PolarHBondContact O-N 2.85Å; R135-L257 HydrophobicContact CG-CD1 4.11Å; R135-F271 HydrophobicContact CB-CD1 3.76Å; R135-F271 HydrophobicContact CB-CD2 4.16Å; R135-F271 HydrophobicContact CB-CE1 3.71Å; R135-F271 HydrophobicContact CB-CE2 4.09Å; R135-F271 HydrophobicContact CB-CG 4Å; R135-F271 HydrophobicContact CB-CZ 3.87Å; R135-F271 HydrophobicContact CG-CD1 4.38Å; R135-F271 HydrophobicContact CG-CD2 3.87Å; R135-F271 HydrophobicContact CG-CE1 4.3Å; R135-F271 HydrophobicContact CG-CE2 3.75Å; R135-F271 HydrophobicContact CG-CG 4.19Å; R135-F271 HydrophobicContact CG-CZ 3.97Å; R135-Y279 VanDerWaalsContact CD-CD1 3.43Å; R135-Y279 VanDerWaalsContact CZ-CD2 3.44Å; R135-Y279 VanDerWaalsContact CZ-CE2 3.46Å; R135-Y279 VanDerWaalsContact NE-CE1 3.29Å; R135-Y279 VanDerWaalsContact NH2-CZ 3.32Å; R135-T289 PolarHBondContact NH1-O 3.25Å
136S98.9Very high98.3Very high1 Ų119.7 Ų19.71%0.00711%0.109CC..  trans-109.6138.2171.4-61.90000109.3L142 F271 M272 V280S136-L142 WeakPolarHBondContact OG-CD2 3.23Å; S136-F271 CarbonylContact O-C 3.58Å; S136-F271 WeakPolarHBondContact O-CA 3.44Å; S136-F271 WeakPolarHBondContact O-CD1 3.16Å; S136-M272 WeakPolarHBondContact CB-SD 3.42Å; S136-M272 PolarHBondContact O-N 3.47Å; S136-V280 VanDerWaalsContact CB-O 3.3Å; S136-V280 WeakPolarHBondContact CB-O 3.29Å; S136-V280 PolarHBondContact OG-O 3.39Å; S136-V280 VanDerWaalsContact OG-O 3.07Å
137I98.8Very high98.3Very high0 Ų022.2 Ų22.20%013%0.126CC..BIsolated β-bridgetrans-89.6121.5-179.5-56.9157.8000107.9F140 I154 H234 F264 H269 F271 M272I137-F140 HydrophobicContact CB-CD2 4.04Å; I137-F140 HydrophobicContact CG2-CD2 3.74Å; I137-F140 HydrophobicContact CG2-CE2 3.79Å; I137-I154 HydrophobicContact CD1-CB 4.34Å; I137-I154 HydrophobicContact CD1-CG1 4.2Å; I137-I154 HydrophobicContact CD1-CG2 3.82Å; I137-H234 HydrophobicContact CD1-CB 4.38Å; I137-H234 HydrophobicContact CG1-CB 4.49Å; I137-H234 PolarHBondContact N-ND1 2.84Å; I137-F264 HydrophobicContact CD1-CD1 4.39Å; I137-F264 HydrophobicContact CD1-CE1 3.49Å; I137-F264 VanDerWaalsContact CD1-CE1 3.49Å; I137-F264 HydrophobicContact CD1-CZ 3.94Å; I137-F264 HydrophobicContact CG1-CD1 4.3Å; I137-F264 HydrophobicContact CG1-CE1 3.83Å; I137-F264 HydrophobicContact CG1-CZ 4.37Å; I137-H269 HydrophobicContact CG2-CB 4.17Å; I137-F271 HydrophobicContact CG1-CD1 4.35Å; I137-F271 HydrophobicContact CG1-CE1 4.23Å; I137-M272 WeakPolarHBondContact O-CE 3.41Å
138R98.7Very high98.4Very high90 Ų9025.3 Ų25.334%0.3413%0.133SC..THydrogen-bonded Turntrans-59.8141.4-178.1175.7170.2-74.3158.4-2.3111.4E79 E270 M272 W273E79-R138 IonicContact OE1-CZ 2.69Å; E79-R138 IonicContact OE1-NE 2.76Å; E79-R138 PolarHBondContact OE1-NE 3.28Å; E79-R138 IonicContact OE1-NH2 3.12Å; E79-R138 PolarHBondContact OE1-NH2 2.94Å; E79-R138 WeakPolarHBondContact OE2-CG 3.33Å; E79-R138 IonicContact OE2-CZ 2.66Å; E79-R138 IonicContact OE2-NE 2.78Å; E79-R138 PolarHBondContact OE2-NE 2.9Å; E79-R138 IonicContact OE2-NH2 3.27Å; R138-E270 WeakPolarHBondContact CB-O 3.26Å; R138-E270 PolarHBondContact N-O 3.5Å; R138-E270 IonicContact NH1-OE2 2.71Å; R138-E270 PolarHBondContact NH1-OE2 2.83Å; R138-M272 HydrophobicContact CB-CG 4.11Å; R138-W273 PolarHBondContact NH2-O 2.75Å
139G98.1Very high98.5Very high70 Ų7026.9 Ų26.972%0.72215%0.151SC*.THydrogen-bonded Turntrans86.84.2179.800000115.3
140F98.8Very high98.6Very high34 Ų3429 Ų2915%0.14916%0.161CC..SBendtrans-119.6141.9170.5-61.3-84.4000110.1I137 E150 A153 I154 L157 M272I137-F140 HydrophobicContact CB-CD2 4.04Å; I137-F140 HydrophobicContact CG2-CD2 3.74Å; I137-F140 HydrophobicContact CG2-CE2 3.79Å; F140-E150 HydrophobicContact CD1-CB 4.03Å; F140-E150 HydrophobicContact CD1-CG 4.16Å; F140-A153 HydrophobicContact CE1-CB 3.62Å; F140-A153 HydrophobicContact CZ-CB 4.11Å; F140-I154 HydrophobicContact CB-CD1 3.8Å; F140-I154 HydrophobicContact CB-CG1 4.12Å; F140-I154 HydrophobicContact CD1-CD1 4.39Å; F140-I154 HydrophobicContact CD1-CG1 4.12Å; F140-I154 HydrophobicContact CD2-CG1 4.1Å; F140-I154 HydrophobicContact CG-CD1 4.07Å; F140-I154 HydrophobicContact CG-CG1 3.85Å; F140-L157 HydrophobicContact CE2-CD1 3.88Å; F140-L157 HydrophobicContact CZ-CD1 3.82Å; F140-M272 WeakPolarHBondContact O-CE 3.5Å
141C98.8Very high98.6Very high12 Ų1227 Ų278%0.08115%0.154CC..  trans-63.2149.5171.5-58.40000110.9S49 G77 H145 C146 E150 H234S49-C141 WeakPolarHBondContact CB-SG 3.46Å; G77-C141 CarbonylContact O-C 3.5Å; G77-C141 WeakPolarHBondContact O-CA 3.43Å; G77-C141 WeakPolarHBondContact O-CB 3.41Å; C141-H145 HydrophobicContact CB-CB 4.25Å; C141-C146 HydrophobicContact CB-CB 4.24Å; C141-C146 VanDerWaalsContact O-CB 3.24Å; C141-C146 WeakPolarHBondContact O-CB 3.49Å; C141-E150 WeakPolarHBondContact CB-OE1 3.31Å; C141-E150 PolarHBondContact N-OE1 3.01Å; C141-E150 PolarHBondContact SG-OE1 2.7Å; C141-H234 PolarHBondContact O-NE2 2.76Å
142L98.9Very high98.6Very high0 Ų032.9 Ų32.90%018%0.176CC..  trans-71.3161.9176.2-61.2174.8000111.4A76 G77 S136 P144 H145 C146 M272A76-L142 HydrophobicContact CB-CD1 3.65Å; A76-L142 WeakPolarHBondContact O-CD1 3.25Å; G77-L142 PolarHBondContact O-N 2.7Å; S136-L142 WeakPolarHBondContact OG-CD2 3.23Å; L142-P144 VanDerWaalsContact C-N 3.32Å; L142-P144 WeakPolarHBondContact O-CD 3.49Å; L142-P144 VanDerWaalsContact O-N 3.08Å; L142-H145 PolarHBondContact O-N 2.89Å; L142-C146 WeakPolarHBondContact O-CB 3.18Å; L142-C146 PolarHBondContact O-N 2.97Å; L142-M272 HydrophobicContact CD2-CE 4.06Å; L142-M272 HydrophobicContact CD2-SD 3.88Å; L142-M272 HydrophobicContact CG-CE 4.49Å
143P98.6Very high98.6Very high1 Ų132.9 Ų32.91%0.00618%0.184CC..THydrogen-bonded Turntrans-50.5-32.8-174.6-30.937.9000117.6H145 M207 R209 T282P143-H145 PolarHBondContact O-N 2.78Å; P143-M207 HydrophobicContact CB-CB 4.32Å; P143-M207 HydrophobicContact CB-CE 4.09Å; P143-M207 HydrophobicContact CB-CG 4.1Å; P143-R209 PolarHBondContact O-NH2 2.85Å; P143-T282 WeakPolarHBondContact CD-OG1 3.46Å
144P98.3Very high98.6Very high7 Ų732.9 Ų32.95%0.04518%0.183CC..THydrogen-bonded Turntrans-56.6-34.5174-28.337.8000113F51 V75 A76 L142 S205 M207 R209 T282F51-P144 HydrophobicContact CE2-CB 4.24Å; F51-P144 HydrophobicContact CZ-CB 4.2Å; V75-P144 HydrophobicContact CB-CG 4.11Å; V75-P144 HydrophobicContact CG2-CB 4.15Å; V75-P144 HydrophobicContact CG2-CG 3.91Å; A76-P144 WeakPolarHBondContact O-CG 3.35Å; L142-P144 VanDerWaalsContact C-N 3.32Å; L142-P144 WeakPolarHBondContact O-CD 3.49Å; L142-P144 VanDerWaalsContact O-N 3.08Å; P144-S205 WeakPolarHBondContact CA-O 3.34Å; P144-S205 WeakPolarHBondContact CB-O 3.38Å; P144-M207 HydrophobicContact CB-CG 4.21Å; P144-M207 HydrophobicContact CG-CG 3.69Å; P144-M207 HydrophobicContact CG-SD 4.02Å; P144-R209 VanDerWaalsContact C-NH2 3.26Å; P144-R209 PolarHBondContact O-NH2 2.84Å; P144-T282 HydrophobicContact CG-CG2 3.4Å; P144-T282 VanDerWaalsContact CG-CG2 3.4Å
145H98.3Very high98.6Very high33 Ų3333.9 Ų33.915%0.15319%0.188CC..THydrogen-bonded Turntrans-118.1-24.1-169.4-162.144.2000114.8S49 F51 C141 L142 P143 S147 R209S49-H145 PolarHBondContact O-NE2 3.02Å; S49-H145 PolarHBondContact OG-CD2 3.12Å; S49-H145 PolarHBondContact OG-NE2 2.86Å; F51-H145 HydrophobicContact CD2-CB 3.6Å; F51-H145 AromaticContact CD2-CD2 3.89Å; F51-H145 AromaticContact CD2-CG 3.48Å; F51-H145 VanDerWaalsContact CD2-CG 3.48Å; F51-H145 AromaticContact CD2-ND1 3.73Å; F51-H145 HydrophobicContact CE2-CB 3.79Å; C141-H145 HydrophobicContact CB-CB 4.25Å; L142-H145 PolarHBondContact O-N 2.89Å; P143-H145 PolarHBondContact O-N 2.78Å; H145-S147 PolarHBondContact O-N 3.42Å; H145-R209 PolarHBondContact O-NH2 3.48Å
146C98.4Very high98.6Very high0 Ų038.5 Ų38.50%021%0.21CC..  trans-50.9133.5-174.480.60000113.1C141 L142 E150 R151 R209C141-C146 HydrophobicContact CB-CB 4.24Å; C141-C146 VanDerWaalsContact O-CB 3.24Å; C141-C146 WeakPolarHBondContact O-CB 3.49Å; L142-C146 WeakPolarHBondContact O-CB 3.18Å; L142-C146 PolarHBondContact O-N 2.97Å; C146-E150 HydrophobicContact CB-CB 4.32Å; C146-R151 PolarHBondContact O-NH2 3.1Å; C146-R151 PolarHBondContact SG-NE 2.88Å; C146-R151 VanDerWaalsContact SG-NE 3.37Å; C146-R151 PolarHBondContact SG-NH2 3.43Å; C146-R209 PolarHBondContact O-NH1 3.24Å; C146-R209 PolarHBondContact O-NH2 3.03Å; C146-R209 VanDerWaalsContact O-NH2 3.12Å
147S98.4Very high98.6Very high52 Ų5239.6 Ų39.636%0.36422%0.215SC..  trans-69.8166.6172.166.50000111.3H145 G149 E150 R151H145-S147 PolarHBondContact O-N 3.42Å; S147-G149 PolarHBondContact O-N 2.92Å; S147-G149 PolarHBondContact OG-N 3.33Å; S147-E150 VanDerWaalsContact CB-OE2 3.31Å; S147-E150 WeakPolarHBondContact CB-OE2 3.32Å; S147-E150 PolarHBondContact N-OE2 3.25Å; S147-E150 PolarHBondContact O-N 3.44Å; S147-E150 WeakPolarHBondContact OG-CG 3.33Å; S147-E150 PolarHBondContact OG-N 3.33Å; S147-E150 VanDerWaalsContact OG-N 3.16Å; S147-E150 PolarHBondContact OG-OE2 3.46Å; S147-R151 WeakPolarHBondContact O-CB 3.19Å; S147-R151 PolarHBondContact O-N 2.98Å
148R98.6Very high98.6Very high136 Ų13639.6 Ų39.651%0.51322%0.215SC..Hα-helixtrans-56.8-35.6169.9-73.3-175.5-70.6-87.5-0.6111.9R152 D210R148-R152 WeakPolarHBondContact O-CB 3.3Å; R148-R152 VanDerWaalsContact O-CD 3.27Å; R148-R152 WeakPolarHBondContact O-CD 3.33Å; R148-R152 WeakPolarHBondContact O-CG 3.28Å; R148-R152 PolarHBondContact O-N 3.45Å; R148-R152 VanDerWaalsContact O-N 3.09Å; R148-D210 WeakPolarHBondContact CD-OD1 3.35Å; R148-D210 HydrophobicContact CG-CB 4.01Å; R148-D210 VanDerWaalsContact CG-OD2 3.27Å; R148-D210 WeakPolarHBondContact CG-OD2 3.44Å; R148-D210 IonicContact CZ-OD1 2.7Å; R148-D210 IonicContact NE-OD1 3.51Å; R148-D210 IonicContact NH1-OD1 3.88Å; R148-D210 PolarHBondContact NH1-OD1 2.93Å
149G98.8Very high98.6Very high47 Ų4736.8 Ų36.849%0.48521%0.207SC..Hα-helixtrans-66.2-51.6179.900000112.1S147 R151 R152 A153S147-G149 PolarHBondContact O-N 2.92Å; S147-G149 PolarHBondContact OG-N 3.33Å; G149-R151 VanDerWaalsContact C-N 3.34Å; G149-R151 PolarHBondContact O-N 3.45Å; G149-R152 PolarHBondContact O-N 3.23Å; G149-A153 PolarHBondContact O-N 2.92Å
150E98.8Very high98.5Very high46 Ų4636.9 Ų36.922%0.21519%0.189CC..Hα-helixtrans-59.7-45.2176.6-70.4164.8102.200111.5F140 C141 C146 S147 R152 A153 I154F140-E150 HydrophobicContact CD1-CB 4.03Å; F140-E150 HydrophobicContact CD1-CG 4.16Å; C141-E150 WeakPolarHBondContact CB-OE1 3.31Å; C141-E150 PolarHBondContact N-OE1 3.01Å; C141-E150 PolarHBondContact SG-OE1 2.7Å; C146-E150 HydrophobicContact CB-CB 4.32Å; S147-E150 VanDerWaalsContact CB-OE2 3.31Å; S147-E150 WeakPolarHBondContact CB-OE2 3.32Å; S147-E150 PolarHBondContact N-OE2 3.25Å; S147-E150 PolarHBondContact O-N 3.44Å; S147-E150 WeakPolarHBondContact OG-CG 3.33Å; S147-E150 PolarHBondContact OG-N 3.33Å; S147-E150 VanDerWaalsContact OG-N 3.16Å; S147-E150 PolarHBondContact OG-OE2 3.46Å; E150-R152 VanDerWaalsContact C-N 3.33Å; E150-R152 PolarHBondContact O-N 2.89Å; E150-A153 WeakPolarHBondContact O-CB 3.4Å; E150-A153 PolarHBondContact O-N 3.43Å; E150-A153 VanDerWaalsContact O-N 3.12Å; E150-I154 WeakPolarHBondContact O-CG1 3.27Å; E150-I154 PolarHBondContact O-N 2.84Å
151R98.8Very high98.4Very high1 Ų135.3 Ų35.30%0.00418%0.182CC..Hα-helixtrans-59.1-43179.2-163.7-176.5-65.51283.5112.6C146 S147 G149 I154 E155 R209 D210 D213 A214 R215 N230C146-R151 PolarHBondContact O-NH2 3.1Å; C146-R151 PolarHBondContact SG-NE 2.88Å; C146-R151 VanDerWaalsContact SG-NE 3.37Å; C146-R151 PolarHBondContact SG-NH2 3.43Å; S147-R151 WeakPolarHBondContact O-CB 3.19Å; S147-R151 PolarHBondContact O-N 2.98Å; G149-R151 VanDerWaalsContact C-N 3.34Å; G149-R151 PolarHBondContact O-N 3.45Å; R151-I154 PolarHBondContact O-N 3.16Å; R151-E155 PolarHBondContact O-N 2.98Å; R151-R209 PolarHBondContact NH1-O 3.05Å; R151-D210 IonicContact CZ-OD2 2.74Å; R151-D210 IonicContact NH1-OD2 3.33Å; R151-D210 PolarHBondContact NH1-OD2 3.47Å; R151-D210 IonicContact NH2-OD2 2.71Å; R151-D213 WeakPolarHBondContact CD-O 3.38Å; R151-A214 HydrophobicContact CB-CB 4.33Å; R151-A214 HydrophobicContact CG-CB 3.84Å; R151-R215 VanDerWaalsContact NE-CZ 3.3Å; R151-N230 HydrophobicContact CG-CB 3.86Å; R151-N230 WeakPolarHBondContact CG-ND2 3.43Å; R151-N230 PolarHBondContact O-ND2 3.3Å
152R98.8Very high98.4Very high122 Ų12234.8 Ų34.846%0.4618%0.178SC..Hα-helixtrans-67.8-36.6175.8-71.3164.2-175-177.9-6.1112.3R148 G149 E150 E155 Q156 D213 A214R148-R152 WeakPolarHBondContact O-CB 3.3Å; R148-R152 VanDerWaalsContact O-CD 3.27Å; R148-R152 WeakPolarHBondContact O-CD 3.33Å; R148-R152 WeakPolarHBondContact O-CG 3.28Å; R148-R152 PolarHBondContact O-N 3.45Å; R148-R152 VanDerWaalsContact O-N 3.09Å; G149-R152 PolarHBondContact O-N 3.23Å; E150-R152 VanDerWaalsContact C-N 3.33Å; E150-R152 PolarHBondContact O-N 2.89Å; R152-E155 PolarHBondContact O-N 2.92Å; R152-Q156 WeakPolarHBondContact O-CB 3.43Å; R152-Q156 PolarHBondContact O-N 3.08Å; R152-D213 IonicContact CZ-OD1 2.71Å; R152-D213 IonicContact CZ-OD2 3.56Å; R152-D213 IonicContact NE-OD1 2.71Å; R152-D213 PolarHBondContact NE-OD1 2.85Å; R152-D213 IonicContact NE-OD2 2.87Å; R152-D213 PolarHBondContact NE-OD2 3.14Å; R152-D213 IonicContact NH2-OD1 3.7Å; R152-D213 PolarHBondContact NH2-OD1 3.31Å; R152-D213 IonicContact NH2-OD2 3.44Å; R152-D213 PolarHBondContact NH2-OD2 3.14Å; R152-A214 HydrophobicContact CB-CB 4.42Å; R152-A214 HydrophobicContact CG-CB 3.76Å
153A98.7Very high98.3Very high37 Ų3739.4 Ų39.431%0.30620%0.203SC..Hα-helixtrans-64.1-44174.700000111.1F140 G149 E150 E155 Q156 L157F140-A153 HydrophobicContact CE1-CB 3.62Å; F140-A153 HydrophobicContact CZ-CB 4.11Å; G149-A153 PolarHBondContact O-N 2.92Å; E150-A153 WeakPolarHBondContact O-CB 3.4Å; E150-A153 PolarHBondContact O-N 3.43Å; E150-A153 VanDerWaalsContact O-N 3.12Å; A153-E155 PolarHBondContact O-N 3.4Å; A153-Q156 PolarHBondContact O-N 2.87Å; A153-L157 VanDerWaalsContact O-CG 3.3Å; A153-L157 WeakPolarHBondContact O-CG 3.13Å; A153-L157 PolarHBondContact O-N 3.16Å
154I98.8Very high98.2Very high0 Ų041.6 Ų41.60%022%0.218CC..Hα-helixtrans-58.5-47.2172.8-70.2157.3000111.1I137 F140 E150 R151 Q156 L157 S158 N230 H234I137-I154 HydrophobicContact CD1-CB 4.34Å; I137-I154 HydrophobicContact CD1-CG1 4.2Å; I137-I154 HydrophobicContact CD1-CG2 3.82Å; F140-I154 HydrophobicContact CB-CD1 3.8Å; F140-I154 HydrophobicContact CB-CG1 4.12Å; F140-I154 HydrophobicContact CD1-CD1 4.39Å; F140-I154 HydrophobicContact CD1-CG1 4.12Å; F140-I154 HydrophobicContact CD2-CG1 4.1Å; F140-I154 HydrophobicContact CG-CD1 4.07Å; F140-I154 HydrophobicContact CG-CG1 3.85Å; E150-I154 WeakPolarHBondContact O-CG1 3.27Å; E150-I154 PolarHBondContact O-N 2.84Å; R151-I154 PolarHBondContact O-N 3.16Å; I154-Q156 PolarHBondContact O-N 2.97Å; I154-L157 PolarHBondContact O-N 3.02Å; I154-S158 VanDerWaalsContact O-CB 3.3Å; I154-S158 WeakPolarHBondContact O-CB 3.08Å; I154-S158 PolarHBondContact O-N 2.95Å; I154-S158 PolarHBondContact O-OG 3.01Å; I154-N230 WeakPolarHBondContact CG2-OD1 3.45Å; I154-H234 HydrophobicContact CG2-CB 3.85Å
155E98.8Very high98.2Very high21 Ų2141.6 Ų41.610%0.09822%0.218CC..Hα-helixtrans-57.2-50.2177.7177.2-179.1-132.500111.1R151 R152 A153 L157 S158 I159 Y173 A214 V229R151-E155 PolarHBondContact O-N 2.98Å; R152-E155 PolarHBondContact O-N 2.92Å; A153-E155 PolarHBondContact O-N 3.4Å; E155-L157 PolarHBondContact O-N 3.41Å; E155-S158 WeakPolarHBondContact O-CB 3.39Å; E155-S158 PolarHBondContact O-N 3.15Å; E155-I159 HydrophobicContact CG-CD1 3.78Å; E155-I159 HydrophobicContact CG-CG1 4.45Å; E155-I159 VanDerWaalsContact O-CG1 3.29Å; E155-I159 WeakPolarHBondContact O-CG1 3.31Å; E155-I159 PolarHBondContact O-N 3.37Å; E155-Y173 HydrophobicContact CG-CE1 4.29Å; E155-Y173 WeakPolarHBondContact CG-OH 3.42Å; E155-Y173 PolarHBondContact OE1-OH 3.33Å; E155-A214 HydrophobicContact CB-CB 4.06Å; E155-A214 VanDerWaalsContact OE2-CA 3.3Å; E155-A214 WeakPolarHBondContact OE2-CA 3.3Å; E155-A214 WeakPolarHBondContact OE2-CB 3.35Å; E155-V229 HydrophobicContact CB-CG1 4.36Å
156Q98.5Very high98.1Very high99 Ų9947.2 Ų47.246%0.46324%0.244SC..Hα-helixtrans-60.2-48.4-179-176.961.136.300112.1R152 A153 I154 S158 I159 E160R152-Q156 WeakPolarHBondContact O-CB 3.43Å; R152-Q156 PolarHBondContact O-N 3.08Å; A153-Q156 PolarHBondContact O-N 2.87Å; I154-Q156 PolarHBondContact O-N 2.97Å; Q156-S158 VanDerWaalsContact C-N 3.27Å; Q156-S158 PolarHBondContact O-N 3.18Å; Q156-I159 PolarHBondContact O-N 3.02Å; Q156-E160 PolarHBondContact NE2-OE1 3.49Å; Q156-E160 WeakPolarHBondContact O-CG 3.44Å; Q156-E160 PolarHBondContact O-N 3.47Å
157L98.2Very high98Very high23 Ų2350.3 Ų50.312%0.1228%0.276CS..Hα-helixtrans-60.4-39.6177.4-70.1172.4000111.8F140 A153 I154 E155 E160 A161 F264 H269F140-L157 HydrophobicContact CE2-CD1 3.88Å; F140-L157 HydrophobicContact CZ-CD1 3.82Å; A153-L157 VanDerWaalsContact O-CG 3.3Å; A153-L157 WeakPolarHBondContact O-CG 3.13Å; A153-L157 PolarHBondContact O-N 3.16Å; I154-L157 PolarHBondContact O-N 3.02Å; E155-L157 PolarHBondContact O-N 3.41Å; L157-E160 PolarHBondContact O-N 3.31Å; L157-A161 WeakPolarHBondContact O-CB 3.36Å; L157-A161 PolarHBondContact O-N 2.81Å; L157-F264 HydrophobicContact CB-CE1 4.09Å; L157-H269 VanDerWaalsContact CD2-NE2 3.34Å; L157-H269 WeakPolarHBondContact CD2-NE2 2.96Å
158S98.4Very high97.9Very high0 Ų051.7 Ų51.70%028%0.279CS..Hα-helixtrans-65.4-45178.5-55.40000111.4I154 E155 Q156 A161 L162 L235I154-S158 VanDerWaalsContact O-CB 3.3Å; I154-S158 WeakPolarHBondContact O-CB 3.08Å; I154-S158 PolarHBondContact O-N 2.95Å; I154-S158 PolarHBondContact O-OG 3.01Å; E155-S158 WeakPolarHBondContact O-CB 3.39Å; E155-S158 PolarHBondContact O-N 3.15Å; Q156-S158 VanDerWaalsContact C-N 3.27Å; Q156-S158 PolarHBondContact O-N 3.18Å; S158-A161 PolarHBondContact O-N 2.81Å; S158-L162 VanDerWaalsContact O-CB 3.28Å; S158-L162 WeakPolarHBondContact O-CB 3.31Å; S158-L162 WeakPolarHBondContact O-CD1 3.34Å; S158-L162 WeakPolarHBondContact O-CG 3.5Å; S158-L162 PolarHBondContact O-N 3.19Å; S158-L235 WeakPolarHBondContact OG-CD2 3.45Å
159I98.1Very high97.9Very high31 Ų3145.6 Ų45.616%0.15926%0.256CS..Hα-helixtrans-59.4-49.5176.2-66.5164.9000110.2E155 Q156 A161 L162 D163 Y173E155-I159 HydrophobicContact CG-CD1 3.78Å; E155-I159 HydrophobicContact CG-CG1 4.45Å; E155-I159 VanDerWaalsContact O-CG1 3.29Å; E155-I159 WeakPolarHBondContact O-CG1 3.31Å; E155-I159 PolarHBondContact O-N 3.37Å; Q156-I159 PolarHBondContact O-N 3.02Å; I159-A161 VanDerWaalsContact C-N 3.32Å; I159-A161 PolarHBondContact O-N 3.25Å; I159-L162 PolarHBondContact O-N 3.32Å; I159-D163 WeakPolarHBondContact CG2-OD2 3.42Å; I159-D163 VanDerWaalsContact O-CB 3.31Å; I159-D163 WeakPolarHBondContact O-CB 3.3Å; I159-D163 PolarHBondContact O-N 2.84Å; I159-Y173 HydrophobicContact CD1-CD1 3.54Å; I159-Y173 HydrophobicContact CD1-CE1 3.55Å; I159-Y173 HydrophobicContact CD1-CG 4.24Å; I159-Y173 HydrophobicContact CG1-CD1 3.58Å; I159-Y173 HydrophobicContact CG1-CD2 4.19Å; I159-Y173 HydrophobicContact CG1-CE1 3.87Å; I159-Y173 HydrophobicContact CG1-CE2 4.46Å; I159-Y173 HydrophobicContact CG1-CG 3.74Å
160E96.8Very high97.9Very high73 Ų7349.3 Ų49.334%0.34126%0.259SS..Hα-helixtrans-61.7-37.2-178.5-71.8174.7-166.100113.5Q156 L157 S164Q156-E160 PolarHBondContact NE2-OE1 3.49Å; Q156-E160 WeakPolarHBondContact O-CG 3.44Å; Q156-E160 PolarHBondContact O-N 3.47Å; L157-E160 PolarHBondContact O-N 3.31Å; E160-S164 PolarHBondContact O-OG 2.82Å
161A97.4Very high97.8Very high0 Ų048 Ų480%026%0.258CS..Hα-helixtrans-68.9-51.3173.500000110.8L157 S158 I159 D163 S164 L263 F264L157-A161 WeakPolarHBondContact O-CB 3.36Å; L157-A161 PolarHBondContact O-N 2.81Å; S158-A161 PolarHBondContact O-N 2.81Å; I159-A161 VanDerWaalsContact C-N 3.32Å; I159-A161 PolarHBondContact O-N 3.25Å; A161-D163 PolarHBondContact O-N 2.81Å; A161-S164 VanDerWaalsContact O-CB 3.31Å; A161-S164 WeakPolarHBondContact O-CB 3.48Å; A161-S164 PolarHBondContact O-N 3.31Å; A161-L263 HydrophobicContact CB-CB 4.15Å; A161-L263 WeakPolarHBondContact O-CD1 3.31Å; A161-F264 HydrophobicContact CB-CD2 4.04Å; A161-F264 HydrophobicContact CB-CE2 3.79Å; A161-F264 HydrophobicContact CB-CZ 4.25Å
162L97.8Very high97.6Very high1 Ų153.6 Ų53.61%0.00528%0.282CS..Hα-helixtrans-69.8-31.9-172.9-63.9167.2000113.2S158 I159 S164 L165 W218 V227 I260S158-L162 VanDerWaalsContact O-CB 3.28Å; S158-L162 WeakPolarHBondContact O-CB 3.31Å; S158-L162 WeakPolarHBondContact O-CD1 3.34Å; S158-L162 WeakPolarHBondContact O-CG 3.5Å; S158-L162 PolarHBondContact O-N 3.19Å; I159-L162 PolarHBondContact O-N 3.32Å; L162-S164 PolarHBondContact O-N 3.5Å; L162-L165 HydrophobicContact CD2-CD1 3.93Å; L162-L165 WeakPolarHBondContact O-CB 3.45Å; L162-L165 PolarHBondContact O-N 3.36Å; L162-L165 VanDerWaalsContact O-N 3.16Å; L162-W218 HydrophobicContact CB-CD2 4.07Å; L162-W218 HydrophobicContact CB-CG 3.84Å; L162-W218 HydrophobicContact CD1-CB 3.72Å; L162-W218 HydrophobicContact CD1-CD2 4.42Å; L162-W218 HydrophobicContact CD1-CG 3.9Å; L162-W218 HydrophobicContact CD2-CD2 4.31Å; L162-W218 HydrophobicContact CD2-CE3 4.39Å; L162-W218 HydrophobicContact CG-CD2 4.5Å; L162-W218 HydrophobicContact CG-CG 4.32Å; L162-W218 PolarHBondContact O-NE1 3.23Å; L162-V227 HydrophobicContact CD1-CB 4.01Å; L162-V227 HydrophobicContact CD1-CG1 4Å; L162-V227 HydrophobicContact CD1-CG2 4.43Å; L162-V227 HydrophobicContact CD2-CB 4.24Å; L162-V227 HydrophobicContact CD2-CG1 4.48Å; L162-V227 HydrophobicContact CD2-CG2 3.75Å; L162-I260 HydrophobicContact CD2-CD1 3.73Å; L162-I260 HydrophobicContact CD2-CG1 3.92Å
163D96.6Very high97.5Very high97 Ų9749.1 Ų49.152%0.51927%0.266SS..THydrogen-bonded Turntrans-67.5-16.1173.4-78.2-5.9000112.7I159 A161 L165I159-D163 WeakPolarHBondContact CG2-OD2 3.42Å; I159-D163 VanDerWaalsContact O-CB 3.31Å; I159-D163 WeakPolarHBondContact O-CB 3.3Å; I159-D163 PolarHBondContact O-N 2.84Å; A161-D163 PolarHBondContact O-N 2.81Å; D163-L165 VanDerWaalsContact C-N 3.32Å
164S97.1Very high97.3Very high47 Ų4750.8 Ų50.833%0.32927%0.265SS..THydrogen-bonded Turntrans-86-2.2175.6-52.60000113E160 A161 L162 R267E160-S164 PolarHBondContact O-OG 2.82Å; A161-S164 VanDerWaalsContact O-CB 3.31Å; A161-S164 WeakPolarHBondContact O-CB 3.48Å; A161-S164 PolarHBondContact O-N 3.31Å; L162-S164 PolarHBondContact O-N 3.5Å; S164-R267 PolarHBondContact OG-NH2 2.92Å
165L97.5Very high97.1Very high8 Ų851.5 Ų51.54%0.04227%0.271CS..  trans-75.9135.2177.1-66.4174000111.2L162 D163 L169 K170 W218 F225 K259 I260 L263L162-L165 HydrophobicContact CD2-CD1 3.93Å; L162-L165 WeakPolarHBondContact O-CB 3.45Å; L162-L165 PolarHBondContact O-N 3.36Å; L162-L165 VanDerWaalsContact O-N 3.16Å; D163-L165 VanDerWaalsContact C-N 3.32Å; L165-L169 HydrophobicContact CB-CB 4.11Å; L165-L169 VanDerWaalsContact CB-O 3.3Å; L165-L169 WeakPolarHBondContact CB-O 3.35Å; L165-L169 HydrophobicContact CD2-CD1 4.48Å; L165-K170 WeakPolarHBondContact O-CA 3.2Å; L165-W218 HydrophobicContact CB-CZ2 4.25Å; L165-W218 HydrophobicContact CD1-CH2 3.63Å; L165-W218 HydrophobicContact CD1-CZ2 3.7Å; L165-W218 HydrophobicContact CD1-CZ3 4.3Å; L165-F225 HydrophobicContact CD1-CE1 4.4Å; L165-K259 HydrophobicContact CD2-CB 3.94Å; L165-K259 HydrophobicContact CD2-CD 4.41Å; L165-I260 HydrophobicContact CD1-CG1 4.21Å; L165-L263 HydrophobicContact CD2-CD1 3.83Å; L165-L263 HydrophobicContact CG-CD1 4.36Å
166E96.9Very high96.8Very high151 Ų15151.1 Ų51.171%0.70627%0.269SS*.  trans-122.9171.5-175.4-60.2-175157.300112.4L169E166-L169 PolarHBondContact O-N 2.79Å
167G97Very high96.5Very high64 Ų6452.4 Ų52.466%0.6627%0.273SS*.G310 helixtrans66.7-136.7178.500000112.3L169 K170G167-L169 PolarHBondContact O-N 2.76Å; G167-L169 VanDerWaalsContact O-N 3.15Å; G167-K170 VanDerWaalsContact O-CB 3.3Å; G167-K170 WeakPolarHBondContact O-CB 2.82Å; G167-K170 PolarHBondContact O-N 3.43Å
168D96.4Very high96.2Very high82 Ų8257.3 Ų57.344%0.43930%0.3SS..G310 helixtrans-62.8-17176.7-175.956.4000113.2N220 N222D168-N220 PolarHBondContact O-ND2 2.86Å; D168-N222 PolarHBondContact OD1-ND2 3.07Å
169L98.1Very high95.7Very high7 Ų758.5 Ų58.54%0.03731%0.305CS..G310 helixtrans-95.32.9176.3-56.8177.9000112.8L165 E166 G167 G171 W218 F225 R252 T255 K259L165-L169 HydrophobicContact CB-CB 4.11Å; L165-L169 VanDerWaalsContact CB-O 3.3Å; L165-L169 WeakPolarHBondContact CB-O 3.35Å; L165-L169 HydrophobicContact CD2-CD1 4.48Å; E166-L169 PolarHBondContact O-N 2.79Å; G167-L169 PolarHBondContact O-N 2.76Å; G167-L169 VanDerWaalsContact O-N 3.15Å; L169-G171 PolarHBondContact O-N 3.48Å; L169-W218 WeakPolarHBondContact O-CH2 3.48Å; L169-W218 WeakPolarHBondContact O-CZ2 3.14Å; L169-F225 HydrophobicContact CD2-CB 4.03Å; L169-F225 HydrophobicContact CD2-CD1 3.74Å; L169-F225 HydrophobicContact CD2-CE1 4.35Å; L169-F225 HydrophobicContact CD2-CG 3.88Å; L169-R252 HydrophobicContact CD2-CG 4.06Å; L169-T255 HydrophobicContact CD1-CG2 4.49Å; L169-K259 HydrophobicContact CD1-CD 3.79Å
170K98.3Very high95.2Very high125 Ų12560 Ų6054%0.54332%0.317SS..  trans-63.4133.6174.5-175.5178.7177.3-178.50109.7L165 G167 N220 D221L165-K170 WeakPolarHBondContact O-CA 3.2Å; G167-K170 VanDerWaalsContact O-CB 3.3Å; G167-K170 WeakPolarHBondContact O-CB 2.82Å; G167-K170 PolarHBondContact O-N 3.43Å; K170-N220 CarbonylContact O-C 3.52Å; K170-N220 WeakPolarHBondContact O-CA 3.11Å; K170-N220 VanDerWaalsContact O-CB 3.31Å; K170-N220 WeakPolarHBondContact O-CB 3.46Å; K170-D221 PolarHBondContact O-N 3.39Å
171G96.1Very high94.5Very high18 Ų1863.7 Ų63.719%0.18633%0.334CS..EExtended strand (participates in β ladder)trans-157.3-167.2-174.500000114.1L169 H219L169-G171 PolarHBondContact O-N 3.48Å; G171-H219 CarbonylContact C-O 3.59Å; G171-H219 WeakPolarHBondContact CA-O 3.31Å
172K95.3Very high93.8Very high119 Ų11970.4 Ų70.452%0.51737%0.365SS..EExtended strand (participates in β ladder)trans-144.1144.8-177.5-179.2176.1175.4-172.30111.1Y174 W218 H219K172-Y174 HydrophobicContact CB-CE2 3.82Å; K172-Y174 HydrophobicContact CD-CE1 4.25Å; K172-Y174 HydrophobicContact CD-CE2 4.31Å; K172-Y174 HydrophobicContact CG-CE2 3.97Å; K172-Y174 VanDerWaalsContact O-CD2 3.28Å; K172-Y174 WeakPolarHBondContact O-CD2 3.48Å; K172-Y174 VanDerWaalsContact O-CE2 3.24Å; K172-Y174 WeakPolarHBondContact O-CE2 3.14Å; K172-W218 WeakPolarHBondContact O-CA 3.5Å; K172-H219 PolarHBondContact N-O 3.17Å; K172-H219 PolarHBondContact O-N 2.77Å
173Y96.3Very high93Very high28 Ų2874.9 Ų74.911%0.1139%0.386CS..EExtended strand (participates in β ladder)trans-87.4140.5170.6-175.8-109000112.6E155 I159 A175 G216 W218 V229E155-Y173 HydrophobicContact CG-CE1 4.29Å; E155-Y173 WeakPolarHBondContact CG-OH 3.42Å; E155-Y173 PolarHBondContact OE1-OH 3.33Å; I159-Y173 HydrophobicContact CD1-CD1 3.54Å; I159-Y173 HydrophobicContact CD1-CE1 3.55Å; I159-Y173 HydrophobicContact CD1-CG 4.24Å; I159-Y173 HydrophobicContact CG1-CD1 3.58Å; I159-Y173 HydrophobicContact CG1-CD2 4.19Å; I159-Y173 HydrophobicContact CG1-CE1 3.87Å; I159-Y173 HydrophobicContact CG1-CE2 4.46Å; I159-Y173 HydrophobicContact CG1-CG 3.74Å; Y173-A175 HydrophobicContact CD1-CB 4.49Å; Y173-A175 HydrophobicContact CE1-CB 3.81Å; Y173-G216 VanDerWaalsContact OH-CA 3.28Å; Y173-G216 WeakPolarHBondContact OH-CA 3.43Å; Y173-G216 PolarHBondContact OH-N 3.2Å; Y173-W218 HydrophobicContact CD2-CB 4.06Å; Y173-V229 HydrophobicContact CD2-CG2 4.49Å; Y173-V229 HydrophobicContact CE2-CB 4.12Å; Y173-V229 HydrophobicContact CE2-CG2 3.83Å
174Y94.1Very high92.3Very high72 Ų7271.7 Ų71.728%0.28237%0.368SS..EExtended strand (participates in β ladder)trans-128102.7178.4-58.2-100.2000108.5K172 G216 I217 H219K172-Y174 HydrophobicContact CB-CE2 3.82Å; K172-Y174 HydrophobicContact CD-CE1 4.25Å; K172-Y174 HydrophobicContact CD-CE2 4.31Å; K172-Y174 HydrophobicContact CG-CE2 3.97Å; K172-Y174 VanDerWaalsContact O-CD2 3.28Å; K172-Y174 WeakPolarHBondContact O-CD2 3.48Å; K172-Y174 VanDerWaalsContact O-CE2 3.24Å; K172-Y174 WeakPolarHBondContact O-CE2 3.14Å; Y174-G216 VanDerWaalsContact O-CA 3.25Å; Y174-G216 WeakPolarHBondContact O-CA 3.34Å; Y174-I217 PolarHBondContact N-O 2.65Å; Y174-I217 PolarHBondContact O-N 3.3Å; Y174-H219 AromaticContact CD2-CD2 4Å; Y174-H219 AromaticContact CD2-NE2 3.79Å; Y174-H219 AromaticContact CE2-CD2 3.77Å; Y174-H219 AromaticContact CE2-CE1 3.64Å; Y174-H219 AromaticContact CE2-NE2 3.22Å; Y174-H219 WeakPolarHBondContact CE2-NE2 3.18Å; Y174-H219 AromaticContact CZ-CE1 3.99Å; Y174-H219 AromaticContact CZ-NE2 3.72Å
175A95.5Very high91.4Very high16 Ų1674 Ų7413%0.13237%0.373CS..EExtended strand (participates in β ladder)trans-69.7131.7175.600000110.2Y173 K177 N178 M179Y173-A175 HydrophobicContact CD1-CB 4.49Å; Y173-A175 HydrophobicContact CE1-CB 3.81Å; A175-K177 VanDerWaalsContact C-N 3.26Å; A175-K177 HydrophobicContact CB-CG 4.17Å; A175-K177 PolarHBondContact O-N 3.04Å; A175-N178 PolarHBondContact O-N 3.04Å; A175-N178 VanDerWaalsContact O-N 3.1Å; A175-M179 PolarHBondContact O-N 3.1Å
176L93.3Very high90.6Very high13 Ų1378.5 Ų78.57%0.06839%0.394CS..G310 helixtrans-58.6-38-178.4-77.4-167.8000112.8N178 M179 L193 F194 W211 P212 R215L176-N178 PolarHBondContact O-N 2.69Å; L176-N178 VanDerWaalsContact O-N 3.08Å; L176-M179 HydrophobicContact CD2-CE 4.2Å; L176-M179 HydrophobicContact CD2-SD 4.18Å; L176-M179 WeakPolarHBondContact O-CB 3.38Å; L176-M179 PolarHBondContact O-N 3.3Å; L176-M179 VanDerWaalsContact O-N 3.17Å; L176-L193 HydrophobicContact CD2-CD1 4.01Å; L176-L193 HydrophobicContact CD2-CD2 3.97Å; L176-L193 HydrophobicContact CD2-CG 4.46Å; L176-F194 HydrophobicContact CD1-CE2 3.53Å; L176-F194 HydrophobicContact CD1-CZ 3.73Å; L176-F194 HydrophobicContact CG-CE2 4.45Å; L176-F194 HydrophobicContact CG-CZ 4.2Å; L176-W211 HydrophobicContact CD1-CH2 3.85Å; L176-W211 HydrophobicContact CD1-CZ2 3.49Å; L176-W211 VanDerWaalsContact CD1-CZ2 3.49Å; L176-P212 HydrophobicContact CB-CB 3.91Å; L176-P212 HydrophobicContact CD1-CB 4.39Å; L176-R215 WeakPolarHBondContact CB-O 3.47Å; L176-R215 HydrophobicContact CD1-CB 3.81Å; L176-R215 HydrophobicContact CG-CB 4.23Å; L176-R215 PolarHBondContact N-O 2.96Å
177K91.6Very high89.9Confident125 Ų12572 Ų7254%0.54336%0.364SS..G310 helixtrans-60.3-19.2-179.865.2176-176.1-1670114.4A175 P212A175-K177 VanDerWaalsContact C-N 3.26Å; A175-K177 HydrophobicContact CB-CG 4.17Å; A175-K177 PolarHBondContact O-N 3.04Å; K177-P212 HydrophobicContact CB-CG 4.2Å
178N91.3Very high89Confident126 Ų12670.5 Ų70.567%0.67434%0.341SS*.G310 helixtrans-110.7-0.3-176.7-64.3-18.5000112.6A175 L176A175-N178 PolarHBondContact O-N 3.04Å; A175-N178 VanDerWaalsContact O-N 3.1Å; L176-N178 PolarHBondContact O-N 2.69Å; L176-N178 VanDerWaalsContact O-N 3.08Å
179M89.3Confident88Confident25 Ų2570.9 Ų70.912%0.12334%0.343CS..  trans-82.7136.2-176.9-166.1174.4-75.100109.6A175 L176 E183 Q184 L187 L193 I217A175-M179 PolarHBondContact O-N 3.1Å; L176-M179 HydrophobicContact CD2-CE 4.2Å; L176-M179 HydrophobicContact CD2-SD 4.18Å; L176-M179 WeakPolarHBondContact O-CB 3.38Å; L176-M179 PolarHBondContact O-N 3.3Å; L176-M179 VanDerWaalsContact O-N 3.17Å; M179-E183 HydrophobicContact CG-CB 3.58Å; M179-Q184 HydrophobicContact CG-CB 4.1Å; M179-Q184 WeakPolarHBondContact SD-CA 3.4Å; M179-Q184 HydrophobicContact SD-CB 3.77Å; M179-Q184 HydrophobicContact SD-CG 4.27Å; M179-L187 HydrophobicContact CE-CD1 3.57Å; M179-L187 HydrophobicContact SD-CD1 3.85Å; M179-L193 HydrophobicContact SD-CD2 3.98Å; M179-I217 HydrophobicContact CE-CG2 3.93Å
180T86.9Confident86.9Confident64 Ų6472.9 Ų72.939%0.39335%0.354SS..  trans-70.9161.1171.984.40000110.5E182 E183 Q184T180-E182 WeakPolarHBondContact CB-OE2 3.23Å; T180-E182 PolarHBondContact O-N 3.22Å; T180-E182 PolarHBondContact OG1-N 3.08Å; T180-E182 PolarHBondContact OG1-OE2 2.76Å; T180-E183 PolarHBondContact N-OE2 3.48Å; T180-E183 PolarHBondContact O-N 2.87Å; T180-E183 PolarHBondContact OG1-N 3.03Å; T180-Q184 WeakPolarHBondContact O-CB 3.43Å; T180-Q184 PolarHBondContact O-N 3.16Å
181E82.1Confident86Confident150 Ų15071.2 Ų71.270%0.70135%0.348SS*.Hα-helixtrans-61.9-35.1176.5-66.6-167.4155.800111.5Q184 Q185E181-Q184 PolarHBondContact O-N 2.97Å; E181-Q185 WeakPolarHBondContact O-CB 3.12Å; E181-Q185 PolarHBondContact O-N 3.43Å
182E81.8Confident85.4Confident140 Ų14071.8 Ų71.865%0.65435%0.345SS*.Hα-helixtrans-68.1-43.3176.4-57.581.5-17700112.5T180 Q184 Q185 Q186T180-E182 WeakPolarHBondContact CB-OE2 3.23Å; T180-E182 PolarHBondContact O-N 3.22Å; T180-E182 PolarHBondContact OG1-N 3.08Å; T180-E182 PolarHBondContact OG1-OE2 2.76Å; E182-Q184 VanDerWaalsContact C-N 3.33Å; E182-Q185 PolarHBondContact O-N 2.61Å; E182-Q186 WeakPolarHBondContact O-CB 3.45Å; E182-Q186 PolarHBondContact O-N 3.41Å
183E82.3Confident84.7Confident96 Ų9666.5 Ų66.545%0.44932%0.322SS..Hα-helixtrans-62.8-42.9175.1-71.6177.614600111.1M179 T180 Q186 L187M179-E183 HydrophobicContact CG-CB 3.58Å; T180-E183 PolarHBondContact N-OE2 3.48Å; T180-E183 PolarHBondContact O-N 2.87Å; T180-E183 PolarHBondContact OG1-N 3.03Å; E183-Q186 PolarHBondContact O-N 3Å; E183-L187 WeakPolarHBondContact O-CG 3.04Å; E183-L187 PolarHBondContact O-N 3.15Å; E183-L187 VanDerWaalsContact O-N 3.08Å
184Q81.9Confident83.9Confident29 Ų2965.5 Ų65.514%0.13632%0.319CS..Hα-helixtrans-61.2-49.5177-175.6169.936.300110.9M179 T180 E181 E182 L187 I188 L193M179-Q184 HydrophobicContact CG-CB 4.1Å; M179-Q184 WeakPolarHBondContact SD-CA 3.4Å; M179-Q184 HydrophobicContact SD-CB 3.77Å; M179-Q184 HydrophobicContact SD-CG 4.27Å; T180-Q184 WeakPolarHBondContact O-CB 3.43Å; T180-Q184 PolarHBondContact O-N 3.16Å; E181-Q184 PolarHBondContact O-N 2.97Å; E182-Q184 VanDerWaalsContact C-N 3.33Å; Q184-L187 PolarHBondContact O-N 2.91Å; Q184-I188 HydrophobicContact CG-CD1 4.05Å; Q184-I188 VanDerWaalsContact O-CG1 3.31Å; Q184-I188 WeakPolarHBondContact O-CG1 3.35Å; Q184-I188 PolarHBondContact O-N 2.65Å; Q184-L193 HydrophobicContact CB-CD2 4.44Å; Q184-L193 HydrophobicContact CG-CD2 3.63Å
185Q78.3Confident82.8Confident96 Ų9666.5 Ų66.545%0.44933%0.329SS..Hα-helixtrans-64.6-41.2-179.7-169.460.654.600111.6E181 E182 L187 I188 D189E181-Q185 WeakPolarHBondContact O-CB 3.12Å; E181-Q185 PolarHBondContact O-N 3.43Å; E182-Q185 PolarHBondContact O-N 2.61Å; Q185-L187 VanDerWaalsContact C-N 3.33Å; Q185-L187 PolarHBondContact O-N 2.82Å; Q185-I188 WeakPolarHBondContact O-CB 3.47Å; Q185-I188 PolarHBondContact O-N 3.48Å; Q185-I188 VanDerWaalsContact O-N 3.15Å; Q185-D189 PolarHBondContact NE2-OD1 2.84Å; Q185-D189 WeakPolarHBondContact O-CB 3.4Å; Q185-D189 PolarHBondContact O-N 2.87Å
186Q79.1Confident81.9Confident102 Ų10271.2 Ų71.248%0.47735%0.346SS..Hα-helixtrans-62-41177.6-174.364.362.900111.9E182 E183 I188 D189 D190E182-Q186 WeakPolarHBondContact O-CB 3.45Å; E182-Q186 PolarHBondContact O-N 3.41Å; E183-Q186 PolarHBondContact O-N 3Å; Q186-I188 VanDerWaalsContact C-N 3.33Å; Q186-D189 PolarHBondContact O-N 3Å; Q186-D190 PolarHBondContact NE2-OD1 3.03Å; Q186-D190 WeakPolarHBondContact O-CB 3.42Å; Q186-D190 PolarHBondContact O-N 3.12Å
187L83.5Confident81.3Confident14 Ų1471.6 Ų71.67%0.07335%0.35CS..Hα-helixtrans-70-30.2176.8-66.9170.3000112.4M179 E183 Q184 Q185 H191 F192 L193 I217M179-L187 HydrophobicContact CE-CD1 3.57Å; M179-L187 HydrophobicContact SD-CD1 3.85Å; E183-L187 WeakPolarHBondContact O-CG 3.04Å; E183-L187 PolarHBondContact O-N 3.15Å; E183-L187 VanDerWaalsContact O-N 3.08Å; Q184-L187 PolarHBondContact O-N 2.91Å; Q185-L187 VanDerWaalsContact C-N 3.33Å; Q185-L187 PolarHBondContact O-N 2.82Å; L187-H191 PolarHBondContact O-N 3.46Å; L187-F192 HydrophobicContact CB-CB 4.48Å; L187-F192 HydrophobicContact CD2-CB 4.2Å; L187-F192 HydrophobicContact CD2-CD2 4.17Å; L187-F192 WeakPolarHBondContact O-CA 3.35Å; L187-F192 WeakPolarHBondContact O-CB 3.41Å; L187-F192 PolarHBondContact O-N 3Å; L187-L193 HydrophobicContact CB-CB 3.69Å; L187-L193 HydrophobicContact CB-CD2 4.31Å; L187-L193 PolarHBondContact O-N 2.89Å; L187-I217 HydrophobicContact CD1-CG2 4.2Å
188I77.6Confident81Confident33 Ų3370.7 Ų70.717%0.16936%0.355CS..Hα-helixtrans-66.9-48.4171.2-69.2167.4000110.1Q184 Q185 Q186 D190 H191 L193Q184-I188 HydrophobicContact CG-CD1 4.05Å; Q184-I188 VanDerWaalsContact O-CG1 3.31Å; Q184-I188 WeakPolarHBondContact O-CG1 3.35Å; Q184-I188 PolarHBondContact O-N 2.65Å; Q185-I188 WeakPolarHBondContact O-CB 3.47Å; Q185-I188 PolarHBondContact O-N 3.48Å; Q185-I188 VanDerWaalsContact O-N 3.15Å; Q186-I188 VanDerWaalsContact C-N 3.33Å; I188-D190 VanDerWaalsContact C-N 3.28Å; I188-D190 PolarHBondContact O-N 2.97Å; I188-H191 WeakPolarHBondContact O-CA 3.4Å; I188-H191 PolarHBondContact O-N 3.09Å; I188-L193 HydrophobicContact CG1-CB 4.03Å; I188-L193 HydrophobicContact CG1-CD2 4.26Å
189D75.1Confident80.7Confident91 Ų9165.6 Ų65.649%0.48733%0.329SS..Hα-helixtrans-63.5-34.8-179.1-67.6-11.5000111.9Q185 Q186 H191Q185-D189 PolarHBondContact NE2-OD1 2.84Å; Q185-D189 WeakPolarHBondContact O-CB 3.4Å; Q185-D189 PolarHBondContact O-N 2.87Å; Q186-D189 PolarHBondContact O-N 3Å; D189-H191 PolarHBondContact O-N 3.21Å
190D75.7Confident80.7Confident49 Ų4967 Ų6726%0.26234%0.34SS..THydrogen-bonded Turntrans-74.4-3.7173.7-68.8-11000113.2Q186 I188 F192 K223Q186-D190 PolarHBondContact NE2-OD1 3.03Å; Q186-D190 WeakPolarHBondContact O-CB 3.42Å; Q186-D190 PolarHBondContact O-N 3.12Å; I188-D190 VanDerWaalsContact C-N 3.28Å; I188-D190 PolarHBondContact O-N 2.97Å; D190-F192 VanDerWaalsContact C-N 3.28Å; D190-F192 HydrophobicContact CB-CD2 3.22Å; D190-F192 HydrophobicContact CB-CE2 3.34Å; D190-F192 HydrophobicContact CB-CG 3.91Å; D190-F192 HydrophobicContact CB-CZ 4.14Å; D190-F192 PolarHBondContact O-N 2.98Å; D190-K223 IonicContact OD2-NZ 3.87Å; D190-K223 PolarHBondContact OD2-NZ 3.08Å
191H78.1Confident80.8Confident90 Ų9066.2 Ų66.242%0.41733%0.333SS..THydrogen-bonded Turntrans6228.5-172.7-51.6-66.6000114.7L187 I188 D189L187-H191 PolarHBondContact O-N 3.46Å; I188-H191 WeakPolarHBondContact O-CA 3.4Å; I188-H191 PolarHBondContact O-N 3.09Å; D189-H191 PolarHBondContact O-N 3.21Å
192F84Confident81.2Confident29 Ų2960.1 Ų60.113%0.12731%0.305CS..  trans-97.5-35.4-179.3-63.9-34.2000113.6L187 D190 I217 K223 L226 W228 M240L187-F192 HydrophobicContact CB-CB 4.48Å; L187-F192 HydrophobicContact CD2-CB 4.2Å; L187-F192 HydrophobicContact CD2-CD2 4.17Å; L187-F192 WeakPolarHBondContact O-CA 3.35Å; L187-F192 WeakPolarHBondContact O-CB 3.41Å; L187-F192 PolarHBondContact O-N 3Å; D190-F192 VanDerWaalsContact C-N 3.28Å; D190-F192 HydrophobicContact CB-CD2 3.22Å; D190-F192 HydrophobicContact CB-CE2 3.34Å; D190-F192 HydrophobicContact CB-CG 3.91Å; D190-F192 HydrophobicContact CB-CZ 4.14Å; D190-F192 PolarHBondContact O-N 2.98Å; F192-I217 HydrophobicContact CB-CD1 4.43Å; F192-I217 WeakPolarHBondContact O-CD1 3.35Å; F192-K223 HydrophobicContact CD2-CB 4.42Å; F192-K223 HydrophobicContact CD2-CD 3.68Å; F192-K223 HydrophobicContact CE1-CB 4.31Å; F192-K223 HydrophobicContact CE2-CB 3.8Å; F192-K223 HydrophobicContact CE2-CD 3.22Å; F192-K223 HydrophobicContact CE2-CG 4.17Å; F192-K223 HydrophobicContact CZ-CB 3.73Å; F192-K223 HydrophobicContact CZ-CD 4.01Å; F192-L226 HydrophobicContact CB-CD2 3.57Å; F192-L226 HydrophobicContact CD1-CD1 4.34Å; F192-L226 HydrophobicContact CD1-CD2 3.63Å; F192-L226 HydrophobicContact CG-CD2 3.73Å; F192-W228 WeakPolarHBondContact O-CZ2 3.4Å; F192-W228 PolarHBondContact O-NE1 3.37Å; F192-M240 HydrophobicContact CD1-CE 4.13Å; F192-M240 HydrophobicContact CD1-SD 3.86Å; F192-M240 HydrophobicContact CE1-CE 3.89Å; F192-M240 HydrophobicContact CE1-CG 4.39Å; F192-M240 HydrophobicContact CE1-SD 3.93Å
193L81Confident81.8Confident9 Ų956.6 Ų56.65%0.04729%0.29CS..SBendtrans-93.7153-179.9-159.460.1000111.8L176 M179 Q184 L187 I188 I217L176-L193 HydrophobicContact CD2-CD1 4.01Å; L176-L193 HydrophobicContact CD2-CD2 3.97Å; L176-L193 HydrophobicContact CD2-CG 4.46Å; M179-L193 HydrophobicContact SD-CD2 3.98Å; Q184-L193 HydrophobicContact CB-CD2 4.44Å; Q184-L193 HydrophobicContact CG-CD2 3.63Å; L187-L193 HydrophobicContact CB-CB 3.69Å; L187-L193 HydrophobicContact CB-CD2 4.31Å; L187-L193 PolarHBondContact O-N 2.89Å; I188-L193 HydrophobicContact CG1-CB 4.03Å; I188-L193 HydrophobicContact CG1-CD2 4.26Å; L193-I217 HydrophobicContact CD1-CB 3.8Å; L193-I217 HydrophobicContact CD1-CD1 3.98Å; L193-I217 HydrophobicContact CD1-CG2 3.69Å
194F79.3Confident82.4Confident6 Ų652.3 Ų52.33%0.02627%0.271CS..PPolyproline II helixtrans-75.8147.4166.146-84.8000110.7L176 W211 R215 W228 E231L176-F194 HydrophobicContact CD1-CE2 3.53Å; L176-F194 HydrophobicContact CD1-CZ 3.73Å; L176-F194 HydrophobicContact CG-CE2 4.45Å; L176-F194 HydrophobicContact CG-CZ 4.2Å; F194-W211 AromaticContact CD2-CH2 3.6Å; F194-W211 HydrophobicContact CD2-CH2 3.6Å; F194-W211 HydrophobicContact CD2-CZ2 4.45Å; F194-W211 HydrophobicContact CD2-CZ3 4.4Å; F194-W211 AromaticContact CE2-CH2 3.3Å; F194-W211 HydrophobicContact CE2-CH2 3.3Å; F194-W211 HydrophobicContact CE2-CZ2 4.12Å; F194-W211 AromaticContact CE2-CZ3 3.94Å; F194-W211 HydrophobicContact CE2-CZ3 3.94Å; F194-R215 HydrophobicContact CZ-CB 4.35Å; F194-W228 HydrophobicContact CB-CD2 4.09Å; F194-W228 HydrophobicContact CB-CE3 3.76Å; F194-W228 HydrophobicContact CB-CH2 3.79Å; F194-W228 HydrophobicContact CB-CZ2 4.13Å; F194-W228 HydrophobicContact CB-CZ3 3.59Å; F194-W228 HydrophobicContact CD1-CB 3.75Å; F194-W228 AromaticContact CD1-CD1 3.8Å; F194-W228 AromaticContact CD1-CD2 3.48Å; F194-W228 HydrophobicContact CD1-CD2 3.48Å; F194-W228 VanDerWaalsContact CD1-CD2 3.48Å; F194-W228 AromaticContact CD1-CE2 3.87Å; F194-W228 AromaticContact CD1-CE3 3.88Å; F194-W228 HydrophobicContact CD1-CE3 3.88Å; F194-W228 AromaticContact CD1-CG 3.44Å; F194-W228 HydrophobicContact CD1-CG 3.44Å; F194-W228 VanDerWaalsContact CD1-CG 3.44Å; F194-W228 HydrophobicContact CE1-CB 3.72Å; F194-W228 HydrophobicContact CE1-CD2 4.35Å; F194-W228 AromaticContact CE1-CG 3.84Å; F194-W228 HydrophobicContact CE1-CG 3.84Å; F194-W228 HydrophobicContact CG-CD2 4.23Å; F194-W228 HydrophobicContact CG-CE3 4.2Å; F194-E231 HydrophobicContact CB-CG 3.96Å; F194-E231 HydrophobicContact CD1-CB 4.42Å; F194-E231 HydrophobicContact CD1-CG 4.36Å; F194-E231 HydrophobicContact CD2-CB 4.12Å; F194-E231 HydrophobicContact CD2-CG 3.48Å; F194-E231 VanDerWaalsContact CD2-CG 3.48Å; F194-E231 HydrophobicContact CE1-CB 4.48Å; F194-E231 HydrophobicContact CE2-CB 4.12Å; F194-E231 HydrophobicContact CE2-CG 3.91Å; F194-E231 HydrophobicContact CG-CB 4.23Å; F194-E231 HydrophobicContact CG-CG 3.7Å; F194-E231 HydrophobicContact CZ-CB 4.32Å
195D71Confident83.1Confident93 Ų9351.2 Ų51.250%0.49727%0.267SS..PPolyproline II helixtrans-65.8163177.7-66.6-39.8000111.6
196K76.7Confident83.9Confident115 Ų11546.7 Ų46.750%0.525%0.246SC..PPolyproline II helixtrans-53.8143.8163.5-69.6-178.3-178.8176.10108.2V198K196-V198 VanDerWaalsContact C-N 3.26Å; K196-V198 HydrophobicContact CB-CG1 4.4Å; K196-V198 PolarHBondContact O-N 3.05Å
197P81.1Confident84.8Confident22 Ų2242.3 Ų42.314%0.14323%0.226CC..SBendtrans-70.984.5-174.629.9-35.7000109.8L202 L203 A208 W211P197-L202 HydrophobicContact CB-CD1 4.49Å; P197-L203 WeakPolarHBondContact O-CD2 3.44Å; P197-A208 HydrophobicContact CB-CB 3.88Å; P197-A208 HydrophobicContact CG-CB 3.96Å; P197-W211 HydrophobicContact CB-CZ3 4.43Å; P197-W211 HydrophobicContact CG-CD2 3.75Å; P197-W211 HydrophobicContact CG-CE3 3.73Å; P197-W211 HydrophobicContact CG-CG 4.14Å; P197-W211 HydrophobicContact CG-CH2 4.28Å; P197-W211 HydrophobicContact CG-CZ2 4.44Å; P197-W211 HydrophobicContact CG-CZ3 4Å
198V84.1Confident85.4Confident106 Ų10642.7 Ų42.764%0.64223%0.231SC*.  trans-105.1-13178.8-630000111.8K196K196-V198 VanDerWaalsContact C-N 3.26Å; K196-V198 HydrophobicContact CB-CG1 4.4Å; K196-V198 PolarHBondContact O-N 3.05Å
199S86.4Confident86.2Confident19 Ų1943.3 Ų43.313%0.13323%0.231CC..  trans-61126.2177.6179.50000109.6L201 L202 L203S199-L201 PolarHBondContact O-N 3.11Å; S199-L201 PolarHBondContact OG-N 3.02Å; S199-L202 PolarHBondContact O-N 2.81Å; S199-L202 VanDerWaalsContact O-N 3.15Å; S199-L203 WeakPolarHBondContact O-CG 3.47Å; S199-L203 PolarHBondContact O-N 2.79Å; S199-L203 VanDerWaalsContact O-N 3.08Å
200P88.3Confident87.3Confident55 Ų5541.4 Ų41.436%0.35722%0.221SC..Hα-helixtrans-66-22.9-179.931.5-38000111.5N63 A204N63-P200 PolarHBondContact ND2-O 3.21Å; N63-P200 WeakPolarHBondContact OD1-CB 3.17Å; P200-A204 WeakPolarHBondContact O-CB 3.21Å; P200-A204 PolarHBondContact O-N 3.09Å
201L89Confident88.2Confident47 Ų4742.4 Ų42.425%0.24622%0.221CC..Hα-helixtrans-66-45.7173.9-58.4178.7000111.8T59 N63 T71 S199 S205T59-L201 PolarHBondContact OG1-O 2.95Å; N63-L201 HydrophobicContact CB-CD2 4.04Å; T71-L201 HydrophobicContact CG2-CD1 3.91Å; T71-L201 HydrophobicContact CG2-CD2 4.16Å; S199-L201 PolarHBondContact O-N 3.11Å; S199-L201 PolarHBondContact OG-N 3.02Å; L201-S205 WeakPolarHBondContact O-CB 3.44Å; L201-S205 PolarHBondContact O-N 3.37Å; L201-S205 PolarHBondContact O-OG 3.14Å
202L90.9Very high89Confident22 Ų2240.4 Ų40.412%0.11522%0.216CC..Hα-helixtrans-68.7-37.7178.1-64.8178.1000112.2P197 S199 S205 G206 M207 E231 E232P197-L202 HydrophobicContact CB-CD1 4.49Å; S199-L202 PolarHBondContact O-N 2.81Å; S199-L202 VanDerWaalsContact O-N 3.15Å; L202-S205 PolarHBondContact O-OG 2.99Å; L202-S205 VanDerWaalsContact O-OG 3.09Å; L202-G206 PolarHBondContact O-N 3.38Å; L202-M207 HydrophobicContact CD2-CB 4.4Å; L202-M207 HydrophobicContact CD2-CE 3.5Å; L202-M207 VanDerWaalsContact CD2-CE 3.5Å; L202-M207 HydrophobicContact CD2-SD 3.72Å; L202-M207 PolarHBondContact O-N 2.94Å; L202-E231 WeakPolarHBondContact CD1-OE1 3.46Å; L202-E232 HydrophobicContact CD2-CB 4.3Å; L202-E232 HydrophobicContact CD2-CG 3.98Å
203L94.2Very high89.6Confident65 Ų6540.7 Ų40.734%0.3422%0.219SC..Hα-helixtrans-70.4-45.6179.8-69172.4000111.3P197 S199 S205 G206 A208P197-L203 WeakPolarHBondContact O-CD2 3.44Å; S199-L203 WeakPolarHBondContact O-CG 3.47Å; S199-L203 PolarHBondContact O-N 2.79Å; S199-L203 VanDerWaalsContact O-N 3.08Å; L203-S205 PolarHBondContact O-N 3.35Å; L203-G206 PolarHBondContact O-N 2.97Å; L203-A208 HydrophobicContact CD2-CB 3.65Å
204A95.3Very high90.4Very high7 Ų740.3 Ų40.36%0.05822%0.217CC..Hα-helixtrans-68.8-32.3-178.300000113D62 N63 P200 G206D62-A204 HydrophobicContact CB-CB 3.8Å; N63-A204 WeakPolarHBondContact ND2-CB 3.29Å; P200-A204 WeakPolarHBondContact O-CB 3.21Å; P200-A204 PolarHBondContact O-N 3.09Å; A204-G206 VanDerWaalsContact C-N 3.29Å; A204-G206 PolarHBondContact O-N 2.91Å
205S96.2Very high91.3Very high6 Ų640.1 Ų40.14%0.04222%0.216CC..THydrogen-bonded Turntrans-79.8-4.8174.460.50000114.1P144 L201 L202 L203 M207P144-S205 WeakPolarHBondContact CA-O 3.34Å; P144-S205 WeakPolarHBondContact CB-O 3.38Å; L201-S205 WeakPolarHBondContact O-CB 3.44Å; L201-S205 PolarHBondContact O-N 3.37Å; L201-S205 PolarHBondContact O-OG 3.14Å; L202-S205 PolarHBondContact O-OG 2.99Å; L202-S205 VanDerWaalsContact O-OG 3.09Å; L203-S205 PolarHBondContact O-N 3.35Å; S205-M207 VanDerWaalsContact C-N 3.33Å; S205-M207 PolarHBondContact O-N 3.22Å; S205-M207 WeakPolarHBondContact OG-CG 3.3Å; S205-M207 PolarHBondContact OG-SD 3.07Å
206G96.2Very high92.5Very high1 Ų135.7 Ų35.71%0.0119%0.193CC..THydrogen-bonded Turntrans79.110.6177.900000115.7L202 L203 A204 A208 R209L202-G206 PolarHBondContact O-N 3.38Å; L203-G206 PolarHBondContact O-N 2.97Å; A204-G206 VanDerWaalsContact C-N 3.29Å; A204-G206 PolarHBondContact O-N 2.91Å; G206-A208 PolarHBondContact O-N 2.81Å; G206-R209 WeakPolarHBondContact O-CG 3.32Å; G206-R209 PolarHBondContact O-N 3.43Å; G206-R209 PolarHBondContact O-NE 2.85Å
207M96.7Very high93.5Very high10 Ų1030.2 Ų30.25%0.04917%0.169CC..THydrogen-bonded Turntrans-68.5-23.5-178.1-63.4164.170.100112.3P143 P144 L202 S205 R209 R215 E232 T282P143-M207 HydrophobicContact CB-CB 4.32Å; P143-M207 HydrophobicContact CB-CE 4.09Å; P143-M207 HydrophobicContact CB-CG 4.1Å; P144-M207 HydrophobicContact CB-CG 4.21Å; P144-M207 HydrophobicContact CG-CG 3.69Å; P144-M207 HydrophobicContact CG-SD 4.02Å; L202-M207 HydrophobicContact CD2-CB 4.4Å; L202-M207 HydrophobicContact CD2-CE 3.5Å; L202-M207 VanDerWaalsContact CD2-CE 3.5Å; L202-M207 HydrophobicContact CD2-SD 3.72Å; L202-M207 PolarHBondContact O-N 2.94Å; S205-M207 VanDerWaalsContact C-N 3.33Å; S205-M207 PolarHBondContact O-N 3.22Å; S205-M207 WeakPolarHBondContact OG-CG 3.3Å; S205-M207 PolarHBondContact OG-SD 3.07Å; M207-R209 VanDerWaalsContact C-N 3.26Å; M207-R209 PolarHBondContact O-N 3.47Å; M207-R215 PolarHBondContact O-NH2 2.9Å; M207-E232 HydrophobicContact CE-CB 4.02Å; M207-E232 HydrophobicContact CE-CG 3.6Å; M207-E232 WeakPolarHBondContact CE-O 3.32Å; M207-T282 HydrophobicContact CE-CG2 3.84Å; M207-T282 HydrophobicContact SD-CG2 3.96Å
208A96.3Very high94.3Very high22 Ų2229.2 Ų29.218%0.18216%0.162CC..THydrogen-bonded Turntrans-79.43.5179.500000115.1P197 L203 G206 W211P197-A208 HydrophobicContact CB-CB 3.88Å; P197-A208 HydrophobicContact CG-CB 3.96Å; L203-A208 HydrophobicContact CD2-CB 3.65Å; G206-A208 PolarHBondContact O-N 2.81Å; A208-W211 PolarHBondContact O-N 3.26Å
209R95.6Very high94.9Very high45 Ų4524.7 Ų24.717%0.1713%0.134CC..THydrogen-bonded Turntrans-55.4143.2179-82.6-176.7-77.7123.68.5112.9F3 P143 P144 H145 C146 R151 G206 M207 W211 R215F3-R209 VanDerWaalsContact CD1-CD 3.42Å; F3-R209 HydrophobicContact CD1-CG 3.9Å; F3-R209 HydrophobicContact CE1-CG 3.09Å; F3-R209 VanDerWaalsContact CE1-NE 3.31Å; F3-R209 HydrophobicContact CE2-CG 3.84Å; F3-R209 HydrophobicContact CZ-CB 4.44Å; F3-R209 HydrophobicContact CZ-CG 3.05Å; P143-R209 PolarHBondContact O-NH2 2.85Å; P144-R209 VanDerWaalsContact C-NH2 3.26Å; P144-R209 PolarHBondContact O-NH2 2.84Å; H145-R209 PolarHBondContact O-NH2 3.48Å; C146-R209 PolarHBondContact O-NH1 3.24Å; C146-R209 PolarHBondContact O-NH2 3.03Å; C146-R209 VanDerWaalsContact O-NH2 3.12Å; R151-R209 PolarHBondContact NH1-O 3.05Å; G206-R209 WeakPolarHBondContact O-CG 3.32Å; G206-R209 PolarHBondContact O-N 3.43Å; G206-R209 PolarHBondContact O-NE 2.85Å; M207-R209 VanDerWaalsContact C-N 3.26Å; M207-R209 PolarHBondContact O-N 3.47Å; R209-W211 PolarHBondContact O-N 2.81Å; R209-W211 VanDerWaalsContact O-N 3.09Å; R209-R215 PolarHBondContact O-NH1 3.35Å; R209-R215 PolarHBondContact O-NH2 3Å
210D96.3Very high95.4Very high52 Ų5223.8 Ų23.828%0.27813%0.128SC..THydrogen-bonded Turntrans5818.2173.5-41.3-76000114.2R148 R151 D213R148-D210 WeakPolarHBondContact CD-OD1 3.35Å; R148-D210 HydrophobicContact CG-CB 4.01Å; R148-D210 VanDerWaalsContact CG-OD2 3.27Å; R148-D210 WeakPolarHBondContact CG-OD2 3.44Å; R148-D210 IonicContact CZ-OD1 2.7Å; R148-D210 IonicContact NE-OD1 3.51Å; R148-D210 IonicContact NH1-OD1 3.88Å; R148-D210 PolarHBondContact NH1-OD1 2.93Å; R151-D210 IonicContact CZ-OD2 2.74Å; R151-D210 IonicContact NH1-OD2 3.33Å; R151-D210 PolarHBondContact NH1-OD2 3.47Å; R151-D210 IonicContact NH2-OD2 2.71Å; D210-D213 HydrophobicContact CB-CB 4.1Å; D210-D213 WeakPolarHBondContact O-CA 3.35Å; D210-D213 WeakPolarHBondContact O-CB 3.5Å; D210-D213 PolarHBondContact O-N 3Å
211W94.8Very high95.7Very high70 Ų7026.6 Ų26.627%0.26514%0.14SC..THydrogen-bonded Turntrans-55135-179.5-174.9-86.2000112.2L176 F194 P197 A208 R209 R215L176-W211 HydrophobicContact CD1-CH2 3.85Å; L176-W211 HydrophobicContact CD1-CZ2 3.49Å; L176-W211 VanDerWaalsContact CD1-CZ2 3.49Å; F194-W211 AromaticContact CD2-CH2 3.6Å; F194-W211 HydrophobicContact CD2-CH2 3.6Å; F194-W211 HydrophobicContact CD2-CZ2 4.45Å; F194-W211 HydrophobicContact CD2-CZ3 4.4Å; F194-W211 AromaticContact CE2-CH2 3.3Å; F194-W211 HydrophobicContact CE2-CH2 3.3Å; F194-W211 HydrophobicContact CE2-CZ2 4.12Å; F194-W211 AromaticContact CE2-CZ3 3.94Å; F194-W211 HydrophobicContact CE2-CZ3 3.94Å; P197-W211 HydrophobicContact CB-CZ3 4.43Å; P197-W211 HydrophobicContact CG-CD2 3.75Å; P197-W211 HydrophobicContact CG-CE3 3.73Å; P197-W211 HydrophobicContact CG-CG 4.14Å; P197-W211 HydrophobicContact CG-CH2 4.28Å; P197-W211 HydrophobicContact CG-CZ2 4.44Å; P197-W211 HydrophobicContact CG-CZ3 4Å; A208-W211 PolarHBondContact O-N 3.26Å; R209-W211 PolarHBondContact O-N 2.81Å; R209-W211 VanDerWaalsContact O-N 3.09Å; W211-R215 HydrophobicContact CE3-CG 4.25Å; W211-R215 HydrophobicContact CZ3-CG 4.07Å
212P94.8Very high96.1Very high47 Ų4729.2 Ų29.231%0.30515%0.154SC..THydrogen-bonded Turncis-97.8253.738.8-35.9000114.5L176 K177 A214 R215L176-P212 HydrophobicContact CB-CB 3.91Å; L176-P212 HydrophobicContact CD1-CB 4.39Å; K177-P212 HydrophobicContact CB-CG 4.2Å; P212-A214 PolarHBondContact O-N 3.49Å; P212-R215 PolarHBondContact O-N 2.85Å
213D97.8Very high96.3Very high35 Ų3531.4 Ų31.419%0.18716%0.163CC..THydrogen-bonded Turntrans-56.3127.6-176.8-170.5-95000111.9R151 R152 D210 R215R151-D213 WeakPolarHBondContact CD-O 3.38Å; R152-D213 IonicContact CZ-OD1 2.71Å; R152-D213 IonicContact CZ-OD2 3.56Å; R152-D213 IonicContact NE-OD1 2.71Å; R152-D213 PolarHBondContact NE-OD1 2.85Å; R152-D213 IonicContact NE-OD2 2.87Å; R152-D213 PolarHBondContact NE-OD2 3.14Å; R152-D213 IonicContact NH2-OD1 3.7Å; R152-D213 PolarHBondContact NH2-OD1 3.31Å; R152-D213 IonicContact NH2-OD2 3.44Å; R152-D213 PolarHBondContact NH2-OD2 3.14Å; D210-D213 HydrophobicContact CB-CB 4.1Å; D210-D213 WeakPolarHBondContact O-CA 3.35Å; D210-D213 WeakPolarHBondContact O-CB 3.5Å; D210-D213 PolarHBondContact O-N 3Å; D213-R215 VanDerWaalsContact C-N 3.28Å; D213-R215 WeakPolarHBondContact O-CD 3.08Å; D213-R215 PolarHBondContact O-N 3.17Å; D213-R215 PolarHBondContact O-NH1 3.38Å; D213-R215 VanDerWaalsContact O-NH1 3.11Å
214A98.1Very high96.4Very high2 Ų229.6 Ų29.62%0.01715%0.154CC..THydrogen-bonded Turntrans57.829.6179.300000115.8R151 R152 E155 P212 N230R151-A214 HydrophobicContact CB-CB 4.33Å; R151-A214 HydrophobicContact CG-CB 3.84Å; R152-A214 HydrophobicContact CB-CB 4.42Å; R152-A214 HydrophobicContact CG-CB 3.76Å; E155-A214 HydrophobicContact CB-CB 4.06Å; E155-A214 VanDerWaalsContact OE2-CA 3.3Å; E155-A214 WeakPolarHBondContact OE2-CA 3.3Å; E155-A214 WeakPolarHBondContact OE2-CB 3.35Å; P212-A214 PolarHBondContact O-N 3.49Å; A214-N230 VanDerWaalsContact O-CB 3.31Å; A214-N230 WeakPolarHBondContact O-CB 3.49Å; A214-N230 PolarHBondContact O-ND2 3.42Å
215R97.9Very high96.6Very high2 Ų229.3 Ų29.31%0.00815%0.152CC..  trans-111.4147172.6-82.866.8172.3-136-5.3110.8R151 L176 F194 M207 R209 W211 P212 D213 V229 N230R151-R215 VanDerWaalsContact NE-CZ 3.3Å; L176-R215 WeakPolarHBondContact CB-O 3.47Å; L176-R215 HydrophobicContact CD1-CB 3.81Å; L176-R215 HydrophobicContact CG-CB 4.23Å; L176-R215 PolarHBondContact N-O 2.96Å; F194-R215 HydrophobicContact CZ-CB 4.35Å; M207-R215 PolarHBondContact O-NH2 2.9Å; R209-R215 PolarHBondContact O-NH1 3.35Å; R209-R215 PolarHBondContact O-NH2 3Å; W211-R215 HydrophobicContact CE3-CG 4.25Å; W211-R215 HydrophobicContact CZ3-CG 4.07Å; P212-R215 PolarHBondContact O-N 2.85Å; D213-R215 VanDerWaalsContact C-N 3.28Å; D213-R215 WeakPolarHBondContact O-CD 3.08Å; D213-R215 PolarHBondContact O-N 3.17Å; D213-R215 PolarHBondContact O-NH1 3.38Å; D213-R215 VanDerWaalsContact O-NH1 3.11Å; R215-V229 WeakPolarHBondContact CA-O 3.23Å; R215-N230 WeakPolarHBondContact CD-O 3.43Å; R215-N230 HydrophobicContact CG-CB 4.09Å; R215-N230 WeakPolarHBondContact CG-O 3.4Å; R215-N230 PolarHBondContact NE-O 3.09Å
216G96.2Very high96.7Very high0 Ų029 Ų290%015%0.15CC..EExtended strand (participates in β ladder)trans-175.6-178.2176.600000113.1Y173 Y174 V229Y173-G216 VanDerWaalsContact OH-CA 3.28Å; Y173-G216 WeakPolarHBondContact OH-CA 3.43Å; Y173-G216 PolarHBondContact OH-N 3.2Å; Y174-G216 VanDerWaalsContact O-CA 3.25Å; Y174-G216 WeakPolarHBondContact O-CA 3.34Å; G216-V229 PolarHBondContact N-O 3.33Å; G216-V229 PolarHBondContact O-N 3.06Å
217I96.9Very high96.8Very high0 Ų029 Ų290%015%0.149CC..EExtended strand (participates in β ladder)trans-126.6133.2177.4-177.4166000108.6Y174 M179 L187 F192 L193 L226 V227Y174-I217 PolarHBondContact N-O 2.65Å; Y174-I217 PolarHBondContact O-N 3.3Å; M179-I217 HydrophobicContact CE-CG2 3.93Å; L187-I217 HydrophobicContact CD1-CG2 4.2Å; F192-I217 HydrophobicContact CB-CD1 4.43Å; F192-I217 WeakPolarHBondContact O-CD1 3.35Å; L193-I217 HydrophobicContact CD1-CB 3.8Å; L193-I217 HydrophobicContact CD1-CD1 3.98Å; L193-I217 HydrophobicContact CD1-CG2 3.69Å; I217-L226 HydrophobicContact CD1-CD2 3.98Å; I217-V227 WeakPolarHBondContact CA-O 3.16Å
218W97.5Very high96.9Very high0 Ų029.4 Ų29.40%015%0.15CC..EExtended strand (participates in β ladder)trans-103.3144.1160.9179.4100.2000108.5L162 L165 L169 K172 Y173 N220 F225 L226 V227L162-W218 HydrophobicContact CB-CD2 4.07Å; L162-W218 HydrophobicContact CB-CG 3.84Å; L162-W218 HydrophobicContact CD1-CB 3.72Å; L162-W218 HydrophobicContact CD1-CD2 4.42Å; L162-W218 HydrophobicContact CD1-CG 3.9Å; L162-W218 HydrophobicContact CD2-CD2 4.31Å; L162-W218 HydrophobicContact CD2-CE3 4.39Å; L162-W218 HydrophobicContact CG-CD2 4.5Å; L162-W218 HydrophobicContact CG-CG 4.32Å; L162-W218 PolarHBondContact O-NE1 3.23Å; L165-W218 HydrophobicContact CB-CZ2 4.25Å; L165-W218 HydrophobicContact CD1-CH2 3.63Å; L165-W218 HydrophobicContact CD1-CZ2 3.7Å; L165-W218 HydrophobicContact CD1-CZ3 4.3Å; L169-W218 WeakPolarHBondContact O-CH2 3.48Å; L169-W218 WeakPolarHBondContact O-CZ2 3.14Å; K172-W218 WeakPolarHBondContact O-CA 3.5Å; Y173-W218 HydrophobicContact CD2-CB 4.06Å; W218-N220 HydrophobicContact CH2-CB 4.05Å; W218-F225 AromaticContact CH2-CD1 3.95Å; W218-F225 HydrophobicContact CH2-CD1 3.95Å; W218-F225 AromaticContact CZ3-CD1 3.56Å; W218-F225 HydrophobicContact CZ3-CD1 3.56Å; W218-F225 HydrophobicContact CZ3-CE1 4.15Å; W218-F225 HydrophobicContact CZ3-CG 4.49Å; W218-F225 WeakPolarHBondContact CZ3-O 3.43Å; W218-L226 CarbonylContact O-C 3.55Å; W218-L226 WeakPolarHBondContact O-CA 3.38Å; W218-V227 HydrophobicContact CB-CB 4.38Å; W218-V227 HydrophobicContact CE3-CB 4.31Å; W218-V227 HydrophobicContact CE3-CG2 3.97Å; W218-V227 HydrophobicContact CZ3-CG2 4.42Å; W218-V227 PolarHBondContact N-O 3.4Å; W218-V227 PolarHBondContact O-N 2.74Å
219H97.1Very high97Very high12 Ų1228.4 Ų28.46%0.05614%0.142CC..EExtended strand (participates in β ladder)trans-147.9153.8167.363.474.3000111.3G171 K172 Y174 F225 L226G171-H219 CarbonylContact C-O 3.59Å; G171-H219 WeakPolarHBondContact CA-O 3.31Å; K172-H219 PolarHBondContact N-O 3.17Å; K172-H219 PolarHBondContact O-N 2.77Å; Y174-H219 AromaticContact CD2-CD2 4Å; Y174-H219 AromaticContact CD2-NE2 3.79Å; Y174-H219 AromaticContact CE2-CD2 3.77Å; Y174-H219 AromaticContact CE2-CE1 3.64Å; Y174-H219 AromaticContact CE2-NE2 3.22Å; Y174-H219 WeakPolarHBondContact CE2-NE2 3.18Å; Y174-H219 AromaticContact CZ-CE1 3.99Å; Y174-H219 AromaticContact CZ-NE2 3.72Å; H219-F225 WeakPolarHBondContact CA-O 3.24Å; H219-L226 HydrophobicContact CB-CB 4.25Å; H219-L226 HydrophobicContact CB-CD2 3.99Å; H219-L226 HydrophobicContact CB-CG 3.82Å
220N97.8Very high97.1Very high0 Ų026.3 Ų26.30%013%0.134CC..EExtended strand (participates in β ladder)trans-68164.1170.674.2-24.6000111.6D168 K170 W218 N222 K223 T224 F225D168-N220 PolarHBondContact O-ND2 2.86Å; K170-N220 CarbonylContact O-C 3.52Å; K170-N220 WeakPolarHBondContact O-CA 3.11Å; K170-N220 VanDerWaalsContact O-CB 3.31Å; K170-N220 WeakPolarHBondContact O-CB 3.46Å; W218-N220 HydrophobicContact CH2-CB 4.05Å; N220-N222 PolarHBondContact O-N 2.98Å; N220-K223 PolarHBondContact O-N 3.35Å; N220-K223 WeakPolarHBondContact OD1-CA 3.33Å; N220-K223 PolarHBondContact OD1-N 3.18Å; N220-T224 PolarHBondContact ND2-OG1 3.02Å; N220-T224 PolarHBondContact OD1-N 2.9Å; N220-F225 HydrophobicContact CB-CB 4.5Å; N220-F225 PolarHBondContact N-O 2.75Å; N220-F225 PolarHBondContact OD1-N 3.1Å; N220-F225 PolarHBondContact OD1-O 3.18Å
221D95.1Very high97Very high114 Ų11425 Ų2561%0.6113%0.126SC*.THydrogen-bonded Turntrans-57.7-34-178.4-67.7-21.4000112.2K170 K223K170-D221 PolarHBondContact O-N 3.39Å; D221-K223 VanDerWaalsContact C-N 3.32Å; D221-K223 PolarHBondContact O-N 3.07Å
222N95.7Very high97Very high101 Ų10124 Ų2454%0.5412%0.124SC..THydrogen-bonded Turntrans-81.5-5.3179.9-67.6-30.2000114.2D168 N220 T224D168-N222 PolarHBondContact OD1-ND2 3.07Å; N220-N222 PolarHBondContact O-N 2.98Å; N222-T224 HydrophobicContact CB-CG2 4.16Å; N222-T224 PolarHBondContact O-N 3.19Å
223K95.2Very high97.2Very high69 Ų6921.7 Ų21.730%0.311%0.11SC..SBendtrans51.133.1-173-51.8-171.6-176.4-179.60114D190 F192 N220 D221D190-K223 IonicContact OD2-NZ 3.87Å; D190-K223 PolarHBondContact OD2-NZ 3.08Å; F192-K223 HydrophobicContact CD2-CB 4.42Å; F192-K223 HydrophobicContact CD2-CD 3.68Å; F192-K223 HydrophobicContact CE1-CB 4.31Å; F192-K223 HydrophobicContact CE2-CB 3.8Å; F192-K223 HydrophobicContact CE2-CD 3.22Å; F192-K223 HydrophobicContact CE2-CG 4.17Å; F192-K223 HydrophobicContact CZ-CB 3.73Å; F192-K223 HydrophobicContact CZ-CD 4.01Å; N220-K223 PolarHBondContact O-N 3.35Å; N220-K223 WeakPolarHBondContact OD1-CA 3.33Å; N220-K223 PolarHBondContact OD1-N 3.18Å; D221-K223 VanDerWaalsContact C-N 3.32Å; D221-K223 PolarHBondContact O-N 3.07Å
224T97.3Very high97.3Very high27 Ų2720 Ų2017%0.16610%0.101CC..SBendtrans-104.6-10.5177.655.60000113.1N220 N222 S239 M240 R252N220-T224 PolarHBondContact ND2-OG1 3.02Å; N220-T224 PolarHBondContact OD1-N 2.9Å; N222-T224 HydrophobicContact CB-CG2 4.16Å; N222-T224 PolarHBondContact O-N 3.19Å; T224-S239 WeakPolarHBondContact O-CA 3.37Å; T224-S239 PolarHBondContact O-OG 2.64Å; T224-M240 VanDerWaalsContact CA-O 3.31Å; T224-M240 WeakPolarHBondContact CA-O 3.49Å; T224-M240 PolarHBondContact O-N 2.9Å; T224-R252 PolarHBondContact O-NE 3.1Å; T224-R252 VanDerWaalsContact O-NE 3.08Å
225F98.6Very high97.3Very high0 Ų020 Ų200%010%0.1CC..EExtended strand (participates in β ladder)trans-138.6124.1173.6-168.2-114.1000109.4L165 L169 W218 H219 N220 V227 V237 I238 R252 I260L165-F225 HydrophobicContact CD1-CE1 4.4Å; L169-F225 HydrophobicContact CD2-CB 4.03Å; L169-F225 HydrophobicContact CD2-CD1 3.74Å; L169-F225 HydrophobicContact CD2-CE1 4.35Å; L169-F225 HydrophobicContact CD2-CG 3.88Å; W218-F225 AromaticContact CH2-CD1 3.95Å; W218-F225 HydrophobicContact CH2-CD1 3.95Å; W218-F225 AromaticContact CZ3-CD1 3.56Å; W218-F225 HydrophobicContact CZ3-CD1 3.56Å; W218-F225 HydrophobicContact CZ3-CE1 4.15Å; W218-F225 HydrophobicContact CZ3-CG 4.49Å; W218-F225 WeakPolarHBondContact CZ3-O 3.43Å; H219-F225 WeakPolarHBondContact CA-O 3.24Å; N220-F225 HydrophobicContact CB-CB 4.5Å; N220-F225 PolarHBondContact N-O 2.75Å; N220-F225 PolarHBondContact OD1-N 3.1Å; N220-F225 PolarHBondContact OD1-O 3.18Å; F225-V227 HydrophobicContact CE1-CG2 4.45Å; F225-V237 HydrophobicContact CE1-CG1 4.41Å; F225-V237 HydrophobicContact CE2-CG1 3.54Å; F225-V237 HydrophobicContact CZ-CG1 3.37Å; F225-I238 CarbonylContact C-O 3.56Å; F225-I238 VanDerWaalsContact CA-O 3.32Å; F225-I238 WeakPolarHBondContact CA-O 3.15Å; F225-I238 VanDerWaalsContact CD2-O 3.32Å; F225-I238 WeakPolarHBondContact CD2-O 3.26Å; F225-R252 HydrophobicContact CB-CG 4.39Å; F225-R252 HydrophobicContact CD2-CG 4.39Å; F225-I260 HydrophobicContact CE1-CD1 3.82Å; F225-I260 HydrophobicContact CZ-CD1 3.85Å
226L98.2Very high97.3Very high0 Ų020.3 Ų20.30%010%0.102CC..EExtended strand (participates in β ladder)trans-134.8150.3-172-49.891.6000110.3F192 I217 W218 H219 I238 M240F192-L226 HydrophobicContact CB-CD2 3.57Å; F192-L226 HydrophobicContact CD1-CD1 4.34Å; F192-L226 HydrophobicContact CD1-CD2 3.63Å; F192-L226 HydrophobicContact CG-CD2 3.73Å; I217-L226 HydrophobicContact CD1-CD2 3.98Å; W218-L226 CarbonylContact O-C 3.55Å; W218-L226 WeakPolarHBondContact O-CA 3.38Å; H219-L226 HydrophobicContact CB-CB 4.25Å; H219-L226 HydrophobicContact CB-CD2 3.99Å; H219-L226 HydrophobicContact CB-CG 3.82Å; L226-I238 HydrophobicContact CB-CB 4.27Å; L226-I238 HydrophobicContact CD1-CG2 4.22Å; L226-I238 PolarHBondContact N-O 3.04Å; L226-I238 PolarHBondContact O-N 3.3Å; L226-M240 HydrophobicContact CD1-CG 3.86Å; L226-M240 HydrophobicContact CD1-SD 3.98Å
227V98.5Very high97.4Very high0 Ų020.3 Ų20.30%010%0.102CC..EExtended strand (participates in β ladder)trans-134.4117.1174-175.30000109.2L162 I217 W218 F225 V229 L235 R236 V237 I260L162-V227 HydrophobicContact CD1-CB 4.01Å; L162-V227 HydrophobicContact CD1-CG1 4Å; L162-V227 HydrophobicContact CD1-CG2 4.43Å; L162-V227 HydrophobicContact CD2-CB 4.24Å; L162-V227 HydrophobicContact CD2-CG1 4.48Å; L162-V227 HydrophobicContact CD2-CG2 3.75Å; I217-V227 WeakPolarHBondContact CA-O 3.16Å; W218-V227 HydrophobicContact CB-CB 4.38Å; W218-V227 HydrophobicContact CE3-CB 4.31Å; W218-V227 HydrophobicContact CE3-CG2 3.97Å; W218-V227 HydrophobicContact CZ3-CG2 4.42Å; W218-V227 PolarHBondContact N-O 3.4Å; W218-V227 PolarHBondContact O-N 2.74Å; F225-V227 HydrophobicContact CE1-CG2 4.45Å; V227-V229 HydrophobicContact CG1-CG2 4.43Å; V227-L235 HydrophobicContact CG1-CB 4.33Å; V227-L235 HydrophobicContact CG1-CD2 3.86Å; V227-R236 CarbonylContact C-O 3.59Å; V227-R236 VanDerWaalsContact CA-O 3.28Å; V227-R236 WeakPolarHBondContact CA-O 3.42Å; V227-V237 HydrophobicContact CG1-CG2 4.36Å; V227-V237 HydrophobicContact CG2-CG1 4.43Å; V227-V237 HydrophobicContact CG2-CG2 4.25Å; V227-I260 HydrophobicContact CG2-CD1 3.95Å
228W98.3Very high97.5Very high20 Ų2020.4 Ų20.48%0.07610%0.102CC..EExtended strand (participates in β ladder)trans-84.9138.7168.2-52.4-20.9000109.4F192 F194 L235 R236 I238F192-W228 WeakPolarHBondContact O-CZ2 3.4Å; F192-W228 PolarHBondContact O-NE1 3.37Å; F194-W228 HydrophobicContact CB-CD2 4.09Å; F194-W228 HydrophobicContact CB-CE3 3.76Å; F194-W228 HydrophobicContact CB-CH2 3.79Å; F194-W228 HydrophobicContact CB-CZ2 4.13Å; F194-W228 HydrophobicContact CB-CZ3 3.59Å; F194-W228 HydrophobicContact CD1-CB 3.75Å; F194-W228 AromaticContact CD1-CD1 3.8Å; F194-W228 AromaticContact CD1-CD2 3.48Å; F194-W228 HydrophobicContact CD1-CD2 3.48Å; F194-W228 VanDerWaalsContact CD1-CD2 3.48Å; F194-W228 AromaticContact CD1-CE2 3.87Å; F194-W228 AromaticContact CD1-CE3 3.88Å; F194-W228 HydrophobicContact CD1-CE3 3.88Å; F194-W228 AromaticContact CD1-CG 3.44Å; F194-W228 HydrophobicContact CD1-CG 3.44Å; F194-W228 VanDerWaalsContact CD1-CG 3.44Å; F194-W228 HydrophobicContact CE1-CB 3.72Å; F194-W228 HydrophobicContact CE1-CD2 4.35Å; F194-W228 AromaticContact CE1-CG 3.84Å; F194-W228 HydrophobicContact CE1-CG 3.84Å; F194-W228 HydrophobicContact CG-CD2 4.23Å; F194-W228 HydrophobicContact CG-CE3 4.2Å; W228-L235 CarbonylContact O-C 3.5Å; W228-L235 WeakPolarHBondContact O-CA 3.47Å; W228-R236 HydrophobicContact CB-CB 4.06Å; W228-R236 HydrophobicContact CD2-CB 4.38Å; W228-R236 HydrophobicContact CE3-CB 4.14Å; W228-R236 HydrophobicContact CE3-CG 4.31Å; W228-R236 HydrophobicContact CG-CB 4.37Å; W228-R236 PolarHBondContact N-O 3.05Å; W228-R236 PolarHBondContact O-N 2.87Å; W228-I238 HydrophobicContact CD2-CD1 3.78Å; W228-I238 HydrophobicContact CE3-CD1 4.42Å; W228-I238 HydrophobicContact CG-CD1 4.12Å; W228-I238 HydrophobicContact CZ2-CD1 3.96Å
229V98.6Very high97.6Very high0 Ų020.4 Ų20.40%010%0.102CC..EExtended strand (participates in β ladder)trans-116.6125.4-177-176.90000109.2E155 Y173 R215 G216 V227 H234 L235E155-V229 HydrophobicContact CB-CG1 4.36Å; Y173-V229 HydrophobicContact CD2-CG2 4.49Å; Y173-V229 HydrophobicContact CE2-CB 4.12Å; Y173-V229 HydrophobicContact CE2-CG2 3.83Å; R215-V229 WeakPolarHBondContact CA-O 3.23Å; G216-V229 PolarHBondContact N-O 3.33Å; G216-V229 PolarHBondContact O-N 3.06Å; V227-V229 HydrophobicContact CG1-CG2 4.43Å; V229-H234 WeakPolarHBondContact CA-O 3.36Å; V229-L235 HydrophobicContact CG2-CD2 4.18Å
230N98.4Very high97.6Very high1 Ų120.8 Ų20.81%0.00510%0.104CC..SBendtrans60.836.2175.4-68.2-45.9000116.6R151 I154 A214 R215 D233 H234R151-N230 HydrophobicContact CG-CB 3.86Å; R151-N230 WeakPolarHBondContact CG-ND2 3.43Å; R151-N230 PolarHBondContact O-ND2 3.3Å; I154-N230 WeakPolarHBondContact CG2-OD1 3.45Å; A214-N230 VanDerWaalsContact O-CB 3.31Å; A214-N230 WeakPolarHBondContact O-CB 3.49Å; A214-N230 PolarHBondContact O-ND2 3.42Å; R215-N230 WeakPolarHBondContact CD-O 3.43Å; R215-N230 HydrophobicContact CG-CB 4.09Å; R215-N230 WeakPolarHBondContact CG-O 3.4Å; R215-N230 PolarHBondContact NE-O 3.09Å; N230-D233 WeakPolarHBondContact CA-O 3.48Å; N230-H234 PolarHBondContact N-O 2.92Å
231E94.8Very high97.5Very high26 Ų2622.6 Ų22.612%0.12111%0.113CC..SBendtrans-89.5-104.3172.3-167.4-89.5153.600110.6F194 L202 D233F194-E231 HydrophobicContact CB-CG 3.96Å; F194-E231 HydrophobicContact CD1-CB 4.42Å; F194-E231 HydrophobicContact CD1-CG 4.36Å; F194-E231 HydrophobicContact CD2-CB 4.12Å; F194-E231 HydrophobicContact CD2-CG 3.48Å; F194-E231 VanDerWaalsContact CD2-CG 3.48Å; F194-E231 HydrophobicContact CE1-CB 4.48Å; F194-E231 HydrophobicContact CE2-CB 4.12Å; F194-E231 HydrophobicContact CE2-CG 3.91Å; F194-E231 HydrophobicContact CG-CB 4.23Å; F194-E231 HydrophobicContact CG-CG 3.7Å; F194-E231 HydrophobicContact CZ-CB 4.32Å; L202-E231 WeakPolarHBondContact CD1-OE1 3.46Å; E231-D233 PolarHBondContact N-O 3.2Å
232E95.3Very high97.6Very high47 Ų4725 Ų2522%0.2212%0.117CC..SBendtrans-77.5-26.9177.1-167-171.5153.900112.3L202 M207 R236 T282 N286L202-E232 HydrophobicContact CD2-CB 4.3Å; L202-E232 HydrophobicContact CD2-CG 3.98Å; M207-E232 HydrophobicContact CE-CB 4.02Å; M207-E232 HydrophobicContact CE-CG 3.6Å; M207-E232 WeakPolarHBondContact CE-O 3.32Å; E232-R236 IonicContact OE1-NH2 2.76Å; E232-R236 PolarHBondContact OE1-NH2 2.88Å; E232-R236 IonicContact OE2-CZ 3.45Å; E232-R236 IonicContact OE2-NH2 3.59Å; E232-R236 PolarHBondContact OE2-NH2 2.93Å; E232-T282 WeakPolarHBondContact O-CB 3.25Å; E232-T282 PolarHBondContact O-OG1 3.4Å; E232-N286 PolarHBondContact OE1-ND2 3.21Å; E232-N286 VanDerWaalsContact OE1-ND2 3.1Å
233D98.5Very high97.6Very high0 Ų021 Ų210%010%0.1CC..SBendtrans-138.2173.7177.2-60.4-74.3000109N230 E231 L235 R236 L281 T282N230-D233 WeakPolarHBondContact CA-O 3.48Å; E231-D233 PolarHBondContact N-O 3.2Å; D233-L235 VanDerWaalsContact C-N 3.31Å; D233-L235 PolarHBondContact O-N 2.83Å; D233-R236 IonicContact OD2-CZ 3.82Å; D233-R236 IonicContact OD2-NE 2.88Å; D233-R236 PolarHBondContact OD2-NE 2.99Å; D233-R236 IonicContact OD2-NH2 3.72Å; D233-R236 PolarHBondContact OD2-NH2 2.73Å; D233-L281 HydrophobicContact CB-CD2 4.05Å; D233-L281 WeakPolarHBondContact OD1-CB 3.28Å; D233-T282 WeakPolarHBondContact OD1-CB 3.3Å; D233-T282 PolarHBondContact OD1-N 2.84Å; D233-T282 PolarHBondContact OD1-OG1 3.05Å; D233-T282 VanDerWaalsContact OD1-OG1 3.08Å
234H98.8Very high97.7Very high0 Ų018 Ų180%09%0.089CC..SBendtrans-59-46.9178.2-62.7177.2000110.8I137 C141 I154 V229 N230I137-H234 HydrophobicContact CD1-CB 4.38Å; I137-H234 HydrophobicContact CG1-CB 4.49Å; I137-H234 PolarHBondContact N-ND1 2.84Å; C141-H234 PolarHBondContact O-NE2 2.76Å; I154-H234 HydrophobicContact CG2-CB 3.85Å; V229-H234 WeakPolarHBondContact CA-O 3.36Å; N230-H234 PolarHBondContact N-O 2.92Å
235L98.8Very high97.7Very high1 Ų118.9 Ų18.91%0.0059%0.092CC..EExtended strand (participates in β ladder)trans-129137.5176.5-58.5177.7000110.6G134 R135 S158 V227 W228 V229 D233 F264 F271G134-L235 CarbonylContact C-O 3.59Å; G134-L235 WeakPolarHBondContact CA-O 3.22Å; R135-L235 HydrophobicContact CB-CB 4.28Å; R135-L235 HydrophobicContact CB-CD1 4.42Å; R135-L235 PolarHBondContact N-O 3.15Å; R135-L235 PolarHBondContact O-N 2.85Å; S158-L235 WeakPolarHBondContact OG-CD2 3.45Å; V227-L235 HydrophobicContact CG1-CB 4.33Å; V227-L235 HydrophobicContact CG1-CD2 3.86Å; W228-L235 CarbonylContact O-C 3.5Å; W228-L235 WeakPolarHBondContact O-CA 3.47Å; V229-L235 HydrophobicContact CG2-CD2 4.18Å; D233-L235 VanDerWaalsContact C-N 3.31Å; D233-L235 PolarHBondContact O-N 2.83Å; L235-F264 HydrophobicContact CD1-CE2 3.73Å; L235-F264 HydrophobicContact CD1-CZ 3.88Å; L235-F271 HydrophobicContact CD1-CE1 3.88Å; L235-F271 HydrophobicContact CD1-CZ 4.05Å
236R98.4Very high97.7Very high9 Ų918.9 Ų18.93%0.0349%0.092CC..EExtended strand (participates in β ladder)trans-116.6106.8159-69.4-72.1-175131.18.9109.6T133 V227 W228 E232 D233 N286T133-R236 CarbonylContact O-C 3.57Å; T133-R236 VanDerWaalsContact O-CA 3.29Å; T133-R236 WeakPolarHBondContact O-CA 3.43Å; T133-R236 WeakPolarHBondContact O-CD 3.1Å; V227-R236 CarbonylContact C-O 3.59Å; V227-R236 VanDerWaalsContact CA-O 3.28Å; V227-R236 WeakPolarHBondContact CA-O 3.42Å; W228-R236 HydrophobicContact CB-CB 4.06Å; W228-R236 HydrophobicContact CD2-CB 4.38Å; W228-R236 HydrophobicContact CE3-CB 4.14Å; W228-R236 HydrophobicContact CE3-CG 4.31Å; W228-R236 HydrophobicContact CG-CB 4.37Å; W228-R236 PolarHBondContact N-O 3.05Å; W228-R236 PolarHBondContact O-N 2.87Å; E232-R236 IonicContact OE1-NH2 2.76Å; E232-R236 PolarHBondContact OE1-NH2 2.88Å; E232-R236 IonicContact OE2-CZ 3.45Å; E232-R236 IonicContact OE2-NH2 3.59Å; E232-R236 PolarHBondContact OE2-NH2 2.93Å; D233-R236 IonicContact OD2-CZ 3.82Å; D233-R236 IonicContact OD2-NE 2.88Å; D233-R236 PolarHBondContact OD2-NE 2.99Å; D233-R236 IonicContact OD2-NH2 3.72Å; D233-R236 PolarHBondContact OD2-NH2 2.73Å; R236-N286 PolarHBondContact NH2-ND2 3.04Å; R236-N286 VanDerWaalsContact NH2-ND2 3.19Å
237V98.6Very high97.8Very high0 Ų021.6 Ų21.60%010%0.103CC..EExtended strand (participates in β ladder)trans-90.8128.8-179.2-1770000109.3R132 T133 F225 V227 F253 L257 I260R132-V237 CarbonylContact C-O 3.57Å; R132-V237 WeakPolarHBondContact CA-O 2.95Å; T133-V237 HydrophobicContact CG2-CB 4.37Å; T133-V237 PolarHBondContact N-O 2.59Å; T133-V237 PolarHBondContact O-N 3.07Å; F225-V237 HydrophobicContact CE1-CG1 4.41Å; F225-V237 HydrophobicContact CE2-CG1 3.54Å; F225-V237 HydrophobicContact CZ-CG1 3.37Å; V227-V237 HydrophobicContact CG1-CG2 4.36Å; V227-V237 HydrophobicContact CG2-CG1 4.43Å; V227-V237 HydrophobicContact CG2-CG2 4.25Å; V237-F253 HydrophobicContact CG1-CE2 4.49Å; V237-L257 HydrophobicContact CB-CD1 4.14Å; V237-L257 HydrophobicContact CG1-CD1 4.18Å; V237-L257 HydrophobicContact CG2-CD1 3.91Å; V237-I260 HydrophobicContact CG1-CD1 4.24Å; V237-I260 HydrophobicContact CG2-CD1 4.18Å
238I98.6Very high97.8Very high1 Ų125.6 Ų25.61%0.00512%0.121CC..EExtended strand (participates in β ladder)trans-135.2131.3-168.3-58.2158.1000109.2R130 V131 R132 F225 L226 W228 M240R130-I238 HydrophobicContact CG-CG2 4.13Å; R130-I238 VanDerWaalsContact NH2-CG1 3.3Å; V131-I238 CarbonylContact O-C 3.53Å; V131-I238 WeakPolarHBondContact O-CA 3.4Å; R132-I238 HydrophobicContact CB-CG1 3.9Å; F225-I238 CarbonylContact C-O 3.56Å; F225-I238 VanDerWaalsContact CA-O 3.32Å; F225-I238 WeakPolarHBondContact CA-O 3.15Å; F225-I238 VanDerWaalsContact CD2-O 3.32Å; F225-I238 WeakPolarHBondContact CD2-O 3.26Å; L226-I238 HydrophobicContact CB-CB 4.27Å; L226-I238 HydrophobicContact CD1-CG2 4.22Å; L226-I238 PolarHBondContact N-O 3.04Å; L226-I238 PolarHBondContact O-N 3.3Å; W228-I238 HydrophobicContact CD2-CD1 3.78Å; W228-I238 HydrophobicContact CE3-CD1 4.42Å; W228-I238 HydrophobicContact CG-CD1 4.12Å; W228-I238 HydrophobicContact CZ2-CD1 3.96Å; I238-M240 HydrophobicContact CG2-CG 4.45Å; I238-M240 HydrophobicContact CG2-SD 4.15Å
239S98.7Very high97.8Very high0 Ų024.7 Ų24.70%012%0.118CC..EExtended strand (participates in β ladder)trans-116.7136.4163.4-176.60000108.6R130 V131 T224 V249 R252R130-S239 CarbonylContact C-O 3.54Å; R130-S239 WeakPolarHBondContact CA-O 3.32Å; V131-S239 PolarHBondContact N-O 2.98Å; V131-S239 PolarHBondContact O-N 3.47Å; T224-S239 WeakPolarHBondContact O-CA 3.37Å; T224-S239 PolarHBondContact O-OG 2.64Å; S239-V249 VanDerWaalsContact CB-O 3.26Å; S239-V249 WeakPolarHBondContact CB-O 3.5Å; S239-V249 VanDerWaalsContact O-CG1 3.3Å; S239-V249 WeakPolarHBondContact O-CG1 3.49Å; S239-V249 PolarHBondContact OG-O 3.19Å; S239-R252 PolarHBondContact OG-NE 3.41Å
240M97.7Very high97.8Very high21 Ų2124.7 Ų24.710%0.10312%0.118CC..EExtended strand (participates in β ladder)trans-155.2156.6177.359.3-167.7-72.300112.8S129 R130 F192 T224 L226 I238 R252S129-M240 VanDerWaalsContact O-CA 3.28Å; S129-M240 WeakPolarHBondContact O-CA 3.28Å; R130-M240 HydrophobicContact CB-CB 3.88Å; R130-M240 HydrophobicContact CG-CB 3.88Å; F192-M240 HydrophobicContact CD1-CE 4.13Å; F192-M240 HydrophobicContact CD1-SD 3.86Å; F192-M240 HydrophobicContact CE1-CE 3.89Å; F192-M240 HydrophobicContact CE1-CG 4.39Å; F192-M240 HydrophobicContact CE1-SD 3.93Å; T224-M240 VanDerWaalsContact CA-O 3.31Å; T224-M240 WeakPolarHBondContact CA-O 3.49Å; T224-M240 PolarHBondContact O-N 2.9Å; L226-M240 HydrophobicContact CD1-CG 3.86Å; L226-M240 HydrophobicContact CD1-SD 3.98Å; I238-M240 HydrophobicContact CG2-CG 4.45Å; I238-M240 HydrophobicContact CG2-SD 4.15Å; M240-R252 PolarHBondContact O-NH2 3.49Å
241Q96.1Very high97.8Very high38 Ų3826.8 Ų26.818%0.17813%0.131CC..EExtended strand (participates in β ladder)trans-156.4167168.470.8-163.366.800110.9S128 S129 E248 V249S128-Q241 VanDerWaalsContact CA-O 3.31Å; S128-Q241 WeakPolarHBondContact CA-O 3.37Å; S128-Q241 WeakPolarHBondContact CB-O 3.34Å; S129-Q241 PolarHBondContact N-O 3.22Å; S129-Q241 PolarHBondContact O-N 2.89Å; Q241-E248 PolarHBondContact NE2-OE2 2.91Å; Q241-V249 HydrophobicContact CB-CG2 4.33Å; Q241-V249 HydrophobicContact CG-CG2 3.49Å; Q241-V249 VanDerWaalsContact CG-CG2 3.49Å; Q241-V249 VanDerWaalsContact OE1-CG2 3.3Å
242K95.6Very high98Very high164 Ų16426.5 Ų26.571%0.71313%0.129SC*.EExtended strand (participates in β ladder)trans-72152169.5-63.7-64.9-176.6-178.20110.6
243G96.3Very high98.2Very high17 Ų1724.3 Ų24.318%0.17512%0.118CC..SBendtrans79.2-168.2-179.100000114.4L127 S128 S129L127-G243 PolarHBondContact O-N 2.95Å; S128-G243 CarbonylContact C-O 3.54Å; S129-G243 PolarHBondContact N-O 3.37Å; S129-G243 PolarHBondContact OG-O 3.23Å
244G97Very high98.2Very high6 Ų624.5 Ų24.56%0.06212%0.12CC..SBendtrans-104.210.9-164.800000117.2L121 M246L121-G244 VanDerWaalsContact CB-O 3.25Å; L121-G244 WeakPolarHBondContact CB-O 3.28Å; L121-G244 VanDerWaalsContact CG-O 3.29Å; L121-G244 WeakPolarHBondContact CG-O 3.49Å; L121-G244 PolarHBondContact N-O 3.41Å; L121-G244 WeakPolarHBondContact O-CA 3.44Å; G244-M246 VanDerWaalsContact C-N 3.26Å; G244-M246 PolarHBondContact O-N 2.83Å
245N98.6Very high98.2Very high45 Ų4527.6 Ų27.624%0.24114%0.139CC..  trans-80.273.4178.7-166.9-14.4000111.3G118 D119 R247 E248 V249G118-N245 CarbonylContact O-C 3.52Å; D119-N245 WeakPolarHBondContact CA-OD1 3.28Å; N245-R247 VanDerWaalsContact C-N 3.28Å; N245-R247 PolarHBondContact O-N 2.94Å; N245-E248 HydrophobicContact CB-CB 4.25Å; N245-E248 VanDerWaalsContact CG-CB 3.42Å; N245-E248 WeakPolarHBondContact ND2-CB 3.3Å; N245-E248 PolarHBondContact ND2-OE2 3.34Å; N245-E248 VanDerWaalsContact ND2-OE2 3.12Å; N245-E248 PolarHBondContact O-N 2.9Å; N245-E248 WeakPolarHBondContact OD1-CB 3.34Å; N245-E248 PolarHBondContact OD1-N 3.3Å; N245-V249 WeakPolarHBondContact O-CG2 3.42Å; N245-V249 PolarHBondContact O-N 3.04Å
246M98.7Very high98.1Very high0 Ų027.6 Ų27.60%014%0.139CC..Hα-helixtrans-62.3-34.1176-176.860.473.500112.1G118 L121 V131 G244 E248 V249 F250 G294 V295 V350 V353 V354G118-M246 WeakPolarHBondContact O-CA 3.24Å; G118-M246 WeakPolarHBondContact O-CB 3.32Å; G118-M246 PolarHBondContact O-N 2.83Å; L121-M246 HydrophobicContact CD1-CB 4.03Å; V131-M246 HydrophobicContact CG2-SD 3.66Å; G244-M246 VanDerWaalsContact C-N 3.26Å; G244-M246 PolarHBondContact O-N 2.83Å; M246-E248 PolarHBondContact O-N 3.37Å; M246-V249 PolarHBondContact O-N 3.29Å; M246-V249 HydrophobicContact SD-CB 4.5Å; M246-F250 WeakPolarHBondContact O-CB 3.33Å; M246-F250 PolarHBondContact O-N 2.76Å; M246-G294 WeakPolarHBondContact CE-O 3.47Å; M246-V295 HydrophobicContact CE-CG1 3.8Å; M246-V350 HydrophobicContact CG-CG1 3.81Å; M246-V350 HydrophobicContact SD-CG1 4.42Å; M246-V353 HydrophobicContact CE-CG1 4.31Å; M246-V354 HydrophobicContact CB-CG2 4.18Å; M246-V354 HydrophobicContact CG-CG2 3.94Å
247R98.7Very high98.1Very high57 Ų5727.1 Ų27.122%0.21514%0.137CC..Hα-helixtrans-59.3-47.3177.1178.6-177.4-69.6-87.5-7.2111.6L115 G117 G118 D119 N245 F250 T251L115-R247 HydrophobicContact CD2-CB 4.17Å; L115-R247 HydrophobicContact CD2-CG 4.49Å; L115-R247 VanDerWaalsContact O-CZ 3.27Å; L115-R247 PolarHBondContact O-NH1 2.99Å; L115-R247 PolarHBondContact O-NH2 3.06Å; G117-R247 PolarHBondContact O-NE 3.27Å; G117-R247 VanDerWaalsContact O-NE 3.09Å; G117-R247 PolarHBondContact O-NH2 3.47Å; G118-R247 PolarHBondContact O-N 2.99Å; D119-R247 HydrophobicContact CB-CB 4.09Å; D119-R247 IonicContact OD1-NE 3.48Å; N245-R247 VanDerWaalsContact C-N 3.28Å; N245-R247 PolarHBondContact O-N 2.94Å; R247-F250 PolarHBondContact O-N 3.47Å; R247-T251 WeakPolarHBondContact O-CB 3.5Å; R247-T251 PolarHBondContact O-N 2.8Å; R247-T251 PolarHBondContact O-OG1 3.43Å
248E98.7Very high98.1Very high85 Ų8529.9 Ų29.940%0.39715%0.154SC..Hα-helixtrans-64.4-43.9177.9-172.9-170.3165.400111.5Q241 N245 M246 F250 T251 R252Q241-E248 PolarHBondContact NE2-OE2 2.91Å; N245-E248 HydrophobicContact CB-CB 4.25Å; N245-E248 VanDerWaalsContact CG-CB 3.42Å; N245-E248 WeakPolarHBondContact ND2-CB 3.3Å; N245-E248 PolarHBondContact ND2-OE2 3.34Å; N245-E248 VanDerWaalsContact ND2-OE2 3.12Å; N245-E248 PolarHBondContact O-N 2.9Å; N245-E248 WeakPolarHBondContact OD1-CB 3.34Å; N245-E248 PolarHBondContact OD1-N 3.3Å; M246-E248 PolarHBondContact O-N 3.37Å; E248-F250 VanDerWaalsContact C-N 3.31Å; E248-F250 PolarHBondContact O-N 3.22Å; E248-T251 PolarHBondContact O-N 2.84Å; E248-R252 PolarHBondContact O-N 3.03Å; E248-R252 IonicContact OE1-NH1 2.87Å
249V98.8Very high98.1Very high0 Ų034.2 Ų34.20%017%0.173CC..Hα-helixtrans-56.2-47.1174.3174.80000111V131 S239 Q241 N245 M246 F253V131-V249 HydrophobicContact CB-CG1 4.22Å; V131-V249 HydrophobicContact CG2-CG1 3.84Å; S239-V249 VanDerWaalsContact CB-O 3.26Å; S239-V249 WeakPolarHBondContact CB-O 3.5Å; S239-V249 VanDerWaalsContact O-CG1 3.3Å; S239-V249 WeakPolarHBondContact O-CG1 3.49Å; S239-V249 PolarHBondContact OG-O 3.19Å; Q241-V249 HydrophobicContact CB-CG2 4.33Å; Q241-V249 HydrophobicContact CG-CG2 3.49Å; Q241-V249 VanDerWaalsContact CG-CG2 3.49Å; Q241-V249 VanDerWaalsContact OE1-CG2 3.3Å; N245-V249 WeakPolarHBondContact O-CG2 3.42Å; N245-V249 PolarHBondContact O-N 3.04Å; M246-V249 PolarHBondContact O-N 3.29Å; M246-V249 HydrophobicContact SD-CB 4.5Å; V249-F253 WeakPolarHBondContact O-CB 3.17Å; V249-F253 PolarHBondContact O-N 3.5Å
250F98.8Very high98Very high0 Ų034.2 Ų34.20%017%0.173CC..Hα-helixtrans-71.4-35.4-178.4-173.7-126.1000112.8A112 L115 V131 M246 R247 E248 F253 C254 L291 E346 V347 V350A112-F250 HydrophobicContact CB-CD1 3.94Å; A112-F250 HydrophobicContact CB-CE1 4.21Å; L115-F250 HydrophobicContact CB-CD1 4.39Å; L115-F250 HydrophobicContact CD2-CB 4.5Å; L115-F250 HydrophobicContact CD2-CD1 4.08Å; V131-F250 HydrophobicContact CG1-CD2 4.3Å; V131-F250 HydrophobicContact CG2-CB 4.48Å; V131-F250 HydrophobicContact CG2-CD2 4.39Å; M246-F250 WeakPolarHBondContact O-CB 3.33Å; M246-F250 PolarHBondContact O-N 2.76Å; R247-F250 PolarHBondContact O-N 3.47Å; E248-F250 VanDerWaalsContact C-N 3.31Å; E248-F250 PolarHBondContact O-N 3.22Å; F250-F253 AromaticContact CD2-CD1 3.94Å; F250-F253 HydrophobicContact CD2-CD1 3.94Å; F250-F253 AromaticContact CE2-CD1 3.95Å; F250-F253 HydrophobicContact CE2-CD1 3.95Å; F250-F253 HydrophobicContact CE2-CE1 4.38Å; F250-F253 WeakPolarHBondContact O-CB 3.41Å; F250-F253 PolarHBondContact O-N 2.93Å; F250-C254 WeakPolarHBondContact CE2-SG 3.35Å; F250-C254 WeakPolarHBondContact CZ-SG 3.28Å; F250-C254 PolarHBondContact O-N 3.41Å; F250-C254 PolarHBondContact O-SG 3.2Å; F250-L291 HydrophobicContact CE2-CD1 4.13Å; F250-E346 HydrophobicContact CE2-CB 4.07Å; F250-E346 HydrophobicContact CZ-CB 3.94Å; F250-V347 HydrophobicContact CE1-CG2 3.8Å; F250-V347 HydrophobicContact CZ-CG2 4.06Å; F250-V350 HydrophobicContact CB-CG1 4.38Å; F250-V350 HydrophobicContact CD1-CG1 4.38Å; F250-V350 HydrophobicContact CD1-CG2 4.46Å; F250-V350 HydrophobicContact CD2-CG2 3.66Å; F250-V350 HydrophobicContact CE1-CG2 4.46Å; F250-V350 HydrophobicContact CE2-CG2 3.67Å; F250-V350 HydrophobicContact CG-CG1 4.21Å; F250-V350 HydrophobicContact CG-CG2 4.07Å; F250-V350 HydrophobicContact CZ-CG2 4.09Å
251T98.8Very high98Very high45 Ų4534.6 Ų34.628%0.27617%0.174SC..Hα-helixtrans-62.5-47.1175-58.10000111.1A112 R247 E248 F253 C254 T255A112-T251 HydrophobicContact CB-CG2 4.5Å; R247-T251 WeakPolarHBondContact O-CB 3.5Å; R247-T251 PolarHBondContact O-N 2.8Å; R247-T251 PolarHBondContact O-OG1 3.43Å; E248-T251 PolarHBondContact O-N 2.84Å; T251-F253 VanDerWaalsContact C-N 3.34Å; T251-C254 PolarHBondContact O-N 3.42Å; T251-T255 WeakPolarHBondContact O-CB 3.31Å; T251-T255 PolarHBondContact O-N 3Å; T251-T255 PolarHBondContact O-OG1 3.33Å
252R98.8Very high98.1Very high20 Ų2036.5 Ų36.58%0.07519%0.186CC..Hα-helixtrans-63.8-40.3174.7-179.2169.152.9-104.1-4.4111.7L169 T224 F225 S239 M240 E248 G256L169-R252 HydrophobicContact CD2-CG 4.06Å; T224-R252 PolarHBondContact O-NE 3.1Å; T224-R252 VanDerWaalsContact O-NE 3.08Å; F225-R252 HydrophobicContact CB-CG 4.39Å; F225-R252 HydrophobicContact CD2-CG 4.39Å; S239-R252 PolarHBondContact OG-NE 3.41Å; M240-R252 PolarHBondContact O-NH2 3.49Å; E248-R252 PolarHBondContact O-N 3.03Å; E248-R252 IonicContact OE1-NH1 2.87Å; R252-G256 PolarHBondContact O-N 3.12Å
253F98.8Very high98.2Very high1 Ų130.3 Ų30.30%0.00416%0.16CC..Hα-helixtrans-58-53.5175175.1-97.2000111.8L110 V131 T133 V237 V249 F250 T251 T255 G256 L257 L291L110-F253 HydrophobicContact CD2-CD1 4.45Å; L110-F253 HydrophobicContact CD2-CE1 3.94Å; V131-F253 HydrophobicContact CB-CB 4.34Å; V131-F253 HydrophobicContact CB-CD2 4.17Å; V131-F253 HydrophobicContact CB-CG 4.14Å; V131-F253 HydrophobicContact CG1-CB 4.35Å; V131-F253 HydrophobicContact CG1-CD1 3.79Å; V131-F253 HydrophobicContact CG1-CD2 3.78Å; V131-F253 HydrophobicContact CG1-CE1 3.95Å; V131-F253 HydrophobicContact CG1-CE2 3.93Å; V131-F253 HydrophobicContact CG1-CG 3.7Å; V131-F253 HydrophobicContact CG1-CZ 4Å; T133-F253 HydrophobicContact CG2-CE2 3.8Å; T133-F253 HydrophobicContact CG2-CZ 3.48Å; T133-F253 VanDerWaalsContact CG2-CZ 3.48Å; V237-F253 HydrophobicContact CG1-CE2 4.49Å; V249-F253 WeakPolarHBondContact O-CB 3.17Å; V249-F253 PolarHBondContact O-N 3.5Å; F250-F253 AromaticContact CD2-CD1 3.94Å; F250-F253 HydrophobicContact CD2-CD1 3.94Å; F250-F253 AromaticContact CE2-CD1 3.95Å; F250-F253 HydrophobicContact CE2-CD1 3.95Å; F250-F253 HydrophobicContact CE2-CE1 4.38Å; F250-F253 WeakPolarHBondContact O-CB 3.41Å; F250-F253 PolarHBondContact O-N 2.93Å; T251-F253 VanDerWaalsContact C-N 3.34Å; F253-T255 PolarHBondContact O-N 3.31Å; F253-G256 PolarHBondContact O-N 2.95Å; F253-L257 HydrophobicContact CE1-CD2 3.81Å; F253-L257 HydrophobicContact CE2-CD2 4.34Å; F253-L257 HydrophobicContact CZ-CD2 3.65Å; F253-L257 WeakPolarHBondContact O-CB 3.22Å; F253-L257 PolarHBondContact O-N 2.88Å; F253-L291 HydrophobicContact CE1-CD1 3.95Å; F253-L291 HydrophobicContact CZ-CD1 4.33Å
254C98.6Very high98.3Very high5 Ų529.7 Ų29.73%0.03415%0.153CC..Hα-helixtrans-62.4-45.3-179-66.30000111.9L110 A112 F250 T251 T258L110-C254 HydrophobicContact CB-CB 4.48Å; L110-C254 VanDerWaalsContact O-CB 3.23Å; L110-C254 WeakPolarHBondContact O-CB 3.38Å; L110-C254 PolarHBondContact O-SG 3.43Å; L110-C254 VanDerWaalsContact O-SG 3.4Å; A112-C254 HydrophobicContact CB-CB 4.33Å; F250-C254 WeakPolarHBondContact CE2-SG 3.35Å; F250-C254 WeakPolarHBondContact CZ-SG 3.28Å; F250-C254 PolarHBondContact O-N 3.41Å; F250-C254 PolarHBondContact O-SG 3.2Å; T251-C254 PolarHBondContact O-N 3.42Å; C254-T258 WeakPolarHBondContact O-CB 3.16Å; C254-T258 PolarHBondContact O-N 2.82Å; C254-T258 PolarHBondContact O-OG1 3.49Å
255T98.4Very high98.3Very high65 Ų6534 Ų3440%0.39917%0.169SC..Hα-helixtrans-61.5-48.9178.6-58.50000111.3L169 T251 F253 K259L169-T255 HydrophobicContact CD1-CG2 4.49Å; T251-T255 WeakPolarHBondContact O-CB 3.31Å; T251-T255 PolarHBondContact O-N 3Å; T251-T255 PolarHBondContact O-OG1 3.33Å; F253-T255 PolarHBondContact O-N 3.31Å; T255-K259 HydrophobicContact CG2-CD 4.41Å; T255-K259 WeakPolarHBondContact O-CG 3.43Å; T255-K259 PolarHBondContact O-N 3.44Å; T255-K259 VanDerWaalsContact O-N 3.1Å
256G98.4Very high98.1Very high0 Ų038.3 Ų38.30%019%0.193CC..Hα-helixtrans-66.9-43-178.700000112.4R252 F253 K259 I260R252-G256 PolarHBondContact O-N 3.12Å; F253-G256 PolarHBondContact O-N 2.95Å; G256-K259 PolarHBondContact O-N 3.1Å; G256-I260 VanDerWaalsContact O-CG1 3.27Å; G256-I260 WeakPolarHBondContact O-CG1 3.24Å; G256-I260 PolarHBondContact O-N 3.19Å
257L98Very high98Very high0 Ų043.7 Ų43.70%021%0.213CC..Hα-helixtrans-65.5-42.1179.4-173.760.3000112.3L110 T133 R135 V237 F253 I260 E261L110-L257 HydrophobicContact CD1-CD2 4Å; L110-L257 HydrophobicContact CD1-CG 4.5Å; L110-L257 HydrophobicContact CD2-CD2 4.09Å; T133-L257 HydrophobicContact CG2-CD1 4.22Å; T133-L257 HydrophobicContact CG2-CD2 3.8Å; R135-L257 HydrophobicContact CG-CD1 4.11Å; V237-L257 HydrophobicContact CB-CD1 4.14Å; V237-L257 HydrophobicContact CG1-CD1 4.18Å; V237-L257 HydrophobicContact CG2-CD1 3.91Å; F253-L257 HydrophobicContact CE1-CD2 3.81Å; F253-L257 HydrophobicContact CE2-CD2 4.34Å; F253-L257 HydrophobicContact CZ-CD2 3.65Å; F253-L257 WeakPolarHBondContact O-CB 3.22Å; F253-L257 PolarHBondContact O-N 2.88Å; L257-I260 PolarHBondContact O-N 3.41Å; L257-E261 WeakPolarHBondContact O-CB 3.28Å; L257-E261 PolarHBondContact O-N 3.44Å
258T97.6Very high97.9Very high58 Ų5844.2 Ų44.236%0.35624%0.236SC..Hα-helixtrans-61-46.7175.2-55.30000110.8C254 I260 E261 D262C254-T258 WeakPolarHBondContact O-CB 3.16Å; C254-T258 PolarHBondContact O-N 2.82Å; C254-T258 PolarHBondContact O-OG1 3.49Å; T258-I260 PolarHBondContact O-N 2.99Å; T258-E261 PolarHBondContact O-N 3.27Å; T258-D262 PolarHBondContact O-N 3.36Å
259K98.3Very high97.9Very high91 Ų9142.5 Ų42.540%0.39623%0.228SC..Hα-helixtrans-60.7-43.4176.4-77.1179.7173.4-171.30112.7L165 L169 T255 G256 D262 L263L165-K259 HydrophobicContact CD2-CB 3.94Å; L165-K259 HydrophobicContact CD2-CD 4.41Å; L169-K259 HydrophobicContact CD1-CD 3.79Å; T255-K259 HydrophobicContact CG2-CD 4.41Å; T255-K259 WeakPolarHBondContact O-CG 3.43Å; T255-K259 PolarHBondContact O-N 3.44Å; T255-K259 VanDerWaalsContact O-N 3.1Å; G256-K259 PolarHBondContact O-N 3.1Å; K259-D262 PolarHBondContact O-N 2.82Å; K259-L263 WeakPolarHBondContact O-CB 3.37Å; K259-L263 WeakPolarHBondContact O-CD1 3.48Å; K259-L263 WeakPolarHBondContact O-CG 3.46Å; K259-L263 PolarHBondContact O-N 3.12Å
260I98.1Very high97.8Very high0 Ų047.4 Ų47.40%025%0.251CS..Hα-helixtrans-60.1-48.9176.1-71.4168.8000109.6L162 L165 F225 V227 V237 G256 L257 T258 D262 L263 F264 F271L162-I260 HydrophobicContact CD2-CD1 3.73Å; L162-I260 HydrophobicContact CD2-CG1 3.92Å; L165-I260 HydrophobicContact CD1-CG1 4.21Å; F225-I260 HydrophobicContact CE1-CD1 3.82Å; F225-I260 HydrophobicContact CZ-CD1 3.85Å; V227-I260 HydrophobicContact CG2-CD1 3.95Å; V237-I260 HydrophobicContact CG1-CD1 4.24Å; V237-I260 HydrophobicContact CG2-CD1 4.18Å; G256-I260 VanDerWaalsContact O-CG1 3.27Å; G256-I260 WeakPolarHBondContact O-CG1 3.24Å; G256-I260 PolarHBondContact O-N 3.19Å; L257-I260 PolarHBondContact O-N 3.41Å; T258-I260 PolarHBondContact O-N 2.99Å; I260-D262 VanDerWaalsContact C-N 3.35Å; I260-D262 PolarHBondContact O-N 3.43Å; I260-L263 PolarHBondContact O-N 3.46Å; I260-L263 VanDerWaalsContact O-N 3.16Å; I260-F264 HydrophobicContact CG2-CD2 3.72Å; I260-F264 HydrophobicContact CG2-CE2 3.75Å; I260-F264 WeakPolarHBondContact O-CD2 3.35Å; I260-F264 PolarHBondContact O-N 2.74Å; I260-F271 HydrophobicContact CG2-CZ 4.02Å
261E97.6Very high97.8Very high29 Ų2947.7 Ų47.714%0.13625%0.252CS..Hα-helixtrans-59.6-44180-169.7168.8150.300112.2L257 T258 L263 F264 K265 F271 Y279L257-E261 WeakPolarHBondContact O-CB 3.28Å; L257-E261 PolarHBondContact O-N 3.44Å; T258-E261 PolarHBondContact O-N 3.27Å; E261-L263 VanDerWaalsContact C-N 3.33Å; E261-L263 PolarHBondContact O-N 2.87Å; E261-F264 PolarHBondContact O-N 3.5Å; E261-K265 HydrophobicContact CG-CD 4.31Å; E261-K265 WeakPolarHBondContact O-CB 3.41Å; E261-K265 WeakPolarHBondContact O-CG 3.48Å; E261-K265 PolarHBondContact O-N 2.64Å; E261-K265 VanDerWaalsContact OE1-CE 3.25Å; E261-K265 WeakPolarHBondContact OE1-CE 3.35Å; E261-K265 IonicContact OE1-NZ 3.35Å; E261-K265 PolarHBondContact OE1-NZ 3.02Å; E261-F271 HydrophobicContact CB-CD2 4.16Å; E261-F271 HydrophobicContact CB-CE2 3.71Å; E261-F271 HydrophobicContact CG-CD2 3.71Å; E261-F271 HydrophobicContact CG-CE2 3.78Å; E261-Y279 PolarHBondContact OE2-OH 2.83Å
262D97.9Very high97.8Very high78 Ų7845.7 Ų45.742%0.41724%0.24SC..Hα-helixtrans-62-39.9175.7-70.5-21.1000112.1T258 K259 I260 K265 N266T258-D262 PolarHBondContact O-N 3.36Å; K259-D262 PolarHBondContact O-N 2.82Å; I260-D262 VanDerWaalsContact C-N 3.35Å; I260-D262 PolarHBondContact O-N 3.43Å; D262-K265 PolarHBondContact O-N 2.8Å; D262-N266 WeakPolarHBondContact O-CB 3.5Å; D262-N266 PolarHBondContact O-N 3.32Å; D262-N266 PolarHBondContact O-ND2 2.9Å; D262-N266 VanDerWaalsContact O-ND2 3.1Å
263L97.8Very high97.8Very high35 Ų3549.6 Ų49.618%0.18326%0.255CS..Hα-helixtrans-66.1-40.2177.6-73.2164.3000112.2A161 L165 K259 I260 E261 R267A161-L263 HydrophobicContact CB-CB 4.15Å; A161-L263 WeakPolarHBondContact O-CD1 3.31Å; L165-L263 HydrophobicContact CD2-CD1 3.83Å; L165-L263 HydrophobicContact CG-CD1 4.36Å; K259-L263 WeakPolarHBondContact O-CB 3.37Å; K259-L263 WeakPolarHBondContact O-CD1 3.48Å; K259-L263 WeakPolarHBondContact O-CG 3.46Å; K259-L263 PolarHBondContact O-N 3.12Å; I260-L263 PolarHBondContact O-N 3.46Å; I260-L263 VanDerWaalsContact O-N 3.16Å; E261-L263 VanDerWaalsContact C-N 3.33Å; E261-L263 PolarHBondContact O-N 2.87Å; L263-R267 WeakPolarHBondContact O-CG 3.4Å; L263-R267 PolarHBondContact O-N 2.82Å
264F97.6Very high97.8Very high3 Ų351.8 Ų51.81%0.01327%0.266CS..Hα-helixtrans-64-47.4172.3-87.8-85.3000111.1I137 L157 A161 L235 I260 E261 N266 R267 G268 H269 F271I137-F264 HydrophobicContact CD1-CD1 4.39Å; I137-F264 HydrophobicContact CD1-CE1 3.49Å; I137-F264 VanDerWaalsContact CD1-CE1 3.49Å; I137-F264 HydrophobicContact CD1-CZ 3.94Å; I137-F264 HydrophobicContact CG1-CD1 4.3Å; I137-F264 HydrophobicContact CG1-CE1 3.83Å; I137-F264 HydrophobicContact CG1-CZ 4.37Å; L157-F264 HydrophobicContact CB-CE1 4.09Å; A161-F264 HydrophobicContact CB-CD2 4.04Å; A161-F264 HydrophobicContact CB-CE2 3.79Å; A161-F264 HydrophobicContact CB-CZ 4.25Å; L235-F264 HydrophobicContact CD1-CE2 3.73Å; L235-F264 HydrophobicContact CD1-CZ 3.88Å; I260-F264 HydrophobicContact CG2-CD2 3.72Å; I260-F264 HydrophobicContact CG2-CE2 3.75Å; I260-F264 WeakPolarHBondContact O-CD2 3.35Å; I260-F264 PolarHBondContact O-N 2.74Å; E261-F264 PolarHBondContact O-N 3.5Å; F264-N266 PolarHBondContact O-N 3.42Å; F264-R267 CarbonylContact O-C 3.58Å; F264-R267 WeakPolarHBondContact O-CA 3.4Å; F264-R267 WeakPolarHBondContact O-CB 3.35Å; F264-R267 PolarHBondContact O-N 2.89Å; F264-G268 PolarHBondContact O-N 3Å; F264-H269 CarbonylContact C-O 3.44Å; F264-H269 HydrophobicContact CB-CB 4.48Å; F264-H269 HydrophobicContact CD1-CB 4.01Å; F264-H269 PolarHBondContact O-N 3.46Å; F264-F271 HydrophobicContact CD2-CE1 4.01Å; F264-F271 AromaticContact CD2-CZ 3.82Å; F264-F271 HydrophobicContact CD2-CZ 3.82Å; F264-F271 HydrophobicContact CE2-CE1 4.3Å; F264-F271 HydrophobicContact CE2-CZ 4.26Å; F264-F271 HydrophobicContact CG-CE1 4.13Å; F264-F271 HydrophobicContact CG-CZ 4.25Å
265K96.5Very high97.8Very high96 Ų9656.5 Ų56.542%0.41729%0.288SS..Hα-helixtrans-58.9-44.6178.7-76.9175.7-177.7165.10112.3E261 D262 R267 G268 H269E261-K265 HydrophobicContact CG-CD 4.31Å; E261-K265 WeakPolarHBondContact O-CB 3.41Å; E261-K265 WeakPolarHBondContact O-CG 3.48Å; E261-K265 PolarHBondContact O-N 2.64Å; E261-K265 VanDerWaalsContact OE1-CE 3.25Å; E261-K265 WeakPolarHBondContact OE1-CE 3.35Å; E261-K265 IonicContact OE1-NZ 3.35Å; E261-K265 PolarHBondContact OE1-NZ 3.02Å; D262-K265 PolarHBondContact O-N 2.8Å; K265-R267 PolarHBondContact O-N 3.39Å; K265-R267 VanDerWaalsContact O-N 3.14Å; K265-G268 PolarHBondContact O-N 3.49Å; K265-H269 VanDerWaalsContact CA-O 3.3Å; K265-H269 WeakPolarHBondContact CA-O 3.38Å; K265-H269 PolarHBondContact N-O 3.43Å; K265-H269 VanDerWaalsContact N-O 3.11Å
266N96.1Very high97.8Very high136 Ų13655.3 Ų55.373%0.72728%0.278SS*.Hα-helixtrans-62.4-20.1177.2-72.1-27.3000113.2D262 F264D262-N266 WeakPolarHBondContact O-CB 3.5Å; D262-N266 PolarHBondContact O-N 3.32Å; D262-N266 PolarHBondContact O-ND2 2.9Å; D262-N266 VanDerWaalsContact O-ND2 3.1Å; F264-N266 PolarHBondContact O-N 3.42Å
267R95.2Very high97.8Very high113 Ų11355.6 Ų55.643%0.42628%0.279SS..THydrogen-bonded Turntrans-95.67.5174.5-65.2-177.1-175.3-61.60.1113.3S164 L263 F264 K265 H269S164-R267 PolarHBondContact OG-NH2 2.92Å; L263-R267 WeakPolarHBondContact O-CG 3.4Å; L263-R267 PolarHBondContact O-N 2.82Å; F264-R267 CarbonylContact O-C 3.58Å; F264-R267 WeakPolarHBondContact O-CA 3.4Å; F264-R267 WeakPolarHBondContact O-CB 3.35Å; F264-R267 PolarHBondContact O-N 2.89Å; K265-R267 PolarHBondContact O-N 3.39Å; K265-R267 VanDerWaalsContact O-N 3.14Å; R267-H269 PolarHBondContact O-CD2 3.36Å; R267-H269 VanDerWaalsContact O-CD2 3.3Å
268G97.3Very high97.8Very high68 Ų6855.6 Ų55.670%0.70128%0.279SS*.THydrogen-bonded Turntrans78.919.7179.400000114.1F264 K265F264-G268 PolarHBondContact O-N 3Å; K265-G268 PolarHBondContact O-N 3.49Å
269H97.7Very high97.9Very high50 Ų5053.4 Ų53.423%0.23127%0.265CS..  trans-118.2133.2178.2-64-71.4000110.5I137 L157 F264 K265 R267I137-H269 HydrophobicContact CG2-CB 4.17Å; L157-H269 VanDerWaalsContact CD2-NE2 3.34Å; L157-H269 WeakPolarHBondContact CD2-NE2 2.96Å; F264-H269 CarbonylContact C-O 3.44Å; F264-H269 HydrophobicContact CB-CB 4.48Å; F264-H269 HydrophobicContact CD1-CB 4.01Å; F264-H269 PolarHBondContact O-N 3.46Å; K265-H269 VanDerWaalsContact CA-O 3.3Å; K265-H269 WeakPolarHBondContact CA-O 3.38Å; K265-H269 PolarHBondContact N-O 3.43Å; K265-H269 VanDerWaalsContact N-O 3.11Å; R267-H269 PolarHBondContact O-CD2 3.36Å; R267-H269 VanDerWaalsContact O-CD2 3.3Å
270E97.7Very high97.9Very high102 Ų10249.1 Ų49.148%0.47725%0.246SC..  trans-110.9159176.6-63.2-176.6153.400110.4R138R138-E270 WeakPolarHBondContact CB-O 3.26Å; R138-E270 PolarHBondContact N-O 3.5Å; R138-E270 IonicContact NH1-OE2 2.71Å; R138-E270 PolarHBondContact NH1-OE2 2.83Å
271F98.6Very high97.9Very high7 Ų749.1 Ų49.13%0.03125%0.246CC..BIsolated β-bridgetrans-79.7146165.4-64.5-41.6000110.8R135 S136 I137 L235 I260 E261 F264 W273 Y279R135-F271 HydrophobicContact CB-CD1 3.76Å; R135-F271 HydrophobicContact CB-CD2 4.16Å; R135-F271 HydrophobicContact CB-CE1 3.71Å; R135-F271 HydrophobicContact CB-CE2 4.09Å; R135-F271 HydrophobicContact CB-CG 4Å; R135-F271 HydrophobicContact CB-CZ 3.87Å; R135-F271 HydrophobicContact CG-CD1 4.38Å; R135-F271 HydrophobicContact CG-CD2 3.87Å; R135-F271 HydrophobicContact CG-CE1 4.3Å; R135-F271 HydrophobicContact CG-CE2 3.75Å; R135-F271 HydrophobicContact CG-CG 4.19Å; R135-F271 HydrophobicContact CG-CZ 3.97Å; S136-F271 CarbonylContact O-C 3.58Å; S136-F271 WeakPolarHBondContact O-CA 3.44Å; S136-F271 WeakPolarHBondContact O-CD1 3.16Å; I137-F271 HydrophobicContact CG1-CD1 4.35Å; I137-F271 HydrophobicContact CG1-CE1 4.23Å; L235-F271 HydrophobicContact CD1-CE1 3.88Å; L235-F271 HydrophobicContact CD1-CZ 4.05Å; I260-F271 HydrophobicContact CG2-CZ 4.02Å; E261-F271 HydrophobicContact CB-CD2 4.16Å; E261-F271 HydrophobicContact CB-CE2 3.71Å; E261-F271 HydrophobicContact CG-CD2 3.71Å; E261-F271 HydrophobicContact CG-CE2 3.78Å; F264-F271 HydrophobicContact CD2-CE1 4.01Å; F264-F271 AromaticContact CD2-CZ 3.82Å; F264-F271 HydrophobicContact CD2-CZ 3.82Å; F264-F271 HydrophobicContact CE2-CE1 4.3Å; F264-F271 HydrophobicContact CE2-CZ 4.26Å; F264-F271 HydrophobicContact CG-CE1 4.13Å; F264-F271 HydrophobicContact CG-CZ 4.25Å; F271-W273 PolarHBondContact O-N 2.97Å; F271-W273 VanDerWaalsContact O-N 3.16Å; F271-Y279 HydrophobicContact CB-CD1 4.06Å; F271-Y279 HydrophobicContact CB-CE1 4.02Å; F271-Y279 HydrophobicContact CD2-CE1 4.2Å
272M98.8Very high98Very high2 Ų247.8 Ų47.81%0.0124%0.24CC..  trans-62.7115.3171.6-60.6178.317700108.8E79 S136 I137 R138 F140 L142 Y279 V280E79-M272 HydrophobicContact CB-CE 4.18Å; E79-M272 HydrophobicContact CB-CG 4.25Å; E79-M272 HydrophobicContact CB-SD 3.85Å; E79-M272 HydrophobicContact CG-CB 4.2Å; E79-M272 HydrophobicContact CG-CG 4.22Å; E79-M272 HydrophobicContact CG-SD 4.29Å; E79-M272 WeakPolarHBondContact OE1-CA 3.49Å; S136-M272 WeakPolarHBondContact CB-SD 3.42Å; S136-M272 PolarHBondContact O-N 3.47Å; I137-M272 WeakPolarHBondContact O-CE 3.41Å; R138-M272 HydrophobicContact CB-CG 4.11Å; F140-M272 WeakPolarHBondContact O-CE 3.5Å; L142-M272 HydrophobicContact CD2-CE 4.06Å; L142-M272 HydrophobicContact CD2-SD 3.88Å; L142-M272 HydrophobicContact CG-CE 4.49Å; M272-Y279 WeakPolarHBondContact O-CA 3.45Å; M272-V280 HydrophobicContact CB-CB 3.77Å; M272-V280 HydrophobicContact CB-CG2 4.42Å; M272-V280 PolarHBondContact O-N 2.96Å; M272-V280 HydrophobicContact SD-CG1 4.37Å
273W98.7Very high98Very high103 Ų10345 Ų4539%0.3923%0.226SC..EExtended strand (participates in β ladder)trans-154.7140.3-177.3-178.698.9000111E79 R138 F271 E275 G278 Y279E79-W273 PolarHBondContact OE1-N 2.93Å; R138-W273 PolarHBondContact NH2-O 2.75Å; F271-W273 PolarHBondContact O-N 2.97Å; F271-W273 VanDerWaalsContact O-N 3.16Å; W273-E275 HydrophobicContact CH2-CB 4.35Å; W273-G278 VanDerWaalsContact CA-O 3.23Å; W273-G278 WeakPolarHBondContact CA-O 3.46Å; W273-Y279 HydrophobicContact CB-CD1 4.16Å; W273-Y279 HydrophobicContact CB-CE1 4.46Å; W273-Y279 AromaticContact CD1-CD1 3.86Å; W273-Y279 AromaticContact CD1-CD2 3.84Å; W273-Y279 AromaticContact CD1-CE2 3.97Å; W273-Y279 AromaticContact CD1-CG 3.8Å; W273-Y279 HydrophobicContact CG-CD1 4.42Å
274N98.5Very high98Very high46 Ų4643.4 Ų43.425%0.24622%0.218CC..EExtended strand (participates in β ladder)trans-142.1165.8167.470.459.2000111.4H276 L277 G278N274-H276 VanDerWaalsContact C-N 3.28Å; N274-H276 PolarHBondContact O-N 2.99Å; N274-H276 PolarHBondContact OD1-N 3.05Å; N274-L277 PolarHBondContact OD1-N 3.21Å; N274-G278 PolarHBondContact N-O 3.36Å; N274-G278 VanDerWaalsContact O-CA 3.29Å; N274-G278 WeakPolarHBondContact O-CA 3.18Å; N274-G278 PolarHBondContact O-N 2.63Å
275E98.2Very high97.9Very high104 Ų10444.2 Ų44.249%0.48622%0.224SC..THydrogen-bonded Turntrans-63.9-30.9-174-169.6-176.1-148.800113.3K105 H106 W273K105-E275 HydrophobicContact CB-CG 4.43Å; K105-E275 HydrophobicContact CD-CG 3.96Å; K105-E275 WeakPolarHBondContact CD-OE1 3.46Å; K105-E275 VanDerWaalsContact CE-CD 3.41Å; K105-E275 WeakPolarHBondContact CE-OE1 3.41Å; K105-E275 WeakPolarHBondContact CE-OE2 3.32Å; K105-E275 HydrophobicContact CG-CG 4.18Å; K105-E275 IonicContact NZ-OE1 3.83Å; K105-E275 PolarHBondContact NZ-OE1 3.1Å; K105-E275 IonicContact NZ-OE2 3.82Å; K105-E275 PolarHBondContact NZ-OE2 3.49Å; H106-E275 PolarHBondContact N-O 3.3Å; W273-E275 HydrophobicContact CH2-CB 4.35Å
276H98.5Very high98Very high41 Ų4140.5 Ų40.519%0.1921%0.209CC..THydrogen-bonded Turntrans-81.8-49.6-177.1174.950.6000112Y100 K101 P102 D104 N274Y100-H276 AromaticContact CE1-CE1 3.42Å; Y100-H276 VanDerWaalsContact CE1-CE1 3.42Å; Y100-H276 WeakPolarHBondContact CE1-CE1 3.38Å; Y100-H276 AromaticContact CE1-ND1 3.77Å; Y100-H276 WeakPolarHBondContact CE1-O 3.42Å; Y100-H276 PolarHBondContact OH-O 3.15Å; K101-H276 PolarHBondContact O-CE1 3.31Å; K101-H276 VanDerWaalsContact O-CE1 3.25Å; P102-H276 PolarHBondContact O-CE1 3.44Å; P102-H276 PolarHBondContact O-ND1 2.92Å; D104-H276 PolarHBondContact O-ND1 3.03Å; N274-H276 VanDerWaalsContact C-N 3.28Å; N274-H276 PolarHBondContact O-N 2.99Å; N274-H276 PolarHBondContact OD1-N 3.05Å
277L98.6Very high98.1Very high6 Ų634 Ų343%0.03117%0.174CC..THydrogen-bonded Turntrans-96.1-8.3-172.9-60.2-176.1000113.7Y82 I93 N274 L287 G288 L342Y82-L277 HydrophobicContact CD1-CD1 3.84Å; Y82-L277 HydrophobicContact CD2-CD1 4.45Å; Y82-L277 HydrophobicContact CG-CD1 3.75Å; I93-L277 HydrophobicContact CD1-CD2 3.97Å; N274-L277 PolarHBondContact OD1-N 3.21Å; L277-L287 HydrophobicContact CB-CD2 4.37Å; L277-L287 HydrophobicContact CD2-CD1 4.21Å; L277-G288 WeakPolarHBondContact O-CA 3.31Å; L277-G288 PolarHBondContact O-N 3.35Å; L277-L342 WeakPolarHBondContact O-CD1 3.49Å
278G98.7Very high98.2Very high0 Ų028.6 Ų28.60%015%0.154CC..EExtended strand (participates in β ladder)trans63.3-138.5-169.400000111H106 W273 N274H106-G278 WeakPolarHBondContact CD2-CA 3.3Å; W273-G278 VanDerWaalsContact CA-O 3.23Å; W273-G278 WeakPolarHBondContact CA-O 3.46Å; N274-G278 PolarHBondContact N-O 3.36Å; N274-G278 VanDerWaalsContact O-CA 3.29Å; N274-G278 WeakPolarHBondContact O-CA 3.18Å; N274-G278 PolarHBondContact O-N 2.63Å
279Y98.8Very high98.3Very high12 Ų1225.4 Ų25.45%0.04712%0.12CC..EExtended strand (participates in β ladder)trans-72.7130176.1-66.4-83000110.8T108 R135 E261 F271 M272 W273 G288T108-Y279 HydrophobicContact CG2-CE2 4.42Å; R135-Y279 VanDerWaalsContact CD-CD1 3.43Å; R135-Y279 VanDerWaalsContact CZ-CD2 3.44Å; R135-Y279 VanDerWaalsContact CZ-CE2 3.46Å; R135-Y279 VanDerWaalsContact NE-CE1 3.29Å; R135-Y279 VanDerWaalsContact NH2-CZ 3.32Å; E261-Y279 PolarHBondContact OE2-OH 2.83Å; F271-Y279 HydrophobicContact CB-CD1 4.06Å; F271-Y279 HydrophobicContact CB-CE1 4.02Å; F271-Y279 HydrophobicContact CD2-CE1 4.2Å; M272-Y279 WeakPolarHBondContact O-CA 3.45Å; W273-Y279 HydrophobicContact CB-CD1 4.16Å; W273-Y279 HydrophobicContact CB-CE1 4.46Å; W273-Y279 AromaticContact CD1-CD1 3.86Å; W273-Y279 AromaticContact CD1-CD2 3.84Å; W273-Y279 AromaticContact CD1-CE2 3.97Å; W273-Y279 AromaticContact CD1-CG 3.8Å; W273-Y279 HydrophobicContact CG-CD1 4.42Å; Y279-G288 WeakPolarHBondContact CB-O 3.5Å; Y279-G288 PolarHBondContact N-O 2.8Å; Y279-G288 PolarHBondContact O-N 3.09Å
280V98.8Very high98.3Very high1 Ų123 Ų231%0.00611%0.11CC..  trans-88.7130.1-178.31770000110.1Y82 S136 M272Y82-V280 HydrophobicContact CD2-CG1 3.6Å; Y82-V280 HydrophobicContact CE2-CG1 3.44Å; Y82-V280 VanDerWaalsContact CE2-CG1 3.44Å; S136-V280 VanDerWaalsContact CB-O 3.3Å; S136-V280 WeakPolarHBondContact CB-O 3.29Å; S136-V280 PolarHBondContact OG-O 3.39Å; S136-V280 VanDerWaalsContact OG-O 3.07Å; M272-V280 HydrophobicContact CB-CB 3.77Å; M272-V280 HydrophobicContact CB-CG2 4.42Å; M272-V280 PolarHBondContact O-N 2.96Å; M272-V280 HydrophobicContact SD-CG1 4.37Å
281L98.8Very high98.3Very high0 Ų018.2 Ų18.20%09%0.087CC..  trans-133.8169.7179.4-67.2-175.6000110.9Y82 G134 D233 C283 N286Y82-L281 PolarHBondContact OH-O 2.58Å; G134-L281 VanDerWaalsContact C-CD2 3.43Å; D233-L281 HydrophobicContact CB-CD2 4.05Å; D233-L281 WeakPolarHBondContact OD1-CB 3.28Å; L281-C283 PolarHBondContact O-N 2.79Å; L281-N286 HydrophobicContact CB-CB 4.13Å; L281-N286 HydrophobicContact CD1-CB 3.77Å; L281-N286 WeakPolarHBondContact CD1-O 3.38Å
282T98.8Very high98.3Very high1 Ų118.8 Ų18.81%0.0069%0.089CC..SBendtrans-57.7-47.9-175.9-57.20000113.1V75 A76 P143 P144 M207 E232 D233V75-T282 CarbonylContact C-O 3.58Å; V75-T282 WeakPolarHBondContact CA-O 3.31Å; V75-T282 HydrophobicContact CB-CG2 4.03Å; V75-T282 HydrophobicContact CG1-CG2 4.09Å; A76-T282 PolarHBondContact N-O 2.85Å; P143-T282 WeakPolarHBondContact CD-OG1 3.46Å; P144-T282 HydrophobicContact CG-CG2 3.4Å; P144-T282 VanDerWaalsContact CG-CG2 3.4Å; M207-T282 HydrophobicContact CE-CG2 3.84Å; M207-T282 HydrophobicContact SD-CG2 3.96Å; E232-T282 WeakPolarHBondContact O-CB 3.25Å; E232-T282 PolarHBondContact O-OG1 3.4Å; D233-T282 WeakPolarHBondContact OD1-CB 3.3Å; D233-T282 PolarHBondContact OD1-N 2.84Å; D233-T282 PolarHBondContact OD1-OG1 3.05Å; D233-T282 VanDerWaalsContact OD1-OG1 3.08Å
283C98.1Very high98.2Very high20 Ų2018.7 Ų18.714%0.1359%0.089CC..SBendtrans-99.4130.7-176.2-177.80000110.1L281 S285 N286L281-C283 PolarHBondContact O-N 2.79Å; C283-S285 PolarHBondContact O-N 3.08Å; C283-S285 PolarHBondContact SG-OG 3.43Å; C283-N286 PolarHBondContact O-N 3.47Å
284P98.1Very high98.2Very high0 Ų014.1 Ų14.10%07%0.073CC..G310 helixtrans-53.6-29177.4-29.234.8000113.8V72 C74 Y82 M89 V92 I93 H97 N286 L287V72-P284 HydrophobicContact CG1-CB 3.97Å; V72-P284 HydrophobicContact CG1-CG 3.82Å; C74-P284 WeakPolarHBondContact O-CD 3.44Å; Y82-P284 HydrophobicContact CE1-CG 4.27Å; M89-P284 HydrophobicContact CE-CG 3.72Å; V92-P284 HydrophobicContact CG1-CB 4.48Å; I93-P284 HydrophobicContact CG1-CB 4.11Å; H97-P284 PolarHBondContact NE2-O 2.81Å; P284-N286 PolarHBondContact O-N 2.89Å; P284-N286 VanDerWaalsContact O-N 3.17Å; P284-L287 HydrophobicContact CB-CD1 4.32Å; P284-L287 WeakPolarHBondContact O-CG 3.36Å; P284-L287 PolarHBondContact O-N 3.23Å
285S95.6Very high98.2Very high21 Ų2112 Ų1215%0.1476%0.062CC..G310 helixtrans-64.4-16.8175.872.80000114.8H97 C283 R341H97-S285 PolarHBondContact CE1-O 2.98Å; C283-S285 PolarHBondContact O-N 3.08Å; C283-S285 PolarHBondContact SG-OG 3.43Å; S285-R341 WeakPolarHBondContact O-CG 3.48Å
286N97.6Very high98.1Very high17 Ų178.7 Ų8.79%0.0915%0.046CC..G310 helixtrans-106.28.8-177.5-62.1-42.5000112.8E232 R236 L281 C283 P284 G290E232-N286 PolarHBondContact OE1-ND2 3.21Å; E232-N286 VanDerWaalsContact OE1-ND2 3.1Å; R236-N286 PolarHBondContact NH2-ND2 3.04Å; R236-N286 VanDerWaalsContact NH2-ND2 3.19Å; L281-N286 HydrophobicContact CB-CB 4.13Å; L281-N286 HydrophobicContact CD1-CB 3.77Å; L281-N286 WeakPolarHBondContact CD1-O 3.38Å; C283-N286 PolarHBondContact O-N 3.47Å; P284-N286 PolarHBondContact O-N 2.89Å; P284-N286 VanDerWaalsContact O-N 3.17Å; N286-G290 WeakPolarHBondContact O-CA 3.4Å; N286-G290 PolarHBondContact O-N 3.23Å
287L98.6Very high98Very high0 Ų06.8 Ų6.80%04%0.037CC..  trans-63.6172.6174.1-67.9169.5000112.9Y82 I93 L277 P284 T289 G290 R341 L342Y82-L287 HydrophobicContact CD1-CD1 4.35Å; Y82-L287 HydrophobicContact CE1-CD1 3.64Å; Y82-L287 HydrophobicContact CE1-CD2 4.06Å; Y82-L287 HydrophobicContact CE1-CG 4.28Å; Y82-L287 HydrophobicContact CE2-CD2 4.15Å; I93-L287 HydrophobicContact CD1-CD1 3.56Å; I93-L287 HydrophobicContact CG1-CD1 3.79Å; L277-L287 HydrophobicContact CB-CD2 4.37Å; L277-L287 HydrophobicContact CD2-CD1 4.21Å; P284-L287 HydrophobicContact CB-CD1 4.32Å; P284-L287 WeakPolarHBondContact O-CG 3.36Å; P284-L287 PolarHBondContact O-N 3.23Å; L287-T289 PolarHBondContact O-N 3.25Å; L287-G290 PolarHBondContact O-N 3.49Å; L287-R341 CarbonylContact O-C 2.96Å; L287-R341 WeakPolarHBondContact O-CB 3.47Å; L287-L342 HydrophobicContact CB-CD2 4.28Å
288G98.6Very high98Very high0 Ų010.8 Ų10.80%06%0.055CC..BIsolated β-bridgetrans78.9-113.5178.600000110.7H106 L277 Y279 G290 L342H106-G288 VanDerWaalsContact CE1-CA 3.46Å; H106-G288 WeakPolarHBondContact CE1-CA 3.22Å; H106-G288 WeakPolarHBondContact NE2-CA 3.32Å; L277-G288 WeakPolarHBondContact O-CA 3.31Å; L277-G288 PolarHBondContact O-N 3.35Å; Y279-G288 WeakPolarHBondContact CB-O 3.5Å; Y279-G288 PolarHBondContact N-O 2.8Å; Y279-G288 PolarHBondContact O-N 3.09Å; G288-G290 VanDerWaalsContact C-N 3.3Å; G288-L342 VanDerWaalsContact CA-CD1 3.47Å
289T98.6Very high97.9Very high0 Ų010.8 Ų10.80%06%0.055CC..THydrogen-bonded Turntrans-75.1-24.2175.758.40000112.5H106 T133 R135 L287 L291 R341 F344 E346 L349H106-T289 PolarHBondContact CE1-N 2.6Å; H106-T289 PolarHBondContact NE2-N 2.96Å; T133-T289 PolarHBondContact OG1-O 3.39Å; R135-T289 PolarHBondContact NH1-O 3.25Å; L287-T289 PolarHBondContact O-N 3.25Å; T289-L291 PolarHBondContact O-N 2.87Å; T289-L291 VanDerWaalsContact OG1-CB 3.32Å; T289-L291 WeakPolarHBondContact OG1-CB 3.28Å; T289-L291 PolarHBondContact OG1-N 2.89Å; T289-R341 PolarHBondContact N-O 3.27Å; T289-R341 PolarHBondContact OG1-O 3.12Å; T289-F344 WeakPolarHBondContact CG2-O 3.5Å; T289-E346 HydrophobicContact CG2-CG 3.74Å; T289-L349 HydrophobicContact CG2-CD1 3.89Å; T289-L349 VanDerWaalsContact OG1-CD1 3.22Å; T289-L349 WeakPolarHBondContact OG1-CD1 3.49Å
290G97.6Very high97.8Very high1 Ų112 Ų121%0.016%0.064CC..  trans57.59.9-162.100000114.3T133 N286 L287 G288T133-G290 WeakPolarHBondContact CA-O 3.32Å; T133-G290 VanDerWaalsContact OG1-C 3.3Å; T133-G290 WeakPolarHBondContact OG1-CA 3.27Å; T133-G290 PolarHBondContact OG1-O 3.33Å; N286-G290 WeakPolarHBondContact O-CA 3.4Å; N286-G290 PolarHBondContact O-N 3.23Å; L287-G290 PolarHBondContact O-N 3.49Å; G288-G290 VanDerWaalsContact C-N 3.3Å
291L98.3Very high97.7Very high0 Ų014.9 Ų14.90%08%0.079CC..  trans-83.2125.9-164.9-177.4149.1000111.7V131 R132 F250 F253 T289 A293 N338 R341 E346 L349 V350V131-L291 HydrophobicContact CG1-CD1 3.76Å; V131-L291 HydrophobicContact CG1-CD2 4.49Å; V131-L291 HydrophobicContact CG1-CG 3.97Å; R132-L291 CarbonylContact O-C 3.53Å; R132-L291 VanDerWaalsContact O-CA 3.28Å; R132-L291 WeakPolarHBondContact O-CA 3.37Å; F250-L291 HydrophobicContact CE2-CD1 4.13Å; F253-L291 HydrophobicContact CE1-CD1 3.95Å; F253-L291 HydrophobicContact CZ-CD1 4.33Å; T289-L291 PolarHBondContact O-N 2.87Å; T289-L291 VanDerWaalsContact OG1-CB 3.32Å; T289-L291 WeakPolarHBondContact OG1-CB 3.28Å; T289-L291 PolarHBondContact OG1-N 2.89Å; L291-A293 HydrophobicContact CD2-CB 3.71Å; L291-N338 PolarHBondContact O-ND2 3.26Å; L291-R341 WeakPolarHBondContact O-CD 3.47Å; L291-R341 PolarHBondContact O-NE 3.12Å; L291-E346 HydrophobicContact CB-CG 4.37Å; L291-E346 HydrophobicContact CD1-CB 3.59Å; L291-E346 HydrophobicContact CD1-CG 3.58Å; L291-L349 HydrophobicContact CB-CD1 4.29Å; L291-L349 HydrophobicContact CD2-CB 3.9Å; L291-L349 HydrophobicContact CD2-CD1 4.32Å; L291-V350 HydrophobicContact CD1-CG2 4.21Å; L291-V350 HydrophobicContact CD2-CG2 4.12Å
292R97.5Very high97.6Very high20 Ų2014.9 Ų14.98%0.0758%0.079CC..EExtended strand (participates in β ladder)trans-12198.4166.5-176.1-178.3-178.7-137.5-13.2109R132 D335 S337 N338R132-R292 HydrophobicContact CG-CB 3.8Å; R132-R292 PolarHBondContact N-O 3.42Å; R132-R292 PolarHBondContact O-N 2.89Å; R292-D335 IonicContact CZ-OD1 2.76Å; R292-D335 IonicContact CZ-OD2 3.18Å; R292-D335 IonicContact NH1-OD2 3.09Å; R292-D335 PolarHBondContact NH1-OD2 2.88Å; R292-D335 IonicContact NH2-OD1 3.22Å; R292-D335 PolarHBondContact NH2-OD1 3.24Å; R292-D335 IonicContact NH2-OD2 2.74Å; R292-D335 PolarHBondContact NH2-OD2 3.49Å; R292-S337 PolarHBondContact NE-OG 2.7Å; R292-S337 PolarHBondContact NH2-OG 3.36Å; R292-S337 VanDerWaalsContact NH2-OG 3.15Å; R292-N338 WeakPolarHBondContact CA-OD1 3Å
293A98.3Very high97.4Very high0 Ų016.1 Ų16.10%09%0.088CC..EExtended strand (participates in β ladder)trans-89.1137.7168.300000109.1R130 V131 L291 S337 N338 V350 V353R130-A293 CarbonylContact O-C 3.52Å; R130-A293 WeakPolarHBondContact O-CA 3.46Å; V131-A293 HydrophobicContact CG1-CB 4.5Å; V131-A293 HydrophobicContact CG2-CB 3.96Å; L291-A293 HydrophobicContact CD2-CB 3.71Å; A293-S337 WeakPolarHBondContact O-CA 3.39Å; A293-S337 WeakPolarHBondContact O-CB 3.36Å; A293-N338 PolarHBondContact N-OD1 3.06Å; A293-N338 PolarHBondContact O-N 3.39Å; A293-N338 PolarHBondContact O-OD1 2.87Å; A293-N338 VanDerWaalsContact O-OD1 3.04Å; A293-V350 HydrophobicContact CB-CG2 3.8Å; A293-V353 HydrophobicContact CB-CG2 4.12Å; A293-V353 WeakPolarHBondContact O-CG2 3.31Å
294G97.6Very high97.2Very high6 Ų623.1 Ų23.16%0.06212%0.116CC..EExtended strand (participates in β ladder)trans-168.3172.4-179.200000114.3R130 M246 I336R130-G294 PolarHBondContact N-O 3.15Å; R130-G294 PolarHBondContact O-N 3.19Å; M246-G294 WeakPolarHBondContact CE-O 3.47Å; G294-I336 CarbonylContact C-O 3.47Å; G294-I336 WeakPolarHBondContact CA-O 3.36Å
295V97.8Very high97.1Very high2 Ų225.4 Ų25.41%0.01213%0.127CC..EExtended strand (participates in β ladder)trans-131.6149.2-178.4-65.60000110.6L121 V126 S128 M246 V297 D335 I336 V357L121-V295 HydrophobicContact CD1-CG1 4.15Å; V126-V295 HydrophobicContact CG1-CB 3.93Å; V126-V295 HydrophobicContact CG1-CG1 3.79Å; S128-V295 CarbonylContact O-C 3.58Å; S128-V295 VanDerWaalsContact O-CA 3.23Å; S128-V295 WeakPolarHBondContact O-CA 3.35Å; M246-V295 HydrophobicContact CE-CG1 3.8Å; V295-V297 HydrophobicContact CG2-CB 3.89Å; V295-V297 HydrophobicContact CG2-CG1 3.92Å; V295-D335 WeakPolarHBondContact O-CA 3.44Å; V295-I336 HydrophobicContact CG2-CB 4.27Å; V295-I336 PolarHBondContact N-O 3.32Å; V295-I336 PolarHBondContact O-N 2.94Å; V295-V357 HydrophobicContact CG2-CB 4.46Å; V295-V357 HydrophobicContact CG2-CG1 4.04Å; V295-V357 HydrophobicContact CG2-CG2 3.51Å
296H96.6Very high97.1Very high34 Ų3432.7 Ų32.716%0.15716%0.159CC..EExtended strand (participates in β ladder)trans-86.1113.6155-76.2171.5000108.2V126 L127 S128 T322 V333 F334V126-H296 CarbonylContact C-O 3.53Å; L127-H296 HydrophobicContact CB-CB 4.22Å; L127-H296 PolarHBondContact N-O 3.18Å; S128-H296 PolarHBondContact O-N 3.03Å; H296-T322 PolarHBondContact CE1-O 3.05Å; H296-T322 PolarHBondContact NE2-O 3.41Å; H296-V333 HydrophobicContact CB-CG1 4.15Å; H296-F334 WeakPolarHBondContact CA-O 3.24Å
297V97.6Very high97Very high1 Ų134.4 Ų34.41%0.00617%0.165CC..EExtended strand (participates in β ladder)trans-127.2135.6-174.960.90000111.4Y125 V126 V295 L299 V333 F334 I336 V361Y125-V297 CarbonylContact O-C 3.58Å; Y125-V297 WeakPolarHBondContact O-CA 3.44Å; V126-V297 HydrophobicContact CG2-CB 4.42Å; V126-V297 HydrophobicContact CG2-CG2 4.11Å; V295-V297 HydrophobicContact CG2-CB 3.89Å; V295-V297 HydrophobicContact CG2-CG1 3.92Å; V297-L299 HydrophobicContact CG1-CD1 3.71Å; V297-L299 HydrophobicContact CG1-CG 3.94Å; V297-L299 HydrophobicContact CG2-CD2 3.96Å; V297-L299 HydrophobicContact CG2-CG 4Å; V297-V333 WeakPolarHBondContact O-CA 3.47Å; V297-F334 PolarHBondContact N-O 3.47Å; V297-F334 PolarHBondContact O-N 3.47Å; V297-I336 HydrophobicContact CG1-CB 4.15Å; V297-I336 HydrophobicContact CG1-CG1 3.55Å; V297-V361 HydrophobicContact CG2-CG2 4.16Å
298K97.1Very high96.8Very high90 Ų9034.8 Ų34.839%0.39117%0.167SC..EExtended strand (participates in β ladder)trans-80115.7174.2-69.8172.963.5-165.80109.9Y125 L127 P300 V333Y125-K298 PolarHBondContact O-N 3.07Å; L127-K298 HydrophobicContact CD1-CG 4.24Å; L127-K298 HydrophobicContact CD2-CD 3.99Å; L127-K298 HydrophobicContact CD2-CG 4.31Å; L127-K298 HydrophobicContact CG-CG 4.35Å; K298-P300 VanDerWaalsContact C-CD 3.48Å; K298-V333 HydrophobicContact CG-CG2 3.92Å
299L96.9Very high96.6Very high0 Ų037 Ų370%019%0.191CC..  trans-134.252.9-178.6-65.6178.9000111.5V297 N301 V302 S303 F308 G332 F334 I336 L360 E364V297-L299 HydrophobicContact CG1-CD1 3.71Å; V297-L299 HydrophobicContact CG1-CG 3.94Å; V297-L299 HydrophobicContact CG2-CD2 3.96Å; V297-L299 HydrophobicContact CG2-CG 4Å; L299-N301 PolarHBondContact O-N 3.38Å; L299-V302 HydrophobicContact CB-CG1 3.69Å; L299-V302 HydrophobicContact CD1-CG1 4.07Å; L299-V302 HydrophobicContact CD2-CG1 3.74Å; L299-V302 HydrophobicContact CG-CG1 4.02Å; L299-S303 WeakPolarHBondContact O-CB 3.49Å; L299-S303 PolarHBondContact O-N 3.06Å; L299-S303 PolarHBondContact O-OG 3.23Å; L299-F308 HydrophobicContact CD1-CE2 4.31Å; L299-F308 HydrophobicContact CD1-CZ 4.33Å; L299-G332 PolarHBondContact N-O 3Å; L299-F334 HydrophobicContact CB-CD2 4.12Å; L299-F334 HydrophobicContact CB-CE2 4.49Å; L299-I336 HydrophobicContact CD1-CG1 4.32Å; L299-L360 HydrophobicContact CD1-CB 4.4Å; L299-L360 HydrophobicContact CD1-CD1 4.26Å; L299-L360 HydrophobicContact CD2-CB 4.25Å; L299-E364 WeakPolarHBondContact CA-OE2 3.39Å; L299-E364 HydrophobicContact CD2-CB 4.06Å; L299-E364 HydrophobicContact CD2-CG 4.34Å
300P96.4Very high96.5Very high39 Ų3941 Ų4125%0.25321%0.209SC..THydrogen-bonded Turntrans-64.4-22.1-172.127-36000114.9K298 K304 E364K298-P300 VanDerWaalsContact C-CD 3.48Å; P300-K304 WeakPolarHBondContact O-CD 3.36Å; P300-K304 WeakPolarHBondContact O-CE 3.39Å; P300-K304 PolarHBondContact O-NZ 3Å; P300-E364 WeakPolarHBondContact CD-OE1 3.49Å; P300-E364 VanDerWaalsContact CG-OE1 3.26Å; P300-E364 WeakPolarHBondContact CG-OE1 3.07Å
301N96.9Very high96.5Very high60 Ų6040.9 Ų40.932%0.32121%0.208SC..THydrogen-bonded Turntrans-100.4-54.3179.6-59.4-63.8000112.1L299 S303 K304 H305 E364 L367 E368L299-N301 PolarHBondContact O-N 3.38Å; N301-S303 PolarHBondContact O-N 2.96Å; N301-K304 PolarHBondContact O-N 3.07Å; N301-H305 PolarHBondContact O-N 3.15Å; N301-E364 VanDerWaalsContact CB-OE1 3.24Å; N301-E364 WeakPolarHBondContact CB-OE1 3.44Å; N301-E364 PolarHBondContact N-OE1 2.88Å; N301-E364 PolarHBondContact N-OE2 3.26Å; N301-E364 PolarHBondContact ND2-OE1 3.36Å; N301-L367 HydrophobicContact CB-CB 3.73Å; N301-L367 HydrophobicContact CB-CD1 4.05Å; N301-E368 WeakPolarHBondContact ND2-CG 3.35Å
302V96.4Very high96.4Very high0 Ų041.2 Ų41.20%021%0.21CC..G310 helixtrans-63.2-30.9-176.474.50000111.6L299 K304 H305 F308 I311 M363 E364 L367 I373L299-V302 HydrophobicContact CB-CG1 3.69Å; L299-V302 HydrophobicContact CD1-CG1 4.07Å; L299-V302 HydrophobicContact CD2-CG1 3.74Å; L299-V302 HydrophobicContact CG-CG1 4.02Å; V302-K304 PolarHBondContact O-N 2.86Å; V302-H305 VanDerWaalsContact O-CB 3.23Å; V302-H305 WeakPolarHBondContact O-CB 3.07Å; V302-H305 PolarHBondContact O-N 3.1Å; V302-F308 HydrophobicContact CG1-CD2 4.42Å; V302-F308 HydrophobicContact CG1-CE2 4.26Å; V302-F308 HydrophobicContact CG2-CD2 4.27Å; V302-F308 WeakPolarHBondContact O-CB 3.48Å; V302-I311 HydrophobicContact CG2-CD1 4.4Å; V302-M363 HydrophobicContact CG2-CB 4.16Å; V302-M363 HydrophobicContact CG2-SD 4.38Å; V302-E364 WeakPolarHBondContact CG1-OE2 3.34Å; V302-E364 PolarHBondContact N-OE2 3.37Å; V302-L367 HydrophobicContact CB-CD1 3.86Å; V302-L367 HydrophobicContact CG2-CD1 4.28Å; V302-I373 HydrophobicContact CG2-CD1 4.26Å
303S94.4Very high96.2Very high28 Ų2847.5 Ų47.520%0.19624%0.238CC..G310 helixtrans-66.2-20176.965.20000114.9L299 N301 F334L299-S303 WeakPolarHBondContact O-CB 3.49Å; L299-S303 PolarHBondContact O-N 3.06Å; L299-S303 PolarHBondContact O-OG 3.23Å; N301-S303 PolarHBondContact O-N 2.96Å; S303-F334 WeakPolarHBondContact OG-CE2 3.23Å
304K94.6Very high96Very high166 Ų16651 Ų5172%0.72225%0.251SS*.G310 helixtrans-93.6-10.5175.3-61.5173.2-172.9155.40112.3P300 N301 V302P300-K304 WeakPolarHBondContact O-CD 3.36Å; P300-K304 WeakPolarHBondContact O-CE 3.39Å; P300-K304 PolarHBondContact O-NZ 3Å; N301-K304 PolarHBondContact O-N 3.07Å; V302-K304 PolarHBondContact O-N 2.86Å
305H95.7Very high96Very high48 Ų4850.9 Ų50.922%0.22225%0.249CC..SBendtrans-68.5136.7178.4-164.1-85.9000110.1N301 V302 K307 F308N301-H305 PolarHBondContact O-N 3.15Å; V302-H305 VanDerWaalsContact O-CB 3.23Å; V302-H305 WeakPolarHBondContact O-CB 3.07Å; V302-H305 PolarHBondContact O-N 3.1Å; H305-K307 PolarHBondContact ND1-N 3.49Å; H305-K307 PolarHBondContact O-N 3.08Å; H305-K307 VanDerWaalsContact O-N 3.1Å; H305-F308 WeakPolarHBondContact O-CB 3.16Å; H305-F308 PolarHBondContact O-N 3.15Å
306E95.4Very high95.8Very high175 Ų17553.2 Ų53.282%0.81826%0.258SS*.THydrogen-bonded Turntrans-57.2-31.5-176.462.5178.1-172.500113F308E306-F308 PolarHBondContact O-N 2.57Å
307K95.9Very high95.7Very high52 Ų5252 Ų5223%0.22625%0.252CS..THydrogen-bonded Turntrans-83.70.8179.6-56.1-174.7-177.7167.60114.6H305 G309 E310 I311 D374 M377H305-K307 PolarHBondContact ND1-N 3.49Å; H305-K307 PolarHBondContact O-N 3.08Å; H305-K307 VanDerWaalsContact O-N 3.1Å; K307-G309 VanDerWaalsContact C-N 3.33Å; K307-G309 PolarHBondContact O-N 3.03Å; K307-E310 WeakPolarHBondContact O-CB 3.31Å; K307-E310 PolarHBondContact O-N 2.55Å; K307-I311 HydrophobicContact CB-CD1 4.23Å; K307-I311 HydrophobicContact CB-CG1 4.45Å; K307-I311 WeakPolarHBondContact O-CG1 3.11Å; K307-I311 PolarHBondContact O-N 3.18Å; K307-D374 IonicContact NZ-OD1 2.65Å; K307-D374 PolarHBondContact NZ-OD1 3.19Å; K307-M377 HydrophobicContact CB-CE 4.32Å; K307-M377 HydrophobicContact CB-SD 4.21Å; K307-M377 HydrophobicContact CD-CE 4.12Å; K307-M377 HydrophobicContact CD-SD 3.8Å
308F95.7Very high95.4Very high8 Ų853.7 Ų53.74%0.03526%0.26CS..Hα-helixtrans-56.9-44.5-173.8-176.4-134000113.3L299 V302 H305 E306 E310 I311 L312 K319 F334 I336 L360L299-F308 HydrophobicContact CD1-CE2 4.31Å; L299-F308 HydrophobicContact CD1-CZ 4.33Å; V302-F308 HydrophobicContact CG1-CD2 4.42Å; V302-F308 HydrophobicContact CG1-CE2 4.26Å; V302-F308 HydrophobicContact CG2-CD2 4.27Å; V302-F308 WeakPolarHBondContact O-CB 3.48Å; H305-F308 WeakPolarHBondContact O-CB 3.16Å; H305-F308 PolarHBondContact O-N 3.15Å; E306-F308 PolarHBondContact O-N 2.57Å; F308-E310 VanDerWaalsContact C-N 3.31Å; F308-E310 PolarHBondContact O-N 3.37Å; F308-I311 PolarHBondContact O-N 2.97Å; F308-L312 HydrophobicContact CD1-CD1 4.3Å; F308-L312 HydrophobicContact CD2-CD1 4.39Å; F308-L312 HydrophobicContact CD2-CG 4.27Å; F308-L312 HydrophobicContact CE1-CD1 3.91Å; F308-L312 HydrophobicContact CE2-CD1 3.98Å; F308-L312 HydrophobicContact CE2-CD2 4.09Å; F308-L312 HydrophobicContact CE2-CG 3.96Å; F308-L312 HydrophobicContact CZ-CD1 3.73Å; F308-L312 HydrophobicContact CZ-CD2 4.36Å; F308-L312 HydrophobicContact CZ-CG 4.22Å; F308-L312 WeakPolarHBondContact O-CG 3.42Å; F308-L312 PolarHBondContact O-N 3.09Å; F308-K319 HydrophobicContact CD1-CD 4.17Å; F308-K319 HydrophobicContact CE1-CD 3.54Å; F308-K319 HydrophobicContact CZ-CD 4.33Å; F308-F334 HydrophobicContact CE1-CE1 4.5Å; F308-I336 HydrophobicContact CZ-CD1 4.42Å; F308-L360 HydrophobicContact CE2-CD2 4.14Å
309G93.8Very high95Very high48 Ų4854.6 Ų54.650%0.49526%0.264SS..Hα-helixtrans-62.8-38176.700000112.9K307 K313K307-G309 VanDerWaalsContact C-N 3.33Å; K307-G309 PolarHBondContact O-N 3.03Å; G309-K313 WeakPolarHBondContact O-CB 3.42Å; G309-K313 PolarHBondContact O-N 3.15Å; G309-K313 VanDerWaalsContact O-N 3.09Å
310E95.8Very high94.5Very high82 Ų8257.4 Ų57.438%0.38328%0.275SS..Hα-helixtrans-68.3-44176.5-173.3-178.1174.800111.6K307 F308 L312 K313 R314 M377K307-E310 WeakPolarHBondContact O-CB 3.31Å; K307-E310 PolarHBondContact O-N 2.55Å; F308-E310 VanDerWaalsContact C-N 3.31Å; F308-E310 PolarHBondContact O-N 3.37Å; E310-L312 VanDerWaalsContact C-N 3.34Å; E310-L312 PolarHBondContact O-N 3.14Å; E310-K313 PolarHBondContact O-N 2.91Å; E310-R314 HydrophobicContact CG-CG 4.45Å; E310-R314 WeakPolarHBondContact O-CG 3.37Å; E310-R314 PolarHBondContact O-N 3.23Å; E310-R314 IonicContact OE1-CZ 2.87Å; E310-R314 VanDerWaalsContact OE1-CZ 3.27Å; E310-R314 IonicContact OE1-NE 3.3Å; E310-R314 PolarHBondContact OE1-NE 3.25Å; E310-R314 VanDerWaalsContact OE1-NE 3.12Å; E310-R314 IonicContact OE1-NH2 2.76Å; E310-R314 PolarHBondContact OE1-NH2 2.79Å; E310-M377 HydrophobicContact CG-CE 4.36Å
311I97.6Very high93.6Very high0 Ų055.8 Ų55.80%027%0.265CS..Hα-helixtrans-56-50.3176.2-67.9160.5000110V302 K307 F308 K313 R314 L315 L360 M363 I373 M377 P378V302-I311 HydrophobicContact CG2-CD1 4.4Å; K307-I311 HydrophobicContact CB-CD1 4.23Å; K307-I311 HydrophobicContact CB-CG1 4.45Å; K307-I311 WeakPolarHBondContact O-CG1 3.11Å; K307-I311 PolarHBondContact O-N 3.18Å; F308-I311 PolarHBondContact O-N 2.97Å; I311-K313 VanDerWaalsContact C-N 3.34Å; I311-K313 PolarHBondContact O-N 2.93Å; I311-R314 PolarHBondContact O-N 3.46Å; I311-L315 HydrophobicContact CG2-CD1 3.79Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.43Å; I311-L315 VanDerWaalsContact O-CG 3.29Å; I311-L315 WeakPolarHBondContact O-CG 3.06Å; I311-L315 PolarHBondContact O-N 2.76Å; I311-L360 HydrophobicContact CG2-CD2 3.8Å; I311-M363 HydrophobicContact CD1-CE 4.18Å; I311-M363 HydrophobicContact CD1-SD 3.82Å; I311-M363 HydrophobicContact CG1-CE 4.34Å; I311-M363 HydrophobicContact CG1-SD 4.45Å; I311-M363 HydrophobicContact CG2-CE 4.28Å; I311-M363 HydrophobicContact CG2-SD 4.07Å; I311-I373 HydrophobicContact CD1-CD1 4.23Å; I311-M377 HydrophobicContact CD1-SD 3.98Å; I311-M377 HydrophobicContact CG1-CE 3.81Å; I311-M377 HydrophobicContact CG1-SD 3.61Å; I311-P378 HydrophobicContact CG2-CG 4.48Å
312L95.9Very high92.5Very high7 Ų754.4 Ų54.44%0.03726%0.259CS..Hα-helixtrans-60-43.4178.4-69.3177000112.1F308 E310 L315 R316 L317 K319 I336 L360F308-L312 HydrophobicContact CD1-CD1 4.3Å; F308-L312 HydrophobicContact CD2-CD1 4.39Å; F308-L312 HydrophobicContact CD2-CG 4.27Å; F308-L312 HydrophobicContact CE1-CD1 3.91Å; F308-L312 HydrophobicContact CE2-CD1 3.98Å; F308-L312 HydrophobicContact CE2-CD2 4.09Å; F308-L312 HydrophobicContact CE2-CG 3.96Å; F308-L312 HydrophobicContact CZ-CD1 3.73Å; F308-L312 HydrophobicContact CZ-CD2 4.36Å; F308-L312 HydrophobicContact CZ-CG 4.22Å; F308-L312 WeakPolarHBondContact O-CG 3.42Å; F308-L312 PolarHBondContact O-N 3.09Å; E310-L312 VanDerWaalsContact C-N 3.34Å; E310-L312 PolarHBondContact O-N 3.14Å; L312-L315 CarbonylContact O-C 3.5Å; L312-L315 PolarHBondContact O-N 2.99Å; L312-R316 PolarHBondContact O-N 2.85Å; L312-L317 HydrophobicContact CD2-CB 3.96Å; L312-L317 PolarHBondContact O-N 3.32Å; L312-K319 HydrophobicContact CD1-CB 3.86Å; L312-K319 HydrophobicContact CD1-CD 3.74Å; L312-K319 HydrophobicContact CD1-CG 3.95Å; L312-I336 HydrophobicContact CD2-CD1 4.09Å; L312-L360 HydrophobicContact CD2-CD1 4.06Å
313K93.1Very high91.1Very high152 Ų15256.4 Ų56.466%0.66128%0.28SS*.Hα-helixtrans-60.9-46.1177.6-177.3-179.1177.2-177.60112.1G309 E310 I311 L315 R316 Q380G309-K313 WeakPolarHBondContact O-CB 3.42Å; G309-K313 PolarHBondContact O-N 3.15Å; G309-K313 VanDerWaalsContact O-N 3.09Å; E310-K313 PolarHBondContact O-N 2.91Å; I311-K313 VanDerWaalsContact C-N 3.34Å; I311-K313 PolarHBondContact O-N 2.93Å; K313-L315 VanDerWaalsContact C-N 3.29Å; K313-L315 PolarHBondContact O-N 3.33Å; K313-R316 PolarHBondContact O-N 3.31Å; K313-R316 VanDerWaalsContact O-N 3.09Å; K313-Q380 PolarHBondContact O-NE2 3.02Å
314R95.4Very high89.7Confident73 Ų7355.7 Ų55.728%0.27528%0.277SS..Hα-helixtrans-65.1-34.1178.7-69.9-166.6-170.1-162.8-1.3112.4E310 I311 R316 P378 K381E310-R314 HydrophobicContact CG-CG 4.45Å; E310-R314 WeakPolarHBondContact O-CG 3.37Å; E310-R314 PolarHBondContact O-N 3.23Å; E310-R314 IonicContact OE1-CZ 2.87Å; E310-R314 VanDerWaalsContact OE1-CZ 3.27Å; E310-R314 IonicContact OE1-NE 3.3Å; E310-R314 PolarHBondContact OE1-NE 3.25Å; E310-R314 VanDerWaalsContact OE1-NE 3.12Å; E310-R314 IonicContact OE1-NH2 2.76Å; E310-R314 PolarHBondContact OE1-NH2 2.79Å; I311-R314 PolarHBondContact O-N 3.46Å; R314-R316 VanDerWaalsContact C-N 3.27Å; R314-R316 PolarHBondContact O-N 3.2Å; R314-P378 HydrophobicContact CB-CG 3.96Å; R314-P378 WeakPolarHBondContact CD-O 3.36Å; R314-P378 PolarHBondContact NH1-O 3.15Å; R314-K381 WeakPolarHBondContact O-CB 3.33Å; R314-K381 PolarHBondContact O-N 2.9Å
315L95.9Very high88.2Confident4 Ų449.6 Ų49.62%0.02125%0.254CS..THydrogen-bonded Turntrans-80.2-3.9174.4-65.4174.1000114I311 L312 K313 L317 L359 L360 P378I311-L315 HydrophobicContact CG2-CD1 3.79Å; I311-L315 HydrophobicContact CG2-CG 4.49Å; I311-L315 WeakPolarHBondContact O-CB 3.43Å; I311-L315 VanDerWaalsContact O-CG 3.29Å; I311-L315 WeakPolarHBondContact O-CG 3.06Å; I311-L315 PolarHBondContact O-N 2.76Å; L312-L315 CarbonylContact O-C 3.5Å; L312-L315 PolarHBondContact O-N 2.99Å; K313-L315 VanDerWaalsContact C-N 3.29Å; K313-L315 PolarHBondContact O-N 3.33Å; L315-L317 HydrophobicContact CB-CB 4.44Å; L315-L317 HydrophobicContact CB-CD1 3.93Å; L315-L317 HydrophobicContact CB-CG 3.83Å; L315-L317 HydrophobicContact CD1-CD1 4.15Å; L315-L317 PolarHBondContact O-N 3.37Å; L315-L359 HydrophobicContact CD1-CD2 4.33Å; L315-L359 HydrophobicContact CD2-CD2 4.03Å; L315-L360 HydrophobicContact CD1-CG 4.3Å; L315-P378 HydrophobicContact CD2-CB 3.79Å; L315-P378 HydrophobicContact CD2-CG 3.86Å; L315-P378 HydrophobicContact CG-CB 4.36Å; L315-P378 HydrophobicContact CG-CG 3.87Å
316R93.9Very high86.4Confident50 Ų5051 Ų5119%0.18926%0.262CS..THydrogen-bonded Turntrans56.135.3-173.3-51.3-177.772.891.75113.1L312 K313 R314 A339 D340 M352 K381L312-R316 PolarHBondContact O-N 2.85Å; K313-R316 PolarHBondContact O-N 3.31Å; K313-R316 VanDerWaalsContact O-N 3.09Å; R314-R316 VanDerWaalsContact C-N 3.27Å; R314-R316 PolarHBondContact O-N 3.2Å; R316-A339 WeakPolarHBondContact O-CB 3.41Å; R316-A339 PolarHBondContact O-N 3.39Å; R316-D340 IonicContact CZ-OD1 3.63Å; R316-D340 IonicContact CZ-OD2 3.35Å; R316-D340 IonicContact NE-OD1 2.98Å; R316-D340 IonicContact NE-OD2 2.75Å; R316-D340 PolarHBondContact NE-OD2 3.29Å; R316-D340 IonicContact NH2-OD1 3.82Å; R316-D340 PolarHBondContact NH2-OD1 2.85Å; R316-D340 IonicContact NH2-OD2 2.62Å; R316-D340 PolarHBondContact NH2-OD2 2.85Å; R316-D340 VanDerWaalsContact NH2-OD2 3.14Å; R316-M352 HydrophobicContact CB-SD 4.34Å; R316-K381 WeakPolarHBondContact CD-O 3.48Å; R316-K381 HydrophobicContact CG-CB 3.95Å; R316-K381 PolarHBondContact NH1-O 3.47Å; R316-K381 VanDerWaalsContact NH1-O 3.16Å
317L95Very high84.9Confident9 Ų945.1 Ų45.15%0.04724%0.239CC..EExtended strand (participates in β ladder)trans-104.7153.3176.7-60.2-179.8000110.7L312 L315 I336 S337 V353 L360L312-L317 HydrophobicContact CD2-CB 3.96Å; L312-L317 PolarHBondContact O-N 3.32Å; L315-L317 HydrophobicContact CB-CB 4.44Å; L315-L317 HydrophobicContact CB-CD1 3.93Å; L315-L317 HydrophobicContact CB-CG 3.83Å; L315-L317 HydrophobicContact CD1-CD1 4.15Å; L315-L317 PolarHBondContact O-N 3.37Å; L317-I336 HydrophobicContact CB-CG2 4.19Å; L317-I336 HydrophobicContact CD1-CG2 3.78Å; L317-I336 HydrophobicContact CG-CG2 4.43Å; L317-S337 CarbonylContact C-O 3.45Å; L317-S337 VanDerWaalsContact CA-O 3.29Å; L317-S337 WeakPolarHBondContact CA-O 3.39Å; L317-V353 HydrophobicContact CD2-CG2 4.05Å; L317-L360 HydrophobicContact CD1-CD1 4.21Å
318Q91.1Very high83.9Confident36 Ų3646 Ų4617%0.16826%0.256CS..EExtended strand (participates in β ladder)trans-121.3149.1172.560.8173.533.700110I336 S337 A339Q318-I336 WeakPolarHBondContact O-CA 3.17Å; Q318-S337 WeakPolarHBondContact CG-O 3.2Å; Q318-S337 WeakPolarHBondContact CG-OG 3.45Å; Q318-S337 PolarHBondContact N-O 3.18Å; Q318-S337 PolarHBondContact NE2-OG 3.12Å; Q318-S337 PolarHBondContact O-N 2.71Å; Q318-S337 VanDerWaalsContact O-N 3.08Å; Q318-A339 HydrophobicContact CB-CB 4.3Å
319K90.1Very high82.9Confident110 Ų11047.6 Ų47.648%0.47827%0.27SS..EExtended strand (participates in β ladder)trans-106.9141173.968.4-176.4178.582.30111.5F308 L312 F334 D335 I336F308-K319 HydrophobicContact CD1-CD 4.17Å; F308-K319 HydrophobicContact CE1-CD 3.54Å; F308-K319 HydrophobicContact CZ-CD 4.33Å; L312-K319 HydrophobicContact CD1-CB 3.86Å; L312-K319 HydrophobicContact CD1-CD 3.74Å; L312-K319 HydrophobicContact CD1-CG 3.95Å; K319-F334 HydrophobicContact CB-CD1 4.39Å; K319-F334 HydrophobicContact CD-CD1 4.47Å; K319-D335 CarbonylContact C-O 3.53Å; K319-D335 WeakPolarHBondContact CA-O 3.44Å; K319-I336 HydrophobicContact CB-CD1 3.69Å
320R86.1Confident82.1Confident58 Ų5850.2 Ų50.222%0.21928%0.277CS..EExtended strand (participates in β ladder)trans-130.7168.9166.7-58.4-170.5-177.3-174.3-9.2110D335R320-D335 HydrophobicContact CB-CB 4.1Å; R320-D335 PolarHBondContact N-O 3.1Å; R320-D335 PolarHBondContact O-N 3.08Å; R320-D335 VanDerWaalsContact O-N 3.12Å
321G77.7Confident81.4Confident6 Ų649.8 Ų49.86%0.06229%0.294CS..BIsolated β-bridgetrans-72174.6172.600000112.9G323 G324 T327 A328G321-G323 VanDerWaalsContact C-N 3.29Å; G321-G323 PolarHBondContact O-N 3.36Å; G321-G324 PolarHBondContact N-O 3.33Å; G321-G324 PolarHBondContact O-N 3.16Å; G321-G324 VanDerWaalsContact O-N 3.09Å; G321-T327 WeakPolarHBondContact CA-O 3.42Å; G321-T327 PolarHBondContact N-O 2.91Å; G321-A328 VanDerWaalsContact CA-C 3.47Å; G321-A328 WeakPolarHBondContact CA-O 3.44Å
322T73.3Confident80.9Confident30 Ų3050.6 Ų50.618%0.18430%0.303CS..THydrogen-bonded Turntrans-68.1-25.9-168.5-44.30000113.5H296 A328 V330 V333H296-T322 PolarHBondContact CE1-O 3.05Å; H296-T322 PolarHBondContact NE2-O 3.41Å; T322-A328 PolarHBondContact N-O 3.45Å; T322-V330 PolarHBondContact OG1-N 3.34Å; T322-V333 HydrophobicContact CG2-CB 4.35Å; T322-V333 HydrophobicContact CG2-CG1 4.01Å; T322-V333 PolarHBondContact OG1-O 3.17Å
323G66.8Low80.7Confident42 Ų4251.3 Ų51.343%0.43331%0.307SS..THydrogen-bonded Turntrans-98.38.3174.800000114G321 T327G321-G323 VanDerWaalsContact C-N 3.29Å; G321-G323 PolarHBondContact O-N 3.36Å; G323-T327 VanDerWaalsContact C-OG1 3.29Å; G323-T327 VanDerWaalsContact CA-OG1 3.26Å; G323-T327 WeakPolarHBondContact CA-OG1 3.31Å; G323-T327 PolarHBondContact N-OG1 3.43Å
324G64.7Low80.7Confident13 Ų1345.1 Ų45.113%0.13428%0.28CS..BIsolated β-bridgetrans109-155.6-178.500000114G321 D326 T327G321-G324 PolarHBondContact N-O 3.33Å; G321-G324 PolarHBondContact O-N 3.16Å; G321-G324 VanDerWaalsContact O-N 3.09Å; G324-D326 VanDerWaalsContact C-N 3.32Å; G324-D326 PolarHBondContact O-N 3.46Å; G324-T327 PolarHBondContact N-OG1 2.99Å; G324-T327 VanDerWaalsContact N-OG1 3.15Å; G324-T327 PolarHBondContact O-N 3.02Å; G324-T327 PolarHBondContact O-OG1 2.74Å; G324-T327 VanDerWaalsContact O-OG1 3.06Å
325V62.9Low80.6Confident39 Ų3942.5 Ų42.524%0.23627%0.271CS..THydrogen-bonded Turntrans-68-27.3-164.367.10000114.9I69I69-V325 HydrophobicContact CD1-CG2 3.75Å; I69-V325 HydrophobicContact CG1-CG2 4.25Å; I69-V325 HydrophobicContact CG2-CG2 4.19Å
326D59.1Low80.6Confident76 Ų7642.3 Ų42.341%0.40627%0.27SS..THydrogen-bonded Turntrans-103.112.2-175.2-58.7-36000112.6H66 G324H66-D326 IonicContact CE1-OD1 3.14Å; H66-D326 PolarHBondContact CE1-OD1 3.02Å; H66-D326 IonicContact NE2-OD1 3.33Å; H66-D326 PolarHBondContact NE2-OD1 3.41Å; G324-D326 VanDerWaalsContact C-N 3.32Å; G324-D326 PolarHBondContact O-N 3.46Å
327T64Low80.8Confident52 Ų5239.9 Ų39.932%0.31926%0.261SS..SBendtrans-119.9155.7-175.669.70000112.1G321 G323 G324G321-T327 WeakPolarHBondContact CA-O 3.42Å; G321-T327 PolarHBondContact N-O 2.91Å; G323-T327 VanDerWaalsContact C-OG1 3.29Å; G323-T327 VanDerWaalsContact CA-OG1 3.26Å; G323-T327 WeakPolarHBondContact CA-OG1 3.31Å; G323-T327 PolarHBondContact N-OG1 3.43Å; G324-T327 PolarHBondContact N-OG1 2.99Å; G324-T327 VanDerWaalsContact N-OG1 3.15Å; G324-T327 PolarHBondContact O-N 3.02Å; G324-T327 PolarHBondContact O-OG1 2.74Å; G324-T327 VanDerWaalsContact O-OG1 3.06Å
328A73.9Confident80.8Confident71 Ų7139.5 Ų39.559%0.58726%0.259SS*.  trans-81.3158.7171.400000111.5G321 T322G321-A328 VanDerWaalsContact CA-C 3.47Å; G321-A328 WeakPolarHBondContact CA-O 3.44Å; T322-A328 PolarHBondContact N-O 3.45Å
329A74.5Confident80.8Confident41 Ų4138.8 Ų38.834%0.33926%0.259SS..  trans-72.4129.9168.400000109.6V333 F334A329-V333 WeakPolarHBondContact CB-O 3.5Å; A329-F334 HydrophobicContact CB-CD1 3.77Å; A329-F334 HydrophobicContact CB-CE1 3.5Å; A329-F334 VanDerWaalsContact CB-CE1 3.5Å; A329-F334 HydrophobicContact CB-CE2 4.41Å; A329-F334 HydrophobicContact CB-CG 4.34Å; A329-F334 HydrophobicContact CB-CZ 3.85Å
330V78.1Confident80.8Confident104 Ų10434 Ų3463%0.6324%0.239SC*.BIsolated β-bridgetrans-107.8129.9177.7-177.50000109.1T322 G332 V333T322-V330 PolarHBondContact OG1-N 3.34Å; V330-G332 VanDerWaalsContact C-N 3.27Å; V330-G332 PolarHBondContact O-N 3.27Å; V330-V333 WeakPolarHBondContact O-CB 3.39Å; V330-V333 PolarHBondContact O-N 3.3Å; V330-V333 VanDerWaalsContact O-N 3.09Å
331G80.1Confident81.3Confident72 Ų7231.5 Ų31.574%0.74223%0.23SC*.THydrogen-bonded Turntrans6425.1173.400000115.4V333G331-V333 VanDerWaalsContact C-N 3.28Å; G331-V333 PolarHBondContact O-N 2.87Å
332G86.7Confident82.3Confident18 Ų1831.3 Ų31.319%0.18623%0.227CC..THydrogen-bonded Turntrans74.714.7-176.300000114.1L299 V330 F334L299-G332 PolarHBondContact N-O 3Å; V330-G332 VanDerWaalsContact C-N 3.27Å; V330-G332 PolarHBondContact O-N 3.27Å; G332-F334 WeakPolarHBondContact O-CD2 3.42Å
333V92.3Very high83.4Confident21 Ų2130.9 Ų30.913%0.12723%0.229CC..EExtended strand (participates in β ladder)trans-91.7123.1174.2-177.20000109.9L127 H296 V297 K298 T322 A329 V330 G331L127-V333 HydrophobicContact CD1-CG1 3.91Å; L127-V333 HydrophobicContact CD1-CG2 4.01Å; H296-V333 HydrophobicContact CB-CG1 4.15Å; V297-V333 WeakPolarHBondContact O-CA 3.47Å; K298-V333 HydrophobicContact CG-CG2 3.92Å; T322-V333 HydrophobicContact CG2-CB 4.35Å; T322-V333 HydrophobicContact CG2-CG1 4.01Å; T322-V333 PolarHBondContact OG1-O 3.17Å; A329-V333 WeakPolarHBondContact CB-O 3.5Å; V330-V333 WeakPolarHBondContact O-CB 3.39Å; V330-V333 PolarHBondContact O-N 3.3Å; V330-V333 VanDerWaalsContact O-N 3.09Å; G331-V333 VanDerWaalsContact C-N 3.28Å; G331-V333 PolarHBondContact O-N 2.87Å
334F92.6Very high84.9Confident23 Ų2331.3 Ų31.310%0.10122%0.219CC..EExtended strand (participates in β ladder)trans-116.9144.4179.7-65.8-92.2000111.3H296 V297 L299 S303 F308 K319 A329 G332 I336H296-F334 WeakPolarHBondContact CA-O 3.24Å; V297-F334 PolarHBondContact N-O 3.47Å; V297-F334 PolarHBondContact O-N 3.47Å; L299-F334 HydrophobicContact CB-CD2 4.12Å; L299-F334 HydrophobicContact CB-CE2 4.49Å; S303-F334 WeakPolarHBondContact OG-CE2 3.23Å; F308-F334 HydrophobicContact CE1-CE1 4.5Å; K319-F334 HydrophobicContact CB-CD1 4.39Å; K319-F334 HydrophobicContact CD-CD1 4.47Å; A329-F334 HydrophobicContact CB-CD1 3.77Å; A329-F334 HydrophobicContact CB-CE1 3.5Å; A329-F334 VanDerWaalsContact CB-CE1 3.5Å; A329-F334 HydrophobicContact CB-CE2 4.41Å; A329-F334 HydrophobicContact CB-CG 4.34Å; A329-F334 HydrophobicContact CB-CZ 3.85Å; G332-F334 WeakPolarHBondContact O-CD2 3.42Å; F334-I336 HydrophobicContact CB-CD1 3.86Å; F334-I336 HydrophobicContact CB-CG1 4.03Å
335D93.8Very high86.5Confident17 Ų1731 Ų319%0.09122%0.215CC..EExtended strand (participates in β ladder)trans-83.7104.5161.3173.8-7000107.9R292 V295 K319 R320R292-D335 IonicContact CZ-OD1 2.76Å; R292-D335 IonicContact CZ-OD2 3.18Å; R292-D335 IonicContact NH1-OD2 3.09Å; R292-D335 PolarHBondContact NH1-OD2 2.88Å; R292-D335 IonicContact NH2-OD1 3.22Å; R292-D335 PolarHBondContact NH2-OD1 3.24Å; R292-D335 IonicContact NH2-OD2 2.74Å; R292-D335 PolarHBondContact NH2-OD2 3.49Å; V295-D335 WeakPolarHBondContact O-CA 3.44Å; K319-D335 CarbonylContact C-O 3.53Å; K319-D335 WeakPolarHBondContact CA-O 3.44Å; R320-D335 HydrophobicContact CB-CB 4.1Å; R320-D335 PolarHBondContact N-O 3.1Å; R320-D335 PolarHBondContact O-N 3.08Å; R320-D335 VanDerWaalsContact O-N 3.12Å
336I96.5Very high88.2Confident0 Ų029.2 Ų29.20%020%0.204CC..EExtended strand (participates in β ladder)trans-104.2126.5177.8-59.8-58.7000108.7G294 V295 V297 L299 F308 L312 L317 Q318 K319 F334 V357 L360G294-I336 CarbonylContact C-O 3.47Å; G294-I336 WeakPolarHBondContact CA-O 3.36Å; V295-I336 HydrophobicContact CG2-CB 4.27Å; V295-I336 PolarHBondContact N-O 3.32Å; V295-I336 PolarHBondContact O-N 2.94Å; V297-I336 HydrophobicContact CG1-CB 4.15Å; V297-I336 HydrophobicContact CG1-CG1 3.55Å; L299-I336 HydrophobicContact CD1-CG1 4.32Å; F308-I336 HydrophobicContact CZ-CD1 4.42Å; L312-I336 HydrophobicContact CD2-CD1 4.09Å; L317-I336 HydrophobicContact CB-CG2 4.19Å; L317-I336 HydrophobicContact CD1-CG2 3.78Å; L317-I336 HydrophobicContact CG-CG2 4.43Å; Q318-I336 WeakPolarHBondContact O-CA 3.17Å; K319-I336 HydrophobicContact CB-CD1 3.69Å; F334-I336 HydrophobicContact CB-CD1 3.86Å; F334-I336 HydrophobicContact CB-CG1 4.03Å; I336-V357 HydrophobicContact CG2-CG2 4.41Å; I336-L360 HydrophobicContact CG2-CD1 4.17Å
337S97.1Very high90.1Very high0 Ų026.2 Ų26.20%019%0.188CC..EExtended strand (participates in β ladder)trans-145.6164-178.649.50000112.2R292 A293 L317 Q318R292-S337 PolarHBondContact NE-OG 2.7Å; R292-S337 PolarHBondContact NH2-OG 3.36Å; R292-S337 VanDerWaalsContact NH2-OG 3.15Å; A293-S337 WeakPolarHBondContact O-CA 3.39Å; A293-S337 WeakPolarHBondContact O-CB 3.36Å; L317-S337 CarbonylContact C-O 3.45Å; L317-S337 VanDerWaalsContact CA-O 3.29Å; L317-S337 WeakPolarHBondContact CA-O 3.39Å; Q318-S337 WeakPolarHBondContact CG-O 3.2Å; Q318-S337 WeakPolarHBondContact CG-OG 3.45Å; Q318-S337 PolarHBondContact N-O 3.18Å; Q318-S337 PolarHBondContact NE2-OG 3.12Å; Q318-S337 PolarHBondContact O-N 2.71Å; Q318-S337 VanDerWaalsContact O-N 3.08Å
338N96Very high91.7Very high0 Ų027 Ų270%019%0.188CC..EExtended strand (participates in β ladder)trans-56.4146.4169.458-61.6000111L291 R292 A293 D340 R341 L349 V353L291-N338 PolarHBondContact O-ND2 3.26Å; R292-N338 WeakPolarHBondContact CA-OD1 3Å; A293-N338 PolarHBondContact N-OD1 3.06Å; A293-N338 PolarHBondContact O-N 3.39Å; A293-N338 PolarHBondContact O-OD1 2.87Å; A293-N338 VanDerWaalsContact O-OD1 3.04Å; N338-D340 PolarHBondContact ND2-O 2.84Å; N338-R341 VanDerWaalsContact C-NH1 3.28Å; N338-R341 PolarHBondContact ND2-NH1 3.06Å; N338-R341 VanDerWaalsContact O-CZ 3.28Å; N338-R341 PolarHBondContact O-NH1 2.99Å; N338-R341 PolarHBondContact O-NH2 2.74Å; N338-L349 HydrophobicContact CB-CD2 4.27Å; N338-V353 HydrophobicContact CB-CG2 3.85Å
339A89.9Confident92.9Very high21 Ų2123.6 Ų23.617%0.17416%0.16CC..SBendtrans-92.2-31.7178.300000113.2R96 R316 Q318 R341R96-A339 PolarHBondContact NH2-O 3.28Å; R316-A339 WeakPolarHBondContact O-CB 3.41Å; R316-A339 PolarHBondContact O-N 3.39Å; Q318-A339 HydrophobicContact CB-CB 4.3Å; A339-R341 PolarHBondContact O-NH1 3.21Å
340D91.3Very high94.1Very high11 Ų1121.6 Ų21.66%0.05914%0.144CC..  trans-90.2154.5-178.9-51.6-73.4000112.8R316 N338 F344 L349R316-D340 IonicContact CZ-OD1 3.63Å; R316-D340 IonicContact CZ-OD2 3.35Å; R316-D340 IonicContact NE-OD1 2.98Å; R316-D340 IonicContact NE-OD2 2.75Å; R316-D340 PolarHBondContact NE-OD2 3.29Å; R316-D340 IonicContact NH2-OD1 3.82Å; R316-D340 PolarHBondContact NH2-OD1 2.85Å; R316-D340 IonicContact NH2-OD2 2.62Å; R316-D340 PolarHBondContact NH2-OD2 2.85Å; R316-D340 VanDerWaalsContact NH2-OD2 3.14Å; N338-D340 PolarHBondContact ND2-O 2.84Å; D340-F344 HydrophobicContact CB-CD2 3.88Å; D340-F344 HydrophobicContact CB-CE2 4.09Å; D340-L349 HydrophobicContact CB-CD2 4.07Å; D340-L349 VanDerWaalsContact O-CD2 3.32Å; D340-L349 WeakPolarHBondContact O-CD2 3.31Å
341R96.4Very high95Very high5 Ų518.3 Ų18.32%0.01912%0.121CC..  trans-135.3-32.3177.2-49.7-67.4178.7-91.21.1112.9S285 L287 T289 L291 N338 A339S285-R341 WeakPolarHBondContact O-CG 3.48Å; L287-R341 CarbonylContact O-C 2.96Å; L287-R341 WeakPolarHBondContact O-CB 3.47Å; T289-R341 PolarHBondContact N-O 3.27Å; T289-R341 PolarHBondContact OG1-O 3.12Å; L291-R341 WeakPolarHBondContact O-CD 3.47Å; L291-R341 PolarHBondContact O-NE 3.12Å; N338-R341 VanDerWaalsContact C-NH1 3.28Å; N338-R341 PolarHBondContact ND2-NH1 3.06Å; N338-R341 VanDerWaalsContact O-CZ 3.28Å; N338-R341 PolarHBondContact O-NH1 2.99Å; N338-R341 PolarHBondContact O-NH2 2.74Å; A339-R341 PolarHBondContact O-NH1 3.21Å
342L97.8Very high95.9Very high2 Ų215.7 Ų15.71%0.019%0.09CC..SBendtrans-104.9151.8-178.1-173.961.3000110.4I93 H97 Y100 H106 L277 L287 G288 F344I93-L342 HydrophobicContact CG2-CD2 3.58Å; H97-L342 HydrophobicContact CB-CB 4.3Å; Y100-L342 HydrophobicContact CD1-CD2 3.31Å; Y100-L342 HydrophobicContact CD1-CG 3.7Å; Y100-L342 HydrophobicContact CD2-CG 4.12Å; Y100-L342 HydrophobicContact CE1-CD1 3.93Å; Y100-L342 HydrophobicContact CE1-CD2 3.46Å; Y100-L342 VanDerWaalsContact CE1-CD2 3.46Å; Y100-L342 HydrophobicContact CE1-CG 3.58Å; Y100-L342 HydrophobicContact CE2-CD1 4.5Å; Y100-L342 HydrophobicContact CE2-CG 4.05Å; Y100-L342 HydrophobicContact CG-CD2 3.89Å; Y100-L342 HydrophobicContact CG-CG 3.93Å; H106-L342 HydrophobicContact CB-CD1 4.08Å; L277-L342 WeakPolarHBondContact O-CD1 3.49Å; L287-L342 HydrophobicContact CB-CD2 4.28Å; G288-L342 VanDerWaalsContact CA-CD1 3.47Å; L342-F344 WeakPolarHBondContact O-CD2 3.3Å; L342-F344 PolarHBondContact O-N 2.86Å
343G97.3Very high96.5Very high20 Ų2014.8 Ų14.821%0.2068%0.081CC..SBendtrans75.5-10.8-174.900000116.9Y100 H106 K107Y100-G343 VanDerWaalsContact CE2-CA 3.48Å; H106-G343 PolarHBondContact ND1-N 3.3Å; K107-G343 WeakPolarHBondContact CE-O 3.42Å
344F97.5Very high96.8Very high52 Ų5213.9 Ų13.923%0.2288%0.076CC..SBendtrans-122145.9176.6-62.6-86000110.7H106 T289 D340 L342 E348 L349 M352H106-F344 PolarHBondContact CE1-O 3.15Å; H106-F344 VanDerWaalsContact CE1-O 3.27Å; T289-F344 WeakPolarHBondContact CG2-O 3.5Å; D340-F344 HydrophobicContact CB-CD2 3.88Å; D340-F344 HydrophobicContact CB-CE2 4.09Å; L342-F344 WeakPolarHBondContact O-CD2 3.3Å; L342-F344 PolarHBondContact O-N 2.86Å; F344-E348 HydrophobicContact CB-CB 4.49Å; F344-L349 HydrophobicContact CB-CD1 4.38Å; F344-L349 HydrophobicContact CB-CD2 3.72Å; F344-L349 HydrophobicContact CB-CG 3.79Å; F344-L349 HydrophobicContact CD2-CD2 4.45Å; F344-L349 HydrophobicContact CG-CD2 4.24Å; F344-M352 HydrophobicContact CB-CE 4.3Å; F344-M352 HydrophobicContact CD1-CE 3.44Å; F344-M352 VanDerWaalsContact CD1-CE 3.44Å; F344-M352 HydrophobicContact CE1-CE 3.8Å; F344-M352 HydrophobicContact CG-CE 3.84Å; F344-M352 HydrophobicContact CZ-CE 4.48Å
345S98.6Very high97.1Very high7 Ų716.1 Ų16.15%0.0499%0.089CC..  trans-77.2165.3173.763.20000112.2K107 V347 E348 L349K107-S345 WeakPolarHBondContact O-CA 3.38Å; S345-V347 PolarHBondContact O-N 3.43Å; S345-E348 WeakPolarHBondContact CB-OE2 3.43Å; S345-E348 PolarHBondContact N-OE2 3.42Å; S345-E348 PolarHBondContact O-N 2.98Å; S345-E348 VanDerWaalsContact OG-CD 3.28Å; S345-E348 VanDerWaalsContact OG-CG 3.26Å; S345-E348 WeakPolarHBondContact OG-CG 3.44Å; S345-E348 PolarHBondContact OG-N 2.62Å; S345-E348 PolarHBondContact OG-OE2 3.22Å; S345-L349 VanDerWaalsContact O-CG 3.32Å; S345-L349 WeakPolarHBondContact O-CG 3.22Å; S345-L349 PolarHBondContact O-N 2.81Å
346E98.8Very high97.3Very high1 Ų115.3 Ų15.31%0.0058%0.084CC..Hα-helixtrans-59.7-44.9178.5-66.687165.500112.1T108 D109 L110 F250 T289 L291 E348 L349 V350T108-E346 WeakPolarHBondContact CA-OE2 3.29Å; D109-E346 PolarHBondContact N-OE2 3.48Å; D109-E346 WeakPolarHBondContact O-CB 3.32Å; L110-E346 HydrophobicContact CD2-CB 3.99Å; L110-E346 HydrophobicContact CD2-CG 3.61Å; L110-E346 HydrophobicContact CG-CG 4.33Å; F250-E346 HydrophobicContact CE2-CB 4.07Å; F250-E346 HydrophobicContact CZ-CB 3.94Å; T289-E346 HydrophobicContact CG2-CG 3.74Å; L291-E346 HydrophobicContact CB-CG 4.37Å; L291-E346 HydrophobicContact CD1-CB 3.59Å; L291-E346 HydrophobicContact CD1-CG 3.58Å; E346-E348 PolarHBondContact O-N 3.08Å; E346-L349 PolarHBondContact O-N 3.08Å; E346-V350 VanDerWaalsContact O-CG2 3.29Å; E346-V350 WeakPolarHBondContact O-CG2 3.43Å; E346-V350 PolarHBondContact O-N 3.46Å
347V98.8Very high97.4Very high12 Ų1215.3 Ų15.37%0.0738%0.084CC..Hα-helixtrans-58.1-47.1175.31680000111.4D109 N111 N114 F250 S345 L349 V350 Q351D109-V347 HydrophobicContact CB-CB 4.39Å; D109-V347 HydrophobicContact CB-CG2 4.22Å; D109-V347 WeakPolarHBondContact O-CG2 3.39Å; D109-V347 PolarHBondContact O-N 2.76Å; N111-V347 VanDerWaalsContact O-CG2 3.3Å; N111-V347 WeakPolarHBondContact O-CG2 3.29Å; N114-V347 HydrophobicContact CB-CG1 3.84Å; N114-V347 HydrophobicContact CB-CG2 4Å; F250-V347 HydrophobicContact CE1-CG2 3.8Å; F250-V347 HydrophobicContact CZ-CG2 4.06Å; S345-V347 PolarHBondContact O-N 3.43Å; V347-L349 PolarHBondContact O-N 2.86Å; V347-V350 PolarHBondContact O-N 3.12Å; V347-Q351 WeakPolarHBondContact O-CB 3.36Å; V347-Q351 PolarHBondContact O-N 3.31Å
348E98.5Very high97.4Very high68 Ų6818.4 Ų18.432%0.31810%0.101SC..Hα-helixtrans-63.3-41.4-179.6-72.4167132.200112.1K107 F344 S345 E346 Q351 M352K107-E348 WeakPolarHBondContact CE-OE2 3.2Å; K107-E348 IonicContact NZ-OE1 2.81Å; K107-E348 PolarHBondContact NZ-OE1 2.88Å; K107-E348 IonicContact NZ-OE2 3Å; K107-E348 PolarHBondContact NZ-OE2 3.46Å; F344-E348 HydrophobicContact CB-CB 4.49Å; S345-E348 WeakPolarHBondContact CB-OE2 3.43Å; S345-E348 PolarHBondContact N-OE2 3.42Å; S345-E348 PolarHBondContact O-N 2.98Å; S345-E348 VanDerWaalsContact OG-CD 3.28Å; S345-E348 VanDerWaalsContact OG-CG 3.26Å; S345-E348 WeakPolarHBondContact OG-CG 3.44Å; S345-E348 PolarHBondContact OG-N 2.62Å; S345-E348 PolarHBondContact OG-OE2 3.22Å; E346-E348 PolarHBondContact O-N 3.08Å; E348-Q351 PolarHBondContact O-N 3.06Å; E348-M352 HydrophobicContact CB-CE 4.28Å; E348-M352 WeakPolarHBondContact O-CE 3.37Å; E348-M352 WeakPolarHBondContact O-CG 3.14Å; E348-M352 PolarHBondContact O-N 2.93Å
349L98.4Very high97.6Very high0 Ų020.2 Ų20.20%011%0.11CC..Hα-helixtrans-65.3-41.9177.7-69.3173.1000111.8T289 L291 N338 D340 F344 S345 E346 V347 M352 V353T289-L349 HydrophobicContact CG2-CD1 3.89Å; T289-L349 VanDerWaalsContact OG1-CD1 3.22Å; T289-L349 WeakPolarHBondContact OG1-CD1 3.49Å; L291-L349 HydrophobicContact CB-CD1 4.29Å; L291-L349 HydrophobicContact CD2-CB 3.9Å; L291-L349 HydrophobicContact CD2-CD1 4.32Å; N338-L349 HydrophobicContact CB-CD2 4.27Å; D340-L349 HydrophobicContact CB-CD2 4.07Å; D340-L349 VanDerWaalsContact O-CD2 3.32Å; D340-L349 WeakPolarHBondContact O-CD2 3.31Å; F344-L349 HydrophobicContact CB-CD1 4.38Å; F344-L349 HydrophobicContact CB-CD2 3.72Å; F344-L349 HydrophobicContact CB-CG 3.79Å; F344-L349 HydrophobicContact CD2-CD2 4.45Å; F344-L349 HydrophobicContact CG-CD2 4.24Å; S345-L349 VanDerWaalsContact O-CG 3.32Å; S345-L349 WeakPolarHBondContact O-CG 3.22Å; S345-L349 PolarHBondContact O-N 2.81Å; E346-L349 PolarHBondContact O-N 3.08Å; V347-L349 PolarHBondContact O-N 2.86Å; L349-M352 HydrophobicContact CD2-CE 4Å; L349-M352 PolarHBondContact O-N 2.94Å; L349-V353 WeakPolarHBondContact O-CG2 3.08Å; L349-V353 PolarHBondContact O-N 3.45Å
350V98.8Very high98Very high0 Ų019.2 Ų19.20%010%0.102CC..Hα-helixtrans-68.7-39176178.90000110.8L115 M246 F250 L291 A293 E346 V347 M352 V353 V354L115-V350 HydrophobicContact CD1-CB 4.1Å; L115-V350 HydrophobicContact CD1-CG1 3.69Å; L115-V350 HydrophobicContact CD2-CG1 3.9Å; L115-V350 HydrophobicContact CG-CG1 4.47Å; M246-V350 HydrophobicContact CG-CG1 3.81Å; M246-V350 HydrophobicContact SD-CG1 4.42Å; F250-V350 HydrophobicContact CB-CG1 4.38Å; F250-V350 HydrophobicContact CD1-CG1 4.38Å; F250-V350 HydrophobicContact CD1-CG2 4.46Å; F250-V350 HydrophobicContact CD2-CG2 3.66Å; F250-V350 HydrophobicContact CE1-CG2 4.46Å; F250-V350 HydrophobicContact CE2-CG2 3.67Å; F250-V350 HydrophobicContact CG-CG1 4.21Å; F250-V350 HydrophobicContact CG-CG2 4.07Å; F250-V350 HydrophobicContact CZ-CG2 4.09Å; L291-V350 HydrophobicContact CD1-CG2 4.21Å; L291-V350 HydrophobicContact CD2-CG2 4.12Å; A293-V350 HydrophobicContact CB-CG2 3.8Å; E346-V350 VanDerWaalsContact O-CG2 3.29Å; E346-V350 WeakPolarHBondContact O-CG2 3.43Å; E346-V350 PolarHBondContact O-N 3.46Å; V347-V350 PolarHBondContact O-N 3.12Å; V350-M352 VanDerWaalsContact C-N 3.34Å; V350-M352 PolarHBondContact O-N 2.77Å; V350-V353 WeakPolarHBondContact O-CB 3.38Å; V350-V353 PolarHBondContact O-N 3.07Å; V350-V353 VanDerWaalsContact O-N 3.13Å; V350-V354 HydrophobicContact CG1-CG2 4.36Å; V350-V354 WeakPolarHBondContact O-CG2 3.5Å; V350-V354 PolarHBondContact O-N 2.64Å
351Q98.8Very high98.3Very high34 Ų3419 Ų1916%0.15910%0.101CC..Hα-helixtrans-60.5-43.2175.3-168.966.258.400111.4L115 Q116 V347 E348 V353 V354 D355L115-Q351 HydrophobicContact CD1-CB 4.2Å; Q116-Q351 PolarHBondContact O-NE2 3.41Å; Q116-Q351 PolarHBondContact O-OE1 3.23Å; V347-Q351 WeakPolarHBondContact O-CB 3.36Å; V347-Q351 PolarHBondContact O-N 3.31Å; E348-Q351 PolarHBondContact O-N 3.06Å; Q351-V353 VanDerWaalsContact C-N 3.26Å; Q351-V353 PolarHBondContact O-N 3.48Å; Q351-V354 PolarHBondContact O-N 3.41Å; Q351-D355 PolarHBondContact NE2-OD1 3.12Å; Q351-D355 WeakPolarHBondContact O-CB 3.16Å; Q351-D355 PolarHBondContact O-N 2.95Å
352M98.2Very high98.4Very high17 Ų1722.1 Ų22.18%0.08412%0.118CC..Hα-helixtrans-57.4-39.7174.7-76-175.9-113.900112.5R316 F344 E348 L349 V350 G356R316-M352 HydrophobicContact CB-SD 4.34Å; F344-M352 HydrophobicContact CB-CE 4.3Å; F344-M352 HydrophobicContact CD1-CE 3.44Å; F344-M352 VanDerWaalsContact CD1-CE 3.44Å; F344-M352 HydrophobicContact CE1-CE 3.8Å; F344-M352 HydrophobicContact CG-CE 3.84Å; F344-M352 HydrophobicContact CZ-CE 4.48Å; E348-M352 HydrophobicContact CB-CE 4.28Å; E348-M352 WeakPolarHBondContact O-CE 3.37Å; E348-M352 WeakPolarHBondContact O-CG 3.14Å; E348-M352 PolarHBondContact O-N 2.93Å; L349-M352 HydrophobicContact CD2-CE 4Å; L349-M352 PolarHBondContact O-N 2.94Å; V350-M352 VanDerWaalsContact C-N 3.34Å; V350-M352 PolarHBondContact O-N 2.77Å; M352-G356 PolarHBondContact O-N 2.74Å
353V98.6Very high98.5Very high0 Ų022 Ų220%012%0.118CC..Hα-helixtrans-67.9-48176.2175.20000111M246 A293 L317 N338 L349 V350 Q351 D355 G356 V357M246-V353 HydrophobicContact CE-CG1 4.31Å; A293-V353 HydrophobicContact CB-CG2 4.12Å; A293-V353 WeakPolarHBondContact O-CG2 3.31Å; L317-V353 HydrophobicContact CD2-CG2 4.05Å; N338-V353 HydrophobicContact CB-CG2 3.85Å; L349-V353 WeakPolarHBondContact O-CG2 3.08Å; L349-V353 PolarHBondContact O-N 3.45Å; V350-V353 WeakPolarHBondContact O-CB 3.38Å; V350-V353 PolarHBondContact O-N 3.07Å; V350-V353 VanDerWaalsContact O-N 3.13Å; Q351-V353 VanDerWaalsContact C-N 3.26Å; Q351-V353 PolarHBondContact O-N 3.48Å; V353-D355 PolarHBondContact O-N 3.08Å; V353-G356 PolarHBondContact O-N 3.21Å; V353-V357 HydrophobicContact CG1-CG2 4.05Å; V353-V357 VanDerWaalsContact O-CB 3.27Å; V353-V357 WeakPolarHBondContact O-CB 3.2Å; V353-V357 WeakPolarHBondContact O-CG2 3.14Å; V353-V357 PolarHBondContact O-N 3.21Å
354V98.8Very high98.5Very high2 Ų221.1 Ų21.11%0.01211%0.108CC..Hα-helixtrans-57.3-52.2178.8168.10000110.8L115 L121 M246 V350 Q351 G356 N358L115-V354 HydrophobicContact CD1-CG2 4.43Å; L121-V354 HydrophobicContact CD2-CG1 4.37Å; M246-V354 HydrophobicContact CB-CG2 4.18Å; M246-V354 HydrophobicContact CG-CG2 3.94Å; V350-V354 HydrophobicContact CG1-CG2 4.36Å; V350-V354 WeakPolarHBondContact O-CG2 3.5Å; V350-V354 PolarHBondContact O-N 2.64Å; Q351-V354 PolarHBondContact O-N 3.41Å; V354-G356 PolarHBondContact O-N 3.26Å; V354-N358 WeakPolarHBondContact O-CB 3.48Å; V354-N358 PolarHBondContact O-N 3.42Å; V354-N358 VanDerWaalsContact O-N 3.09Å; V354-N358 PolarHBondContact O-ND2 3.49Å
355D98.6Very high98.6Very high70 Ų7022.7 Ų22.737%0.37412%0.115SC..Hα-helixtrans-62-47-179.5-61.7-14000111.7Q351 V353 N358 L359 K381Q351-D355 PolarHBondContact NE2-OD1 3.12Å; Q351-D355 WeakPolarHBondContact O-CB 3.16Å; Q351-D355 PolarHBondContact O-N 2.95Å; V353-D355 PolarHBondContact O-N 3.08Å; D355-N358 PolarHBondContact O-N 3.35Å; D355-L359 PolarHBondContact O-N 3.48Å; D355-K381 IonicContact OD2-NZ 3.85Å; D355-K381 PolarHBondContact OD2-NZ 3.37Å
356G98.4Very high98.6Very high0 Ų025.3 Ų25.30%012%0.124CC..Hα-helixtrans-69.4-38.3-175.300000112.5M352 V353 V354 L359 L360M352-G356 PolarHBondContact O-N 2.74Å; V353-G356 PolarHBondContact O-N 3.21Å; V354-G356 PolarHBondContact O-N 3.26Å; G356-L359 PolarHBondContact O-N 3.29Å; G356-L360 VanDerWaalsContact O-CG 3.26Å; G356-L360 WeakPolarHBondContact O-CG 3.46Å; G356-L360 PolarHBondContact O-N 2.83Å
357V98.6Very high98.5Very high0 Ų027.1 Ų27.10%013%0.133CC..Hα-helixtrans-66.7-41.8175.5171.40000110.8L121 V126 V295 I336 V353 L359 L360 V361L121-V357 HydrophobicContact CD1-CG1 4.3Å; L121-V357 HydrophobicContact CD2-CG1 4.33Å; V126-V357 HydrophobicContact CG2-CG1 3.8Å; V295-V357 HydrophobicContact CG2-CB 4.46Å; V295-V357 HydrophobicContact CG2-CG1 4.04Å; V295-V357 HydrophobicContact CG2-CG2 3.51Å; I336-V357 HydrophobicContact CG2-CG2 4.41Å; V353-V357 HydrophobicContact CG1-CG2 4.05Å; V353-V357 VanDerWaalsContact O-CB 3.27Å; V353-V357 WeakPolarHBondContact O-CB 3.2Å; V353-V357 WeakPolarHBondContact O-CG2 3.14Å; V353-V357 PolarHBondContact O-N 3.21Å; V357-L359 VanDerWaalsContact C-N 3.32Å; V357-L359 PolarHBondContact O-N 2.88Å; V357-L360 PolarHBondContact O-N 3.11Å; V357-V361 HydrophobicContact CG1-CG2 4.39Å; V357-V361 WeakPolarHBondContact O-CG2 3.44Å; V357-V361 PolarHBondContact O-N 3.37Å
358N98.6Very high98.5Very high64 Ų6431.2 Ų31.234%0.34215%0.151SC..Hα-helixtrans-58.3-43.9174.2-83.9-30.4000112L121 V354 D355 V361 N362L121-N358 VanDerWaalsContact CD2-OD1 3.25Å; L121-N358 WeakPolarHBondContact CD2-OD1 3.32Å; V354-N358 WeakPolarHBondContact O-CB 3.48Å; V354-N358 PolarHBondContact O-N 3.42Å; V354-N358 VanDerWaalsContact O-N 3.09Å; V354-N358 PolarHBondContact O-ND2 3.49Å; D355-N358 PolarHBondContact O-N 3.35Å; N358-V361 PolarHBondContact O-N 3.32Å; N358-N362 WeakPolarHBondContact O-CB 3.27Å; N358-N362 PolarHBondContact O-N 3.47Å
359L98.6Very high98.5Very high38 Ų3831.3 Ų31.320%0.19916%0.163CC..Hα-helixtrans-64.1-44.8175.8-177.661.8000112.1L315 D355 G356 V357 V361 N362 M363 L376 P378L315-L359 HydrophobicContact CD1-CD2 4.33Å; L315-L359 HydrophobicContact CD2-CD2 4.03Å; D355-L359 PolarHBondContact O-N 3.48Å; G356-L359 PolarHBondContact O-N 3.29Å; V357-L359 VanDerWaalsContact C-N 3.32Å; V357-L359 PolarHBondContact O-N 2.88Å; L359-V361 VanDerWaalsContact C-N 3.33Å; L359-V361 PolarHBondContact O-N 3.36Å; L359-N362 WeakPolarHBondContact O-CB 3.17Å; L359-N362 PolarHBondContact O-N 3.09Å; L359-M363 HydrophobicContact CD1-CE 4.15Å; L359-M363 HydrophobicContact CD2-CE 4.01Å; L359-M363 HydrophobicContact CG-CE 3.91Å; L359-M363 HydrophobicContact CG-SD 4.39Å; L359-M363 WeakPolarHBondContact O-CG 3.4Å; L359-M363 PolarHBondContact O-N 3.44Å; L359-L376 HydrophobicContact CD1-CB 4.27Å; L359-P378 HydrophobicContact CD2-CB 3.85Å; L359-P378 HydrophobicContact CD2-CG 3.96Å
360L98.6Very high98.4Very high1 Ų134.8 Ų34.81%0.00520%0.199CC..Hα-helixtrans-61.1-40.9178.4-73.2171.6000112L299 F308 I311 L312 L315 L317 I336 G356 V357 M363 E364L299-L360 HydrophobicContact CD1-CB 4.4Å; L299-L360 HydrophobicContact CD1-CD1 4.26Å; L299-L360 HydrophobicContact CD2-CB 4.25Å; F308-L360 HydrophobicContact CE2-CD2 4.14Å; I311-L360 HydrophobicContact CG2-CD2 3.8Å; L312-L360 HydrophobicContact CD2-CD1 4.06Å; L315-L360 HydrophobicContact CD1-CG 4.3Å; L317-L360 HydrophobicContact CD1-CD1 4.21Å; I336-L360 HydrophobicContact CG2-CD1 4.17Å; G356-L360 VanDerWaalsContact O-CG 3.26Å; G356-L360 WeakPolarHBondContact O-CG 3.46Å; G356-L360 PolarHBondContact O-N 2.83Å; V357-L360 PolarHBondContact O-N 3.11Å; L360-M363 PolarHBondContact O-N 2.87Å; L360-E364 WeakPolarHBondContact O-CB 3.41Å; L360-E364 PolarHBondContact O-N 3.09Å
361V98.6Very high98.4Very high6 Ų639.7 Ų39.74%0.03622%0.222CC..Hα-helixtrans-66.4-38.4175.3169.90000111.2D122 Y125 V297 V357 N358 L359 E364 K365D122-V361 HydrophobicContact CB-CG1 4.06Å; Y125-V361 HydrophobicContact CD2-CG1 3.68Å; Y125-V361 HydrophobicContact CE2-CG1 4.1Å; Y125-V361 HydrophobicContact CG-CG1 3.98Å; Y125-V361 HydrophobicContact CG-CG2 4.24Å; V297-V361 HydrophobicContact CG2-CG2 4.16Å; V357-V361 HydrophobicContact CG1-CG2 4.39Å; V357-V361 WeakPolarHBondContact O-CG2 3.44Å; V357-V361 PolarHBondContact O-N 3.37Å; N358-V361 PolarHBondContact O-N 3.32Å; L359-V361 VanDerWaalsContact C-N 3.33Å; L359-V361 PolarHBondContact O-N 3.36Å; V361-E364 PolarHBondContact O-N 3.29Å; V361-K365 HydrophobicContact CG1-CD 4.29Å; V361-K365 WeakPolarHBondContact O-CG 3.27Å; V361-K365 PolarHBondContact O-N 2.8Å
362N98.5Very high98.3Very high71 Ų7141 Ų4138%0.3824%0.239SC..Hα-helixtrans-63.6-44174.6-171.115.5000111.8N358 L359 E364 K365 R366N358-N362 WeakPolarHBondContact O-CB 3.27Å; N358-N362 PolarHBondContact O-N 3.47Å; L359-N362 WeakPolarHBondContact O-CB 3.17Å; L359-N362 PolarHBondContact O-N 3.09Å; N362-E364 VanDerWaalsContact C-N 3.34Å; N362-E364 PolarHBondContact O-N 2.74Å; N362-K365 PolarHBondContact O-N 3.33Å; N362-R366 PolarHBondContact O-N 2.71Å
363M98.6Very high98.2Very high0 Ų040.2 Ų40.20%024%0.235CC..Hα-helixtrans-60.8-43173.7-70.5175.7170.700111.9V302 I311 L359 L360 R366 L367 I373 L376V302-M363 HydrophobicContact CG2-CB 4.16Å; V302-M363 HydrophobicContact CG2-SD 4.38Å; I311-M363 HydrophobicContact CD1-CE 4.18Å; I311-M363 HydrophobicContact CD1-SD 3.82Å; I311-M363 HydrophobicContact CG1-CE 4.34Å; I311-M363 HydrophobicContact CG1-SD 4.45Å; I311-M363 HydrophobicContact CG2-CE 4.28Å; I311-M363 HydrophobicContact CG2-SD 4.07Å; L359-M363 HydrophobicContact CD1-CE 4.15Å; L359-M363 HydrophobicContact CD2-CE 4.01Å; L359-M363 HydrophobicContact CG-CE 3.91Å; L359-M363 HydrophobicContact CG-SD 4.39Å; L359-M363 WeakPolarHBondContact O-CG 3.4Å; L359-M363 PolarHBondContact O-N 3.44Å; L360-M363 PolarHBondContact O-N 2.87Å; M363-R366 PolarHBondContact O-N 2.98Å; M363-L367 WeakPolarHBondContact O-CG 3.37Å; M363-L367 PolarHBondContact O-N 2.86Å; M363-I373 HydrophobicContact CB-CD1 4.38Å; M363-I373 HydrophobicContact CB-CG2 4.07Å; M363-I373 HydrophobicContact CG-CB 4.28Å; M363-I373 HydrophobicContact CG-CD1 4.37Å; M363-I373 HydrophobicContact CG-CG2 4.24Å; M363-I373 HydrophobicContact SD-CD1 4.27Å; M363-L376 HydrophobicContact CE-CB 3.71Å; M363-L376 WeakPolarHBondContact CE-O 3.25Å; M363-L376 HydrophobicContact CG-CB 4.12Å; M363-L376 HydrophobicContact CG-CD1 3.96Å
364E98.5Very high98.1Very high0 Ų044.5 Ų44.50%026%0.258CS..Hα-helixtrans-59.7-47.6177.4-173.363.2-152.100111.1Y125 L299 P300 N301 V302 L360 V361 N362 R366 L367 E368Y125-E364 HydrophobicContact CD1-CB 4.5Å; Y125-E364 HydrophobicContact CD1-CG 3.95Å; Y125-E364 HydrophobicContact CE1-CB 4.28Å; Y125-E364 HydrophobicContact CE1-CG 3.64Å; L299-E364 WeakPolarHBondContact CA-OE2 3.39Å; L299-E364 HydrophobicContact CD2-CB 4.06Å; L299-E364 HydrophobicContact CD2-CG 4.34Å; P300-E364 WeakPolarHBondContact CD-OE1 3.49Å; P300-E364 VanDerWaalsContact CG-OE1 3.26Å; P300-E364 WeakPolarHBondContact CG-OE1 3.07Å; N301-E364 VanDerWaalsContact CB-OE1 3.24Å; N301-E364 WeakPolarHBondContact CB-OE1 3.44Å; N301-E364 PolarHBondContact N-OE1 2.88Å; N301-E364 PolarHBondContact N-OE2 3.26Å; N301-E364 PolarHBondContact ND2-OE1 3.36Å; V302-E364 WeakPolarHBondContact CG1-OE2 3.34Å; V302-E364 PolarHBondContact N-OE2 3.37Å; L360-E364 WeakPolarHBondContact O-CB 3.41Å; L360-E364 PolarHBondContact O-N 3.09Å; V361-E364 PolarHBondContact O-N 3.29Å; N362-E364 VanDerWaalsContact C-N 3.34Å; N362-E364 PolarHBondContact O-N 2.74Å; E364-R366 VanDerWaalsContact C-N 3.34Å; E364-R366 PolarHBondContact O-N 2.71Å; E364-L367 PolarHBondContact O-N 3.19Å; E364-E368 WeakPolarHBondContact O-CG 3.44Å; E364-E368 PolarHBondContact O-N 3.46Å
365K98.6Very high98Very high86 Ų8649.6 Ų49.637%0.37429%0.285SS..Hα-helixtrans-58.5-41.7176.5-75.8172.8177.7-1790113.1D122 Y125 V361 N362 E368 A369D122-K365 WeakPolarHBondContact OD2-CE 3.08Å; D122-K365 IonicContact OD2-NZ 3.87Å; D122-K365 PolarHBondContact OD2-NZ 2.83Å; Y125-K365 HydrophobicContact CE2-CD 4.4Å; Y125-K365 HydrophobicContact CE2-CG 4.09Å; Y125-K365 VanDerWaalsContact OH-CG 3.25Å; Y125-K365 WeakPolarHBondContact OH-CG 3.34Å; V361-K365 HydrophobicContact CG1-CD 4.29Å; V361-K365 WeakPolarHBondContact O-CG 3.27Å; V361-K365 PolarHBondContact O-N 2.8Å; N362-K365 PolarHBondContact O-N 3.33Å; K365-E368 PolarHBondContact O-N 3.04Å; K365-A369 PolarHBondContact O-N 3.31Å; K365-A369 VanDerWaalsContact O-N 3.1Å
366R98.3Very high97.9Very high62 Ų6247.5 Ų47.523%0.23427%0.274CS..Hα-helixtrans-63.6-45.5176.1-78.1-141-173.2164.55.6112N362 M363 E364 E368 A369 G370 E371 A372 I373 D375 L376N362-R366 PolarHBondContact O-N 2.71Å; M363-R366 PolarHBondContact O-N 2.98Å; E364-R366 VanDerWaalsContact C-N 3.34Å; E364-R366 PolarHBondContact O-N 2.71Å; R366-E368 VanDerWaalsContact C-N 3.31Å; R366-E368 PolarHBondContact O-N 3.03Å; R366-A369 CarbonylContact O-C 3.5Å; R366-A369 WeakPolarHBondContact O-CA 3.48Å; R366-A369 WeakPolarHBondContact O-CB 2.84Å; R366-A369 PolarHBondContact O-N 3Å; R366-A369 VanDerWaalsContact O-N 3.09Å; R366-G370 PolarHBondContact O-N 2.78Å; R366-G370 VanDerWaalsContact O-N 3.15Å; R366-E371 HydrophobicContact CB-CB 4.11Å; R366-E371 WeakPolarHBondContact CD-OE2 3.38Å; R366-E371 IonicContact NE-OE2 3.37Å; R366-E371 WeakPolarHBondContact O-CB 3.13Å; R366-E371 PolarHBondContact O-N 3.4Å; R366-A372 PolarHBondContact NH1-O 2.79Å; R366-I373 HydrophobicContact CB-CG2 3.93Å; R366-D375 IonicContact CZ-OD1 3.43Å; R366-D375 IonicContact CZ-OD2 3.84Å; R366-D375 IonicContact NH1-OD1 2.65Å; R366-D375 PolarHBondContact NH1-OD1 2.92Å; R366-D375 IonicContact NH1-OD2 3.03Å; R366-D375 PolarHBondContact NH1-OD2 3.15Å; R366-D375 IonicContact NH2-OD2 2.76Å; R366-D375 PolarHBondContact NH2-OD2 3.43Å; R366-L376 HydrophobicContact CG-CD1 4.27Å
367L98.1Very high97.8Very high39 Ų3949.3 Ų49.320%0.20428%0.283CS..Hα-helixtrans-65.4-35.5177.8-67.2173.2000112N301 V302 M363 E364 A369 G370 I373N301-L367 HydrophobicContact CB-CB 3.73Å; N301-L367 HydrophobicContact CB-CD1 4.05Å; V302-L367 HydrophobicContact CB-CD1 3.86Å; V302-L367 HydrophobicContact CG2-CD1 4.28Å; M363-L367 WeakPolarHBondContact O-CG 3.37Å; M363-L367 PolarHBondContact O-N 2.86Å; E364-L367 PolarHBondContact O-N 3.19Å; L367-A369 VanDerWaalsContact C-N 3.27Å; L367-A369 PolarHBondContact O-N 2.71Å; L367-G370 PolarHBondContact O-N 3.44Å; L367-G370 VanDerWaalsContact O-N 3.07Å; L367-I373 HydrophobicContact CD1-CD1 4.22Å; L367-I373 HydrophobicContact CD1-CG2 4.49Å; L367-I373 HydrophobicContact CD2-CG1 4.48Å; L367-I373 HydrophobicContact CD2-CG2 4.04Å; L367-I373 HydrophobicContact CG-CG2 3.87Å
368E97.6Very high97.7Very high98 Ų9850.1 Ų50.146%0.45829%0.288SS..Hα-helixtrans-61.8-34.2171.6-73.3174.9163.400112.5Y125 N301 E364 K365 R366 G370Y125-E368 PolarHBondContact OH-OE2 3.48Å; N301-E368 WeakPolarHBondContact ND2-CG 3.35Å; E364-E368 WeakPolarHBondContact O-CG 3.44Å; E364-E368 PolarHBondContact O-N 3.46Å; K365-E368 PolarHBondContact O-N 3.04Å; R366-E368 VanDerWaalsContact C-N 3.31Å; R366-E368 PolarHBondContact O-N 3.03Å; E368-G370 VanDerWaalsContact C-N 3.28Å
369A97.9Very high97.5Very high69 Ų6955.2 Ų55.257%0.5731%0.31SS*.THydrogen-bonded Turntrans-80.8-2.8174.100000114K365 R366 L367 E371K365-A369 PolarHBondContact O-N 3.31Å; K365-A369 VanDerWaalsContact O-N 3.1Å; R366-A369 CarbonylContact O-C 3.5Å; R366-A369 WeakPolarHBondContact O-CA 3.48Å; R366-A369 WeakPolarHBondContact O-CB 2.84Å; R366-A369 PolarHBondContact O-N 3Å; R366-A369 VanDerWaalsContact O-N 3.09Å; L367-A369 VanDerWaalsContact C-N 3.27Å; L367-A369 PolarHBondContact O-N 2.71Å; A369-E371 VanDerWaalsContact C-N 3.35Å; A369-E371 HydrophobicContact CB-CG 4.13Å
370G97.2Very high97.2Very high73 Ų7358.4 Ų58.475%0.75332%0.324SS*.THydrogen-bonded Turntrans76.718.9-176.100000114.3R366 L367 E368R366-G370 PolarHBondContact O-N 2.78Å; R366-G370 VanDerWaalsContact O-N 3.15Å; L367-G370 PolarHBondContact O-N 3.44Å; L367-G370 VanDerWaalsContact O-N 3.07Å; E368-G370 VanDerWaalsContact C-N 3.28Å
371E97.9Very high96.5Very high104 Ų10463.5 Ų63.549%0.48635%0.346SS..  trans-93.9152.3-179.9-60.2178.217700112R366 A369R366-E371 HydrophobicContact CB-CB 4.11Å; R366-E371 WeakPolarHBondContact CD-OE2 3.38Å; R366-E371 IonicContact NE-OE2 3.37Å; R366-E371 WeakPolarHBondContact O-CB 3.13Å; R366-E371 PolarHBondContact O-N 3.4Å; A369-E371 VanDerWaalsContact C-N 3.35Å; A369-E371 HydrophobicContact CB-CG 4.13Å
372A96.9Very high96.4Very high61 Ų6166.4 Ų66.450%0.50436%0.361SS..  trans-75.3155.617500000112.1R366R366-A372 PolarHBondContact NH1-O 2.79Å
373I97.9Very high96.3Very high1 Ų166.2 Ų66.21%0.00536%0.36CS..  trans-118.48.3-179.162.4165.2000113.4V302 I311 M363 R366 L367 D375 L376V302-I373 HydrophobicContact CG2-CD1 4.26Å; I311-I373 HydrophobicContact CD1-CD1 4.23Å; M363-I373 HydrophobicContact CB-CD1 4.38Å; M363-I373 HydrophobicContact CB-CG2 4.07Å; M363-I373 HydrophobicContact CG-CB 4.28Å; M363-I373 HydrophobicContact CG-CD1 4.37Å; M363-I373 HydrophobicContact CG-CG2 4.24Å; M363-I373 HydrophobicContact SD-CD1 4.27Å; R366-I373 HydrophobicContact CB-CG2 3.93Å; L367-I373 HydrophobicContact CD1-CD1 4.22Å; L367-I373 HydrophobicContact CD1-CG2 4.49Å; L367-I373 HydrophobicContact CD2-CG1 4.48Å; L367-I373 HydrophobicContact CD2-CG2 4.04Å; L367-I373 HydrophobicContact CG-CG2 3.87Å; I373-D375 PolarHBondContact O-N 3.38Å; I373-L376 HydrophobicContact CG2-CD1 4.46Å; I373-L376 WeakPolarHBondContact O-CB 3.19Å; I373-L376 PolarHBondContact O-N 3.35Å
374D95.6Very high96.1Very high90 Ų9069.8 Ų69.848%0.48138%0.38SS..G310 helixtrans-61.5-32.3-176-65.2-79.8000113.1K307 L376 M377K307-D374 IonicContact NZ-OD1 2.65Å; K307-D374 PolarHBondContact NZ-OD1 3.19Å; D374-L376 VanDerWaalsContact C-N 3.26Å; D374-L376 PolarHBondContact O-N 3.2Å; D374-M377 WeakPolarHBondContact O-CG 3.35Å
375D96.3Very high96Very high108 Ų10873.9 Ų73.958%0.57840%0.403SS*.G310 helixtrans-74.8-13.9174.864.5-50.8000113.4R366 I373R366-D375 IonicContact CZ-OD1 3.43Å; R366-D375 IonicContact CZ-OD2 3.84Å; R366-D375 IonicContact NH1-OD1 2.65Å; R366-D375 PolarHBondContact NH1-OD1 2.92Å; R366-D375 IonicContact NH1-OD2 3.03Å; R366-D375 PolarHBondContact NH1-OD2 3.15Å; R366-D375 IonicContact NH2-OD2 2.76Å; R366-D375 PolarHBondContact NH2-OD2 3.43Å; I373-D375 PolarHBondContact O-N 3.38Å
376L96.5Very high95.8Very high27 Ų2773.2 Ų73.214%0.14140%0.404CS..G310 helixtrans-95.20.4178.2-62.1-177.6000113L359 M363 R366 I373 D374 P378L359-L376 HydrophobicContact CD1-CB 4.27Å; M363-L376 HydrophobicContact CE-CB 3.71Å; M363-L376 WeakPolarHBondContact CE-O 3.25Å; M363-L376 HydrophobicContact CG-CB 4.12Å; M363-L376 HydrophobicContact CG-CD1 3.96Å; R366-L376 HydrophobicContact CG-CD1 4.27Å; I373-L376 HydrophobicContact CG2-CD1 4.46Å; I373-L376 WeakPolarHBondContact O-CB 3.19Å; I373-L376 PolarHBondContact O-N 3.35Å; D374-L376 VanDerWaalsContact C-N 3.26Å; D374-L376 PolarHBondContact O-N 3.2Å; L376-P378 WeakPolarHBondContact O-CD 3.31Å; L376-P378 VanDerWaalsContact O-N 3.17Å
377M96.6Very high95.7Very high37 Ų3773.9 Ų73.918%0.18242%0.416CS..PPolyproline II helixtrans-59.9118.3-179.8-74.5-62.3-59.400110.7K307 E310 I311 D374K307-M377 HydrophobicContact CB-CE 4.32Å; K307-M377 HydrophobicContact CB-SD 4.21Å; K307-M377 HydrophobicContact CD-CE 4.12Å; K307-M377 HydrophobicContact CD-SD 3.8Å; E310-M377 HydrophobicContact CG-CE 4.36Å; I311-M377 HydrophobicContact CD1-SD 3.98Å; I311-M377 HydrophobicContact CG1-CE 3.81Å; I311-M377 HydrophobicContact CG1-SD 3.61Å; D374-M377 WeakPolarHBondContact O-CG 3.35Å
378P95.6Very high95.5Very high17 Ų1776.4 Ų76.411%0.1143%0.431CS..PPolyproline II helixtrans-70156.2-176.827.5-32.8000111.1I311 R314 L315 L359 L376I311-P378 HydrophobicContact CG2-CG 4.48Å; R314-P378 HydrophobicContact CB-CG 3.96Å; R314-P378 WeakPolarHBondContact CD-O 3.36Å; R314-P378 PolarHBondContact NH1-O 3.15Å; L315-P378 HydrophobicContact CD2-CB 3.79Å; L315-P378 HydrophobicContact CD2-CG 3.86Å; L315-P378 HydrophobicContact CG-CB 4.36Å; L315-P378 HydrophobicContact CG-CG 3.87Å; L359-P378 HydrophobicContact CD2-CB 3.85Å; L359-P378 HydrophobicContact CD2-CG 3.96Å; L376-P378 WeakPolarHBondContact O-CD 3.31Å; L376-P378 VanDerWaalsContact O-N 3.17Å
379E94.6Very high95.4Very high171 Ų17174.8 Ų74.880%0.79943%0.429SS*.PPolyproline II helixtrans-70.4161.1164.4-65.2-173.4171.300110.6K381E379-K381 PolarHBondContact O-N 3.17Å
380Q92.7Very high95.1Very high106 Ų10675.3 Ų75.350%0.49542%0.417SS..PPolyproline II helixtrans-71.1116.6175.7178.961.766.200109.4K313K313-Q380 PolarHBondContact O-NE2 3.02Å
381K83.9Confident94.9Very high108 Ų10875.5 Ų75.547%0.4739%0.387SS..  trans-76.70170.9-69.2-172.6175.2-168.50112.7R314 R316 D355 E379R314-K381 WeakPolarHBondContact O-CB 3.33Å; R314-K381 PolarHBondContact O-N 2.9Å; R316-K381 WeakPolarHBondContact CD-O 3.48Å; R316-K381 HydrophobicContact CG-CB 3.95Å; R316-K381 PolarHBondContact NH1-O 3.47Å; R316-K381 VanDerWaalsContact NH1-O 3.16Å; D355-K381 IonicContact OD2-NZ 3.85Å; D355-K381 PolarHBondContact OD2-NZ 3.37Å; E379-K381 PolarHBondContact O-N 3.17Å

Retrieved 381 of 381 residues in 80.3 ms (Link to these results)

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