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Dolichol-phosphate mannosyltransferase subunit 1

Transfers mannose from GDP-mannose to dolichol monophosphate to form dolichol phosphate mannose (Dol-P-Man) which is the mannosyl donor in pathways leading to N-glycosylation, glycosyl phosphatidylinositol membrane anchoring, and O-mannosylation of proteins.

AlphaFold DB , UniProt , Accession G4VIT8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 237 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
1M80.2Confident95.5Very high204 Ų20435.2 Ų35.2100%1.00518%0.176SC*.  0140.60-69.6-178.3-142.200107.9P34M1-P34 HydrophobicContact CB-CG 3.81Å; M1-P34 HydrophobicContact SD-CG 4.14Å
2T93.3Very high95.4Very high47 Ų4737.9 Ų37.929%0.28819%0.192SC..  trans-63.4133.6177.6-50.10000111.2Y4 D89 F90T2-Y4 HydrophobicContact CG2-CE2 4.42Å; T2-D89 HydrophobicContact CG2-CB 4.21Å; T2-F90 HydrophobicContact CG2-CD2 3.52Å; T2-F90 HydrophobicContact CG2-CE2 3.74Å
3L97.6Very high95.4Very high51 Ų5136.1 Ų36.127%0.26718%0.182SC..  trans-90.2136.8175.1178.868.2000110.1P34 K87 G88 D89L3-P34 HydrophobicContact CD1-CB 4.04Å; L3-K87 HydrophobicContact CD2-CB 3.77Å; L3-G88 CarbonylContact O-C 3.59Å; L3-G88 WeakPolarHBondContact O-CA 3.46Å; L3-D89 PolarHBondContact O-N 3.13Å
4Y98.6Very high95.5Very high1 Ų139.7 Ų39.70%0.00420%0.196CC..EExtended strand (participates in β ladder)trans-109.6126175.5-62.6-90.1000110.4T2 M28 F33 P34 Y35 E36 F90 I92 I109 K113 L166T2-Y4 HydrophobicContact CG2-CE2 4.42Å; Y4-M28 HydrophobicContact CD2-CE 4.46Å; Y4-F33 HydrophobicContact CD2-CB 4.2Å; Y4-F33 HydrophobicContact CE2-CB 4.28Å; Y4-F33 HydrophobicContact CE2-CD1 4.3Å; Y4-F33 HydrophobicContact CE2-CG 4.39Å; Y4-P34 PolarHBondContact N-O 3.49Å; Y4-P34 VanDerWaalsContact N-O 3.07Å; Y4-Y35 CarbonylContact O-C 3.58Å; Y4-Y35 WeakPolarHBondContact O-CA 3.43Å; Y4-Y35 WeakPolarHBondContact O-CB 3.29Å; Y4-E36 PolarHBondContact O-N 3.46Å; Y4-F90 HydrophobicContact CD1-CB 3.54Å; Y4-F90 HydrophobicContact CD1-CG 4.29Å; Y4-F90 HydrophobicContact CE1-CB 3.68Å; Y4-F90 AromaticContact CE1-CD2 3.93Å; Y4-F90 HydrophobicContact CE1-CD2 3.93Å; Y4-F90 AromaticContact CE1-CG 3.91Å; Y4-F90 HydrophobicContact CE1-CG 3.91Å; Y4-I92 HydrophobicContact CD1-CD1 4.3Å; Y4-I109 HydrophobicContact CD1-CD1 3.92Å; Y4-I109 HydrophobicContact CD1-CG1 4.01Å; Y4-I109 HydrophobicContact CD2-CD1 4.04Å; Y4-I109 HydrophobicContact CE1-CB 4.46Å; Y4-I109 HydrophobicContact CE1-CD1 3.84Å; Y4-I109 HydrophobicContact CE1-CG1 3.6Å; Y4-I109 HydrophobicContact CE1-CG2 4.21Å; Y4-I109 HydrophobicContact CE2-CD1 3.93Å; Y4-I109 HydrophobicContact CE2-CG1 4.44Å; Y4-I109 HydrophobicContact CE2-CG2 4.33Å; Y4-I109 HydrophobicContact CG-CD1 4.05Å; Y4-I109 VanDerWaalsContact OH-CG2 3.25Å; Y4-I109 WeakPolarHBondContact OH-CG2 3.48Å; Y4-K113 VanDerWaalsContact OH-CE 3.24Å; Y4-K113 WeakPolarHBondContact OH-CE 3.3Å; Y4-L166 HydrophobicContact CD1-CD1 4.46Å; Y4-L166 HydrophobicContact CE1-CD1 4.3Å
5S98.8Very high95.5Very high0 Ų043.7 Ų43.70%021%0.214CC..EExtended strand (participates in β ladder)trans-96.7121.9171-54.40000109.2E36 K87 G88 F90 I91 I92S5-E36 PolarHBondContact OG-OE1 2.95Å; S5-K87 PolarHBondContact OG-N 3.34Å; S5-G88 WeakPolarHBondContact OG-CA 3.34Å; S5-G88 PolarHBondContact OG-N 2.88Å; S5-F90 PolarHBondContact N-O 3.06Å; S5-I91 CarbonylContact O-C 3.55Å; S5-I91 VanDerWaalsContact O-CA 3.32Å; S5-I91 WeakPolarHBondContact O-CA 3.32Å; S5-I92 PolarHBondContact O-N 3.41Å
6I98.7Very high95.6Very high0 Ų041.2 Ų41.20%020%0.202CC..EExtended strand (participates in β ladder)trans-98.3118.3175.4-55.6171.4000107I24 M28 Y35 E36 L37 I38 I92 M94 I105I6-I24 HydrophobicContact CD1-CG2 3.46Å; I6-I24 VanDerWaalsContact CD1-CG2 3.46Å; I6-I24 HydrophobicContact CG2-CD1 4.35Å; I6-M28 HydrophobicContact CD1-CG 4.13Å; I6-M28 HydrophobicContact CD1-SD 4.36Å; I6-Y35 HydrophobicContact CD1-CD2 3.92Å; I6-E36 PolarHBondContact N-O 3.39Å; I6-L37 HydrophobicContact CB-CD1 3.78Å; I6-L37 HydrophobicContact CG2-CD1 3.63Å; I6-L37 CarbonylContact O-C 3.53Å; I6-L37 WeakPolarHBondContact O-CA 3.45Å; I6-I38 PolarHBondContact O-N 2.91Å; I6-I92 CarbonylContact C-O 3.54Å; I6-I92 VanDerWaalsContact CA-O 3.32Å; I6-I92 WeakPolarHBondContact CA-O 3.31Å; I6-I92 HydrophobicContact CG1-CB 4.16Å; I6-I92 HydrophobicContact CG1-CD1 4.1Å; I6-I92 HydrophobicContact CG2-CG2 4.43Å; I6-M94 HydrophobicContact CG2-CG 4.31Å; I6-M94 HydrophobicContact CG2-SD 4.26Å; I6-I105 HydrophobicContact CD1-CD1 4Å
7I98.3Very high95.7Very high0 Ų038.8 Ų38.80%019%0.19CC..EExtended strand (participates in β ladder)trans-99.8124.4176.4-58.7175.7000108.4I38 V40 Y79 L83 I91 I92 I93 M94I7-I38 WeakPolarHBondContact CA-O 3.43Å; I7-I38 HydrophobicContact CG1-CB 4.39Å; I7-I38 HydrophobicContact CG1-CD1 4.32Å; I7-V40 HydrophobicContact CG2-CG2 3.97Å; I7-Y79 HydrophobicContact CG2-CD1 4.02Å; I7-L83 HydrophobicContact CD1-CD2 4.39Å; I7-L83 HydrophobicContact CD1-CG 4.18Å; I7-I91 HydrophobicContact CD1-CG2 3.55Å; I7-I91 HydrophobicContact CG1-CG2 3.93Å; I7-I92 PolarHBondContact N-O 3.43Å; I7-I93 HydrophobicContact CB-CG2 4.36Å; I7-M94 PolarHBondContact O-N 3.2Å
8L97.5Very high95.8Very high0 Ų039.2 Ų39.20%020%0.196CC..EExtended strand (participates in β ladder)trans-120.894.3-177.7-162.669.5000109.2T10 L17 I20 L37 I38 V40 M94 A96L8-T10 HydrophobicContact CD2-CG2 4.47Å; L8-T10 HydrophobicContact CG-CG2 4.34Å; L8-L17 HydrophobicContact CD2-CD1 3.64Å; L8-I20 HydrophobicContact CD2-CG2 3.78Å; L8-L37 HydrophobicContact CB-CD1 3.98Å; L8-L37 HydrophobicContact CD2-CD1 4.44Å; L8-I38 PolarHBondContact N-O 3.36Å; L8-V40 PolarHBondContact O-N 3.42Å; L8-M94 HydrophobicContact CD1-CG 3.75Å; L8-M94 WeakPolarHBondContact CD1-O 3.48Å; L8-A96 HydrophobicContact CD1-CB 3.95Å; L8-A96 HydrophobicContact CD2-CB 3.96Å; L8-A96 HydrophobicContact CG-CB 3.76Å
9P96.1Very high95.9Very high16 Ų1640.3 Ų40.310%0.10420%0.202CC..EExtended strand (participates in β ladder)trans-66131.5171-16.230.6000110.1L75 A78 Y79 M94P9-L75 HydrophobicContact CB-CD1 4.01Å; P9-L75 HydrophobicContact CG-CD1 3.89Å; P9-A78 HydrophobicContact CB-CB 4.18Å; P9-A78 HydrophobicContact CG-CB 4.42Å; P9-Y79 HydrophobicContact CG-CD1 3.93Å; P9-Y79 HydrophobicContact CG-CE1 3.3Å; P9-M94 WeakPolarHBondContact CD-O 3.24Å
10T96.2Very high96Very high2 Ų238.3 Ų38.31%0.01219%0.192CC..EExtended strand (participates in β ladder)trans-128.3137.1-178.359.20000111.4L8 E13 L17 I39 V40 D41 D42 A96L8-T10 HydrophobicContact CD2-CG2 4.47Å; L8-T10 HydrophobicContact CG-CG2 4.34Å; T10-E13 HydrophobicContact CG2-CB 4.29Å; T10-E13 HydrophobicContact CG2-CG 4.38Å; T10-L17 HydrophobicContact CG2-CD1 4.01Å; T10-I39 HydrophobicContact CG2-CG2 3.9Å; T10-V40 PolarHBondContact N-O 3.32Å; T10-V40 PolarHBondContact OG1-O 2.93Å; T10-D41 VanDerWaalsContact OG1-CA 3.28Å; T10-D41 WeakPolarHBondContact OG1-CA 3.13Å; T10-D41 PolarHBondContact OG1-OD1 3.18Å; T10-D42 PolarHBondContact O-N 2.84Å; T10-A96 HydrophobicContact CG2-CB 3.76Å
11Y95.1Very high96.1Very high66 Ų6636.5 Ų36.526%0.25918%0.183SC..SBendtrans-151.9113.4166.7-179-96.3000109.2D42 S44 K72Y11-D42 HydrophobicContact CD2-CB 3.83Å; Y11-D42 WeakPolarHBondContact CD2-O 3.49Å; Y11-D42 HydrophobicContact CG-CB 4.44Å; Y11-S44 VanDerWaalsContact CA-OG 3.29Å; Y11-S44 WeakPolarHBondContact CA-OG 3.35Å; Y11-K72 HydrophobicContact CD1-CD 3.74Å; Y11-K72 HydrophobicContact CD1-CG 4.44Å; Y11-K72 HydrophobicContact CD2-CD 3.72Å; Y11-K72 HydrophobicContact CD2-CG 3.57Å; Y11-K72 HydrophobicContact CE1-CD 3.71Å; Y11-K72 HydrophobicContact CE2-CD 3.68Å; Y11-K72 HydrophobicContact CE2-CG 3.76Å; Y11-K72 HydrophobicContact CG-CD 3.73Å; Y11-K72 HydrophobicContact CG-CG 3.92Å
12N95Very high96.9Very high68 Ų6833.5 Ų33.536%0.36416%0.161SC..SBendtrans57.258.7-171.5-66.3-14.9000112.9S44 P45 D46N12-S44 PolarHBondContact N-OG 3.4Å; N12-P45 WeakPolarHBondContact OD1-CD 3.38Å; N12-P45 WeakPolarHBondContact OD1-CG 3.25Å; N12-D46 WeakPolarHBondContact CA-OD2 3.29Å
13E95.4Very high97.2Very high14 Ų1432.5 Ų32.57%0.06515%0.153CC..  trans-123.622.7-175.3-59.5-66.5170.800111.7T10 E15 N16 L17 D46 T48 A96T10-E13 HydrophobicContact CG2-CB 4.29Å; T10-E13 HydrophobicContact CG2-CG 4.38Å; E13-E15 VanDerWaalsContact C-N 3.26Å; E13-E15 PolarHBondContact O-N 2.9Å; E13-N16 PolarHBondContact O-N 3.44Å; E13-N16 VanDerWaalsContact O-N 3.13Å; E13-N16 PolarHBondContact OE2-ND2 2.98Å; E13-L17 WeakPolarHBondContact O-CB 3.31Å; E13-L17 PolarHBondContact O-N 2.75Å; E13-D46 PolarHBondContact N-OD2 2.96Å; E13-T48 HydrophobicContact CB-CG2 4.29Å; E13-T48 PolarHBondContact N-OG1 2.92Å; E13-A96 HydrophobicContact CB-CB 4.24Å; E13-A96 HydrophobicContact CG-CB 3.92Å
14K96.5Very high97.2Very high87 Ų8730.1 Ų30.138%0.37814%0.141SC..THydrogen-bonded Turntrans-51.9-41.4-175.6168.9170.2173-1720113.6P18 D46 T48 V51K14-P18 WeakPolarHBondContact O-CD 3.3Å; K14-D46 HydrophobicContact CB-CB 4.44Å; K14-D46 WeakPolarHBondContact CB-OD2 3.18Å; K14-D46 WeakPolarHBondContact CD-O 3.37Å; K14-D46 PolarHBondContact N-OD2 3.33Å; K14-D46 PolarHBondContact NZ-O 3.43Å; K14-D46 VanDerWaalsContact NZ-O 3.08Å; K14-T48 PolarHBondContact N-OG1 2.93Å; K14-T48 VanDerWaalsContact N-OG1 3.09Å; K14-V51 HydrophobicContact CG-CG2 3.9Å
15E95.9Very high97.2Very high100 Ų10031.1 Ų31.147%0.46715%0.146SC..THydrogen-bonded Turntrans-80.1-35.6-179.5-63.875-16300112.4E13 Y213E13-E15 VanDerWaalsContact C-N 3.26Å; E13-E15 PolarHBondContact O-N 2.9Å; E15-Y213 HydrophobicContact CB-CD2 3.73Å; E15-Y213 HydrophobicContact CB-CE2 4.16Å; E15-Y213 HydrophobicContact CB-CG 4.12Å
16N95.9Very high97.2Very high3 Ų336.9 Ų36.92%0.01617%0.171CC..Hα-helixtrans-76.7-37.9-178.5-69.3-47000112E13 I19 I20 A96 Y213E13-N16 PolarHBondContact O-N 3.44Å; E13-N16 VanDerWaalsContact O-N 3.13Å; E13-N16 PolarHBondContact OE2-ND2 2.98Å; N16-I19 PolarHBondContact O-N 3.17Å; N16-I19 VanDerWaalsContact O-N 3.08Å; N16-I20 WeakPolarHBondContact O-CG2 3.3Å; N16-I20 PolarHBondContact O-N 3.31Å; N16-A96 WeakPolarHBondContact CB-O 3.37Å; N16-Y213 VanDerWaalsContact OD1-CD2 3.29Å; N16-Y213 WeakPolarHBondContact OD1-CD2 3.48Å
17L97.4Very high97.1Very high0 Ų037.9 Ų37.90%018%0.177CC..Hα-helixtrans-58.8-43-168.2-173.860.9000114.2L8 T10 E13 I19 I20 T21 I39 T48 V51 A52 L55L8-L17 HydrophobicContact CD2-CD1 3.64Å; T10-L17 HydrophobicContact CG2-CD1 4.01Å; E13-L17 WeakPolarHBondContact O-CB 3.31Å; E13-L17 PolarHBondContact O-N 2.75Å; L17-I19 PolarHBondContact O-N 3.15Å; L17-I20 HydrophobicContact CD1-CG2 4.28Å; L17-I20 WeakPolarHBondContact O-CG2 3.48Å; L17-T21 WeakPolarHBondContact O-CB 3.39Å; L17-T21 PolarHBondContact O-N 3.19Å; L17-T21 PolarHBondContact O-OG1 3.35Å; L17-I39 HydrophobicContact CD1-CD1 3.92Å; L17-I39 HydrophobicContact CD1-CG1 4.19Å; L17-I39 HydrophobicContact CD1-CG2 4.29Å; L17-I39 HydrophobicContact CD2-CD1 4.21Å; L17-I39 HydrophobicContact CD2-CG2 4.17Å; L17-I39 HydrophobicContact CG-CD1 4.38Å; L17-T48 HydrophobicContact CD2-CG2 3.69Å; L17-V51 HydrophobicContact CB-CG1 4.42Å; L17-V51 HydrophobicContact CD2-CG1 4.31Å; L17-A52 HydrophobicContact CD2-CB 3.84Å; L17-L55 HydrophobicContact CD2-CD1 4.18Å; L17-L55 HydrophobicContact CG-CD1 3.74Å
18P97.7Very high97.1Very high47 Ų4737.9 Ų37.931%0.30518%0.177SC..Hα-helixtrans-63-41.1175-2334.5000112.9K14 W22 V51 L55K14-P18 WeakPolarHBondContact O-CD 3.3Å; P18-W22 WeakPolarHBondContact O-CB 3.37Å; P18-W22 PolarHBondContact O-N 2.81Å; P18-V51 HydrophobicContact CG-CG1 3.58Å; P18-L55 HydrophobicContact CB-CD2 4.37Å
19I97.5Very high97.1Very high60 Ų6041.9 Ų41.931%0.30820%0.199SC..Hα-helixtrans-68.2-52.2-176.3-57.4172.5000109.5N16 L17 T21 W22 I23 L98 Y213N16-I19 PolarHBondContact O-N 3.17Å; N16-I19 VanDerWaalsContact O-N 3.08Å; L17-I19 PolarHBondContact O-N 3.15Å; I19-T21 VanDerWaalsContact C-N 3.31Å; I19-T21 PolarHBondContact O-N 3.13Å; I19-W22 PolarHBondContact O-N 3.47Å; I19-I23 HydrophobicContact CG2-CD1 3.87Å; I19-I23 HydrophobicContact CG2-CG1 4.48Å; I19-I23 VanDerWaalsContact O-CG1 3.31Å; I19-I23 WeakPolarHBondContact O-CG1 3.31Å; I19-I23 PolarHBondContact O-N 2.62Å; I19-L98 HydrophobicContact CB-CD1 4.19Å; I19-L98 HydrophobicContact CD1-CD1 4.48Å; I19-L98 HydrophobicContact CG2-CD1 3.9Å; I19-L98 HydrophobicContact CG2-CD2 4.04Å; I19-Y213 HydrophobicContact CD1-CE2 3.87Å
20I97.5Very high97.2Very high0 Ų050.1 Ų50.10%023%0.233CC..Hα-helixtrans-62.1-40.3-179.9-169.969.4000111.3L8 N16 L17 W22 I23 I24 M94 L98 P102L8-I20 HydrophobicContact CD2-CG2 3.78Å; N16-I20 WeakPolarHBondContact O-CG2 3.3Å; N16-I20 PolarHBondContact O-N 3.31Å; L17-I20 HydrophobicContact CD1-CG2 4.28Å; L17-I20 WeakPolarHBondContact O-CG2 3.48Å; I20-W22 PolarHBondContact O-N 2.98Å; I20-I23 PolarHBondContact O-N 3.07Å; I20-I24 HydrophobicContact CG1-CD1 3.9Å; I20-I24 HydrophobicContact CG1-CG1 4.39Å; I20-I24 WeakPolarHBondContact O-CB 3.4Å; I20-I24 VanDerWaalsContact O-CG1 3.25Å; I20-I24 WeakPolarHBondContact O-CG1 3.44Å; I20-I24 PolarHBondContact O-N 3.27Å; I20-M94 HydrophobicContact CD1-CE 3.76Å; I20-M94 HydrophobicContact CG1-CE 4.37Å; I20-L98 HydrophobicContact CB-CD2 3.93Å; I20-L98 HydrophobicContact CB-CG 4.41Å; I20-L98 HydrophobicContact CD1-CD2 3.62Å; I20-L98 HydrophobicContact CD1-CG 4.41Å; I20-L98 HydrophobicContact CG1-CD2 4.37Å; I20-P102 HydrophobicContact CD1-CG 3.53Å
21T98.4Very high97.2Very high0 Ų052 Ų520%025%0.247CC..Hα-helixtrans-61-45.7177.2-60.80000111.4L17 I19 I24 D25 L37 L55 F59 I64L17-T21 WeakPolarHBondContact O-CB 3.39Å; L17-T21 PolarHBondContact O-N 3.19Å; L17-T21 PolarHBondContact O-OG1 3.35Å; I19-T21 VanDerWaalsContact C-N 3.31Å; I19-T21 PolarHBondContact O-N 3.13Å; T21-I24 PolarHBondContact O-N 3.48Å; T21-D25 PolarHBondContact O-N 3.37Å; T21-L37 HydrophobicContact CG2-CD2 3.91Å; T21-L55 HydrophobicContact CG2-CD1 4.36Å; T21-L55 HydrophobicContact CG2-CD2 4.31Å; T21-F59 HydrophobicContact CG2-CD2 4.14Å; T21-F59 HydrophobicContact CG2-CE2 3.93Å; T21-F59 HydrophobicContact CG2-CZ 4.28Å; T21-I64 HydrophobicContact CG2-CD1 3.85Å; T21-I64 HydrophobicContact CG2-CG1 4.5Å
22W98.1Very high97.3Very high141 Ų14151.2 Ų51.253%0.53426%0.258SS..Hα-helixtrans-63.9-42.4176.9177.382.8000112.5P18 I19 I20 D25 K26P18-W22 WeakPolarHBondContact O-CB 3.37Å; P18-W22 PolarHBondContact O-N 2.81Å; I19-W22 PolarHBondContact O-N 3.47Å; I20-W22 PolarHBondContact O-N 2.98Å; W22-D25 PolarHBondContact O-N 2.86Å; W22-K26 HydrophobicContact CH2-CD 3.81Å; W22-K26 HydrophobicContact CZ2-CD 3.92Å; W22-K26 HydrophobicContact CZ3-CD 4.31Å; W22-K26 WeakPolarHBondContact O-CB 3.47Å; W22-K26 PolarHBondContact O-N 2.88Å
23I98.1Very high97.4Very high27 Ų2750.2 Ų50.214%0.13825%0.251CS..Hα-helixtrans-64.4-43.2177.8-62.4169.8000110.4I19 I20 K26 V27 L98 P102I19-I23 HydrophobicContact CG2-CD1 3.87Å; I19-I23 HydrophobicContact CG2-CG1 4.48Å; I19-I23 VanDerWaalsContact O-CG1 3.31Å; I19-I23 WeakPolarHBondContact O-CG1 3.31Å; I19-I23 PolarHBondContact O-N 2.62Å; I20-I23 PolarHBondContact O-N 3.07Å; I23-K26 PolarHBondContact O-N 3.24Å; I23-V27 HydrophobicContact CG2-CG2 4.25Å; I23-V27 WeakPolarHBondContact O-CB 3.15Å; I23-V27 VanDerWaalsContact O-CG2 3.3Å; I23-V27 WeakPolarHBondContact O-CG2 3.16Å; I23-V27 PolarHBondContact O-N 2.96Å; I23-L98 HydrophobicContact CD1-CD2 3.76Å; I23-P102 HydrophobicContact CB-CG 4.18Å; I23-P102 HydrophobicContact CG2-CB 3.96Å; I23-P102 HydrophobicContact CG2-CG 3.66Å
24I98.4Very high97.5Very high0 Ų051.8 Ų51.80%026%0.262CS..Hα-helixtrans-58.2-52.3176.1-72.3168000110.1I6 I20 T21 K26 V27 M28 Y35 L37 M94 P102I6-I24 HydrophobicContact CD1-CG2 3.46Å; I6-I24 VanDerWaalsContact CD1-CG2 3.46Å; I6-I24 HydrophobicContact CG2-CD1 4.35Å; I20-I24 HydrophobicContact CG1-CD1 3.9Å; I20-I24 HydrophobicContact CG1-CG1 4.39Å; I20-I24 WeakPolarHBondContact O-CB 3.4Å; I20-I24 VanDerWaalsContact O-CG1 3.25Å; I20-I24 WeakPolarHBondContact O-CG1 3.44Å; I20-I24 PolarHBondContact O-N 3.27Å; T21-I24 PolarHBondContact O-N 3.48Å; I24-K26 VanDerWaalsContact C-N 3.33Å; I24-K26 PolarHBondContact O-N 3.19Å; I24-V27 PolarHBondContact O-N 3.37Å; I24-M28 HydrophobicContact CG2-CG 4.19Å; I24-M28 WeakPolarHBondContact O-CB 3.36Å; I24-M28 VanDerWaalsContact O-CG 3.3Å; I24-M28 WeakPolarHBondContact O-CG 3.44Å; I24-M28 PolarHBondContact O-N 3.24Å; I24-Y35 HydrophobicContact CG2-CD2 4.22Å; I24-Y35 HydrophobicContact CG2-CE2 3.78Å; I24-L37 HydrophobicContact CD1-CD1 3.92Å; I24-L37 HydrophobicContact CD1-CD2 4.24Å; I24-M94 HydrophobicContact CD1-SD 4.01Å; I24-M94 HydrophobicContact CG1-SD 4.43Å; I24-P102 HydrophobicContact CG1-CB 3.91Å; I24-P102 HydrophobicContact CG1-CG 3.64Å
25D98.2Very high97.6Very high23 Ų2348.5 Ų48.512%0.12325%0.248CC..Hα-helixtrans-58-46.1179.9179.479.1000111.5T21 W22 V27 M28 N29 Y35 F59 K63T21-D25 PolarHBondContact O-N 3.37Å; W22-D25 PolarHBondContact O-N 2.86Å; D25-V27 PolarHBondContact O-N 3.21Å; D25-M28 PolarHBondContact O-N 3.02Å; D25-N29 VanDerWaalsContact O-CB 3.23Å; D25-N29 WeakPolarHBondContact O-CB 3.43Å; D25-N29 PolarHBondContact O-N 2.79Å; D25-N29 PolarHBondContact O-ND2 3.41Å; D25-N29 VanDerWaalsContact O-ND2 3.12Å; D25-N29 PolarHBondContact OD1-ND2 3.16Å; D25-N29 PolarHBondContact OD2-ND2 3.28Å; D25-Y35 WeakPolarHBondContact CA-OH 3.25Å; D25-Y35 WeakPolarHBondContact CB-OH 3.4Å; D25-Y35 PolarHBondContact OD1-OH 2.92Å; D25-F59 HydrophobicContact CB-CD1 4.15Å; D25-F59 HydrophobicContact CB-CE1 3.73Å; D25-K63 IonicContact OD1-NZ 2.67Å; D25-K63 PolarHBondContact OD1-NZ 3.13Å
26K98.3Very high97.7Very high120 Ų12044 Ų4452%0.52223%0.227SC..Hα-helixtrans-59.5-46177-174.1176.6-176.2175.40112.6W22 I23 I24 K30W22-K26 HydrophobicContact CH2-CD 3.81Å; W22-K26 HydrophobicContact CZ2-CD 3.92Å; W22-K26 HydrophobicContact CZ3-CD 4.31Å; W22-K26 WeakPolarHBondContact O-CB 3.47Å; W22-K26 PolarHBondContact O-N 2.88Å; I23-K26 PolarHBondContact O-N 3.24Å; I24-K26 VanDerWaalsContact C-N 3.33Å; I24-K26 PolarHBondContact O-N 3.19Å; K26-K30 WeakPolarHBondContact O-CB 3.4Å; K26-K30 PolarHBondContact O-N 2.68Å
27V98.4Very high97.8Very high21 Ų2143.9 Ų43.913%0.12723%0.226CC..Hα-helixtrans-67-45.8-178.7168.40000111.1I23 I24 D25 S31 P102 P106I23-V27 HydrophobicContact CG2-CG2 4.25Å; I23-V27 WeakPolarHBondContact O-CB 3.15Å; I23-V27 VanDerWaalsContact O-CG2 3.3Å; I23-V27 WeakPolarHBondContact O-CG2 3.16Å; I23-V27 PolarHBondContact O-N 2.96Å; I24-V27 PolarHBondContact O-N 3.37Å; D25-V27 PolarHBondContact O-N 3.21Å; V27-S31 WeakPolarHBondContact O-CB 3.49Å; V27-S31 PolarHBondContact O-N 2.8Å; V27-S31 PolarHBondContact O-OG 2.95Å; V27-P102 HydrophobicContact CG2-CB 4.32Å; V27-P106 HydrophobicContact CG1-CG 3.66Å
28M98Very high97.9Very high0 Ų043.9 Ų43.90%023%0.226CC..Hα-helixtrans-68.9-43.4-177.3-65.2-55.4-75.600111.6Y4 I6 I24 D25 S31 G32 F33 Y35 I105 I109Y4-M28 HydrophobicContact CD2-CE 4.46Å; I6-M28 HydrophobicContact CD1-CG 4.13Å; I6-M28 HydrophobicContact CD1-SD 4.36Å; I24-M28 HydrophobicContact CG2-CG 4.19Å; I24-M28 WeakPolarHBondContact O-CB 3.36Å; I24-M28 VanDerWaalsContact O-CG 3.3Å; I24-M28 WeakPolarHBondContact O-CG 3.44Å; I24-M28 PolarHBondContact O-N 3.24Å; D25-M28 PolarHBondContact O-N 3.02Å; M28-S31 PolarHBondContact O-N 3.44Å; M28-G32 PolarHBondContact O-N 3.42Å; M28-F33 HydrophobicContact CE-CB 3.65Å; M28-F33 PolarHBondContact O-N 3.04Å; M28-Y35 HydrophobicContact CB-CD1 3.28Å; M28-Y35 HydrophobicContact CB-CE1 3.55Å; M28-Y35 HydrophobicContact CB-CG 3.84Å; M28-Y35 HydrophobicContact CE-CG 4.17Å; M28-Y35 HydrophobicContact CG-CD1 3.79Å; M28-Y35 HydrophobicContact CG-CD2 4.19Å; M28-Y35 HydrophobicContact CG-CE1 4.2Å; M28-Y35 HydrophobicContact CG-CG 3.79Å; M28-I105 HydrophobicContact CE-CG2 4.3Å; M28-I105 HydrophobicContact SD-CB 4.38Å; M28-I105 HydrophobicContact SD-CG2 3.55Å; M28-I105 VanDerWaalsContact SD-CG2 3.55Å; M28-I109 HydrophobicContact CE-CD1 4.22Å
29N97Very high98Very high84 Ų8441.6 Ų41.645%0.44921%0.211SC..Hα-helixtrans-63.7-44.9175.8-68.9-27.6000111.6D25 S31 G32D25-N29 VanDerWaalsContact O-CB 3.23Å; D25-N29 WeakPolarHBondContact O-CB 3.43Å; D25-N29 PolarHBondContact O-N 2.79Å; D25-N29 PolarHBondContact O-ND2 3.41Å; D25-N29 VanDerWaalsContact O-ND2 3.12Å; D25-N29 PolarHBondContact OD1-ND2 3.16Å; D25-N29 PolarHBondContact OD2-ND2 3.28Å; N29-S31 PolarHBondContact O-N 2.92Å; N29-G32 PolarHBondContact O-N 3.18Å; N29-G32 VanDerWaalsContact O-N 3.13Å
30K98Very high98Very high189 Ų18938.8 Ų38.882%0.82220%0.197SC*.Hα-helixtrans-60.1-34.1176.6-179177.6177.8-177.40112.3K26 G32K26-K30 WeakPolarHBondContact O-CB 3.4Å; K26-K30 PolarHBondContact O-N 2.68Å; K30-G32 VanDerWaalsContact C-N 3.34Å
31S97.1Very high98Very high43 Ų4339.1 Ų39.130%0.30120%0.198SC..Hα-helixtrans-86-8-178.7-50.10000113.2V27 M28 N29 F33 P106V27-S31 WeakPolarHBondContact O-CB 3.49Å; V27-S31 PolarHBondContact O-N 2.8Å; V27-S31 PolarHBondContact O-OG 2.95Å; M28-S31 PolarHBondContact O-N 3.44Å; N29-S31 PolarHBondContact O-N 2.92Å; S31-F33 VanDerWaalsContact C-N 3.26Å; S31-F33 VanDerWaalsContact CB-CD2 3.47Å; S31-F33 PolarHBondContact O-N 3.49Å; S31-P106 WeakPolarHBondContact OG-CG 3.35Å
32G96.8Very high98Very high49 Ų4939.8 Ų39.851%0.50520%0.202SC..THydrogen-bonded Turntrans68.420.4-178.200000114.2M28 N29 K30 P34M28-G32 PolarHBondContact O-N 3.42Å; N29-G32 PolarHBondContact O-N 3.18Å; N29-G32 VanDerWaalsContact O-N 3.13Å; K30-G32 VanDerWaalsContact C-N 3.34Å; G32-P34 WeakPolarHBondContact O-CD 3.49Å
33F96.9Very high97.9Very high46 Ų4638.1 Ų38.120%0.20220%0.204CC..  trans-94118.3179.3-64.1-47.9000110.5Y4 M28 S31 Y35 P106 I109Y4-F33 HydrophobicContact CD2-CB 4.2Å; Y4-F33 HydrophobicContact CE2-CB 4.28Å; Y4-F33 HydrophobicContact CE2-CD1 4.3Å; Y4-F33 HydrophobicContact CE2-CG 4.39Å; M28-F33 HydrophobicContact CE-CB 3.65Å; M28-F33 PolarHBondContact O-N 3.04Å; S31-F33 VanDerWaalsContact C-N 3.26Å; S31-F33 VanDerWaalsContact CB-CD2 3.47Å; S31-F33 PolarHBondContact O-N 3.49Å; F33-Y35 PolarHBondContact O-N 3.29Å; F33-P106 HydrophobicContact CE2-CB 4.16Å; F33-I109 HydrophobicContact CB-CD1 4.32Å; F33-I109 HydrophobicContact CD1-CG2 4.35Å; F33-I109 HydrophobicContact CD2-CD1 3.53Å; F33-I109 HydrophobicContact CD2-CG2 4.36Å; F33-I109 HydrophobicContact CE1-CG2 3.9Å; F33-I109 HydrophobicContact CE2-CB 4.16Å; F33-I109 HydrophobicContact CE2-CD1 3.96Å; F33-I109 HydrophobicContact CE2-CG2 3.89Å; F33-I109 HydrophobicContact CG-CD1 3.93Å; F33-I109 HydrophobicContact CZ-CB 4.37Å; F33-I109 HydrophobicContact CZ-CG2 3.65Å
34P97.5Very high97.8Very high48 Ų4837.3 Ų37.331%0.31220%0.201SC..  trans-60.5137.2173-20.832.4000110.6M1 L3 Y4 G32M1-P34 HydrophobicContact CB-CG 3.81Å; M1-P34 HydrophobicContact SD-CG 4.14Å; L3-P34 HydrophobicContact CD1-CB 4.04Å; Y4-P34 PolarHBondContact N-O 3.49Å; Y4-P34 VanDerWaalsContact N-O 3.07Å; G32-P34 WeakPolarHBondContact O-CD 3.49Å
35Y98.4Very high97.7Very high18 Ų1842.2 Ų42.27%0.07123%0.232CC..EExtended strand (participates in β ladder)trans-150.8162.9-178.682.8-75.2000112.6Y4 I6 I24 D25 M28 F33 L37 K63Y4-Y35 CarbonylContact O-C 3.58Å; Y4-Y35 WeakPolarHBondContact O-CA 3.43Å; Y4-Y35 WeakPolarHBondContact O-CB 3.29Å; I6-Y35 HydrophobicContact CD1-CD2 3.92Å; I24-Y35 HydrophobicContact CG2-CD2 4.22Å; I24-Y35 HydrophobicContact CG2-CE2 3.78Å; D25-Y35 WeakPolarHBondContact CA-OH 3.25Å; D25-Y35 WeakPolarHBondContact CB-OH 3.4Å; D25-Y35 PolarHBondContact OD1-OH 2.92Å; M28-Y35 HydrophobicContact CB-CD1 3.28Å; M28-Y35 HydrophobicContact CB-CE1 3.55Å; M28-Y35 HydrophobicContact CB-CG 3.84Å; M28-Y35 HydrophobicContact CE-CG 4.17Å; M28-Y35 HydrophobicContact CG-CD1 3.79Å; M28-Y35 HydrophobicContact CG-CD2 4.19Å; M28-Y35 HydrophobicContact CG-CE1 4.2Å; M28-Y35 HydrophobicContact CG-CG 3.79Å; F33-Y35 PolarHBondContact O-N 3.29Å; Y35-L37 HydrophobicContact CE2-CB 4.26Å; Y35-K63 HydrophobicContact CE1-CD 4.41Å; Y35-K63 HydrophobicContact CE2-CG 4.41Å; Y35-K63 WeakPolarHBondContact OH-CD 3.41Å
36E98.5Very high97.6Very high5 Ų543 Ų432%0.02324%0.237CC..EExtended strand (participates in β ladder)trans-130.8148.4161.765.5-170.4174.300108.9Y4 S5 I6 K63 I65 K87Y4-E36 PolarHBondContact O-N 3.46Å; S5-E36 PolarHBondContact OG-OE1 2.95Å; I6-E36 PolarHBondContact N-O 3.39Å; E36-K63 CarbonylContact C-O 3.55Å; E36-K63 WeakPolarHBondContact CA-O 3.13Å; E36-I65 HydrophobicContact CB-CD1 4.15Å; E36-I65 HydrophobicContact CG-CD1 4.23Å; E36-I65 VanDerWaalsContact OE2-CD1 3.23Å; E36-I65 WeakPolarHBondContact OE2-CD1 3.4Å; E36-K87 WeakPolarHBondContact OE1-CB 3.44Å; E36-K87 PolarHBondContact OE1-N 3.18Å; E36-K87 WeakPolarHBondContact OE2-CD 3.31Å; E36-K87 IonicContact OE2-NZ 3.31Å
37L98.7Very high97.6Very high0 Ų038 Ų380%022%0.219CC..EExtended strand (participates in β ladder)trans-110.7119.7176.618063.6000109.1I6 L8 T21 I24 Y35 I39 K63 I64 I65I6-L37 HydrophobicContact CB-CD1 3.78Å; I6-L37 HydrophobicContact CG2-CD1 3.63Å; I6-L37 CarbonylContact O-C 3.53Å; I6-L37 WeakPolarHBondContact O-CA 3.45Å; L8-L37 HydrophobicContact CB-CD1 3.98Å; L8-L37 HydrophobicContact CD2-CD1 4.44Å; T21-L37 HydrophobicContact CG2-CD2 3.91Å; I24-L37 HydrophobicContact CD1-CD1 3.92Å; I24-L37 HydrophobicContact CD1-CD2 4.24Å; Y35-L37 HydrophobicContact CE2-CB 4.26Å; L37-I39 HydrophobicContact CD2-CG1 4.38Å; L37-I39 HydrophobicContact CG-CG1 4.22Å; L37-K63 PolarHBondContact N-O 3.43Å; L37-I64 HydrophobicContact CB-CD1 3.79Å; L37-I64 HydrophobicContact CD2-CD1 4.01Å; L37-I64 HydrophobicContact CG-CD1 4.43Å; L37-I64 WeakPolarHBondContact O-CA 3.34Å; L37-I65 PolarHBondContact O-N 2.89Å
38I98.7Very high97.5Very high0 Ų037 Ų370%021%0.213CC..EExtended strand (participates in β ladder)trans-105108179.8-56.6166.7000107.9I6 I7 L8 V40 I65 K67 A86I6-I38 PolarHBondContact O-N 2.91Å; I7-I38 WeakPolarHBondContact CA-O 3.43Å; I7-I38 HydrophobicContact CG1-CB 4.39Å; I7-I38 HydrophobicContact CG1-CD1 4.32Å; L8-I38 PolarHBondContact N-O 3.36Å; I38-V40 HydrophobicContact CG2-CG2 4.16Å; I38-I65 CarbonylContact C-O 3.57Å; I38-I65 WeakPolarHBondContact CA-O 3.24Å; I38-I65 HydrophobicContact CG1-CB 4.21Å; I38-I65 HydrophobicContact CG1-CD1 4.24Å; I38-K67 HydrophobicContact CG2-CG 4.13Å; I38-A86 VanDerWaalsContact CD1-CA 3.48Å; I38-A86 HydrophobicContact CD1-CB 3.73Å
39I98.6Very high97.5Very high0 Ų037.7 Ų37.70%022%0.219CC..EExtended strand (participates in β ladder)trans-90.4114.4178.3-60.3167000107.4T10 L17 L37 A52 I64 I65 L66 K67T10-I39 HydrophobicContact CG2-CG2 3.9Å; L17-I39 HydrophobicContact CD1-CD1 3.92Å; L17-I39 HydrophobicContact CD1-CG1 4.19Å; L17-I39 HydrophobicContact CD1-CG2 4.29Å; L17-I39 HydrophobicContact CD2-CD1 4.21Å; L17-I39 HydrophobicContact CD2-CG2 4.17Å; L17-I39 HydrophobicContact CG-CD1 4.38Å; L37-I39 HydrophobicContact CD2-CG1 4.38Å; L37-I39 HydrophobicContact CG-CG1 4.22Å; I39-A52 HydrophobicContact CD1-CB 4.11Å; I39-A52 HydrophobicContact CG2-CB 4.21Å; I39-I64 HydrophobicContact CD1-CG2 3.54Å; I39-I64 HydrophobicContact CG1-CG2 4.4Å; I39-I65 PolarHBondContact N-O 3.42Å; I39-L66 HydrophobicContact CB-CD1 4.32Å; I39-L66 HydrophobicContact CG2-CD1 4.12Å; I39-K67 PolarHBondContact O-N 2.88Å
40V98.3Very high97.6Very high0 Ų039.1 Ų39.10%022%0.224CC..EExtended strand (participates in β ladder)trans-101.797.7177.9-178.10000108.4I7 L8 T10 I38 K67 R69 A78 H81I7-V40 HydrophobicContact CG2-CG2 3.97Å; L8-V40 PolarHBondContact O-N 3.42Å; T10-V40 PolarHBondContact N-O 3.32Å; T10-V40 PolarHBondContact OG1-O 2.93Å; I38-V40 HydrophobicContact CG2-CG2 4.16Å; V40-K67 WeakPolarHBondContact CA-O 3.41Å; V40-R69 HydrophobicContact CG1-CG 3.86Å; V40-A78 HydrophobicContact CG1-CB 4.06Å; V40-H81 HydrophobicContact CG1-CB 4.44Å
41D98.2Very high97.6Very high7 Ų731.2 Ų31.24%0.03719%0.191CC..EExtended strand (participates in β ladder)trans-91.8123.9-175.6-174.554.6000112.5T10 N43 S44 L66 K67 P68 R69T10-D41 VanDerWaalsContact OG1-CA 3.28Å; T10-D41 WeakPolarHBondContact OG1-CA 3.13Å; T10-D41 PolarHBondContact OG1-OD1 3.18Å; D41-N43 PolarHBondContact O-N 3.36Å; D41-S44 WeakPolarHBondContact OD1-CB 3.25Å; D41-S44 PolarHBondContact OD1-OG 2.9Å; D41-S44 PolarHBondContact OD2-N 3.47Å; D41-L66 HydrophobicContact CB-CD1 4.14Å; D41-K67 PolarHBondContact N-O 3.46Å; D41-P68 CarbonylContact O-C 3.57Å; D41-P68 WeakPolarHBondContact O-CA 3.34Å; D41-R69 PolarHBondContact O-N 3.01Å
42D96.9Very high97.6Very high15 Ų1529.1 Ų29.18%0.0818%0.177CC..  trans-8546.3-178-77.91.5000112.8T10 Y11 R69 G71 K72T10-D42 PolarHBondContact O-N 2.84Å; Y11-D42 HydrophobicContact CD2-CB 3.83Å; Y11-D42 WeakPolarHBondContact CD2-O 3.49Å; Y11-D42 HydrophobicContact CG-CB 4.44Å; D42-R69 IonicContact OD1-CZ 3.09Å; D42-R69 IonicContact OD1-NE 2.68Å; D42-R69 PolarHBondContact OD1-NE 3.41Å; D42-R69 IonicContact OD1-NH2 3.68Å; D42-R69 PolarHBondContact OD1-NH2 3.49Å; D42-R69 IonicContact OD2-CZ 3.34Å; D42-R69 IonicContact OD2-NH2 2.74Å; D42-R69 PolarHBondContact OD2-NH2 2.9Å; D42-G71 WeakPolarHBondContact O-CA 3.42Å; D42-K72 HydrophobicContact CB-CG 3.97Å
43N96.7Very high97.7Very high106 Ų10633 Ų3357%0.56718%0.18SC*.  trans54.155-176.7-167.133.3000111.7D41 P45 R69 S70D41-N43 PolarHBondContact O-N 3.36Å; N43-P45 WeakPolarHBondContact O-CD 3.31Å; N43-R69 WeakPolarHBondContact CB-O 3.36Å; N43-S70 PolarHBondContact ND2-O 3.23Å
44S97Very high97.8Very high10 Ų1037.6 Ų37.67%0.0720%0.199CC..  trans-66.9125.1-173.3-62.40000111.8Y11 N12 D41 D46Y11-S44 VanDerWaalsContact CA-OG 3.29Å; Y11-S44 WeakPolarHBondContact CA-OG 3.35Å; N12-S44 PolarHBondContact N-OG 3.4Å; D41-S44 WeakPolarHBondContact OD1-CB 3.25Å; D41-S44 PolarHBondContact OD1-OG 2.9Å; D41-S44 PolarHBondContact OD2-N 3.47Å; S44-D46 VanDerWaalsContact C-N 3.3Å; S44-D46 VanDerWaalsContact CB-OD1 3.26Å; S44-D46 WeakPolarHBondContact CB-OD1 3.31Å; S44-D46 PolarHBondContact O-N 2.8Å
45P95.8Very high97.8Very high102 Ų10235.8 Ų35.866%0.66219%0.187SC*.THydrogen-bonded Turntrans-74.1-14.1179.429.5-38.6000114.7N12 N43 G47N12-P45 WeakPolarHBondContact OD1-CD 3.38Å; N12-P45 WeakPolarHBondContact OD1-CG 3.25Å; N43-P45 WeakPolarHBondContact O-CD 3.31Å; P45-G47 VanDerWaalsContact C-N 3.3Å; P45-G47 PolarHBondContact O-N 2.99Å
46D96.3Very high97.8Very high41 Ų4136.5 Ų36.522%0.21919%0.191CC..THydrogen-bonded Turntrans-78-13.4-175.670.1-20.3000114.2N12 E13 K14 S44 T48N12-D46 WeakPolarHBondContact CA-OD2 3.29Å; E13-D46 PolarHBondContact N-OD2 2.96Å; K14-D46 HydrophobicContact CB-CB 4.44Å; K14-D46 WeakPolarHBondContact CB-OD2 3.18Å; K14-D46 WeakPolarHBondContact CD-O 3.37Å; K14-D46 PolarHBondContact N-OD2 3.33Å; K14-D46 PolarHBondContact NZ-O 3.43Å; K14-D46 VanDerWaalsContact NZ-O 3.08Å; S44-D46 VanDerWaalsContact C-N 3.3Å; S44-D46 VanDerWaalsContact CB-OD1 3.26Å; S44-D46 WeakPolarHBondContact CB-OD1 3.31Å; S44-D46 PolarHBondContact O-N 2.8Å; D46-T48 VanDerWaalsContact CG-OG1 3.23Å; D46-T48 WeakPolarHBondContact OD1-CB 3.23Å; D46-T48 PolarHBondContact OD1-N 3.14Å; D46-T48 PolarHBondContact OD1-OG1 2.93Å; D46-T48 PolarHBondContact OD2-OG1 3.36Å; D46-T48 VanDerWaalsContact OD2-OG1 3.08Å
47G97Very high97.7Very high15 Ų1541 Ų4116%0.15522%0.223CC..SBendtrans103.115.2-174.600000114.7P45 G49 E50 V51P45-G47 VanDerWaalsContact C-N 3.3Å; P45-G47 PolarHBondContact O-N 2.99Å; G47-G49 VanDerWaalsContact C-N 3.26Å; G47-G49 PolarHBondContact O-N 3.27Å; G47-E50 WeakPolarHBondContact CA-OE2 2.86Å; G47-E50 PolarHBondContact O-N 3.04Å; G47-V51 PolarHBondContact O-N 3.39Å; G47-V51 VanDerWaalsContact O-N 3.1Å
48T97.8Very high97.7Very high0 Ų046.8 Ų46.80%025%0.253CS..Hα-helixtrans-55.8-40.5178-60.10000111.7E13 K14 L17 D46 E50 V51 A52E13-T48 HydrophobicContact CB-CG2 4.29Å; E13-T48 PolarHBondContact N-OG1 2.92Å; K14-T48 PolarHBondContact N-OG1 2.93Å; K14-T48 VanDerWaalsContact N-OG1 3.09Å; L17-T48 HydrophobicContact CD2-CG2 3.69Å; D46-T48 VanDerWaalsContact CG-OG1 3.23Å; D46-T48 WeakPolarHBondContact OD1-CB 3.23Å; D46-T48 PolarHBondContact OD1-N 3.14Å; D46-T48 PolarHBondContact OD1-OG1 2.93Å; D46-T48 PolarHBondContact OD2-OG1 3.36Å; D46-T48 VanDerWaalsContact OD2-OG1 3.08Å; T48-E50 PolarHBondContact O-N 3.35Å; T48-V51 PolarHBondContact O-N 3.06Å; T48-A52 WeakPolarHBondContact O-CB 3.5Å; T48-A52 PolarHBondContact O-N 2.98Å
49G97.6Very high97.6Very high13 Ų1348.9 Ų48.913%0.13426%0.262CS..Hα-helixtrans-62.3-40.2178.700000113.3G47 A52 K53G47-G49 VanDerWaalsContact C-N 3.26Å; G47-G49 PolarHBondContact O-N 3.27Å; G49-A52 PolarHBondContact O-N 2.96Å; G49-K53 WeakPolarHBondContact O-CG 3.4Å; G49-K53 PolarHBondContact O-N 3.13Å
50E98.1Very high97.5Very high115 Ų11550.4 Ų50.454%0.53728%0.278SS..Hα-helixtrans-66.6-40.4175.7-6975.6-174.100111.2G47 T48 K53 K54G47-E50 WeakPolarHBondContact CA-OE2 2.86Å; G47-E50 PolarHBondContact O-N 3.04Å; T48-E50 PolarHBondContact O-N 3.35Å; E50-K53 PolarHBondContact O-N 3.41Å; E50-K54 WeakPolarHBondContact O-CG 3.47Å; E50-K54 PolarHBondContact O-N 3.28Å; E50-K54 VanDerWaalsContact O-N 3.07Å
51V98.3Very high97.4Very high22 Ų2257.1 Ų57.113%0.13331%0.309CS..Hα-helixtrans-63.3-44.1173.2168.30000110.8K14 L17 P18 G47 T48 K53 K54 L55K14-V51 HydrophobicContact CG-CG2 3.9Å; L17-V51 HydrophobicContact CB-CG1 4.42Å; L17-V51 HydrophobicContact CD2-CG1 4.31Å; P18-V51 HydrophobicContact CG-CG1 3.58Å; G47-V51 PolarHBondContact O-N 3.39Å; G47-V51 VanDerWaalsContact O-N 3.1Å; T48-V51 PolarHBondContact O-N 3.06Å; V51-K53 VanDerWaalsContact C-N 3.32Å; V51-K53 PolarHBondContact O-N 3.02Å; V51-K54 WeakPolarHBondContact O-CB 3.39Å; V51-K54 PolarHBondContact O-N 3.06Å; V51-K54 VanDerWaalsContact O-N 3.14Å; V51-L55 HydrophobicContact CG1-CD1 4.02Å; V51-L55 HydrophobicContact CG1-CG 4.41Å; V51-L55 WeakPolarHBondContact O-CG 3.08Å; V51-L55 PolarHBondContact O-N 2.99Å
52A98.3Very high97.2Very high0 Ų063.3 Ų63.30%034%0.342CS..Hα-helixtrans-58.7-43.8176.400000111.6L17 I39 T48 G49 K54 L55 Q56 L66L17-A52 HydrophobicContact CD2-CB 3.84Å; I39-A52 HydrophobicContact CD1-CB 4.11Å; I39-A52 HydrophobicContact CG2-CB 4.21Å; T48-A52 WeakPolarHBondContact O-CB 3.5Å; T48-A52 PolarHBondContact O-N 2.98Å; G49-A52 PolarHBondContact O-N 2.96Å; A52-K54 PolarHBondContact O-N 3.25Å; A52-L55 WeakPolarHBondContact O-CB 3.41Å; A52-L55 PolarHBondContact O-N 3.38Å; A52-L55 VanDerWaalsContact O-N 3.15Å; A52-Q56 WeakPolarHBondContact O-CG 3.41Å; A52-Q56 PolarHBondContact O-N 3.3Å; A52-L66 HydrophobicContact CB-CB 4.49Å; A52-L66 HydrophobicContact CB-CD1 3.61Å; A52-L66 HydrophobicContact CB-CD2 3.86Å; A52-L66 HydrophobicContact CB-CG 4.17Å
53K98Very high97.2Very high131 Ų13165.4 Ų65.457%0.5735%0.351SS*.Hα-helixtrans-58.6-44.4174-74-179.7-179.6175.20112.5G49 E50 V51 L55 Q56 S57 L66G49-K53 WeakPolarHBondContact O-CG 3.4Å; G49-K53 PolarHBondContact O-N 3.13Å; E50-K53 PolarHBondContact O-N 3.41Å; V51-K53 VanDerWaalsContact C-N 3.32Å; V51-K53 PolarHBondContact O-N 3.02Å; K53-L55 VanDerWaalsContact C-N 3.3Å; K53-L55 PolarHBondContact O-N 3.22Å; K53-Q56 WeakPolarHBondContact O-CB 3.38Å; K53-Q56 PolarHBondContact O-N 3.32Å; K53-Q56 VanDerWaalsContact O-N 3.15Å; K53-S57 PolarHBondContact O-N 2.94Å; K53-S57 VanDerWaalsContact O-N 3.15Å; K53-S57 PolarHBondContact O-OG 3.04Å; K53-L66 HydrophobicContact CG-CD2 3.63Å
54K98.2Very high97.3Very high141 Ų14160.4 Ų60.461%0.61332%0.324SS*.Hα-helixtrans-60.7-40.2175.4-69.7175.5-176.9-179.20111.7E50 V51 A52 Q56 S57 I58E50-K54 WeakPolarHBondContact O-CG 3.47Å; E50-K54 PolarHBondContact O-N 3.28Å; E50-K54 VanDerWaalsContact O-N 3.07Å; V51-K54 WeakPolarHBondContact O-CB 3.39Å; V51-K54 PolarHBondContact O-N 3.06Å; V51-K54 VanDerWaalsContact O-N 3.14Å; A52-K54 PolarHBondContact O-N 3.25Å; K54-Q56 VanDerWaalsContact C-N 3.33Å; K54-Q56 PolarHBondContact O-N 3.05Å; K54-S57 WeakPolarHBondContact O-CB 3.41Å; K54-S57 PolarHBondContact O-N 3.37Å; K54-I58 WeakPolarHBondContact O-CG1 3.28Å; K54-I58 PolarHBondContact O-N 3.19Å
55L98.4Very high97.4Very high10 Ų1060.7 Ų60.75%0.05232%0.324CS..Hα-helixtrans-64.5-36.9175.6-66.3167.6000111.7L17 P18 T21 V51 A52 K53 S57 I58 F59 I64L17-L55 HydrophobicContact CD2-CD1 4.18Å; L17-L55 HydrophobicContact CG-CD1 3.74Å; P18-L55 HydrophobicContact CB-CD2 4.37Å; T21-L55 HydrophobicContact CG2-CD1 4.36Å; T21-L55 HydrophobicContact CG2-CD2 4.31Å; V51-L55 HydrophobicContact CG1-CD1 4.02Å; V51-L55 HydrophobicContact CG1-CG 4.41Å; V51-L55 WeakPolarHBondContact O-CG 3.08Å; V51-L55 PolarHBondContact O-N 2.99Å; A52-L55 WeakPolarHBondContact O-CB 3.41Å; A52-L55 PolarHBondContact O-N 3.38Å; A52-L55 VanDerWaalsContact O-N 3.15Å; K53-L55 VanDerWaalsContact C-N 3.3Å; K53-L55 PolarHBondContact O-N 3.22Å; L55-S57 VanDerWaalsContact C-N 3.31Å; L55-S57 PolarHBondContact O-N 2.83Å; L55-I58 PolarHBondContact O-N 3.45Å; L55-F59 HydrophobicContact CB-CD2 4.44Å; L55-F59 HydrophobicContact CD2-CD2 4.21Å; L55-F59 HydrophobicContact CD2-CE2 3.78Å; L55-F59 WeakPolarHBondContact O-CD2 3.23Å; L55-F59 PolarHBondContact O-N 2.56Å; L55-I64 HydrophobicContact CB-CG2 4.45Å
56Q97.4Very high97.5Very high33 Ų3356.8 Ų56.815%0.15430%0.298CS..Hα-helixtrans-59.3-42.1171.4-58.5-168.5-81.700111.9A52 K53 K54 I58 G60 E61 I64 L66A52-Q56 WeakPolarHBondContact O-CG 3.41Å; A52-Q56 PolarHBondContact O-N 3.3Å; K53-Q56 WeakPolarHBondContact O-CB 3.38Å; K53-Q56 PolarHBondContact O-N 3.32Å; K53-Q56 VanDerWaalsContact O-N 3.15Å; K54-Q56 VanDerWaalsContact C-N 3.33Å; K54-Q56 PolarHBondContact O-N 3.05Å; Q56-I58 VanDerWaalsContact C-N 3.34Å; Q56-I58 PolarHBondContact O-N 3.45Å; Q56-G60 CarbonylContact O-C 3.19Å; Q56-G60 WeakPolarHBondContact O-CA 3.26Å; Q56-G60 PolarHBondContact O-N 2.84Å; Q56-E61 HydrophobicContact CB-CG 4.24Å; Q56-E61 PolarHBondContact O-N 3.43Å; Q56-I64 HydrophobicContact CG-CB 4.19Å; Q56-I64 HydrophobicContact CG-CG2 4.04Å; Q56-I64 VanDerWaalsContact CG-O 3.3Å; Q56-I64 WeakPolarHBondContact CG-O 3.35Å; Q56-I64 PolarHBondContact NE2-O 3.23Å; Q56-L66 HydrophobicContact CG-CB 4.39Å
57S97.3Very high97.6Very high100 Ų10057.4 Ų57.470%0.69930%0.299SS*.Hα-helixtrans-66-34.5176.8-50.90000113.2K53 K54 L55K53-S57 PolarHBondContact O-N 2.94Å; K53-S57 VanDerWaalsContact O-N 3.15Å; K53-S57 PolarHBondContact O-OG 3.04Å; K54-S57 WeakPolarHBondContact O-CB 3.41Å; K54-S57 PolarHBondContact O-N 3.37Å; L55-S57 VanDerWaalsContact C-N 3.31Å; L55-S57 PolarHBondContact O-N 2.83Å
58I97.7Very high97.6Very high122 Ų12260.6 Ų60.663%0.62632%0.317SS*.Hα-helixtrans-76.6-45.4-178.7-67.4164.2000111.9K54 L55 Q56K54-I58 WeakPolarHBondContact O-CG1 3.28Å; K54-I58 PolarHBondContact O-N 3.19Å; L55-I58 PolarHBondContact O-N 3.45Å; Q56-I58 VanDerWaalsContact C-N 3.34Å; Q56-I58 PolarHBondContact O-N 3.45Å
59F97.7Very high97.6Very high43 Ų4361.6 Ų61.619%0.18932%0.32CS..Hα-helixtrans-100.6-13.6-171.5-70.2-88.7000113.7T21 D25 L55 K63 I64T21-F59 HydrophobicContact CG2-CD2 4.14Å; T21-F59 HydrophobicContact CG2-CE2 3.93Å; T21-F59 HydrophobicContact CG2-CZ 4.28Å; D25-F59 HydrophobicContact CB-CD1 4.15Å; D25-F59 HydrophobicContact CB-CE1 3.73Å; L55-F59 HydrophobicContact CB-CD2 4.44Å; L55-F59 HydrophobicContact CD2-CD2 4.21Å; L55-F59 HydrophobicContact CD2-CE2 3.78Å; L55-F59 WeakPolarHBondContact O-CD2 3.23Å; L55-F59 PolarHBondContact O-N 2.56Å; F59-K63 HydrophobicContact CB-CD 4.32Å; F59-I64 HydrophobicContact CB-CD1 4.13Å; F59-I64 HydrophobicContact CB-CG1 3.45Å; F59-I64 VanDerWaalsContact CB-CG1 3.45Å; F59-I64 HydrophobicContact CD2-CG1 4.39Å; F59-I64 HydrophobicContact CG-CD1 4.45Å; F59-I64 HydrophobicContact CG-CG1 4.11Å
60G97.5Very high97.4Very high32 Ų3265.6 Ų65.633%0.3335%0.346SS..  trans99.5135.4-177.200000113.3Q56 N62 K63 I64Q56-G60 CarbonylContact O-C 3.19Å; Q56-G60 WeakPolarHBondContact O-CA 3.26Å; Q56-G60 PolarHBondContact O-N 2.84Å; G60-N62 PolarHBondContact O-N 3.39Å; G60-K63 PolarHBondContact O-N 2.86Å; G60-I64 PolarHBondContact O-N 3.27Å
61E95.6Very high97.2Very high141 Ų14160.8 Ų60.866%0.65933%0.328SS*.THydrogen-bonded Turntrans-63.8-23.6-176.1-62.7-175.6176.800114.2Q56 I64Q56-E61 HydrophobicContact CB-CG 4.24Å; Q56-E61 PolarHBondContact O-N 3.43Å; E61-I64 CarbonylContact C-O 3.6Å; E61-I64 VanDerWaalsContact O-O 3.09Å
62N94.1Very high96.7Very high137 Ų13765.9 Ų65.973%0.73335%0.348SS*.THydrogen-bonded Turntrans-78.9-21.3175.3-72-38.5000112.9G60G60-N62 PolarHBondContact O-N 3.39Å
63K96.9Very high96.2Very high60 Ų6070.9 Ų70.926%0.26137%0.374SS..THydrogen-bonded Turntrans-96.9-44.1-179-178.3-175.1-89.4-167.30111D25 Y35 E36 L37 F59 G60D25-K63 IonicContact OD1-NZ 2.67Å; D25-K63 PolarHBondContact OD1-NZ 3.13Å; Y35-K63 HydrophobicContact CE1-CD 4.41Å; Y35-K63 HydrophobicContact CE2-CG 4.41Å; Y35-K63 WeakPolarHBondContact OH-CD 3.41Å; E36-K63 CarbonylContact C-O 3.55Å; E36-K63 WeakPolarHBondContact CA-O 3.13Å; L37-K63 PolarHBondContact N-O 3.43Å; F59-K63 HydrophobicContact CB-CD 4.32Å; G60-K63 PolarHBondContact O-N 2.86Å
64I98.2Very high95.6Very high0 Ų065.8 Ų65.80%036%0.359CS..EExtended strand (participates in β ladder)trans-107.3116.1175.3-49.1-57.4000108.3T21 L37 I39 L55 Q56 F59 G60 E61T21-I64 HydrophobicContact CG2-CD1 3.85Å; T21-I64 HydrophobicContact CG2-CG1 4.5Å; L37-I64 HydrophobicContact CB-CD1 3.79Å; L37-I64 HydrophobicContact CD2-CD1 4.01Å; L37-I64 HydrophobicContact CG-CD1 4.43Å; L37-I64 WeakPolarHBondContact O-CA 3.34Å; I39-I64 HydrophobicContact CD1-CG2 3.54Å; I39-I64 HydrophobicContact CG1-CG2 4.4Å; L55-I64 HydrophobicContact CB-CG2 4.45Å; Q56-I64 HydrophobicContact CG-CB 4.19Å; Q56-I64 HydrophobicContact CG-CG2 4.04Å; Q56-I64 VanDerWaalsContact CG-O 3.3Å; Q56-I64 WeakPolarHBondContact CG-O 3.35Å; Q56-I64 PolarHBondContact NE2-O 3.23Å; F59-I64 HydrophobicContact CB-CD1 4.13Å; F59-I64 HydrophobicContact CB-CG1 3.45Å; F59-I64 VanDerWaalsContact CB-CG1 3.45Å; F59-I64 HydrophobicContact CD2-CG1 4.39Å; F59-I64 HydrophobicContact CG-CD1 4.45Å; F59-I64 HydrophobicContact CG-CG1 4.11Å; G60-I64 PolarHBondContact O-N 3.27Å; E61-I64 CarbonylContact C-O 3.6Å; E61-I64 VanDerWaalsContact O-O 3.09Å
65I98.3Very high95.1Very high16 Ų1661.3 Ų61.38%0.08234%0.341CS..EExtended strand (participates in β ladder)trans-114.8105.2-172.9-57.1171.6000107.9E36 L37 I38 I39 K67E36-I65 HydrophobicContact CB-CD1 4.15Å; E36-I65 HydrophobicContact CG-CD1 4.23Å; E36-I65 VanDerWaalsContact OE2-CD1 3.23Å; E36-I65 WeakPolarHBondContact OE2-CD1 3.4Å; L37-I65 PolarHBondContact O-N 2.89Å; I38-I65 CarbonylContact C-O 3.57Å; I38-I65 WeakPolarHBondContact CA-O 3.24Å; I38-I65 HydrophobicContact CG1-CB 4.21Å; I38-I65 HydrophobicContact CG1-CD1 4.24Å; I39-I65 PolarHBondContact N-O 3.42Å; I65-K67 HydrophobicContact CG2-CD 4.29Å; I65-K67 HydrophobicContact CG2-CG 4.04Å
66L98.4Very high94.5Very high20 Ų2061.3 Ų61.311%0.10534%0.344CS..EExtended strand (participates in β ladder)trans-82.9129.3174.8176.657.5000111I39 D41 A52 K53 Q56I39-L66 HydrophobicContact CB-CD1 4.32Å; I39-L66 HydrophobicContact CG2-CD1 4.12Å; D41-L66 HydrophobicContact CB-CD1 4.14Å; A52-L66 HydrophobicContact CB-CB 4.49Å; A52-L66 HydrophobicContact CB-CD1 3.61Å; A52-L66 HydrophobicContact CB-CD2 3.86Å; A52-L66 HydrophobicContact CB-CG 4.17Å; K53-L66 HydrophobicContact CG-CD2 3.63Å; Q56-L66 HydrophobicContact CG-CB 4.39Å
67K98.1Very high94.2Very high55 Ų5561.6 Ų61.624%0.23935%0.35CS..  trans-133.484.1178.5-63.2-62169.9-178.70111.1I38 I39 V40 D41 I65 F85I38-K67 HydrophobicContact CG2-CG 4.13Å; I39-K67 PolarHBondContact O-N 2.88Å; V40-K67 WeakPolarHBondContact CA-O 3.41Å; D41-K67 PolarHBondContact N-O 3.46Å; I65-K67 HydrophobicContact CG2-CD 4.29Å; I65-K67 HydrophobicContact CG2-CG 4.04Å; K67-F85 HydrophobicContact CB-CD2 4.23Å; K67-F85 HydrophobicContact CB-CE2 4.28Å; K67-F85 HydrophobicContact CD-CB 4.48Å; K67-F85 HydrophobicContact CD-CD1 3.79Å; K67-F85 HydrophobicContact CD-CD2 3.53Å; K67-F85 HydrophobicContact CD-CE1 3.79Å; K67-F85 HydrophobicContact CD-CE2 3.54Å; K67-F85 HydrophobicContact CD-CG 3.65Å; K67-F85 HydrophobicContact CD-CZ 3.67Å; K67-F85 HydrophobicContact CG-CB 4.33Å; K67-F85 HydrophobicContact CG-CD1 4.49Å; K67-F85 HydrophobicContact CG-CD2 3.5Å; K67-F85 VanDerWaalsContact CG-CD2 3.5Å; K67-F85 HydrophobicContact CG-CE2 3.85Å; K67-F85 HydrophobicContact CG-CG 3.85Å; K67-F85 HydrophobicContact CG-CZ 4.48Å; K67-F85 VanDerWaalsContact NZ-CE1 3.35Å
68P97.2Very high94Very high82 Ų8256.9 Ų56.953%0.53232%0.317SS..  trans-73.1150-17831.9-32.9000110.9D41D41-P68 CarbonylContact O-C 3.57Å; D41-P68 WeakPolarHBondContact O-CA 3.34Å
69R97.7Very high93.8Very high21 Ų2151 Ų518%0.07929%0.287CS..  trans-118.6169.6175-52.2-163.8-58.3157.5-2.7109.6V40 D41 D42 N43 G71 G74 S77 A78V40-R69 HydrophobicContact CG1-CG 3.86Å; D41-R69 PolarHBondContact O-N 3.01Å; D42-R69 IonicContact OD1-CZ 3.09Å; D42-R69 IonicContact OD1-NE 2.68Å; D42-R69 PolarHBondContact OD1-NE 3.41Å; D42-R69 IonicContact OD1-NH2 3.68Å; D42-R69 PolarHBondContact OD1-NH2 3.49Å; D42-R69 IonicContact OD2-CZ 3.34Å; D42-R69 IonicContact OD2-NH2 2.74Å; D42-R69 PolarHBondContact OD2-NH2 2.9Å; N43-R69 WeakPolarHBondContact CB-O 3.36Å; R69-G71 PolarHBondContact O-N 3.38Å; R69-G74 PolarHBondContact NH2-O 3.24Å; R69-G74 VanDerWaalsContact NH2-O 3.16Å; R69-S77 PolarHBondContact NH1-O 2.98Å; R69-S77 PolarHBondContact NH1-OG 3.47Å; R69-A78 VanDerWaalsContact CZ-CA 3.49Å; R69-A78 VanDerWaalsContact NH1-CA 3.33Å
70S94.9Very high93.5Very high96 Ų9652.5 Ų52.567%0.67130%0.296SS*.SBendtrans-72.4-15.7179.752.80000114.1N43N43-S70 PolarHBondContact ND2-O 3.23Å
71G92.9Very high93.4Very high15 Ų1553.1 Ų53.116%0.15529%0.29CS..SBendtrans164.4-167.6179.900000112.7D42 R69 L73D42-G71 WeakPolarHBondContact O-CA 3.42Å; R69-G71 PolarHBondContact O-N 3.38Å; G71-L73 PolarHBondContact O-N 3Å
72K88.2Confident93.4Very high128 Ų12846.4 Ų46.456%0.55726%0.259SS*.  trans-74.380.4-179.5-62.217975.8175.60112.4Y11 D42 G74Y11-K72 HydrophobicContact CD1-CD 3.74Å; Y11-K72 HydrophobicContact CD1-CG 4.44Å; Y11-K72 HydrophobicContact CD2-CD 3.72Å; Y11-K72 HydrophobicContact CD2-CG 3.57Å; Y11-K72 HydrophobicContact CE1-CD 3.71Å; Y11-K72 HydrophobicContact CE2-CD 3.68Å; Y11-K72 HydrophobicContact CE2-CG 3.76Å; Y11-K72 HydrophobicContact CG-CD 3.73Å; Y11-K72 HydrophobicContact CG-CG 3.92Å; D42-K72 HydrophobicContact CB-CG 3.97Å; K72-G74 PolarHBondContact O-N 3.41Å
73L87.4Confident93.5Very high105 Ų10540.7 Ų40.755%0.5523%0.228SC..  trans-86.812.6179.7-57.2176.7000113.5G71 S77G71-L73 PolarHBondContact O-N 3Å; L73-S77 PolarHBondContact O-OG 2.85Å
74G86.5Confident93.5Very high25 Ų2545.6 Ų45.626%0.25825%0.25SC..  trans95.6161.6-175.700000113.9R69 K72 S77 A78R69-G74 PolarHBondContact NH2-O 3.24Å; R69-G74 VanDerWaalsContact NH2-O 3.16Å; K72-G74 PolarHBondContact O-N 3.41Å; G74-S77 PolarHBondContact O-OG 2.81Å; G74-A78 PolarHBondContact O-N 2.9Å
75L85.9Confident93.5Very high46 Ų4649 Ų4924%0.24127%0.265CS..Hα-helixtrans-73.8-44.7-171.7-168.662.9000112.6P9 S77 A78 Y79 Q187P9-L75 HydrophobicContact CB-CD1 4.01Å; P9-L75 HydrophobicContact CG-CD1 3.89Å; L75-S77 VanDerWaalsContact C-N 3.3Å; L75-S77 PolarHBondContact O-N 3.46Å; L75-A78 WeakPolarHBondContact O-CA 3.27Å; L75-A78 VanDerWaalsContact O-CB 3.25Å; L75-A78 WeakPolarHBondContact O-CB 3.01Å; L75-A78 PolarHBondContact O-N 3Å; L75-Y79 HydrophobicContact CD1-CE1 4.41Å; L75-Y79 HydrophobicContact CD1-CE2 4.13Å; L75-Y79 HydrophobicContact CD2-CE2 3.98Å; L75-Y79 HydrophobicContact CG-CD2 4.31Å; L75-Y79 HydrophobicContact CG-CE2 3.55Å; L75-Y79 WeakPolarHBondContact O-CD2 3.28Å; L75-Y79 PolarHBondContact O-N 2.91Å; L75-Y79 VanDerWaalsContact O-N 3.07Å; L75-Q187 HydrophobicContact CD2-CG 4.3Å
76G87Confident93.5Very high10 Ų1048.5 Ų48.510%0.10326%0.263CS..Hα-helixtrans-58.9-40.3176.100000113.2A78 Y79 L80 F186G76-A78 VanDerWaalsContact C-N 3.27Å; G76-A78 PolarHBondContact O-N 3.32Å; G76-Y79 PolarHBondContact O-N 3.42Å; G76-L80 PolarHBondContact O-N 2.92Å; G76-F186 VanDerWaalsContact CA-CZ 3.44Å
77S90.3Very high93.4Very high40 Ų4053.6 Ų53.628%0.2828%0.284SS..Hα-helixtrans-69.1-25.6175.368.70000112.7R69 L73 G74 L75 H81R69-S77 PolarHBondContact NH1-O 2.98Å; R69-S77 PolarHBondContact NH1-OG 3.47Å; L73-S77 PolarHBondContact O-OG 2.85Å; G74-S77 PolarHBondContact O-OG 2.81Å; L75-S77 VanDerWaalsContact C-N 3.3Å; L75-S77 PolarHBondContact O-N 3.46Å; S77-H81 WeakPolarHBondContact O-CB 3.46Å; S77-H81 PolarHBondContact O-N 2.75Å
78A93.4Very high93.4Very high0 Ų051 Ų510%027%0.273CS..Hα-helixtrans-68.5-45.1173.100000110.3P9 V40 R69 G74 L75 G76 H81 G82P9-A78 HydrophobicContact CB-CB 4.18Å; P9-A78 HydrophobicContact CG-CB 4.42Å; V40-A78 HydrophobicContact CG1-CB 4.06Å; R69-A78 VanDerWaalsContact CZ-CA 3.49Å; R69-A78 VanDerWaalsContact NH1-CA 3.33Å; G74-A78 PolarHBondContact O-N 2.9Å; L75-A78 WeakPolarHBondContact O-CA 3.27Å; L75-A78 VanDerWaalsContact O-CB 3.25Å; L75-A78 WeakPolarHBondContact O-CB 3.01Å; L75-A78 PolarHBondContact O-N 3Å; G76-A78 VanDerWaalsContact C-N 3.27Å; G76-A78 PolarHBondContact O-N 3.32Å; A78-H81 WeakPolarHBondContact O-CB 3.32Å; A78-H81 PolarHBondContact O-N 2.72Å; A78-G82 PolarHBondContact O-N 2.84Å
79Y92.7Very high93.4Very high0 Ų051.9 Ų51.90%027%0.273CS..Hα-helixtrans-64-42.6175.5-61-41.7000112.4I7 P9 L75 G76 H81 G82 L83 I93 F186 Q187I7-Y79 HydrophobicContact CG2-CD1 4.02Å; P9-Y79 HydrophobicContact CG-CD1 3.93Å; P9-Y79 HydrophobicContact CG-CE1 3.3Å; L75-Y79 HydrophobicContact CD1-CE1 4.41Å; L75-Y79 HydrophobicContact CD1-CE2 4.13Å; L75-Y79 HydrophobicContact CD2-CE2 3.98Å; L75-Y79 HydrophobicContact CG-CD2 4.31Å; L75-Y79 HydrophobicContact CG-CE2 3.55Å; L75-Y79 WeakPolarHBondContact O-CD2 3.28Å; L75-Y79 PolarHBondContact O-N 2.91Å; L75-Y79 VanDerWaalsContact O-N 3.07Å; G76-Y79 PolarHBondContact O-N 3.42Å; Y79-H81 VanDerWaalsContact C-N 3.28Å; Y79-H81 PolarHBondContact O-N 2.68Å; Y79-G82 PolarHBondContact O-N 2.7Å; Y79-L83 VanDerWaalsContact O-CB 3.28Å; Y79-L83 WeakPolarHBondContact O-CB 3.4Å; Y79-L83 VanDerWaalsContact O-CG 3.32Å; Y79-L83 WeakPolarHBondContact O-CG 3.44Å; Y79-L83 PolarHBondContact O-N 3.27Å; Y79-I93 HydrophobicContact CD1-CB 4.24Å; Y79-I93 HydrophobicContact CD1-CG2 3.63Å; Y79-I93 HydrophobicContact CD2-CD1 4.43Å; Y79-I93 HydrophobicContact CE1-CB 3.68Å; Y79-I93 HydrophobicContact CE1-CD1 4.31Å; Y79-I93 HydrophobicContact CE1-CG2 3.61Å; Y79-I93 HydrophobicContact CE2-CD1 3.83Å; Y79-I93 HydrophobicContact CG-CG2 4.23Å; Y79-F186 AromaticContact CD2-CE1 3.64Å; Y79-F186 HydrophobicContact CD2-CE1 3.64Å; Y79-F186 AromaticContact CD2-CZ 3.95Å; Y79-F186 HydrophobicContact CD2-CZ 3.95Å; Y79-F186 HydrophobicContact CE2-CD1 4.46Å; Y79-F186 AromaticContact CE2-CE1 3.7Å; Y79-F186 HydrophobicContact CE2-CE1 3.7Å; Y79-F186 HydrophobicContact CE2-CZ 4.47Å; Y79-Q187 PolarHBondContact OH-NE2 2.97Å
80L91.6Very high93.4Very high73 Ų7352.1 Ų52.138%0.38228%0.275SS..Hα-helixtrans-59.6-40.5172.5-73.7179.2000112.1G76 L83 K84 V176G76-L80 PolarHBondContact O-N 2.92Å; L80-L83 HydrophobicContact CD2-CD1 4.42Å; L80-K84 WeakPolarHBondContact O-CG 3.47Å; L80-K84 PolarHBondContact O-N 3.15Å; L80-V176 HydrophobicContact CD1-CG1 3.88Å; L80-V176 HydrophobicContact CD2-CB 3.92Å; L80-V176 HydrophobicContact CD2-CG1 3.43Å; L80-V176 VanDerWaalsContact CD2-CG1 3.43Å; L80-V176 HydrophobicContact CG-CB 4.4Å; L80-V176 HydrophobicContact CG-CG1 3.39Å
81H95.3Very high93.6Very high46 Ų4647.5 Ų47.521%0.21324%0.243CC..Hα-helixtrans-64-48.6177.6-171.482.9000111.1V40 S77 A78 Y79 L83 K84 F85V40-H81 HydrophobicContact CG1-CB 4.44Å; S77-H81 WeakPolarHBondContact O-CB 3.46Å; S77-H81 PolarHBondContact O-N 2.75Å; A78-H81 WeakPolarHBondContact O-CB 3.32Å; A78-H81 PolarHBondContact O-N 2.72Å; Y79-H81 VanDerWaalsContact C-N 3.28Å; Y79-H81 PolarHBondContact O-N 2.68Å; H81-L83 PolarHBondContact O-N 2.8Å; H81-K84 WeakPolarHBondContact O-CB 3.47Å; H81-K84 PolarHBondContact O-N 3.14Å; H81-F85 AromaticContact NE2-CE2 3.76Å; H81-F85 WeakPolarHBondContact O-CD2 3.46Å; H81-F85 WeakPolarHBondContact O-CE2 3.27Å
82G97Very high93.9Very high0 Ų046.8 Ų46.80%024%0.235CC..Hα-helixtrans-61.8-40.9176.800000113.1A78 Y79 K84 F85 A86A78-G82 PolarHBondContact O-N 2.84Å; Y79-G82 PolarHBondContact O-N 2.7Å; G82-K84 PolarHBondContact O-N 2.81Å; G82-F85 PolarHBondContact O-N 2.86Å; G82-A86 PolarHBondContact O-N 2.82Å
83L96.2Very high94.3Very high16 Ų1640.8 Ų40.88%0.08421%0.209CC..Hα-helixtrans-57.2-32.1179-88.7176.4000113.8I7 Y79 L80 H81 F85 A86 I91 K169 L172I7-L83 HydrophobicContact CD1-CD2 4.39Å; I7-L83 HydrophobicContact CD1-CG 4.18Å; Y79-L83 VanDerWaalsContact O-CB 3.28Å; Y79-L83 WeakPolarHBondContact O-CB 3.4Å; Y79-L83 VanDerWaalsContact O-CG 3.32Å; Y79-L83 WeakPolarHBondContact O-CG 3.44Å; Y79-L83 PolarHBondContact O-N 3.27Å; L80-L83 HydrophobicContact CD2-CD1 4.42Å; H81-L83 PolarHBondContact O-N 2.8Å; L83-F85 PolarHBondContact O-N 2.83Å; L83-F85 VanDerWaalsContact O-N 3.15Å; L83-A86 PolarHBondContact O-N 3.3Å; L83-I91 HydrophobicContact CD2-CD1 3.99Å; L83-I91 HydrophobicContact CD2-CG1 3.75Å; L83-I91 HydrophobicContact CD2-CG2 4.39Å; L83-K169 HydrophobicContact CD2-CG 4.3Å; L83-L172 HydrophobicContact CD1-CD2 4.05Å; L83-L172 HydrophobicContact CD1-CG 3.98Å; L83-L172 HydrophobicContact CD2-CD2 4Å; L83-L172 HydrophobicContact CG-CD2 4.15Å
84K96.5Very high94.7Very high164 Ų16435.8 Ų35.871%0.71318%0.183SC*.THydrogen-bonded Turntrans-60.4-22.6176.1-68.9173.9-177.3-173.40112.9L80 H81 G82L80-K84 WeakPolarHBondContact O-CG 3.47Å; L80-K84 PolarHBondContact O-N 3.15Å; H81-K84 WeakPolarHBondContact O-CB 3.47Å; H81-K84 PolarHBondContact O-N 3.14Å; G82-K84 PolarHBondContact O-N 2.81Å
85F97.4Very high95Very high71 Ų7136.5 Ų36.531%0.31118%0.181SC..THydrogen-bonded Turntrans-112.3-7.5-176.7-53.9-78.1000113.1K67 H81 G82 L83 K87K67-F85 HydrophobicContact CB-CD2 4.23Å; K67-F85 HydrophobicContact CB-CE2 4.28Å; K67-F85 HydrophobicContact CD-CB 4.48Å; K67-F85 HydrophobicContact CD-CD1 3.79Å; K67-F85 HydrophobicContact CD-CD2 3.53Å; K67-F85 HydrophobicContact CD-CE1 3.79Å; K67-F85 HydrophobicContact CD-CE2 3.54Å; K67-F85 HydrophobicContact CD-CG 3.65Å; K67-F85 HydrophobicContact CD-CZ 3.67Å; K67-F85 HydrophobicContact CG-CB 4.33Å; K67-F85 HydrophobicContact CG-CD1 4.49Å; K67-F85 HydrophobicContact CG-CD2 3.5Å; K67-F85 VanDerWaalsContact CG-CD2 3.5Å; K67-F85 HydrophobicContact CG-CE2 3.85Å; K67-F85 HydrophobicContact CG-CG 3.85Å; K67-F85 HydrophobicContact CG-CZ 4.48Å; K67-F85 VanDerWaalsContact NZ-CE1 3.35Å; H81-F85 AromaticContact NE2-CE2 3.76Å; H81-F85 WeakPolarHBondContact O-CD2 3.46Å; H81-F85 WeakPolarHBondContact O-CE2 3.27Å; G82-F85 PolarHBondContact O-N 2.86Å; L83-F85 PolarHBondContact O-N 2.83Å; L83-F85 VanDerWaalsContact O-N 3.15Å; F85-K87 PolarHBondContact O-N 2.91Å
86A98Very high95.3Very high5 Ų534.3 Ų34.34%0.04117%0.17CC..  trans-70122.6177.100000111.4I38 G82 L83 I91 K169I38-A86 VanDerWaalsContact CD1-CA 3.48Å; I38-A86 HydrophobicContact CD1-CB 3.73Å; G82-A86 PolarHBondContact O-N 2.82Å; L83-A86 PolarHBondContact O-N 3.3Å; A86-I91 HydrophobicContact CB-CD1 3.54Å; A86-K169 PolarHBondContact O-NZ 2.81Å
87K97.4Very high95.5Very high127 Ų12734.9 Ų34.955%0.55217%0.171SC*.  trans-95.9-22.3176.7-58.4174.5-168.6159.20112.5L3 S5 E36 F85L3-K87 HydrophobicContact CD2-CB 3.77Å; S5-K87 PolarHBondContact OG-N 3.34Å; E36-K87 WeakPolarHBondContact OE1-CB 3.44Å; E36-K87 PolarHBondContact OE1-N 3.18Å; E36-K87 WeakPolarHBondContact OE2-CD 3.31Å; E36-K87 IonicContact OE2-NZ 3.31Å; F85-K87 PolarHBondContact O-N 2.91Å
88G97.5Very high95.5Very high1 Ų134.3 Ų34.31%0.0116%0.164CC..SBendtrans-70.7150.8-17900000113.6L3 S5 F90 K169L3-G88 CarbonylContact O-C 3.59Å; L3-G88 WeakPolarHBondContact O-CA 3.46Å; S5-G88 WeakPolarHBondContact OG-CA 3.34Å; S5-G88 PolarHBondContact OG-N 2.88Å; G88-F90 VanDerWaalsContact C-N 3.25Å; G88-K169 VanDerWaalsContact O-CD 3.27Å; G88-K169 WeakPolarHBondContact O-CD 3.3Å
89D96.7Very high95.3Very high101 Ų10134.5 Ų34.554%0.5417%0.165SC..SBendtrans-74.9-21.6177-58.6-49.1000112T2 L3 K169T2-D89 HydrophobicContact CG2-CB 4.21Å; L3-D89 PolarHBondContact O-N 3.13Å; D89-K169 VanDerWaalsContact O-CB 3.26Å; D89-K169 WeakPolarHBondContact O-CB 3.46Å; D89-K169 PolarHBondContact O-N 3Å
90F98.6Very high95.3Very high25 Ų2534.6 Ų34.611%0.1117%0.166CC..EExtended strand (participates in β ladder)trans-121.6138.3177.3-67-87000110.4T2 Y4 S5 G88 Q112 L166 Y167 K168T2-F90 HydrophobicContact CG2-CD2 3.52Å; T2-F90 HydrophobicContact CG2-CE2 3.74Å; Y4-F90 HydrophobicContact CD1-CB 3.54Å; Y4-F90 HydrophobicContact CD1-CG 4.29Å; Y4-F90 HydrophobicContact CE1-CB 3.68Å; Y4-F90 AromaticContact CE1-CD2 3.93Å; Y4-F90 HydrophobicContact CE1-CD2 3.93Å; Y4-F90 AromaticContact CE1-CG 3.91Å; Y4-F90 HydrophobicContact CE1-CG 3.91Å; S5-F90 PolarHBondContact N-O 3.06Å; G88-F90 VanDerWaalsContact C-N 3.25Å; F90-Q112 HydrophobicContact CD1-CG 4.27Å; F90-Q112 HydrophobicContact CE1-CG 3.71Å; F90-Q112 VanDerWaalsContact CE1-NE2 3.32Å; F90-Q112 VanDerWaalsContact CZ-CD 3.44Å; F90-Q112 HydrophobicContact CZ-CG 4.38Å; F90-Q112 VanDerWaalsContact CZ-NE2 3.34Å; F90-L166 HydrophobicContact CD1-CD2 3.68Å; F90-L166 HydrophobicContact CE1-CD2 4.38Å; F90-L166 HydrophobicContact CG-CD2 4.47Å; F90-Y167 CarbonylContact C-O 3.6Å; F90-Y167 VanDerWaalsContact CA-O 3.27Å; F90-Y167 WeakPolarHBondContact CA-O 3.42Å; F90-K168 HydrophobicContact CD1-CG 4.09Å; F90-K168 HydrophobicContact CE1-CB 4.43Å; F90-K168 HydrophobicContact CE1-CG 3.49Å; F90-K168 VanDerWaalsContact CE1-CG 3.49Å; F90-K168 HydrophobicContact CZ-CG 4.24Å
91I98.7Very high95.5Very high0 Ų034.5 Ų34.50%016%0.163CC..EExtended strand (participates in β ladder)trans-115.1123.3-177.3-48.4-61.4000108.5S5 I7 L83 A86 I93 L166 Y167 K169 L172S5-I91 CarbonylContact O-C 3.55Å; S5-I91 VanDerWaalsContact O-CA 3.32Å; S5-I91 WeakPolarHBondContact O-CA 3.32Å; I7-I91 HydrophobicContact CD1-CG2 3.55Å; I7-I91 HydrophobicContact CG1-CG2 3.93Å; L83-I91 HydrophobicContact CD2-CD1 3.99Å; L83-I91 HydrophobicContact CD2-CG1 3.75Å; L83-I91 HydrophobicContact CD2-CG2 4.39Å; A86-I91 HydrophobicContact CB-CD1 3.54Å; I91-I93 HydrophobicContact CG2-CG2 4.23Å; I91-L166 CarbonylContact O-C 3.56Å; I91-L166 WeakPolarHBondContact O-CA 3.34Å; I91-Y167 PolarHBondContact N-O 2.76Å; I91-Y167 PolarHBondContact O-N 2.93Å; I91-K169 HydrophobicContact CD1-CB 4.18Å; I91-K169 HydrophobicContact CD1-CD 4.24Å; I91-K169 HydrophobicContact CD1-CG 4.11Å; I91-K169 HydrophobicContact CG1-CB 3.88Å; I91-K169 HydrophobicContact CG1-CG 4.06Å; I91-L172 HydrophobicContact CB-CD2 3.83Å; I91-L172 HydrophobicContact CG1-CD2 4.27Å; I91-L172 HydrophobicContact CG2-CD2 3.55Å
92I98.6Very high95.6Very high0 Ų032.3 Ų32.30%015%0.153CC..EExtended strand (participates in β ladder)trans-103.5122171.6-63.2155.7000107.1Y4 S5 I6 I7 I105 F164 R165 L166Y4-I92 HydrophobicContact CD1-CD1 4.3Å; S5-I92 PolarHBondContact O-N 3.41Å; I6-I92 CarbonylContact C-O 3.54Å; I6-I92 VanDerWaalsContact CA-O 3.32Å; I6-I92 WeakPolarHBondContact CA-O 3.31Å; I6-I92 HydrophobicContact CG1-CB 4.16Å; I6-I92 HydrophobicContact CG1-CD1 4.1Å; I6-I92 HydrophobicContact CG2-CG2 4.43Å; I7-I92 PolarHBondContact N-O 3.43Å; I92-I105 HydrophobicContact CD1-CG2 3.51Å; I92-I105 HydrophobicContact CG2-CD1 4.42Å; I92-I105 HydrophobicContact CG2-CG1 4.39Å; I92-F164 HydrophobicContact CG2-CD2 4.32Å; I92-F164 HydrophobicContact CG2-CE2 3.76Å; I92-R165 CarbonylContact C-O 3.51Å; I92-R165 VanDerWaalsContact CA-O 3.31Å; I92-R165 WeakPolarHBondContact CA-O 3.35Å; I92-L166 HydrophobicContact CD1-CD1 4.41Å; I92-L166 HydrophobicContact CG1-CB 4.09Å; I92-L166 HydrophobicContact CG1-CD1 4.06Å; I92-L166 HydrophobicContact CG1-CG 4.08Å
93I96.9Very high95.6Very high1 Ų137.5 Ų37.51%0.00518%0.176CC..EExtended strand (participates in β ladder)trans-104.2135.7171.559.1166.4000108.8I7 Y79 I91 S163 F164 R165 Y167 L172I7-I93 HydrophobicContact CB-CG2 4.36Å; Y79-I93 HydrophobicContact CD1-CB 4.24Å; Y79-I93 HydrophobicContact CD1-CG2 3.63Å; Y79-I93 HydrophobicContact CD2-CD1 4.43Å; Y79-I93 HydrophobicContact CE1-CB 3.68Å; Y79-I93 HydrophobicContact CE1-CD1 4.31Å; Y79-I93 HydrophobicContact CE1-CG2 3.61Å; Y79-I93 HydrophobicContact CE2-CD1 3.83Å; Y79-I93 HydrophobicContact CG-CG2 4.23Å; I91-I93 HydrophobicContact CG2-CG2 4.23Å; I93-S163 WeakPolarHBondContact CD1-O 3.39Å; I93-S163 WeakPolarHBondContact CG1-O 3.12Å; I93-F164 WeakPolarHBondContact O-CA 3.28Å; I93-F164 WeakPolarHBondContact O-CD2 3.42Å; I93-R165 HydrophobicContact CD1-CB 4.43Å; I93-R165 HydrophobicContact CG1-CB 4.04Å; I93-R165 PolarHBondContact N-O 2.91Å; I93-R165 PolarHBondContact O-N 3.07Å; I93-R165 VanDerWaalsContact O-N 3.13Å; I93-Y167 HydrophobicContact CD1-CE2 3.75Å; I93-Y167 HydrophobicContact CG1-CD2 4.38Å; I93-Y167 HydrophobicContact CG1-CE2 3.95Å; I93-L172 HydrophobicContact CG2-CD2 4.2Å
94M95.7Very high95.6Very high0 Ų037.9 Ų37.90%018%0.177CC..  trans-154.5162.1174.865-178.9-63.600111I6 I7 L8 P9 I20 I24 H100 P102 I105 F164I6-M94 HydrophobicContact CG2-CG 4.31Å; I6-M94 HydrophobicContact CG2-SD 4.26Å; I7-M94 PolarHBondContact O-N 3.2Å; L8-M94 HydrophobicContact CD1-CG 3.75Å; L8-M94 WeakPolarHBondContact CD1-O 3.48Å; P9-M94 WeakPolarHBondContact CD-O 3.24Å; I20-M94 HydrophobicContact CD1-CE 3.76Å; I20-M94 HydrophobicContact CG1-CE 4.37Å; I24-M94 HydrophobicContact CD1-SD 4.01Å; I24-M94 HydrophobicContact CG1-SD 4.43Å; M94-H100 HydrophobicContact CE-CB 4.24Å; M94-H100 WeakPolarHBondContact CE-O 3.13Å; M94-P102 HydrophobicContact CE-CG 3.96Å; M94-I105 HydrophobicContact SD-CD1 4.32Å; M94-F164 HydrophobicContact CB-CD2 3.7Å; M94-F164 HydrophobicContact CB-CE2 4.11Å; M94-F164 HydrophobicContact CB-CG 4.39Å; M94-F164 HydrophobicContact SD-CE2 4.41Å
95D93Very high95.7Very high40 Ų4030 Ų3021%0.21414%0.143CC..  trans-80.6149175.7-56.7-42.1000111D97 H100 S163D95-D97 VanDerWaalsContact C-N 3.33Å; D95-D97 WeakPolarHBondContact CB-OD1 3.25Å; D95-H100 IonicContact OD2-CE1 3.86Å; D95-H100 PolarHBondContact OD2-CE1 3.39Å; D95-H100 IonicContact OD2-ND1 3.88Å; D95-H100 PolarHBondContact OD2-ND1 3.42Å; D95-H100 VanDerWaalsContact OD2-ND1 3.14Å; D95-S163 PolarHBondContact OD1-OG 3.33Å; D95-S163 PolarHBondContact OD2-OG 3.07Å
96A93.5Very high95.8Very high1 Ų127.8 Ų27.81%0.00814%0.135CC..SBendtrans-80.2-12.2-179.800000114.3L8 T10 E13 N16 L98L8-A96 HydrophobicContact CD1-CB 3.95Å; L8-A96 HydrophobicContact CD2-CB 3.96Å; L8-A96 HydrophobicContact CG-CB 3.76Å; T10-A96 HydrophobicContact CG2-CB 3.76Å; E13-A96 HydrophobicContact CB-CB 4.24Å; E13-A96 HydrophobicContact CG-CB 3.92Å; N16-A96 WeakPolarHBondContact CB-O 3.37Å; A96-L98 PolarHBondContact O-N 2.93Å
97D90.4Very high95.8Very high22 Ų2232 Ų3212%0.11815%0.154CC..SBendtrans-8311.7-167.766.60.6000115D95 S99 R211 F212D95-D97 VanDerWaalsContact C-N 3.33Å; D95-D97 WeakPolarHBondContact CB-OD1 3.25Å; D97-S99 PolarHBondContact O-N 2.9Å; D97-S99 WeakPolarHBondContact OD1-CB 3.41Å; D97-S99 PolarHBondContact OD1-N 2.88Å; D97-S99 PolarHBondContact OD1-OG 3.04Å; D97-R211 HydrophobicContact CB-CB 4.08Å; D97-F212 PolarHBondContact O-N 3.23Å
98L90.1Very high95.8Very high27 Ų2726 Ų2614%0.14113%0.128CC..SBendtrans655.6-177.1-62.8157.2000115.2I19 I20 I23 A96 H100 F212I19-L98 HydrophobicContact CB-CD1 4.19Å; I19-L98 HydrophobicContact CD1-CD1 4.48Å; I19-L98 HydrophobicContact CG2-CD1 3.9Å; I19-L98 HydrophobicContact CG2-CD2 4.04Å; I20-L98 HydrophobicContact CB-CD2 3.93Å; I20-L98 HydrophobicContact CB-CG 4.41Å; I20-L98 HydrophobicContact CD1-CD2 3.62Å; I20-L98 HydrophobicContact CD1-CG 4.41Å; I20-L98 HydrophobicContact CG1-CD2 4.37Å; I23-L98 HydrophobicContact CD1-CD2 3.76Å; A96-L98 PolarHBondContact O-N 2.93Å; L98-H100 PolarHBondContact O-N 3.36Å; L98-F212 HydrophobicContact CB-CB 4.11Å; L98-F212 HydrophobicContact CD1-CB 3.72Å; L98-F212 HydrophobicContact CD1-CD1 4.3Å; L98-F212 HydrophobicContact CD1-CG 4.15Å
99S90.1Very high95.9Very high4 Ų425.9 Ų25.93%0.02813%0.127CC..SBendtrans-64.7-28.7176.7-80.50000113.2D97 F208 V209 R211D97-S99 PolarHBondContact O-N 2.9Å; D97-S99 WeakPolarHBondContact OD1-CB 3.41Å; D97-S99 PolarHBondContact OD1-N 2.88Å; D97-S99 PolarHBondContact OD1-OG 3.04Å; S99-F208 VanDerWaalsContact CB-CZ 3.46Å; S99-V209 VanDerWaalsContact CA-O 3.23Å; S99-V209 WeakPolarHBondContact CA-O 3.36Å; S99-V209 WeakPolarHBondContact CB-O 3.27Å; S99-V209 PolarHBondContact O-N 3.44Å; S99-V209 PolarHBondContact OG-O 2.97Å; S99-R211 PolarHBondContact OG-N 3.19Å
100H92.9Very high95.9Very high2 Ų226.9 Ų26.91%0.00913%0.127CC..BIsolated β-bridgetrans-106.6109.6173.1-62.2106.2000110M94 D95 L98 P102 S163 F164 F208M94-H100 HydrophobicContact CE-CB 4.24Å; M94-H100 WeakPolarHBondContact CE-O 3.13Å; D95-H100 IonicContact OD2-CE1 3.86Å; D95-H100 PolarHBondContact OD2-CE1 3.39Å; D95-H100 IonicContact OD2-ND1 3.88Å; D95-H100 PolarHBondContact OD2-ND1 3.42Å; D95-H100 VanDerWaalsContact OD2-ND1 3.14Å; L98-H100 PolarHBondContact O-N 3.36Å; H100-P102 WeakPolarHBondContact O-CD 3.24Å; H100-S163 PolarHBondContact CE1-OG 3.16Å; H100-F164 HydrophobicContact CB-CB 3.96Å; H100-F164 HydrophobicContact CB-CD1 3.78Å; H100-F164 HydrophobicContact CB-CE1 4.39Å; H100-F164 HydrophobicContact CB-CG 3.96Å; H100-F164 WeakPolarHBondContact CD2-CB 3.42Å; H100-F164 AromaticContact CD2-CD1 3.98Å; H100-F208 AromaticContact CD2-CD2 3.86Å; H100-F208 AromaticContact CE1-CE2 3.59Å; H100-F208 AromaticContact NE2-CD2 3.52Å; H100-F208 AromaticContact NE2-CE2 3.58Å
101H94.6Very high95.9Very high72 Ų7227.4 Ų27.433%0.33313%0.131SC..  trans-76.3125.6-176.3-166.2-71.2000111.6K103 F104H101-K103 HydrophobicContact CB-CD 4.48Å; H101-K103 HydrophobicContact CB-CG 4.24Å; H101-K103 WeakPolarHBondContact ND1-CB 3.43Å; H101-K103 WeakPolarHBondContact ND1-CD 3.42Å; H101-K103 WeakPolarHBondContact ND1-CG 3.36Å; H101-K103 PolarHBondContact ND1-N 3Å; H101-K103 PolarHBondContact O-N 3.2Å; H101-F104 HydrophobicContact CB-CD2 4.39Å; H101-F104 HydrophobicContact CB-CE2 4.23Å; H101-F104 VanDerWaalsContact O-CD2 3.29Å; H101-F104 WeakPolarHBondContact O-CD2 3.46Å; H101-F104 PolarHBondContact O-N 2.83Å
102P97.4Very high95.9Very high0 Ų027.8 Ų27.80%013%0.132CC..G310 helixtrans-57.3-20.9-178.5-26.632.1000115.6I20 I23 I24 V27 M94 H100 F104 I105I20-P102 HydrophobicContact CD1-CG 3.53Å; I23-P102 HydrophobicContact CB-CG 4.18Å; I23-P102 HydrophobicContact CG2-CB 3.96Å; I23-P102 HydrophobicContact CG2-CG 3.66Å; I24-P102 HydrophobicContact CG1-CB 3.91Å; I24-P102 HydrophobicContact CG1-CG 3.64Å; V27-P102 HydrophobicContact CG2-CB 4.32Å; M94-P102 HydrophobicContact CE-CG 3.96Å; H100-P102 WeakPolarHBondContact O-CD 3.24Å; P102-F104 PolarHBondContact O-N 3.31Å; P102-I105 HydrophobicContact CB-CD1 4.08Å; P102-I105 VanDerWaalsContact O-CB 3.32Å; P102-I105 WeakPolarHBondContact O-CB 3.44Å; P102-I105 VanDerWaalsContact O-CG1 3.29Å; P102-I105 WeakPolarHBondContact O-CG1 3.44Å; P102-I105 PolarHBondContact O-N 2.97Å
103K96.5Very high95.8Very high108 Ų10833 Ų3347%0.4716%0.155SC..G310 helixtrans-49.6-22.617675.8-173.5-178.3177.80115.1H101 P106H101-K103 HydrophobicContact CB-CD 4.48Å; H101-K103 HydrophobicContact CB-CG 4.24Å; H101-K103 WeakPolarHBondContact ND1-CB 3.43Å; H101-K103 WeakPolarHBondContact ND1-CD 3.42Å; H101-K103 WeakPolarHBondContact ND1-CG 3.36Å; H101-K103 PolarHBondContact ND1-N 3Å; H101-K103 PolarHBondContact O-N 3.2Å; K103-P106 WeakPolarHBondContact O-CD 3.42Å
104F97.7Very high95.9Very high24 Ų2439 Ų3911%0.10518%0.183CC..G310 helixtrans-86.8-12.5178.8-57.5-72.5000113.4H101 P102 E107 F108 F164 I206H101-F104 HydrophobicContact CB-CD2 4.39Å; H101-F104 HydrophobicContact CB-CE2 4.23Å; H101-F104 VanDerWaalsContact O-CD2 3.29Å; H101-F104 WeakPolarHBondContact O-CD2 3.46Å; H101-F104 PolarHBondContact O-N 2.83Å; P102-F104 PolarHBondContact O-N 3.31Å; F104-E107 WeakPolarHBondContact O-CB 3.32Å; F104-E107 PolarHBondContact O-N 3.29Å; F104-E107 VanDerWaalsContact O-N 3.07Å; F104-F108 HydrophobicContact CB-CD1 4.4Å; F104-F108 HydrophobicContact CB-CE1 4.04Å; F104-F108 VanDerWaalsContact O-CD1 3.24Å; F104-F108 WeakPolarHBondContact O-CD1 3.38Å; F104-F108 PolarHBondContact O-N 3.35Å; F104-F164 HydrophobicContact CB-CE1 3.95Å; F104-F164 HydrophobicContact CB-CZ 4.48Å; F104-F164 HydrophobicContact CD2-CE1 4.45Å; F104-I206 HydrophobicContact CB-CG2 3.91Å; F104-I206 HydrophobicContact CD1-CB 4.49Å; F104-I206 HydrophobicContact CD1-CG2 3.96Å; F104-I206 HydrophobicContact CD2-CB 3.92Å; F104-I206 HydrophobicContact CD2-CG2 3.73Å; F104-I206 HydrophobicContact CE1-CB 4.44Å; F104-I206 HydrophobicContact CE1-CG2 4.38Å; F104-I206 HydrophobicContact CE2-CB 3.87Å; F104-I206 HydrophobicContact CE2-CG2 4.18Å; F104-I206 HydrophobicContact CG-CB 4.24Å; F104-I206 HydrophobicContact CG-CG2 3.61Å; F104-I206 HydrophobicContact CZ-CB 4.15Å; F104-I206 HydrophobicContact CZ-CG2 4.48Å
105I98.5Very high96Very high0 Ų043 Ų430%020%0.201CC..Hα-helixtrans-52.9-46.2177-65.7175.4000112I6 M28 I92 M94 P102 E107 F108 I109 F164I6-I105 HydrophobicContact CD1-CD1 4Å; M28-I105 HydrophobicContact CE-CG2 4.3Å; M28-I105 HydrophobicContact SD-CB 4.38Å; M28-I105 HydrophobicContact SD-CG2 3.55Å; M28-I105 VanDerWaalsContact SD-CG2 3.55Å; I92-I105 HydrophobicContact CD1-CG2 3.51Å; I92-I105 HydrophobicContact CG2-CD1 4.42Å; I92-I105 HydrophobicContact CG2-CG1 4.39Å; M94-I105 HydrophobicContact SD-CD1 4.32Å; P102-I105 HydrophobicContact CB-CD1 4.08Å; P102-I105 VanDerWaalsContact O-CB 3.32Å; P102-I105 WeakPolarHBondContact O-CB 3.44Å; P102-I105 VanDerWaalsContact O-CG1 3.29Å; P102-I105 WeakPolarHBondContact O-CG1 3.44Å; P102-I105 PolarHBondContact O-N 2.97Å; I105-E107 VanDerWaalsContact C-N 3.29Å; I105-E107 PolarHBondContact O-N 3.4Å; I105-F108 WeakPolarHBondContact O-CB 3.31Å; I105-F108 PolarHBondContact O-N 3.3Å; I105-F108 VanDerWaalsContact O-N 3.14Å; I105-I109 HydrophobicContact CG2-CD1 3.77Å; I105-I109 HydrophobicContact CG2-CG1 4.35Å; I105-I109 WeakPolarHBondContact O-CG1 3.46Å; I105-I109 PolarHBondContact O-N 3.38Å; I105-F164 HydrophobicContact CG1-CE2 3.97Å; I105-F164 HydrophobicContact CG1-CZ 3.66Å
106P98.2Very high96.2Very high24 Ų2445 Ų4516%0.15621%0.212CC..Hα-helixtrans-61.4-35.9178.4-25.537.7000113.4V27 S31 F33 K103 I109 K110V27-P106 HydrophobicContact CG1-CG 3.66Å; S31-P106 WeakPolarHBondContact OG-CG 3.35Å; F33-P106 HydrophobicContact CE2-CB 4.16Å; K103-P106 WeakPolarHBondContact O-CD 3.42Å; P106-I109 PolarHBondContact O-N 2.89Å; P106-K110 WeakPolarHBondContact O-CB 3.42Å; P106-K110 PolarHBondContact O-N 3.31Å
107E97.9Very high96.5Very high93 Ų9347.6 Ų47.644%0.43522%0.222SC..Hα-helixtrans-68.8-37.5175.7-66.4-58.3125.800111.4F104 I105 I109 K110 L111 V204F104-E107 WeakPolarHBondContact O-CB 3.32Å; F104-E107 PolarHBondContact O-N 3.29Å; F104-E107 VanDerWaalsContact O-N 3.07Å; I105-E107 VanDerWaalsContact C-N 3.29Å; I105-E107 PolarHBondContact O-N 3.4Å; E107-I109 VanDerWaalsContact C-N 3.34Å; E107-I109 PolarHBondContact O-N 2.81Å; E107-K110 PolarHBondContact O-N 3.41Å; E107-L111 WeakPolarHBondContact O-CB 3.36Å; E107-L111 PolarHBondContact O-N 2.93Å; E107-V204 HydrophobicContact CB-CG1 3.98Å
108F98.6Very high96.8Very high0 Ų047.7 Ų47.70%022%0.222CC..Hα-helixtrans-61.2-46.6174-74.727.4000110.4F104 I105 L111 Q112 V120 G122 F164 L166 V204 I206F104-F108 HydrophobicContact CB-CD1 4.4Å; F104-F108 HydrophobicContact CB-CE1 4.04Å; F104-F108 VanDerWaalsContact O-CD1 3.24Å; F104-F108 WeakPolarHBondContact O-CD1 3.38Å; F104-F108 PolarHBondContact O-N 3.35Å; I105-F108 WeakPolarHBondContact O-CB 3.31Å; I105-F108 PolarHBondContact O-N 3.3Å; I105-F108 VanDerWaalsContact O-N 3.14Å; F108-L111 PolarHBondContact O-N 3Å; F108-Q112 VanDerWaalsContact O-CB 3.28Å; F108-Q112 WeakPolarHBondContact O-CB 3.5Å; F108-Q112 PolarHBondContact O-N 3.32Å; F108-V120 HydrophobicContact CB-CG1 4.05Å; F108-V120 HydrophobicContact CD1-CG1 4.23Å; F108-V120 HydrophobicContact CD2-CG1 4.26Å; F108-V120 HydrophobicContact CG-CG1 3.91Å; F108-G122 VanDerWaalsContact CZ-N 3.34Å; F108-F164 HydrophobicContact CD2-CE2 4.38Å; F108-F164 HydrophobicContact CE1-CE1 4.32Å; F108-F164 HydrophobicContact CE2-CD1 4.09Å; F108-F164 AromaticContact CE2-CD2 3.85Å; F108-F164 HydrophobicContact CE2-CD2 3.85Å; F108-F164 HydrophobicContact CE2-CE1 4.16Å; F108-F164 AromaticContact CE2-CE2 3.89Å; F108-F164 HydrophobicContact CE2-CE2 3.89Å; F108-F164 AromaticContact CE2-CG 3.95Å; F108-F164 HydrophobicContact CE2-CG 3.95Å; F108-F164 HydrophobicContact CE2-CZ 4.04Å; F108-F164 WeakPolarHBondContact CE2-O 3.28Å; F108-F164 AromaticContact CZ-CD1 3.71Å; F108-F164 HydrophobicContact CZ-CD1 3.71Å; F108-F164 HydrophobicContact CZ-CD2 4.31Å; F108-F164 AromaticContact CZ-CE1 3.79Å; F108-F164 HydrophobicContact CZ-CE1 3.79Å; F108-F164 HydrophobicContact CZ-CE2 4.36Å; F108-F164 AromaticContact CZ-CG 3.99Å; F108-F164 HydrophobicContact CZ-CG 3.99Å; F108-F164 HydrophobicContact CZ-CZ 4.11Å; F108-L166 HydrophobicContact CB-CB 4.2Å; F108-L166 HydrophobicContact CB-CD1 4.11Å; F108-L166 HydrophobicContact CD2-CB 3.94Å; F108-V204 HydrophobicContact CD1-CB 3.65Å; F108-V204 HydrophobicContact CD1-CG1 3.89Å; F108-V204 HydrophobicContact CD1-CG2 3.69Å; F108-V204 HydrophobicContact CE1-CB 3.54Å; F108-V204 HydrophobicContact CE1-CG1 3.78Å; F108-V204 HydrophobicContact CE1-CG2 4.12Å; F108-I206 HydrophobicContact CE1-CG2 3.88Å; F108-I206 HydrophobicContact CZ-CG2 4.18Å
109I98.5Very high97.2Very high0 Ų046.4 Ų46.40%022%0.216CC..Hα-helixtrans-62.8-44.5178.6-68.3171000111Y4 M28 F33 I105 P106 E107 Q112 K113 L166Y4-I109 HydrophobicContact CD1-CD1 3.92Å; Y4-I109 HydrophobicContact CD1-CG1 4.01Å; Y4-I109 HydrophobicContact CD2-CD1 4.04Å; Y4-I109 HydrophobicContact CE1-CB 4.46Å; Y4-I109 HydrophobicContact CE1-CD1 3.84Å; Y4-I109 HydrophobicContact CE1-CG1 3.6Å; Y4-I109 HydrophobicContact CE1-CG2 4.21Å; Y4-I109 HydrophobicContact CE2-CD1 3.93Å; Y4-I109 HydrophobicContact CE2-CG1 4.44Å; Y4-I109 HydrophobicContact CE2-CG2 4.33Å; Y4-I109 HydrophobicContact CG-CD1 4.05Å; Y4-I109 VanDerWaalsContact OH-CG2 3.25Å; Y4-I109 WeakPolarHBondContact OH-CG2 3.48Å; M28-I109 HydrophobicContact CE-CD1 4.22Å; F33-I109 HydrophobicContact CB-CD1 4.32Å; F33-I109 HydrophobicContact CD1-CG2 4.35Å; F33-I109 HydrophobicContact CD2-CD1 3.53Å; F33-I109 HydrophobicContact CD2-CG2 4.36Å; F33-I109 HydrophobicContact CE1-CG2 3.9Å; F33-I109 HydrophobicContact CE2-CB 4.16Å; F33-I109 HydrophobicContact CE2-CD1 3.96Å; F33-I109 HydrophobicContact CE2-CG2 3.89Å; F33-I109 HydrophobicContact CG-CD1 3.93Å; F33-I109 HydrophobicContact CZ-CB 4.37Å; F33-I109 HydrophobicContact CZ-CG2 3.65Å; I105-I109 HydrophobicContact CG2-CD1 3.77Å; I105-I109 HydrophobicContact CG2-CG1 4.35Å; I105-I109 WeakPolarHBondContact O-CG1 3.46Å; I105-I109 PolarHBondContact O-N 3.38Å; P106-I109 PolarHBondContact O-N 2.89Å; E107-I109 VanDerWaalsContact C-N 3.34Å; E107-I109 PolarHBondContact O-N 2.81Å; I109-Q112 PolarHBondContact O-N 2.72Å; I109-K113 HydrophobicContact CG2-CD 4.19Å; I109-K113 WeakPolarHBondContact O-CB 3.43Å; I109-K113 WeakPolarHBondContact O-CG 3.2Å; I109-K113 PolarHBondContact O-N 3.47Å; I109-L166 HydrophobicContact CG1-CD1 3.79Å
110K98Very high97.6Very high122 Ų12246.2 Ų46.253%0.5321%0.214SC..Hα-helixtrans-61.1-50178.2-179.6-176173-170.30111.2P106 E107 K113 Q114P106-K110 WeakPolarHBondContact O-CB 3.42Å; P106-K110 PolarHBondContact O-N 3.31Å; E107-K110 PolarHBondContact O-N 3.41Å; K110-K113 PolarHBondContact O-N 3.26Å; K110-Q114 WeakPolarHBondContact O-CB 3.45Å; K110-Q114 PolarHBondContact O-N 3.32Å
111L98.1Very high97.8Very high36 Ų3646.1 Ų46.119%0.18821%0.214CC..Hα-helixtrans-63.3-43.2179.6-171.972.5000111.3E107 F108 K113 Q114 H115 Y117 V120 E203 V204E107-L111 WeakPolarHBondContact O-CB 3.36Å; E107-L111 PolarHBondContact O-N 2.93Å; F108-L111 PolarHBondContact O-N 3Å; L111-K113 PolarHBondContact O-N 2.91Å; L111-Q114 PolarHBondContact O-N 3.47Å; L111-H115 PolarHBondContact O-N 3.48Å; L111-Y117 HydrophobicContact CD1-CE2 4.12Å; L111-Y117 HydrophobicContact CD2-CD2 4.27Å; L111-Y117 HydrophobicContact CD2-CE2 4.07Å; L111-Y117 HydrophobicContact CG-CD2 3.93Å; L111-Y117 HydrophobicContact CG-CE2 3.76Å; L111-V120 HydrophobicContact CD2-CG1 3.97Å; L111-E203 WeakPolarHBondContact CD2-O 3.18Å; L111-V204 HydrophobicContact CB-CG2 4.26Å; L111-V204 HydrophobicContact CD2-CG2 3.71Å
112Q98.4Very high97.9Very high7 Ų742.8 Ų42.83%0.03320%0.199CC..Hα-helixtrans-56.8-50.3175.6-174.8-77.3-42.700110.7F90 F108 I109 Q114 H115 D116 Y117 V120 L166F90-Q112 HydrophobicContact CD1-CG 4.27Å; F90-Q112 HydrophobicContact CE1-CG 3.71Å; F90-Q112 VanDerWaalsContact CE1-NE2 3.32Å; F90-Q112 VanDerWaalsContact CZ-CD 3.44Å; F90-Q112 HydrophobicContact CZ-CG 4.38Å; F90-Q112 VanDerWaalsContact CZ-NE2 3.34Å; F108-Q112 VanDerWaalsContact O-CB 3.28Å; F108-Q112 WeakPolarHBondContact O-CB 3.5Å; F108-Q112 PolarHBondContact O-N 3.32Å; I109-Q112 PolarHBondContact O-N 2.72Å; Q112-Q114 VanDerWaalsContact C-N 3.33Å; Q112-Q114 PolarHBondContact O-N 2.9Å; Q112-H115 PolarHBondContact O-N 2.91Å; Q112-D116 WeakPolarHBondContact O-CA 3.37Å; Q112-D116 PolarHBondContact O-N 3.38Å; Q112-Y117 PolarHBondContact O-N 2.88Å; Q112-V120 HydrophobicContact CB-CG2 3.85Å; Q112-V120 HydrophobicContact CG-CG2 4.5Å; Q112-L166 HydrophobicContact CB-CD2 4.03Å; Q112-L166 HydrophobicContact CG-CD2 3.73Å
113K97.5Very high97.8Very high110 Ų11042.8 Ų42.848%0.47820%0.199SC..Hα-helixtrans-63.9-37.1-179.4-75.9-179.6176.61760113.2Y4 I109 K110 L111 H115Y4-K113 VanDerWaalsContact OH-CE 3.24Å; Y4-K113 WeakPolarHBondContact OH-CE 3.3Å; I109-K113 HydrophobicContact CG2-CD 4.19Å; I109-K113 WeakPolarHBondContact O-CB 3.43Å; I109-K113 WeakPolarHBondContact O-CG 3.2Å; I109-K113 PolarHBondContact O-N 3.47Å; K110-K113 PolarHBondContact O-N 3.26Å; L111-K113 PolarHBondContact O-N 2.91Å; K113-H115 VanDerWaalsContact C-N 3.35Å
114Q98Very high97.5Very high126 Ų12638.5 Ų38.559%0.58918%0.18SC*.Hα-helixtrans-68.5-33.5-176.7-175.9176.7-20.500112.8K110 L111 Q112K110-Q114 WeakPolarHBondContact O-CB 3.45Å; K110-Q114 PolarHBondContact O-N 3.32Å; L111-Q114 PolarHBondContact O-N 3.47Å; Q112-Q114 VanDerWaalsContact C-N 3.33Å; Q112-Q114 PolarHBondContact O-N 2.9Å
115H98.1Very high97Very high85 Ų8540.9 Ų40.939%0.39419%0.189SC..Hα-helixtrans-1230.2-171.4-62.6-70.7000114.4L111 Q112 K113 Y117L111-H115 PolarHBondContact O-N 3.48Å; Q112-H115 PolarHBondContact O-N 2.91Å; K113-H115 VanDerWaalsContact C-N 3.35Å; H115-Y117 VanDerWaalsContact C-N 3.29Å; H115-Y117 HydrophobicContact CB-CD2 3.61Å; H115-Y117 HydrophobicContact CB-CE1 4.35Å; H115-Y117 HydrophobicContact CB-CE2 3.31Å; H115-Y117 HydrophobicContact CB-CG 4.24Å; H115-Y117 AromaticContact CD2-CE2 3.64Å; H115-Y117 AromaticContact CG-CE2 3.67Å; H115-Y117 PolarHBondContact O-N 3.49Å
116D97.9Very high96.4Very high81 Ų8142.4 Ų42.443%0.43320%0.202SC..THydrogen-bonded Turntrans50.447.3-172.8-171.439000112.9Q112 K168Q112-D116 WeakPolarHBondContact O-CA 3.37Å; Q112-D116 PolarHBondContact O-N 3.38Å; D116-K168 VanDerWaalsContact CG-NZ 3.3Å; D116-K168 PolarHBondContact O-NZ 3.42Å; D116-K168 WeakPolarHBondContact OD1-CE 3.17Å; D116-K168 IonicContact OD1-NZ 2.9Å; D116-K168 PolarHBondContact OD1-NZ 3.07Å; D116-K168 IonicContact OD2-NZ 3.18Å; D116-K168 PolarHBondContact OD2-NZ 3.14Å
117Y98.5Very high95.6Very high56 Ų5647.7 Ų47.722%0.2224%0.239CC..  trans-64.7143.7175.6-72.9-61.7000111.2L111 Q112 H115 V120 K168 K200 I201L111-Y117 HydrophobicContact CD1-CE2 4.12Å; L111-Y117 HydrophobicContact CD2-CD2 4.27Å; L111-Y117 HydrophobicContact CD2-CE2 4.07Å; L111-Y117 HydrophobicContact CG-CD2 3.93Å; L111-Y117 HydrophobicContact CG-CE2 3.76Å; Q112-Y117 PolarHBondContact O-N 2.88Å; H115-Y117 VanDerWaalsContact C-N 3.29Å; H115-Y117 HydrophobicContact CB-CD2 3.61Å; H115-Y117 HydrophobicContact CB-CE1 4.35Å; H115-Y117 HydrophobicContact CB-CE2 3.31Å; H115-Y117 HydrophobicContact CB-CG 4.24Å; H115-Y117 AromaticContact CD2-CE2 3.64Å; H115-Y117 AromaticContact CG-CE2 3.67Å; H115-Y117 PolarHBondContact O-N 3.49Å; Y117-V120 HydrophobicContact CD2-CG2 4.18Å; Y117-V120 HydrophobicContact CG-CG2 4.33Å; Y117-K168 WeakPolarHBondContact O-CE 3.36Å; Y117-K200 HydrophobicContact CD1-CB 3.82Å; Y117-K200 HydrophobicContact CE1-CB 4.44Å; Y117-I201 VanDerWaalsContact CD1-C 3.47Å; Y117-I201 WeakPolarHBondContact CE1-O 3.46Å
118D98.5Very high95Very high24 Ų2448.7 Ų48.713%0.12825%0.248CC..SBendtrans-81.8-34.4174.8-62.6-48.1000110.9Y167 K168 V171 Y199 K200D118-Y167 WeakPolarHBondContact O-CA 3.25Å; D118-K168 PolarHBondContact O-N 3.4Å; D118-K168 WeakPolarHBondContact OD1-CD 3.15Å; D118-K168 WeakPolarHBondContact OD1-CE 3.46Å; D118-K168 IonicContact OD1-NZ 2.84Å; D118-K168 PolarHBondContact OD1-NZ 3.16Å; D118-V171 HydrophobicContact CB-CG1 4.33Å; D118-V171 HydrophobicContact CB-CG2 4.03Å; D118-Y199 HydrophobicContact CB-CD1 3.96Å; D118-Y199 HydrophobicContact CB-CG 4.31Å; D118-K200 PolarHBondContact N-O 2.91Å; D118-K200 PolarHBondContact OD2-N 2.89Å
119V98.3Very high94.5Very high0 Ų049.8 Ų49.80%026%0.258CS..EExtended strand (participates in β ladder)trans-133132.3174.2-170.20000109.1L166 Y167 V171 I191 A194 K200 I201 G202V119-L166 CarbonylContact C-O 3.5Å; V119-L166 WeakPolarHBondContact CA-O 3.46Å; V119-Y167 HydrophobicContact CB-CD1 4.26Å; V119-Y167 HydrophobicContact CB-CE1 4.22Å; V119-Y167 HydrophobicContact CG1-CD1 3.92Å; V119-Y167 HydrophobicContact CG1-CE1 3.57Å; V119-Y167 HydrophobicContact CG2-CD1 3.59Å; V119-Y167 HydrophobicContact CG2-CE1 3.6Å; V119-V171 HydrophobicContact CG2-CG1 4.03Å; V119-I191 HydrophobicContact CG1-CD1 4.16Å; V119-A194 HydrophobicContact CG2-CB 4.25Å; V119-K200 PolarHBondContact N-O 2.91Å; V119-K200 VanDerWaalsContact N-O 3.14Å; V119-I201 HydrophobicContact CB-CG1 4.41Å; V119-I201 CarbonylContact O-C 3.57Å; V119-I201 WeakPolarHBondContact O-CA 3.49Å; V119-G202 PolarHBondContact O-N 2.99Å
120V98.4Very high93.9Very high0 Ų050.8 Ų50.80%027%0.269CS..EExtended strand (participates in β ladder)trans-115.9123.1164.1179.40000108.3F108 L111 Q112 Y117 R165 L166 G202 V204F108-V120 HydrophobicContact CB-CG1 4.05Å; F108-V120 HydrophobicContact CD1-CG1 4.23Å; F108-V120 HydrophobicContact CD2-CG1 4.26Å; F108-V120 HydrophobicContact CG-CG1 3.91Å; L111-V120 HydrophobicContact CD2-CG1 3.97Å; Q112-V120 HydrophobicContact CB-CG2 3.85Å; Q112-V120 HydrophobicContact CG-CG2 4.5Å; Y117-V120 HydrophobicContact CD2-CG2 4.18Å; Y117-V120 HydrophobicContact CG-CG2 4.33Å; V120-R165 CarbonylContact O-C 3.58Å; V120-R165 VanDerWaalsContact O-CA 3.28Å; V120-R165 WeakPolarHBondContact O-CA 3.43Å; V120-L166 HydrophobicContact CB-CB 4.33Å; V120-L166 PolarHBondContact N-O 3.18Å; V120-L166 PolarHBondContact O-N 3.03Å; V120-G202 CarbonylContact C-O 3.53Å; V120-G202 WeakPolarHBondContact CA-O 3.34Å; V120-V204 HydrophobicContact CG1-CG2 3.86Å
121T97.2Very high93.2Very high0 Ų046.7 Ų46.70%025%0.254CS..EExtended strand (participates in β ladder)trans-112.8144-179.8-170.80000111.5A157 I201 G202 E203 V204T121-A157 HydrophobicContact CG2-CB 4.35Å; T121-I201 HydrophobicContact CG2-CG2 4.28Å; T121-G202 PolarHBondContact N-O 3.43Å; T121-E203 HydrophobicContact CG2-CG 3.89Å; T121-E203 WeakPolarHBondContact O-CA 3.15Å; T121-V204 PolarHBondContact O-N 3.42Å
122G96.2Very high92.4Very high2 Ų248.1 Ų48.12%0.02127%0.267CS..EExtended strand (participates in β ladder)trans-71135.7164.600000110.2F108 F164 V204F108-G122 VanDerWaalsContact CZ-N 3.34Å; G122-F164 PolarHBondContact N-O 3.47Å; G122-V204 CarbonylContact C-O 3.54Å; G122-V204 WeakPolarHBondContact CA-O 3.38Å
123T94.6Very high91.6Very high1 Ų150.8 Ų50.81%0.00630%0.296CS..EExtended strand (participates in β ladder)trans-122.2135.7171.3176.70000111.3Y125 A126 S158 E203 V204 G205 I206T123-Y125 VanDerWaalsContact C-N 3.29Å; T123-Y125 PolarHBondContact OG1-N 3.26Å; T123-A126 HydrophobicContact CG2-CB 3.6Å; T123-S158 WeakPolarHBondContact CB-OG 3.39Å; T123-S158 PolarHBondContact OG1-OG 2.65Å; T123-E203 HydrophobicContact CG2-CB 3.84Å; T123-V204 PolarHBondContact N-O 2.98Å; T123-G205 WeakPolarHBondContact O-CA 3.37Å; T123-I206 PolarHBondContact O-N 2.95Å
124R90.8Very high90.7Very high17 Ų1746.2 Ų46.26%0.06428%0.276CS..SBendtrans-82.9-8.8171.5-67.6163.1-70.5-170.92.1112.8G129 G130 V131 W134 D159 T161 F208R124-G129 CarbonylContact O-C 3.57Å; R124-G130 WeakPolarHBondContact O-CA 3.49Å; R124-G130 PolarHBondContact O-N 2.86Å; R124-V131 HydrophobicContact CB-CG1 4.08Å; R124-V131 HydrophobicContact CG-CG1 3.94Å; R124-W134 VanDerWaalsContact NH1-CH2 3.34Å; R124-D159 IonicContact CZ-OD1 3.14Å; R124-D159 IonicContact CZ-OD2 2.65Å; R124-D159 PolarHBondContact N-OD2 3.28Å; R124-D159 VanDerWaalsContact N-OD2 3.11Å; R124-D159 IonicContact NE-OD1 3.12Å; R124-D159 IonicContact NE-OD2 3.07Å; R124-D159 PolarHBondContact NE-OD2 3.44Å; R124-D159 VanDerWaalsContact NH2-CG 3.28Å; R124-D159 IonicContact NH2-OD1 3.24Å; R124-D159 PolarHBondContact NH2-OD1 3.3Å; R124-D159 IonicContact NH2-OD2 3.94Å; R124-D159 PolarHBondContact NH2-OD2 3.47Å; R124-D159 VanDerWaalsContact NH2-OD2 3.09Å; R124-T161 PolarHBondContact NH2-OG1 3.47Å; R124-F208 HydrophobicContact CG-CB 3.78Å
125Y86.6Confident89.9Confident74 Ų7444.9 Ų44.929%0.2927%0.273SS..SBendtrans-107.7-4.3-168.4-54.5-64.9000114.3T123 S142 R143 N146 S158 D159T123-Y125 VanDerWaalsContact C-N 3.29Å; T123-Y125 PolarHBondContact OG1-N 3.26Å; Y125-S142 PolarHBondContact OH-O 2.87Å; Y125-S142 PolarHBondContact OH-OG 3.04Å; Y125-R143 HydrophobicContact CE1-CB 4.47Å; Y125-N146 HydrophobicContact CE2-CB 4.03Å; Y125-N146 WeakPolarHBondContact CE2-ND2 3.43Å; Y125-N146 PolarHBondContact OH-ND2 3.25Å; Y125-S158 WeakPolarHBondContact CD2-O 3.38Å; Y125-D159 HydrophobicContact CD2-CB 3.92Å; Y125-D159 HydrophobicContact CE2-CB 4.08Å
126A86.4Confident89.1Confident33 Ų3347.7 Ų47.727%0.27329%0.29SS..SBendtrans-64.5157.4165.900000110.9T123 N128 G129T123-A126 HydrophobicContact CG2-CB 3.6Å; A126-N128 WeakPolarHBondContact CB-OD1 3.32Å; A126-N128 PolarHBondContact O-N 2.89Å; A126-N128 VanDerWaalsContact O-N 3.16Å; A126-G129 WeakPolarHBondContact O-CA 3.07Å; A126-G129 PolarHBondContact O-N 3.05Å
127S82.3Confident88.3Confident134 Ų13451 Ų5194%0.93730%0.301SS*.THydrogen-bonded Turntrans-59.9-26.9-17953.90000114.1
128N85.3Confident87.4Confident115 Ų11550.9 Ų50.962%0.61530%0.3SS*.THydrogen-bonded Turntrans-1006.4173.965.3-22.7000113.5A126 G205A126-N128 WeakPolarHBondContact CB-OD1 3.32Å; A126-N128 PolarHBondContact O-N 2.89Å; A126-N128 VanDerWaalsContact O-N 3.16Å; N128-G205 WeakPolarHBondContact OD1-CA 3.49Å
129G86.8Confident86.6Confident22 Ų2253.8 Ų53.823%0.22731%0.311CS..  trans-95174173.700000112.3R124 A126 I206R124-G129 CarbonylContact O-C 3.57Å; A126-G129 WeakPolarHBondContact O-CA 3.07Å; A126-G129 PolarHBondContact O-N 3.05Å; G129-I206 CarbonylContact C-O 3.57Å; G129-I206 VanDerWaalsContact CA-O 3.29Å; G129-I206 WeakPolarHBondContact CA-O 3.3Å
130G86.9Confident85.8Confident21 Ų2159.2 Ų59.222%0.21634%0.34CS..EExtended strand (participates in β ladder)trans172-177.8171.500000114.8R124 I206 T207 F208R124-G130 WeakPolarHBondContact O-CA 3.49Å; R124-G130 PolarHBondContact O-N 2.86Å; G130-I206 PolarHBondContact N-O 2.89Å; G130-T207 WeakPolarHBondContact O-CA 3.44Å; G130-F208 PolarHBondContact O-N 2.9Å
131V82.3Confident84.9Confident37 Ų3762.9 Ų62.922%0.22436%0.358CS..EExtended strand (participates in β ladder)trans-125.4138.5174.7-57.90000110.4R124 W134 K139 F208R124-V131 HydrophobicContact CB-CG1 4.08Å; R124-V131 HydrophobicContact CG-CG1 3.94Å; V131-W134 HydrophobicContact CB-CD2 3.89Å; V131-W134 HydrophobicContact CB-CE3 4.11Å; V131-W134 HydrophobicContact CB-CG 4.09Å; V131-W134 HydrophobicContact CG1-CD2 4.1Å; V131-W134 HydrophobicContact CG1-CE3 3.99Å; V131-W134 HydrophobicContact CG1-CH2 4.33Å; V131-W134 HydrophobicContact CG1-CZ2 4.41Å; V131-W134 HydrophobicContact CG1-CZ3 4.1Å; V131-W134 HydrophobicContact CG2-CB 4.03Å; V131-W134 HydrophobicContact CG2-CD2 3.95Å; V131-W134 HydrophobicContact CG2-CE3 3.87Å; V131-W134 HydrophobicContact CG2-CG 4.03Å; V131-K139 HydrophobicContact CG2-CD 4.23Å; V131-K139 HydrophobicContact CG2-CG 3.82Å; V131-F208 CarbonylContact C-O 3.57Å; V131-F208 WeakPolarHBondContact CA-O 3.31Å; V131-F208 HydrophobicContact CG1-CB 4.3Å
132S82.3Confident84Confident65 Ų6563.6 Ų63.646%0.45536%0.363SS..EExtended strand (participates in β ladder)trans-118142.6174-169.10000110.6W134 F208 D210S132-W134 VanDerWaalsContact C-N 3.32Å; S132-W134 PolarHBondContact O-N 2.72Å; S132-F208 PolarHBondContact N-O 3.3Å; S132-D210 PolarHBondContact O-N 3.44Å
133G81Confident83.2Confident63 Ų6372.1 Ų72.165%0.64940%0.395SS*.SBendtrans86.7-12.4-178.300000115.5
134W78.8Confident82.5Confident15 Ų1575.2 Ų75.26%0.05741%0.414CS..  trans-80.5135.7-177-68.916.1000113.1R124 V131 S132 R138 K139 F208 D210R124-W134 VanDerWaalsContact NH1-CH2 3.34Å; V131-W134 HydrophobicContact CB-CD2 3.89Å; V131-W134 HydrophobicContact CB-CE3 4.11Å; V131-W134 HydrophobicContact CB-CG 4.09Å; V131-W134 HydrophobicContact CG1-CD2 4.1Å; V131-W134 HydrophobicContact CG1-CE3 3.99Å; V131-W134 HydrophobicContact CG1-CH2 4.33Å; V131-W134 HydrophobicContact CG1-CZ2 4.41Å; V131-W134 HydrophobicContact CG1-CZ3 4.1Å; V131-W134 HydrophobicContact CG2-CB 4.03Å; V131-W134 HydrophobicContact CG2-CD2 3.95Å; V131-W134 HydrophobicContact CG2-CE3 3.87Å; V131-W134 HydrophobicContact CG2-CG 4.03Å; S132-W134 VanDerWaalsContact C-N 3.32Å; S132-W134 PolarHBondContact O-N 2.72Å; W134-R138 HydrophobicContact CD2-CG 3.95Å; W134-R138 VanDerWaalsContact CE2-CZ 3.4Å; W134-R138 HydrophobicContact CE3-CB 4.35Å; W134-R138 HydrophobicContact CE3-CG 3.69Å; W134-R138 HydrophobicContact CG-CG 4.44Å; W134-R138 HydrophobicContact CZ3-CG 4.02Å; W134-R138 VanDerWaalsContact NE1-CZ 3.32Å; W134-K139 HydrophobicContact CB-CG 3.95Å; W134-K139 HydrophobicContact CE3-CG 4.3Å; W134-K139 WeakPolarHBondContact O-CE 3.15Å; W134-K139 PolarHBondContact O-NZ 3.13Å; W134-F208 AromaticContact CE2-CD1 3.9Å; W134-F208 AromaticContact CZ2-CD1 3.67Å; W134-F208 HydrophobicContact CZ2-CD1 3.67Å; W134-F208 AromaticContact CZ2-CE1 3.63Å; W134-F208 HydrophobicContact CZ2-CE1 3.63Å; W134-F208 HydrophobicContact CZ2-CZ 4.5Å; W134-F208 AromaticContact NE1-CD1 3.79Å; W134-F208 AromaticContact NE1-CE1 3.8Å; W134-D210 VanDerWaalsContact CD1-CG 3.49Å; W134-D210 VanDerWaalsContact CD1-OD1 3.29Å; W134-D210 VanDerWaalsContact CD1-OD2 3.26Å; W134-D210 PolarHBondContact NE1-OD1 3.43Å
135D81.2Confident81.9Confident97 Ų9775.6 Ų75.652%0.51942%0.421SS..  trans-65162.8166.57313.4000111.8K137 R138 K139D135-K137 PolarHBondContact O-N 3.36Å; D135-K137 PolarHBondContact OD1-N 2.95Å; D135-R138 PolarHBondContact O-N 2.63Å; D135-R138 WeakPolarHBondContact OD1-CB 3.46Å; D135-R138 PolarHBondContact OD1-N 2.88Å; D135-K139 WeakPolarHBondContact O-CG 3.42Å; D135-K139 PolarHBondContact O-N 2.89Å; D135-K139 VanDerWaalsContact O-N 3.16Å
136L80.7Confident81.5Confident144 Ų14472.2 Ų72.275%0.75441%0.408SS*.Hα-helixtrans-62.9-32.5-179.4-68.8175.3000112.2K139 L140L136-K139 HydrophobicContact CD2-CD 4.48Å; L136-K139 PolarHBondContact O-N 3.3Å; L136-L140 WeakPolarHBondContact O-CB 3.4Å; L136-L140 PolarHBondContact O-N 3Å
137K81.4Confident81.2Confident151 Ų15178 Ų7866%0.65742%0.424SS*.Hα-helixtrans-64.8-49.1-179.4-176.5-179.1177.4-177.40111.2D135 L140 I141D135-K137 PolarHBondContact O-N 3.36Å; D135-K137 PolarHBondContact OD1-N 2.95Å; K137-L140 PolarHBondContact O-N 3.11Å; K137-I141 HydrophobicContact CG-CD1 3.93Å; K137-I141 WeakPolarHBondContact O-CG1 3.29Å; K137-I141 PolarHBondContact O-N 3.2Å
138R80.3Confident81.2Confident53 Ų5375.3 Ų75.320%0.240%0.398CS..Hα-helixtrans-65.4-39177.9-172.9176.7176.7-173-8.1111.4W134 D135 L140 S142 D210W134-R138 HydrophobicContact CD2-CG 3.95Å; W134-R138 VanDerWaalsContact CE2-CZ 3.4Å; W134-R138 HydrophobicContact CE3-CB 4.35Å; W134-R138 HydrophobicContact CE3-CG 3.69Å; W134-R138 HydrophobicContact CG-CG 4.44Å; W134-R138 HydrophobicContact CZ3-CG 4.02Å; W134-R138 VanDerWaalsContact NE1-CZ 3.32Å; D135-R138 PolarHBondContact O-N 2.63Å; D135-R138 WeakPolarHBondContact OD1-CB 3.46Å; D135-R138 PolarHBondContact OD1-N 2.88Å; R138-L140 VanDerWaalsContact C-N 3.34Å; R138-L140 PolarHBondContact O-N 3.09Å; R138-S142 WeakPolarHBondContact O-CB 3.32Å; R138-S142 PolarHBondContact O-N 2.8Å; R138-D210 IonicContact CZ-OD1 3.01Å; R138-D210 VanDerWaalsContact CZ-OD1 3.24Å; R138-D210 VanDerWaalsContact NH1-CG 3.34Å; R138-D210 IonicContact NH1-OD1 2.81Å; R138-D210 PolarHBondContact NH1-OD1 2.84Å; R138-D210 IonicContact NH1-OD2 2.66Å; R138-D210 PolarHBondContact NH1-OD2 2.94Å; R138-D210 IonicContact NH2-OD1 2.83Å; R138-D210 PolarHBondContact NH2-OD1 2.81Å; R138-D210 VanDerWaalsContact NH2-OD1 3.12Å
139K80.8Confident80.8Confident86 Ų8669.9 Ų69.937%0.37437%0.369SS..Hα-helixtrans-57.4-47.3171.9-74.1172.9179.7170.20111.2V131 W134 D135 L136 R143V131-K139 HydrophobicContact CG2-CD 4.23Å; V131-K139 HydrophobicContact CG2-CG 3.82Å; W134-K139 HydrophobicContact CB-CG 3.95Å; W134-K139 HydrophobicContact CE3-CG 4.3Å; W134-K139 WeakPolarHBondContact O-CE 3.15Å; W134-K139 PolarHBondContact O-NZ 3.13Å; D135-K139 WeakPolarHBondContact O-CG 3.42Å; D135-K139 PolarHBondContact O-N 2.89Å; D135-K139 VanDerWaalsContact O-N 3.16Å; L136-K139 HydrophobicContact CD2-CD 4.48Å; L136-K139 PolarHBondContact O-N 3.3Å; K139-R143 VanDerWaalsContact O-CB 3.3Å; K139-R143 WeakPolarHBondContact O-CB 3.29Å; K139-R143 PolarHBondContact O-N 2.74Å
140L80.7Confident80.5Confident114 Ų11472 Ų7260%0.59737%0.373SS*.Hα-helixtrans-66.5-49.3179.9-174.462.1000112L136 K137 R138 S142 R143 T144L136-L140 WeakPolarHBondContact O-CB 3.4Å; L136-L140 PolarHBondContact O-N 3Å; K137-L140 PolarHBondContact O-N 3.11Å; R138-L140 VanDerWaalsContact C-N 3.34Å; R138-L140 PolarHBondContact O-N 3.09Å; L140-S142 VanDerWaalsContact C-N 3.31Å; L140-S142 PolarHBondContact O-N 2.74Å; L140-R143 PolarHBondContact O-N 3.48Å; L140-T144 WeakPolarHBondContact O-CB 3.23Å; L140-T144 PolarHBondContact O-N 2.99Å; L140-T144 PolarHBondContact O-OG1 2.69Å
141I80.5Confident80.1Confident76 Ų7674.8 Ų74.839%0.3939%0.385SS..Hα-helixtrans-55.7-48.2178.3-69.8167.8000110.5K137 T144 A145K137-I141 HydrophobicContact CG-CD1 3.93Å; K137-I141 WeakPolarHBondContact O-CG1 3.29Å; K137-I141 PolarHBondContact O-N 3.2Å; I141-T144 PolarHBondContact O-N 3.43Å; I141-A145 VanDerWaalsContact O-CB 3.31Å; I141-A145 WeakPolarHBondContact O-CB 3.4Å; I141-A145 PolarHBondContact O-N 2.68Å
142S77.9Confident79.8Confident15 Ų1575.5 Ų75.511%0.10539%0.387CS..Hα-helixtrans-65.6-41.8-178.3-173.30000112.3Y125 R138 L140 N146Y125-S142 PolarHBondContact OH-O 2.87Å; Y125-S142 PolarHBondContact OH-OG 3.04Å; R138-S142 WeakPolarHBondContact O-CB 3.32Å; R138-S142 PolarHBondContact O-N 2.8Å; L140-S142 VanDerWaalsContact C-N 3.31Å; L140-S142 PolarHBondContact O-N 2.74Å; S142-N146 PolarHBondContact O-N 2.8Å; S142-N146 PolarHBondContact O-ND2 3.01Å
143R79.7Confident79.6Confident182 Ų18273.5 Ų73.569%0.68737%0.372SS*.Hα-helixtrans-66.6-41.8177.6-169.5172.1-176.6164.11111.8Y125 K139 L140 Y147Y125-R143 HydrophobicContact CE1-CB 4.47Å; K139-R143 VanDerWaalsContact O-CB 3.3Å; K139-R143 WeakPolarHBondContact O-CB 3.29Å; K139-R143 PolarHBondContact O-N 2.74Å; L140-R143 PolarHBondContact O-N 3.48Å; R143-Y147 WeakPolarHBondContact O-CB 3.32Å; R143-Y147 PolarHBondContact O-N 3.49Å
144T80.3Confident79.4Confident66 Ų6680.5 Ų80.541%0.40538%0.378SS..Hα-helixtrans-66.3-44.5176.9-58.90000111.5L140 I141 N146 Y147 I148L140-T144 WeakPolarHBondContact O-CB 3.23Å; L140-T144 PolarHBondContact O-N 2.99Å; L140-T144 PolarHBondContact O-OG1 2.69Å; I141-T144 PolarHBondContact O-N 3.43Å; T144-N146 VanDerWaalsContact C-N 3.34Å; T144-N146 PolarHBondContact O-N 3.33Å; T144-Y147 PolarHBondContact O-N 2.96Å; T144-I148 HydrophobicContact CG2-CD1 3.86Å; T144-I148 HydrophobicContact CG2-CG1 4.38Å; T144-I148 VanDerWaalsContact O-CG1 3.31Å; T144-I148 WeakPolarHBondContact O-CG1 3.44Å; T144-I148 PolarHBondContact O-N 3.23Å
145A77.5Confident79.3Confident25 Ų2580.5 Ų80.521%0.20738%0.38CS..Hα-helixtrans-60.3-43.2177.300000112I141 A149 Y226I141-A145 VanDerWaalsContact O-CB 3.31Å; I141-A145 WeakPolarHBondContact O-CB 3.4Å; I141-A145 PolarHBondContact O-N 2.68Å; A145-A149 VanDerWaalsContact O-CB 3.31Å; A145-A149 WeakPolarHBondContact O-CB 3.26Å; A145-A149 PolarHBondContact O-N 2.96Å; A145-Y226 HydrophobicContact CB-CE1 4.18Å
146N78.2Confident79.4Confident3 Ų382.5 Ų82.52%0.01639%0.385CS..Hα-helixtrans-66.4-41.5174.9-84.5-76.4000112.1Y125 S142 T144 A149 Q150 L160 T161Y125-N146 HydrophobicContact CE2-CB 4.03Å; Y125-N146 WeakPolarHBondContact CE2-ND2 3.43Å; Y125-N146 PolarHBondContact OH-ND2 3.25Å; S142-N146 PolarHBondContact O-N 2.8Å; S142-N146 PolarHBondContact O-ND2 3.01Å; T144-N146 VanDerWaalsContact C-N 3.34Å; T144-N146 PolarHBondContact O-N 3.33Å; N146-A149 PolarHBondContact O-N 3.47Å; N146-Q150 WeakPolarHBondContact O-CB 3.38Å; N146-Q150 VanDerWaalsContact O-CG 3.25Å; N146-Q150 WeakPolarHBondContact O-CG 3.48Å; N146-Q150 PolarHBondContact O-N 3.07Å; N146-L160 PolarHBondContact OD1-N 2.92Å; N146-T161 PolarHBondContact ND2-OG1 3.35Å; N146-T161 VanDerWaalsContact ND2-OG1 3.13Å
147Y80.7Confident79.8Confident155 Ų15576 Ų7661%0.60835%0.351SS*.Hα-helixtrans-60.9-47177.1179-101.9000112.3R143 T144 A149 Q150 V151R143-Y147 WeakPolarHBondContact O-CB 3.32Å; R143-Y147 PolarHBondContact O-N 3.49Å; T144-Y147 PolarHBondContact O-N 2.96Å; Y147-A149 VanDerWaalsContact C-N 3.33Å; Y147-A149 PolarHBondContact O-N 2.89Å; Y147-Q150 PolarHBondContact O-N 3Å; Y147-V151 HydrophobicContact CD1-CG2 4.49Å; Y147-V151 HydrophobicContact CE1-CG2 4.08Å; Y147-V151 HydrophobicContact CE2-CG2 4.18Å; Y147-V151 WeakPolarHBondContact O-CG2 3.32Å; Y147-V151 PolarHBondContact O-N 3.22Å
148I81.4Confident80.1Confident77 Ų7769.9 Ų69.940%0.39533%0.327SS..Hα-helixtrans-61.3-45.5177.4-63.7168.8000110T144 Q150 V151 L152 L230T144-I148 HydrophobicContact CG2-CD1 3.86Å; T144-I148 HydrophobicContact CG2-CG1 4.38Å; T144-I148 VanDerWaalsContact O-CG1 3.31Å; T144-I148 WeakPolarHBondContact O-CG1 3.44Å; T144-I148 PolarHBondContact O-N 3.23Å; I148-Q150 VanDerWaalsContact C-N 3.34Å; I148-Q150 PolarHBondContact O-N 3.35Å; I148-V151 PolarHBondContact O-N 2.98Å; I148-L152 HydrophobicContact CG2-CD1 3.74Å; I148-L152 HydrophobicContact CG2-CG 4.25Å; I148-L152 WeakPolarHBondContact O-CB 3.48Å; I148-L152 WeakPolarHBondContact O-CG 3.49Å; I148-L152 PolarHBondContact O-N 2.9Å; I148-L230 HydrophobicContact CG2-CD2 3.87Å
149A77Confident80.5Confident0 Ų067.4 Ų67.40%032%0.318CS..Hα-helixtrans-66.5-35-179.900000112.9A145 N146 Y147 L153 L160 M188 L230A145-A149 VanDerWaalsContact O-CB 3.31Å; A145-A149 WeakPolarHBondContact O-CB 3.26Å; A145-A149 PolarHBondContact O-N 2.96Å; N146-A149 PolarHBondContact O-N 3.47Å; Y147-A149 VanDerWaalsContact C-N 3.33Å; Y147-A149 PolarHBondContact O-N 2.89Å; A149-L153 VanDerWaalsContact O-CB 3.3Å; A149-L153 WeakPolarHBondContact O-CB 3.44Å; A149-L153 PolarHBondContact O-N 3.25Å; A149-L160 HydrophobicContact CB-CD1 3.46Å; A149-L160 VanDerWaalsContact CB-CD1 3.46Å; A149-M188 HydrophobicContact CB-SD 4.45Å; A149-L230 HydrophobicContact CB-CD1 3.73Å; A149-L230 HydrophobicContact CB-CD2 4.05Å
150Q80.8Confident80.7Confident68 Ų6863.3 Ų63.332%0.31830%0.3SS..Hα-helixtrans-62.8-44.3171.9-76.9173.716.200112N146 Y147 I148 R154 S158N146-Q150 WeakPolarHBondContact O-CB 3.38Å; N146-Q150 VanDerWaalsContact O-CG 3.25Å; N146-Q150 WeakPolarHBondContact O-CG 3.48Å; N146-Q150 PolarHBondContact O-N 3.07Å; Y147-Q150 PolarHBondContact O-N 3Å; I148-Q150 VanDerWaalsContact C-N 3.34Å; I148-Q150 PolarHBondContact O-N 3.35Å; Q150-R154 WeakPolarHBondContact O-CA 3.44Å; Q150-R154 PolarHBondContact O-N 3.16Å; Q150-S158 PolarHBondContact NE2-O 2.67Å
151V77.8Confident80.8Confident78 Ų7859.8 Ų59.847%0.47328%0.284SS..Hα-helixtrans-66.9-45.4-179.51710000111.3Y147 I148Y147-V151 HydrophobicContact CD1-CG2 4.49Å; Y147-V151 HydrophobicContact CE1-CG2 4.08Å; Y147-V151 HydrophobicContact CE2-CG2 4.18Å; Y147-V151 WeakPolarHBondContact O-CG2 3.32Å; Y147-V151 PolarHBondContact O-N 3.22Å; I148-V151 PolarHBondContact O-N 2.98Å
152L76.2Confident81Confident52 Ų5256.3 Ų56.327%0.27227%0.267SS..Hα-helixtrans-73.5-46.7-176.3-69179.8000112.2I148 L230 F234I148-L152 HydrophobicContact CG2-CD1 3.74Å; I148-L152 HydrophobicContact CG2-CG 4.25Å; I148-L152 WeakPolarHBondContact O-CB 3.48Å; I148-L152 WeakPolarHBondContact O-CG 3.49Å; I148-L152 PolarHBondContact O-N 2.9Å; L152-L230 HydrophobicContact CB-CD1 4.35Å; L152-L230 HydrophobicContact CD1-CD1 4.22Å; L152-L230 HydrophobicContact CD1-CD2 4.2Å; L152-L230 HydrophobicContact CD1-CG 4.09Å; L152-F234 HydrophobicContact CB-CD2 3.73Å; L152-F234 HydrophobicContact CB-CE2 4.27Å; L152-F234 HydrophobicContact CB-CG 4.29Å; L152-F234 HydrophobicContact CD2-CD2 3.96Å; L152-F234 HydrophobicContact CD2-CE2 3.84Å; L152-F234 HydrophobicContact CD2-CG 4.34Å; L152-F234 HydrophobicContact CD2-CZ 4.13Å; L152-F234 HydrophobicContact CG-CD2 4.36Å; L152-F234 VanDerWaalsContact O-CD2 3.31Å; L152-F234 WeakPolarHBondContact O-CD2 3.35Å
153L78.4Confident81.5Confident24 Ų2456 Ų5613%0.12627%0.265CS..Hα-helixtrans-97.7-12.6-170.3-52.1-177.8000113.3A149 P155 M188 V192 L230 L233 F234A149-L153 VanDerWaalsContact O-CB 3.3Å; A149-L153 WeakPolarHBondContact O-CB 3.44Å; A149-L153 PolarHBondContact O-N 3.25Å; L153-P155 VanDerWaalsContact C-N 3.28Å; L153-M188 HydrophobicContact CD1-CG 4.3Å; L153-M188 HydrophobicContact CD1-SD 4.13Å; L153-V192 HydrophobicContact CB-CG1 4.45Å; L153-V192 HydrophobicContact CB-CG2 4.19Å; L153-V192 HydrophobicContact CD1-CB 4.44Å; L153-V192 HydrophobicContact CD1-CG1 4.28Å; L153-V192 HydrophobicContact CD1-CG2 3.35Å; L153-V192 HydrophobicContact CG-CG2 4.37Å; L153-L230 HydrophobicContact CD1-CD1 3.5Å; L153-L230 VanDerWaalsContact CD1-CD1 3.5Å; L153-L230 HydrophobicContact CD2-CD1 4.06Å; L153-L230 HydrophobicContact CG-CD1 3.61Å; L153-L233 HydrophobicContact CD1-CB 4.25Å; L153-L233 HydrophobicContact CD1-CD1 4.29Å; L153-L233 HydrophobicContact CD2-CB 3.98Å; L153-F234 HydrophobicContact CD2-CB 3.9Å
154R77.3Confident82.3Confident209 Ų20947.4 Ų47.479%0.78923%0.232SC*.  trans42.446.6-175.4-59.7-179.1178.4164.5-1.4114.3Q150Q150-R154 WeakPolarHBondContact O-CA 3.44Å; Q150-R154 PolarHBondContact O-N 3.16Å
155P76.1Confident83.1Confident15 Ų1544.2 Ų44.210%0.09721%0.213CC..  trans-72.7149.118030.8-26.4000110.2L153 A157 L160 I191L153-P155 VanDerWaalsContact C-N 3.28Å; P155-A157 PolarHBondContact O-N 2.83Å; P155-L160 HydrophobicContact CB-CD2 3.95Å; P155-L160 HydrophobicContact CG-CD1 3.7Å; P155-L160 HydrophobicContact CG-CD2 3.65Å; P155-L160 HydrophobicContact CG-CG 4.13Å; P155-I191 HydrophobicContact CB-CG2 4.19Å
156K83.5Confident84.1Confident140 Ų14043 Ų4361%0.60920%0.203SC*.SBendtrans-76.234.2173.7-63.3177.4-177.7171.70113.2S195K156-S195 PolarHBondContact N-OG 2.66Å
157A89.1Confident85.1Confident6 Ų642.9 Ų42.95%0.0520%0.202CC..  trans-144.6142.7178.900000110.3T121 P155 L160 I191 I201T121-A157 HydrophobicContact CG2-CB 4.35Å; P155-A157 PolarHBondContact O-N 2.83Å; A157-L160 HydrophobicContact CB-CD2 4.43Å; A157-I191 HydrophobicContact CB-CG2 3.65Å; A157-I201 HydrophobicContact CB-CG2 4.26Å
158S87.4Confident85.9Confident23 Ų2337.5 Ų37.516%0.16118%0.182CC..SBendtrans-85.7-24.3-17960.50000113.2T123 Y125 Q150 E203T123-S158 WeakPolarHBondContact CB-OG 3.39Å; T123-S158 PolarHBondContact OG1-OG 2.65Å; Y125-S158 WeakPolarHBondContact CD2-O 3.38Å; Q150-S158 PolarHBondContact NE2-O 2.67Å; S158-E203 WeakPolarHBondContact CB-OE2 3.23Å; S158-E203 VanDerWaalsContact N-CD 3.3Å; S158-E203 PolarHBondContact N-OE1 2.93Å; S158-E203 PolarHBondContact N-OE2 2.97Å; S158-E203 PolarHBondContact OG-OE1 3.41Å; S158-E203 PolarHBondContact OG-OE2 2.81Å
159D88.6Confident86.7Confident1 Ų136.8 Ų36.81%0.00518%0.176CC..  trans-119.9105.6-178.4-163.1-22.6000112.5R124 Y125 T161 G162R124-D159 IonicContact CZ-OD1 3.14Å; R124-D159 IonicContact CZ-OD2 2.65Å; R124-D159 PolarHBondContact N-OD2 3.28Å; R124-D159 VanDerWaalsContact N-OD2 3.11Å; R124-D159 IonicContact NE-OD1 3.12Å; R124-D159 IonicContact NE-OD2 3.07Å; R124-D159 PolarHBondContact NE-OD2 3.44Å; R124-D159 VanDerWaalsContact NH2-CG 3.28Å; R124-D159 IonicContact NH2-OD1 3.24Å; R124-D159 PolarHBondContact NH2-OD1 3.3Å; R124-D159 IonicContact NH2-OD2 3.94Å; R124-D159 PolarHBondContact NH2-OD2 3.47Å; R124-D159 VanDerWaalsContact NH2-OD2 3.09Å; Y125-D159 HydrophobicContact CD2-CB 3.92Å; Y125-D159 HydrophobicContact CE2-CB 4.08Å; D159-T161 PolarHBondContact OD1-N 3.36Å; D159-T161 PolarHBondContact OD1-OG1 3.14Å; D159-G162 PolarHBondContact OD1-N 3.02Å
160L85.7Confident87.6Confident0 Ų040.2 Ų40.20%020%0.204CC..SBendtrans-96.6-11.4-179.6-57.2178.5000113.5N146 A149 P155 A157 M188 I191N146-L160 PolarHBondContact OD1-N 2.92Å; A149-L160 HydrophobicContact CB-CD1 3.46Å; A149-L160 VanDerWaalsContact CB-CD1 3.46Å; P155-L160 HydrophobicContact CB-CD2 3.95Å; P155-L160 HydrophobicContact CG-CD1 3.7Å; P155-L160 HydrophobicContact CG-CD2 3.65Å; P155-L160 HydrophobicContact CG-CG 4.13Å; A157-L160 HydrophobicContact CB-CD2 4.43Å; L160-M188 HydrophobicContact CB-CB 4.46Å; L160-M188 HydrophobicContact CB-CG 4.26Å; L160-M188 HydrophobicContact CD1-CG 4.41Å; L160-M188 WeakPolarHBondContact O-CA 3.33Å; L160-I191 HydrophobicContact CD2-CB 3.93Å; L160-I191 HydrophobicContact CD2-CG2 3.4Å
161T83Confident88.5Confident40 Ų4037.4 Ų37.425%0.24519%0.191CC..SBendtrans-99.9-8.5-179.249.40000113R124 N146 D159 Y226R124-T161 PolarHBondContact NH2-OG1 3.47Å; N146-T161 PolarHBondContact ND2-OG1 3.35Å; N146-T161 VanDerWaalsContact ND2-OG1 3.13Å; D159-T161 PolarHBondContact OD1-N 3.36Å; D159-T161 PolarHBondContact OD1-OG1 3.14Å; T161-Y226 HydrophobicContact CG2-CD2 4.16Å; T161-Y226 HydrophobicContact CG2-CE1 4.32Å; T161-Y226 HydrophobicContact CG2-CE2 3.38Å; T161-Y226 VanDerWaalsContact CG2-CZ 3.46Å; T161-Y226 WeakPolarHBondContact CG2-OH 3.47Å
162G85.5Confident89.4Confident3 Ų333.7 Ų33.73%0.03117%0.169CC..  trans-76.3141.7171.400000112.8D159 R165D159-G162 PolarHBondContact OD1-N 3.02Å; G162-R165 VanDerWaalsContact O-CZ 3.31Å; G162-R165 PolarHBondContact O-NE 3.27Å; G162-R165 PolarHBondContact O-NH2 2.85Å
163S87.5Confident90.2Very high9 Ų936.7 Ų36.76%0.06318%0.182CC..  trans-103.8-16.1179.655.50000113.6I93 D95 H100 R165 Q187I93-S163 WeakPolarHBondContact CD1-O 3.39Å; I93-S163 WeakPolarHBondContact CG1-O 3.12Å; D95-S163 PolarHBondContact OD1-OG 3.33Å; D95-S163 PolarHBondContact OD2-OG 3.07Å; H100-S163 PolarHBondContact CE1-OG 3.16Å; S163-R165 PolarHBondContact O-N 2.89Å; S163-Q187 VanDerWaalsContact CB-NE2 3.3Å
164F95.9Very high91.1Very high1 Ų137.2 Ų37.20%0.00418%0.184CC..  trans-80.1108.8-174.8-178.9-156.6000112.4I92 I93 M94 H100 F104 I105 F108 G122 I206I92-F164 HydrophobicContact CG2-CD2 4.32Å; I92-F164 HydrophobicContact CG2-CE2 3.76Å; I93-F164 WeakPolarHBondContact O-CA 3.28Å; I93-F164 WeakPolarHBondContact O-CD2 3.42Å; M94-F164 HydrophobicContact CB-CD2 3.7Å; M94-F164 HydrophobicContact CB-CE2 4.11Å; M94-F164 HydrophobicContact CB-CG 4.39Å; M94-F164 HydrophobicContact SD-CE2 4.41Å; H100-F164 HydrophobicContact CB-CB 3.96Å; H100-F164 HydrophobicContact CB-CD1 3.78Å; H100-F164 HydrophobicContact CB-CE1 4.39Å; H100-F164 HydrophobicContact CB-CG 3.96Å; H100-F164 WeakPolarHBondContact CD2-CB 3.42Å; H100-F164 AromaticContact CD2-CD1 3.98Å; F104-F164 HydrophobicContact CB-CE1 3.95Å; F104-F164 HydrophobicContact CB-CZ 4.48Å; F104-F164 HydrophobicContact CD2-CE1 4.45Å; I105-F164 HydrophobicContact CG1-CE2 3.97Å; I105-F164 HydrophobicContact CG1-CZ 3.66Å; F108-F164 HydrophobicContact CD2-CE2 4.38Å; F108-F164 HydrophobicContact CE1-CE1 4.32Å; F108-F164 HydrophobicContact CE2-CD1 4.09Å; F108-F164 AromaticContact CE2-CD2 3.85Å; F108-F164 HydrophobicContact CE2-CD2 3.85Å; F108-F164 HydrophobicContact CE2-CE1 4.16Å; F108-F164 AromaticContact CE2-CE2 3.89Å; F108-F164 HydrophobicContact CE2-CE2 3.89Å; F108-F164 AromaticContact CE2-CG 3.95Å; F108-F164 HydrophobicContact CE2-CG 3.95Å; F108-F164 HydrophobicContact CE2-CZ 4.04Å; F108-F164 WeakPolarHBondContact CE2-O 3.28Å; F108-F164 AromaticContact CZ-CD1 3.71Å; F108-F164 HydrophobicContact CZ-CD1 3.71Å; F108-F164 HydrophobicContact CZ-CD2 4.31Å; F108-F164 AromaticContact CZ-CE1 3.79Å; F108-F164 HydrophobicContact CZ-CE1 3.79Å; F108-F164 HydrophobicContact CZ-CE2 4.36Å; F108-F164 AromaticContact CZ-CG 3.99Å; F108-F164 HydrophobicContact CZ-CG 3.99Å; F108-F164 HydrophobicContact CZ-CZ 4.11Å; G122-F164 PolarHBondContact N-O 3.47Å; F164-I206 HydrophobicContact CD1-CD1 4.19Å
165R97.5Very high91.9Very high0 Ų027.2 Ų27.20%015%0.147CC..EExtended strand (participates in β ladder)trans-147.7148.4-168.3-62.2177.7-173162.90.3111.8I92 I93 V120 G162 S163 Y167 Q187I92-R165 CarbonylContact C-O 3.51Å; I92-R165 VanDerWaalsContact CA-O 3.31Å; I92-R165 WeakPolarHBondContact CA-O 3.35Å; I93-R165 HydrophobicContact CD1-CB 4.43Å; I93-R165 HydrophobicContact CG1-CB 4.04Å; I93-R165 PolarHBondContact N-O 2.91Å; I93-R165 PolarHBondContact O-N 3.07Å; I93-R165 VanDerWaalsContact O-N 3.13Å; V120-R165 CarbonylContact O-C 3.58Å; V120-R165 VanDerWaalsContact O-CA 3.28Å; V120-R165 WeakPolarHBondContact O-CA 3.43Å; G162-R165 VanDerWaalsContact O-CZ 3.31Å; G162-R165 PolarHBondContact O-NE 3.27Å; G162-R165 PolarHBondContact O-NH2 2.85Å; S163-R165 PolarHBondContact O-N 2.89Å; R165-Y167 HydrophobicContact CB-CD2 4.01Å; R165-Y167 HydrophobicContact CB-CE2 3.39Å; R165-Y167 WeakPolarHBondContact CD-OH 3.47Å; R165-Y167 HydrophobicContact CG-CE2 4.25Å; R165-Y167 PolarHBondContact NH1-OH 2.85Å; R165-Y167 VanDerWaalsContact NH1-OH 3.14Å; R165-Q187 VanDerWaalsContact CZ-O 3.29Å; R165-Q187 PolarHBondContact NH1-O 3.33Å; R165-Q187 VanDerWaalsContact NH1-OE1 3.09Å; R165-Q187 PolarHBondContact NH2-O 3.05Å
166L98.6Very high92.7Very high0 Ų027 Ų270%015%0.145CC..EExtended strand (participates in β ladder)trans-106.7133.7165.4178.5158.3000108.5Y4 F90 I91 I92 F108 I109 Q112 V119 V120Y4-L166 HydrophobicContact CD1-CD1 4.46Å; Y4-L166 HydrophobicContact CE1-CD1 4.3Å; F90-L166 HydrophobicContact CD1-CD2 3.68Å; F90-L166 HydrophobicContact CE1-CD2 4.38Å; F90-L166 HydrophobicContact CG-CD2 4.47Å; I91-L166 CarbonylContact O-C 3.56Å; I91-L166 WeakPolarHBondContact O-CA 3.34Å; I92-L166 HydrophobicContact CD1-CD1 4.41Å; I92-L166 HydrophobicContact CG1-CB 4.09Å; I92-L166 HydrophobicContact CG1-CD1 4.06Å; I92-L166 HydrophobicContact CG1-CG 4.08Å; F108-L166 HydrophobicContact CB-CB 4.2Å; F108-L166 HydrophobicContact CB-CD1 4.11Å; F108-L166 HydrophobicContact CD2-CB 3.94Å; I109-L166 HydrophobicContact CG1-CD1 3.79Å; Q112-L166 HydrophobicContact CB-CD2 4.03Å; Q112-L166 HydrophobicContact CG-CD2 3.73Å; V119-L166 CarbonylContact C-O 3.5Å; V119-L166 WeakPolarHBondContact CA-O 3.46Å; V120-L166 HydrophobicContact CB-CB 4.33Å; V120-L166 PolarHBondContact N-O 3.18Å; V120-L166 PolarHBondContact O-N 3.03Å
167Y98.6Very high92.9Very high0 Ų024.5 Ų24.50%015%0.145CC..EExtended strand (participates in β ladder)trans-124.8147.2176.5-68.3-93.3000110.4F90 I91 I93 D118 V119 R165 V171 L172 L175 M190F90-Y167 CarbonylContact C-O 3.6Å; F90-Y167 VanDerWaalsContact CA-O 3.27Å; F90-Y167 WeakPolarHBondContact CA-O 3.42Å; I91-Y167 PolarHBondContact N-O 2.76Å; I91-Y167 PolarHBondContact O-N 2.93Å; I93-Y167 HydrophobicContact CD1-CE2 3.75Å; I93-Y167 HydrophobicContact CG1-CD2 4.38Å; I93-Y167 HydrophobicContact CG1-CE2 3.95Å; D118-Y167 WeakPolarHBondContact O-CA 3.25Å; V119-Y167 HydrophobicContact CB-CD1 4.26Å; V119-Y167 HydrophobicContact CB-CE1 4.22Å; V119-Y167 HydrophobicContact CG1-CD1 3.92Å; V119-Y167 HydrophobicContact CG1-CE1 3.57Å; V119-Y167 HydrophobicContact CG2-CD1 3.59Å; V119-Y167 HydrophobicContact CG2-CE1 3.6Å; R165-Y167 HydrophobicContact CB-CD2 4.01Å; R165-Y167 HydrophobicContact CB-CE2 3.39Å; R165-Y167 WeakPolarHBondContact CD-OH 3.47Å; R165-Y167 HydrophobicContact CG-CE2 4.25Å; R165-Y167 PolarHBondContact NH1-OH 2.85Å; R165-Y167 VanDerWaalsContact NH1-OH 3.14Å; Y167-V171 HydrophobicContact CD1-CG1 4.37Å; Y167-L172 HydrophobicContact CD1-CB 4.22Å; Y167-L172 HydrophobicContact CD1-CD1 4.18Å; Y167-L172 HydrophobicContact CD2-CB 4.47Å; Y167-L172 HydrophobicContact CD2-CD1 3.85Å; Y167-L172 HydrophobicContact CD2-CD2 4.38Å; Y167-L172 HydrophobicContact CD2-CG 4.46Å; Y167-L172 HydrophobicContact CE1-CD1 4.26Å; Y167-L172 HydrophobicContact CE2-CD1 3.9Å; Y167-L172 HydrophobicContact CG-CB 3.92Å; Y167-L172 HydrophobicContact CG-CD1 3.99Å; Y167-L172 HydrophobicContact CG-CG 4.38Å; Y167-L175 HydrophobicContact CD1-CD1 4.26Å; Y167-L175 HydrophobicContact CE1-CD1 3.8Å; Y167-M190 HydrophobicContact CE1-CE 4.31Å
168K98.5Very high93.1Very high42 Ų4230.1 Ų30.118%0.18317%0.165CC..EExtended strand (participates in β ladder)trans-59.6135.8151.5-71.2177.5-174.4168.10108.2F90 D116 Y117 D118 A170 V171 L172F90-K168 HydrophobicContact CD1-CG 4.09Å; F90-K168 HydrophobicContact CE1-CB 4.43Å; F90-K168 HydrophobicContact CE1-CG 3.49Å; F90-K168 VanDerWaalsContact CE1-CG 3.49Å; F90-K168 HydrophobicContact CZ-CG 4.24Å; D116-K168 VanDerWaalsContact CG-NZ 3.3Å; D116-K168 PolarHBondContact O-NZ 3.42Å; D116-K168 WeakPolarHBondContact OD1-CE 3.17Å; D116-K168 IonicContact OD1-NZ 2.9Å; D116-K168 PolarHBondContact OD1-NZ 3.07Å; D116-K168 IonicContact OD2-NZ 3.18Å; D116-K168 PolarHBondContact OD2-NZ 3.14Å; Y117-K168 WeakPolarHBondContact O-CE 3.36Å; D118-K168 PolarHBondContact O-N 3.4Å; D118-K168 WeakPolarHBondContact OD1-CD 3.15Å; D118-K168 WeakPolarHBondContact OD1-CE 3.46Å; D118-K168 IonicContact OD1-NZ 2.84Å; D118-K168 PolarHBondContact OD1-NZ 3.16Å; K168-A170 VanDerWaalsContact C-N 3.32Å; K168-A170 PolarHBondContact O-N 2.87Å; K168-V171 HydrophobicContact CB-CB 4.18Å; K168-V171 HydrophobicContact CB-CG2 3.77Å; K168-V171 HydrophobicContact CD-CG2 4.46Å; K168-V171 WeakPolarHBondContact O-CB 3.38Å; K168-V171 PolarHBondContact O-N 2.71Å; K168-L172 PolarHBondContact O-N 3.29Å
169K98Very high93.1Very high62 Ų6230 Ų3027%0.2717%0.165SC..Hα-helixtrans-55-45.6-174.9177.7173.5172.1-177.90113L83 A86 G88 D89 I91 V171 L172 Q173L83-K169 HydrophobicContact CD2-CG 4.3Å; A86-K169 PolarHBondContact O-NZ 2.81Å; G88-K169 VanDerWaalsContact O-CD 3.27Å; G88-K169 WeakPolarHBondContact O-CD 3.3Å; D89-K169 VanDerWaalsContact O-CB 3.26Å; D89-K169 WeakPolarHBondContact O-CB 3.46Å; D89-K169 PolarHBondContact O-N 3Å; I91-K169 HydrophobicContact CD1-CB 4.18Å; I91-K169 HydrophobicContact CD1-CD 4.24Å; I91-K169 HydrophobicContact CD1-CG 4.11Å; I91-K169 HydrophobicContact CG1-CB 3.88Å; I91-K169 HydrophobicContact CG1-CG 4.06Å; K169-V171 VanDerWaalsContact C-N 3.29Å; K169-V171 PolarHBondContact O-N 3.47Å; K169-L172 PolarHBondContact O-N 3.48Å; K169-Q173 PolarHBondContact O-N 3.33Å
170A96.9Very high92.9Very high72 Ų7235 Ų3560%0.59520%0.195SC*.Hα-helixtrans-61.8-36.3178.200000112.7K168 Q173 D174K168-A170 VanDerWaalsContact C-N 3.32Å; K168-A170 PolarHBondContact O-N 2.87Å; A170-Q173 PolarHBondContact O-N 2.95Å; A170-D174 WeakPolarHBondContact O-CB 3.45Å; A170-D174 PolarHBondContact O-N 3.12Å
171V98Very high92.8Very high8 Ų836.2 Ų36.25%0.04820%0.203CC..Hα-helixtrans-69-44.4179177.20000110.5D118 V119 Y167 K168 K169 Q173 D174 L175 Y199D118-V171 HydrophobicContact CB-CG1 4.33Å; D118-V171 HydrophobicContact CB-CG2 4.03Å; V119-V171 HydrophobicContact CG2-CG1 4.03Å; Y167-V171 HydrophobicContact CD1-CG1 4.37Å; K168-V171 HydrophobicContact CB-CB 4.18Å; K168-V171 HydrophobicContact CB-CG2 3.77Å; K168-V171 HydrophobicContact CD-CG2 4.46Å; K168-V171 WeakPolarHBondContact O-CB 3.38Å; K168-V171 PolarHBondContact O-N 2.71Å; K169-V171 VanDerWaalsContact C-N 3.29Å; K169-V171 PolarHBondContact O-N 3.47Å; V171-Q173 VanDerWaalsContact C-N 3.29Å; V171-Q173 PolarHBondContact O-N 3.36Å; V171-D174 PolarHBondContact O-N 3.03Å; V171-L175 HydrophobicContact CG1-CD1 3.78Å; V171-L175 HydrophobicContact CG1-CG 4.25Å; V171-L175 WeakPolarHBondContact O-CB 3.29Å; V171-L175 VanDerWaalsContact O-CG 3.24Å; V171-L175 WeakPolarHBondContact O-CG 3.49Å; V171-L175 PolarHBondContact O-N 3.16Å; V171-Y199 HydrophobicContact CB-CE1 4.44Å; V171-Y199 HydrophobicContact CG1-CD1 4.07Å; V171-Y199 HydrophobicContact CG1-CD2 4.16Å; V171-Y199 HydrophobicContact CG1-CE1 4.12Å; V171-Y199 HydrophobicContact CG1-CE2 4.18Å; V171-Y199 HydrophobicContact CG1-CG 4.08Å; V171-Y199 HydrophobicContact CG2-CD1 4Å; V171-Y199 HydrophobicContact CG2-CE1 3.72Å
172L96.9Very high92.7Very high1 Ų144 Ų441%0.00523%0.228CC..Hα-helixtrans-60.5-42.6174.3-174.359.8000110.9L83 I91 I93 Y167 K168 K169 V176 M190L83-L172 HydrophobicContact CD1-CD2 4.05Å; L83-L172 HydrophobicContact CD1-CG 3.98Å; L83-L172 HydrophobicContact CD2-CD2 4Å; L83-L172 HydrophobicContact CG-CD2 4.15Å; I91-L172 HydrophobicContact CB-CD2 3.83Å; I91-L172 HydrophobicContact CG1-CD2 4.27Å; I91-L172 HydrophobicContact CG2-CD2 3.55Å; I93-L172 HydrophobicContact CG2-CD2 4.2Å; Y167-L172 HydrophobicContact CD1-CB 4.22Å; Y167-L172 HydrophobicContact CD1-CD1 4.18Å; Y167-L172 HydrophobicContact CD2-CB 4.47Å; Y167-L172 HydrophobicContact CD2-CD1 3.85Å; Y167-L172 HydrophobicContact CD2-CD2 4.38Å; Y167-L172 HydrophobicContact CD2-CG 4.46Å; Y167-L172 HydrophobicContact CE1-CD1 4.26Å; Y167-L172 HydrophobicContact CE2-CD1 3.9Å; Y167-L172 HydrophobicContact CG-CB 3.92Å; Y167-L172 HydrophobicContact CG-CD1 3.99Å; Y167-L172 HydrophobicContact CG-CG 4.38Å; K168-L172 PolarHBondContact O-N 3.29Å; K169-L172 PolarHBondContact O-N 3.48Å; L172-V176 HydrophobicContact CD1-CG2 3.73Å; L172-V176 HydrophobicContact CG-CG2 4.13Å; L172-V176 WeakPolarHBondContact O-CB 3.16Å; L172-V176 WeakPolarHBondContact O-CG2 3.18Å; L172-V176 PolarHBondContact O-N 3.38Å; L172-M190 HydrophobicContact CD1-CE 3.6Å
173Q94.3Very high92.2Very high115 Ų11545.5 Ų45.554%0.53724%0.243SC..Hα-helixtrans-62.9-45178.9-173.1169.8-4.900112.7K169 A170 V171 S177K169-Q173 PolarHBondContact O-N 3.33Å; A170-Q173 PolarHBondContact O-N 2.95Å; V171-Q173 VanDerWaalsContact C-N 3.29Å; V171-Q173 PolarHBondContact O-N 3.36Å; Q173-S177 WeakPolarHBondContact O-CB 3.14Å; Q173-S177 PolarHBondContact O-N 2.78Å; Q173-S177 VanDerWaalsContact O-N 3.13Å
174D95.7Very high91.6Very high34 Ų3448.7 Ų48.718%0.18226%0.255CS..Hα-helixtrans-61.3-52.6176.217753.2000111.3A170 V171 V176 S177 R178 Y199A170-D174 WeakPolarHBondContact O-CB 3.45Å; A170-D174 PolarHBondContact O-N 3.12Å; V171-D174 PolarHBondContact O-N 3.03Å; D174-V176 PolarHBondContact O-N 2.95Å; D174-S177 PolarHBondContact O-N 2.84Å; D174-S177 VanDerWaalsContact O-N 3.16Å; D174-S177 PolarHBondContact O-OG 3.4Å; D174-R178 WeakPolarHBondContact O-CG 3.15Å; D174-R178 PolarHBondContact O-N 3.22Å; D174-R178 IonicContact OD1-CZ 3.34Å; D174-R178 IonicContact OD1-NE 2.79Å; D174-R178 PolarHBondContact OD1-NE 3.38Å; D174-R178 IonicContact OD1-NH2 2.98Å; D174-R178 PolarHBondContact OD1-NH2 3.05Å; D174-R178 IonicContact OD2-NE 3.44Å; D174-R178 PolarHBondContact OD2-NE 3.19Å; D174-R178 IonicContact OD2-NH2 4Å; D174-Y199 PolarHBondContact OD2-OH 3.12Å
175L95.3Very high91.1Very high0 Ų049.1 Ų49.10%026%0.258CS..Hα-helixtrans-61-44.9-178.2-67.7173.8000112.4Y167 V171 S177 R178 C179 M190 L193 A194 L197 Y199Y167-L175 HydrophobicContact CD1-CD1 4.26Å; Y167-L175 HydrophobicContact CE1-CD1 3.8Å; V171-L175 HydrophobicContact CG1-CD1 3.78Å; V171-L175 HydrophobicContact CG1-CG 4.25Å; V171-L175 WeakPolarHBondContact O-CB 3.29Å; V171-L175 VanDerWaalsContact O-CG 3.24Å; V171-L175 WeakPolarHBondContact O-CG 3.49Å; V171-L175 PolarHBondContact O-N 3.16Å; L175-S177 VanDerWaalsContact C-N 3.27Å; L175-S177 PolarHBondContact O-N 3.47Å; L175-R178 PolarHBondContact O-N 2.9Å; L175-C179 WeakPolarHBondContact O-CB 3.25Å; L175-C179 PolarHBondContact O-N 3.13Å; L175-M190 HydrophobicContact CB-CE 3.35Å; L175-M190 HydrophobicContact CB-SD 3.79Å; L175-M190 HydrophobicContact CD1-CE 3.99Å; L175-M190 HydrophobicContact CG-CE 4.33Å; L175-L193 HydrophobicContact CD2-CB 3.74Å; L175-A194 HydrophobicContact CD1-CB 3.88Å; L175-A194 HydrophobicContact CD2-CB 4.16Å; L175-L197 HydrophobicContact CD2-CD1 3.95Å; L175-Y199 HydrophobicContact CD2-CD2 4.21Å; L175-Y199 HydrophobicContact CD2-CE2 4.05Å; L175-Y199 HydrophobicContact CG-CE2 4.38Å
176V91.7Very high90.6Very high9 Ų949.4 Ų49.46%0.05526%0.259CS..Hα-helixtrans-67.3-30.7179.9-175.70000111.6L80 L172 D174 R178 C179 F186 M190L80-V176 HydrophobicContact CD1-CG1 3.88Å; L80-V176 HydrophobicContact CD2-CB 3.92Å; L80-V176 HydrophobicContact CD2-CG1 3.43Å; L80-V176 VanDerWaalsContact CD2-CG1 3.43Å; L80-V176 HydrophobicContact CG-CB 4.4Å; L80-V176 HydrophobicContact CG-CG1 3.39Å; L172-V176 HydrophobicContact CD1-CG2 3.73Å; L172-V176 HydrophobicContact CG-CG2 4.13Å; L172-V176 WeakPolarHBondContact O-CB 3.16Å; L172-V176 WeakPolarHBondContact O-CG2 3.18Å; L172-V176 PolarHBondContact O-N 3.38Å; D174-V176 PolarHBondContact O-N 2.95Å; V176-R178 VanDerWaalsContact C-N 3.26Å; V176-R178 PolarHBondContact O-N 3.37Å; V176-C179 PolarHBondContact O-N 3.25Å; V176-F186 HydrophobicContact CG1-CE2 4.35Å; V176-F186 HydrophobicContact CG1-CZ 4.44Å; V176-F186 HydrophobicContact CG2-CZ 4.1Å; V176-M190 HydrophobicContact CG2-CE 3.67Å; V176-M190 HydrophobicContact CG2-SD 3.95Å
177S89.5Confident90.2Very high88 Ų8849.9 Ų49.962%0.61526%0.261SS*.Hα-helixtrans-69.3-23.1176.177.20000113.9Q173 D174 L175Q173-S177 WeakPolarHBondContact O-CB 3.14Å; Q173-S177 PolarHBondContact O-N 2.78Å; Q173-S177 VanDerWaalsContact O-N 3.13Å; D174-S177 PolarHBondContact O-N 2.84Å; D174-S177 VanDerWaalsContact O-N 3.16Å; D174-S177 PolarHBondContact O-OG 3.4Å; L175-S177 VanDerWaalsContact C-N 3.27Å; L175-S177 PolarHBondContact O-N 3.47Å
178R91.5Very high89.7Confident124 Ų12449.9 Ų49.947%0.46826%0.261SS..Hα-helixtrans-93.7-23.4178.4-64.9171.4-172.8-91.8-3.2113.1D174 L175 V176 T180 L193D174-R178 WeakPolarHBondContact O-CG 3.15Å; D174-R178 PolarHBondContact O-N 3.22Å; D174-R178 IonicContact OD1-CZ 3.34Å; D174-R178 IonicContact OD1-NE 2.79Å; D174-R178 PolarHBondContact OD1-NE 3.38Å; D174-R178 IonicContact OD1-NH2 2.98Å; D174-R178 PolarHBondContact OD1-NH2 3.05Å; D174-R178 IonicContact OD2-NE 3.44Å; D174-R178 PolarHBondContact OD2-NE 3.19Å; D174-R178 IonicContact OD2-NH2 4Å; L175-R178 PolarHBondContact O-N 2.9Å; V176-R178 VanDerWaalsContact C-N 3.26Å; V176-R178 PolarHBondContact O-N 3.37Å; R178-T180 PolarHBondContact O-N 3.5Å; R178-L193 HydrophobicContact CB-CD1 4.04Å
179C88.4Confident89.4Confident22 Ų2248.2 Ų48.215%0.14925%0.254CS..  trans-68.6129.2-175-1680000111.3L175 V176 F186 E189 M190 L193L175-C179 WeakPolarHBondContact O-CB 3.25Å; L175-C179 PolarHBondContact O-N 3.13Å; V176-C179 PolarHBondContact O-N 3.25Å; C179-F186 HydrophobicContact CB-CD2 4.24Å; C179-F186 HydrophobicContact CB-CE2 3.98Å; C179-F186 WeakPolarHBondContact SG-CD2 3.44Å; C179-F186 VanDerWaalsContact SG-CE2 3.56Å; C179-E189 WeakPolarHBondContact CA-OE1 3.48Å; C179-E189 PolarHBondContact SG-OE2 2.72Å; C179-M190 HydrophobicContact CB-SD 4.15Å; C179-L193 HydrophobicContact CB-CD1 4.42Å
180T84.5Confident89.2Confident105 Ų10545.3 Ų45.364%0.64424%0.241SC*.  trans-106.9-21-179.1600000112.4R178 E189R178-T180 PolarHBondContact O-N 3.5Å; T180-E189 PolarHBondContact N-OE1 3.19Å; T180-E189 PolarHBondContact N-OE2 2.85Å; T180-E189 PolarHBondContact OG1-OE1 2.8Å
181S83.8Confident89Confident25 Ų2541.9 Ų41.918%0.17521%0.213CC..  trans-80.8161.2-176.1-55.90000113.5V185 E189S181-V185 VanDerWaalsContact CB-CG1 3.47Å; S181-V185 VanDerWaalsContact OG-CG1 3.23Å; S181-V185 WeakPolarHBondContact OG-CG1 3.41Å; S181-E189 WeakPolarHBondContact CA-OE2 3.21Å; S181-E189 WeakPolarHBondContact CB-OE2 3.17Å; S181-E189 PolarHBondContact N-OE2 2.95Å; S181-E189 PolarHBondContact OG-OE2 2.81Å
182R79.3Confident88.7Confident204 Ų20441.8 Ų41.877%0.7721%0.212SC*.  trans-121167.2174.6-61.3-179.9-179.4172.10.2110.1
183G76.1Confident88.5Confident34 Ų3442.8 Ų42.835%0.35122%0.218SC..Hα-helixtrans63.8-139.417300000113.3V185 F186G183-V185 VanDerWaalsContact C-N 3.3Å; G183-V185 PolarHBondContact O-N 3.05Å; G183-F186 VanDerWaalsContact O-CB 3.27Å; G183-F186 WeakPolarHBondContact O-CB 3.09Å; G183-F186 PolarHBondContact O-N 3.44Å
184Y75.5Confident88.6Confident77 Ų7737.3 Ų37.330%0.30219%0.192SC..Hα-helixtrans-66.8-30.7-177-71.9-90.7000113.3F186 Q187 K217 L218 E222Y184-F186 VanDerWaalsContact C-N 3.25Å; Y184-F186 PolarHBondContact O-N 3.21Å; Y184-Q187 PolarHBondContact O-N 2.94Å; Y184-K217 VanDerWaalsContact OH-C 3.3Å; Y184-K217 WeakPolarHBondContact OH-CB 3.21Å; Y184-K217 PolarHBondContact OH-O 3.47Å; Y184-L218 HydrophobicContact CD1-CD2 4.07Å; Y184-L218 HydrophobicContact CE1-CD2 3.49Å; Y184-L218 VanDerWaalsContact CE1-CD2 3.49Å; Y184-L218 HydrophobicContact CE1-CG 4.09Å; Y184-L218 HydrophobicContact CE2-CD2 4.47Å; Y184-E222 HydrophobicContact CD2-CB 3.78Å; Y184-E222 HydrophobicContact CD2-CG 3.68Å; Y184-E222 HydrophobicContact CE2-CB 3.76Å; Y184-E222 HydrophobicContact CE2-CG 3.3Å
185V84.2Confident88.5Confident10 Ų1036.6 Ų36.66%0.06119%0.19CC..Hα-helixtrans-64.2-34.4178.1-1760000111S181 G183 Q187 M188 E189 Q225S181-V185 VanDerWaalsContact CB-CG1 3.47Å; S181-V185 VanDerWaalsContact OG-CG1 3.23Å; S181-V185 WeakPolarHBondContact OG-CG1 3.41Å; G183-V185 VanDerWaalsContact C-N 3.3Å; G183-V185 PolarHBondContact O-N 3.05Å; V185-Q187 VanDerWaalsContact C-N 3.29Å; V185-Q187 PolarHBondContact O-N 3.28Å; V185-M188 HydrophobicContact CG1-CE 4Å; V185-M188 PolarHBondContact O-N 2.91Å; V185-M188 VanDerWaalsContact O-N 3.13Å; V185-E189 WeakPolarHBondContact O-CB 3.47Å; V185-E189 PolarHBondContact O-N 2.89Å; V185-Q225 WeakPolarHBondContact CG2-O 3.36Å
186F88.2Confident88.4Confident5 Ų540.1 Ų40.12%0.02221%0.214CC..Hα-helixtrans-52.4-46.1177.6173.3-90.1000111.8G76 Y79 V176 C179 G183 Y184 M188 E189 M190G76-F186 VanDerWaalsContact CA-CZ 3.44Å; Y79-F186 AromaticContact CD2-CE1 3.64Å; Y79-F186 HydrophobicContact CD2-CE1 3.64Å; Y79-F186 AromaticContact CD2-CZ 3.95Å; Y79-F186 HydrophobicContact CD2-CZ 3.95Å; Y79-F186 HydrophobicContact CE2-CD1 4.46Å; Y79-F186 AromaticContact CE2-CE1 3.7Å; Y79-F186 HydrophobicContact CE2-CE1 3.7Å; Y79-F186 HydrophobicContact CE2-CZ 4.47Å; V176-F186 HydrophobicContact CG1-CE2 4.35Å; V176-F186 HydrophobicContact CG1-CZ 4.44Å; V176-F186 HydrophobicContact CG2-CZ 4.1Å; C179-F186 HydrophobicContact CB-CD2 4.24Å; C179-F186 HydrophobicContact CB-CE2 3.98Å; C179-F186 WeakPolarHBondContact SG-CD2 3.44Å; C179-F186 VanDerWaalsContact SG-CE2 3.56Å; G183-F186 VanDerWaalsContact O-CB 3.27Å; G183-F186 WeakPolarHBondContact O-CB 3.09Å; G183-F186 PolarHBondContact O-N 3.44Å; Y184-F186 VanDerWaalsContact C-N 3.25Å; Y184-F186 PolarHBondContact O-N 3.21Å; F186-M188 VanDerWaalsContact C-N 3.34Å; F186-M188 PolarHBondContact O-N 3.38Å; F186-E189 PolarHBondContact O-N 3.37Å; F186-M190 HydrophobicContact CD1-CG 4.14Å; F186-M190 HydrophobicContact CE1-CG 3.71Å; F186-M190 HydrophobicContact CE1-SD 4.33Å; F186-M190 HydrophobicContact CE2-CG 4.11Å; F186-M190 HydrophobicContact CE2-SD 4Å; F186-M190 HydrophobicContact CG-CG 4.5Å; F186-M190 HydrophobicContact CZ-CG 3.69Å; F186-M190 HydrophobicContact CZ-SD 3.72Å; F186-M190 WeakPolarHBondContact O-CG 3.23Å; F186-M190 PolarHBondContact O-N 2.97Å
187Q89.4Confident88.5Confident10 Ų1043.1 Ų43.15%0.04723%0.23CC..Hα-helixtrans-67.5-36.3-177.5-67.9-67.24.800112.4L75 Y79 S163 R165 Y184 V185L75-Q187 HydrophobicContact CD2-CG 4.3Å; Y79-Q187 PolarHBondContact OH-NE2 2.97Å; S163-Q187 VanDerWaalsContact CB-NE2 3.3Å; R165-Q187 VanDerWaalsContact CZ-O 3.29Å; R165-Q187 PolarHBondContact NH1-O 3.33Å; R165-Q187 VanDerWaalsContact NH1-OE1 3.09Å; R165-Q187 PolarHBondContact NH2-O 3.05Å; Y184-Q187 PolarHBondContact O-N 2.94Å; V185-Q187 VanDerWaalsContact C-N 3.29Å; V185-Q187 PolarHBondContact O-N 3.28Å
188M88.7Confident88.8Confident0 Ų041.3 Ų41.30%022%0.224CC..Hα-helixtrans-66.7-51.2174173.3175.357.400110.8A149 L153 L160 V185 F186 M190 I191 V192 Y226 L230 L233A149-M188 HydrophobicContact CB-SD 4.45Å; L153-M188 HydrophobicContact CD1-CG 4.3Å; L153-M188 HydrophobicContact CD1-SD 4.13Å; L160-M188 HydrophobicContact CB-CB 4.46Å; L160-M188 HydrophobicContact CB-CG 4.26Å; L160-M188 HydrophobicContact CD1-CG 4.41Å; L160-M188 WeakPolarHBondContact O-CA 3.33Å; V185-M188 HydrophobicContact CG1-CE 4Å; V185-M188 PolarHBondContact O-N 2.91Å; V185-M188 VanDerWaalsContact O-N 3.13Å; F186-M188 VanDerWaalsContact C-N 3.34Å; F186-M188 PolarHBondContact O-N 3.38Å; M188-M190 VanDerWaalsContact C-N 3.25Å; M188-M190 PolarHBondContact O-N 3.3Å; M188-I191 PolarHBondContact O-N 3.23Å; M188-V192 HydrophobicContact CG-CG2 4.12Å; M188-V192 VanDerWaalsContact O-CG2 3.25Å; M188-V192 WeakPolarHBondContact O-CG2 3.3Å; M188-V192 PolarHBondContact O-N 3.18Å; M188-Y226 HydrophobicContact CB-CE2 3.95Å; M188-Y226 HydrophobicContact CE-CD2 4.22Å; M188-Y226 HydrophobicContact CE-CE2 3.98Å; M188-Y226 HydrophobicContact CG-CE2 4.39Å; M188-Y226 HydrophobicContact SD-CE1 4.07Å; M188-Y226 HydrophobicContact SD-CE2 3.75Å; M188-Y226 PolarHBondContact SD-OH 2.87Å; M188-Y226 VanDerWaalsContact SD-OH 3.42Å; M188-L230 HydrophobicContact CE-CB 3.92Å; M188-L230 HydrophobicContact SD-CB 4.09Å; M188-L230 HydrophobicContact SD-CD1 4.17Å; M188-L233 HydrophobicContact CE-CD1 3.96Å; M188-L233 HydrophobicContact CG-CD1 4.06Å; M188-L233 HydrophobicContact SD-CD1 4.43Å
189E91.3Very high89.1Confident8 Ų837.9 Ų37.94%0.03721%0.212CC..Hα-helixtrans-54.8-41.8179.3180172.7-177.300111.5C179 T180 S181 V185 F186 I191 V192 L193 L233C179-E189 WeakPolarHBondContact CA-OE1 3.48Å; C179-E189 PolarHBondContact SG-OE2 2.72Å; T180-E189 PolarHBondContact N-OE1 3.19Å; T180-E189 PolarHBondContact N-OE2 2.85Å; T180-E189 PolarHBondContact OG1-OE1 2.8Å; S181-E189 WeakPolarHBondContact CA-OE2 3.21Å; S181-E189 WeakPolarHBondContact CB-OE2 3.17Å; S181-E189 PolarHBondContact N-OE2 2.95Å; S181-E189 PolarHBondContact OG-OE2 2.81Å; V185-E189 WeakPolarHBondContact O-CB 3.47Å; V185-E189 PolarHBondContact O-N 2.89Å; F186-E189 PolarHBondContact O-N 3.37Å; E189-I191 VanDerWaalsContact C-N 3.31Å; E189-I191 PolarHBondContact O-N 3.02Å; E189-V192 PolarHBondContact O-N 3.19Å; E189-L193 HydrophobicContact CG-CD1 3.68Å; E189-L193 HydrophobicContact CG-CG 3.98Å; E189-L193 VanDerWaalsContact O-CB 3.3Å; E189-L193 WeakPolarHBondContact O-CB 3.22Å; E189-L193 VanDerWaalsContact O-CG 3.31Å; E189-L193 WeakPolarHBondContact O-CG 3.35Å; E189-L193 PolarHBondContact O-N 3.48Å; E189-L233 HydrophobicContact CB-CD1 3.99Å; E189-L233 HydrophobicContact CB-CD2 4.16Å; E189-L233 HydrophobicContact CG-CD2 3.84Å
190M93.2Very high89.6Confident1 Ų142.4 Ų42.41%0.00523%0.229CC..Hα-helixtrans-56.9-39.5177.6-72.8-67.7-63.400113.6Y167 L172 L175 V176 C179 F186 M188 A194Y167-M190 HydrophobicContact CE1-CE 4.31Å; L172-M190 HydrophobicContact CD1-CE 3.6Å; L175-M190 HydrophobicContact CB-CE 3.35Å; L175-M190 HydrophobicContact CB-SD 3.79Å; L175-M190 HydrophobicContact CD1-CE 3.99Å; L175-M190 HydrophobicContact CG-CE 4.33Å; V176-M190 HydrophobicContact CG2-CE 3.67Å; V176-M190 HydrophobicContact CG2-SD 3.95Å; C179-M190 HydrophobicContact CB-SD 4.15Å; F186-M190 HydrophobicContact CD1-CG 4.14Å; F186-M190 HydrophobicContact CE1-CG 3.71Å; F186-M190 HydrophobicContact CE1-SD 4.33Å; F186-M190 HydrophobicContact CE2-CG 4.11Å; F186-M190 HydrophobicContact CE2-SD 4Å; F186-M190 HydrophobicContact CG-CG 4.5Å; F186-M190 HydrophobicContact CZ-CG 3.69Å; F186-M190 HydrophobicContact CZ-SD 3.72Å; F186-M190 WeakPolarHBondContact O-CG 3.23Å; F186-M190 PolarHBondContact O-N 2.97Å; M188-M190 VanDerWaalsContact C-N 3.25Å; M188-M190 PolarHBondContact O-N 3.3Å; M190-A194 VanDerWaalsContact O-CB 3.29Å; M190-A194 WeakPolarHBondContact O-CB 3.29Å; M190-A194 PolarHBondContact O-N 2.88Å
191I93.5Very high90.2Very high0 Ų038.2 Ų38.20%020%0.202CC..Hα-helixtrans-79.7-36.1178.5-70.4-65.8000111.6V119 P155 A157 L160 M188 E189 A194 S195 I201V119-I191 HydrophobicContact CG1-CD1 4.16Å; P155-I191 HydrophobicContact CB-CG2 4.19Å; A157-I191 HydrophobicContact CB-CG2 3.65Å; L160-I191 HydrophobicContact CD2-CB 3.93Å; L160-I191 HydrophobicContact CD2-CG2 3.4Å; M188-I191 PolarHBondContact O-N 3.23Å; E189-I191 VanDerWaalsContact C-N 3.31Å; E189-I191 PolarHBondContact O-N 3.02Å; I191-A194 PolarHBondContact O-N 3.48Å; I191-S195 WeakPolarHBondContact O-CB 3.11Å; I191-S195 PolarHBondContact O-N 3.23Å; I191-I201 HydrophobicContact CG2-CD1 4.23Å
192V92Very high90.8Very high5 Ų537.1 Ų37.13%0.0320%0.195CC..Hα-helixtrans-64.2-47.7177.8175.30000109.8L153 M188 E189 A194 S195 S196 L233 C237L153-V192 HydrophobicContact CB-CG1 4.45Å; L153-V192 HydrophobicContact CB-CG2 4.19Å; L153-V192 HydrophobicContact CD1-CB 4.44Å; L153-V192 HydrophobicContact CD1-CG1 4.28Å; L153-V192 HydrophobicContact CD1-CG2 3.35Å; L153-V192 HydrophobicContact CG-CG2 4.37Å; M188-V192 HydrophobicContact CG-CG2 4.12Å; M188-V192 VanDerWaalsContact O-CG2 3.25Å; M188-V192 WeakPolarHBondContact O-CG2 3.3Å; M188-V192 PolarHBondContact O-N 3.18Å; E189-V192 PolarHBondContact O-N 3.19Å; V192-A194 VanDerWaalsContact C-N 3.34Å; V192-A194 PolarHBondContact O-N 2.73Å; V192-S195 PolarHBondContact O-N 3.31Å; V192-S196 WeakPolarHBondContact O-CB 3.43Å; V192-S196 PolarHBondContact O-N 3.17Å; V192-S196 PolarHBondContact O-OG 2.58Å; V192-L233 HydrophobicContact CB-CD1 4.46Å; V192-L233 HydrophobicContact CG2-CD1 4.27Å; V192-C237 HydrophobicContact CG1-CB 4.38Å
193L93.2Very high91.6Very high23 Ų2330.6 Ų30.612%0.1217%0.173CC..Hα-helixtrans-60.3-42.7171.9-72.2176.5000111.7L175 R178 C179 E189 S195 S196 L197L175-L193 HydrophobicContact CD2-CB 3.74Å; R178-L193 HydrophobicContact CB-CD1 4.04Å; C179-L193 HydrophobicContact CB-CD1 4.42Å; E189-L193 HydrophobicContact CG-CD1 3.68Å; E189-L193 HydrophobicContact CG-CG 3.98Å; E189-L193 VanDerWaalsContact O-CB 3.3Å; E189-L193 WeakPolarHBondContact O-CB 3.22Å; E189-L193 VanDerWaalsContact O-CG 3.31Å; E189-L193 WeakPolarHBondContact O-CG 3.35Å; E189-L193 PolarHBondContact O-N 3.48Å; L193-S195 VanDerWaalsContact C-N 3.28Å; L193-S195 PolarHBondContact O-N 2.75Å; L193-S196 WeakPolarHBondContact CA-OG 3.26Å; L193-S196 PolarHBondContact O-N 3.23Å; L193-S196 PolarHBondContact O-OG 3.47Å; L193-L197 VanDerWaalsContact O-CB 3.29Å; L193-L197 WeakPolarHBondContact O-CB 3.42Å; L193-L197 VanDerWaalsContact O-CG 3.25Å; L193-L197 WeakPolarHBondContact O-CG 3.33Å; L193-L197 PolarHBondContact O-N 2.56Å
194A95.6Very high92.7Very high0 Ų029.7 Ų29.70%016%0.161CC..Hα-helixtrans-58.4-44.717700000111.5V119 L175 M190 I191 V192 G198 Y199 I201V119-A194 HydrophobicContact CG2-CB 4.25Å; L175-A194 HydrophobicContact CD1-CB 3.88Å; L175-A194 HydrophobicContact CD2-CB 4.16Å; M190-A194 VanDerWaalsContact O-CB 3.29Å; M190-A194 WeakPolarHBondContact O-CB 3.29Å; M190-A194 PolarHBondContact O-N 2.88Å; I191-A194 PolarHBondContact O-N 3.48Å; V192-A194 VanDerWaalsContact C-N 3.34Å; V192-A194 PolarHBondContact O-N 2.73Å; A194-G198 PolarHBondContact O-N 2.89Å; A194-Y199 HydrophobicContact CB-CD2 4.49Å; A194-Y199 WeakPolarHBondContact O-CB 3.21Å; A194-Y199 PolarHBondContact O-N 3.39Å; A194-I201 HydrophobicContact CB-CD1 3.86Å; A194-I201 HydrophobicContact CB-CG1 4.37Å
195S93.8Very high93.6Very high19 Ų1926.4 Ų26.413%0.13315%0.15CC..Hα-helixtrans-67.7-43.9179.1-169.20000112.3K156 I191 V192 L193 G198K156-S195 PolarHBondContact N-OG 2.66Å; I191-S195 WeakPolarHBondContact O-CB 3.11Å; I191-S195 PolarHBondContact O-N 3.23Å; V192-S195 PolarHBondContact O-N 3.31Å; L193-S195 VanDerWaalsContact C-N 3.28Å; L193-S195 PolarHBondContact O-N 2.75Å; S195-G198 PolarHBondContact O-N 3.18Å
196S92.4Very high94.1Very high74 Ų7426.1 Ų26.152%0.51715%0.148SC..Hα-helixtrans-70.7-33.2-177.768.70000112.9V192 L193 G198V192-S196 WeakPolarHBondContact O-CB 3.43Å; V192-S196 PolarHBondContact O-N 3.17Å; V192-S196 PolarHBondContact O-OG 2.58Å; L193-S196 WeakPolarHBondContact CA-OG 3.26Å; L193-S196 PolarHBondContact O-N 3.23Å; L193-S196 PolarHBondContact O-OG 3.47Å; S196-G198 PolarHBondContact O-N 3.04Å
197L95Very high94.2Very high72 Ų7228.3 Ų28.338%0.37716%0.162SC..THydrogen-bonded Turntrans-78.5-1.2174-65169.5000113.2L175 L193 Y199L175-L197 HydrophobicContact CD2-CD1 3.95Å; L193-L197 VanDerWaalsContact O-CB 3.29Å; L193-L197 WeakPolarHBondContact O-CB 3.42Å; L193-L197 VanDerWaalsContact O-CG 3.25Å; L193-L197 WeakPolarHBondContact O-CG 3.33Å; L193-L197 PolarHBondContact O-N 2.56Å; L197-Y199 HydrophobicContact CB-CD2 3.83Å; L197-Y199 HydrophobicContact CB-CE2 3.82Å; L197-Y199 HydrophobicContact CD1-CD2 4.48Å; L197-Y199 HydrophobicContact CD1-CE2 3.91Å
198G95.4Very high94.1Very high49 Ų4928.8 Ų28.851%0.50516%0.164SC..THydrogen-bonded Turntrans80.512.6175.300000115.1A194 S195 S196A194-G198 PolarHBondContact O-N 2.89Å; S195-G198 PolarHBondContact O-N 3.18Å; S196-G198 PolarHBondContact O-N 3.04Å
199Y97.8Very high93.9Very high53 Ų5331.8 Ų31.821%0.20818%0.183CC..  trans-63.1145.9174-68.5-64.7000111.2D118 V171 D174 L175 A194 L197 I201D118-Y199 HydrophobicContact CB-CD1 3.96Å; D118-Y199 HydrophobicContact CB-CG 4.31Å; V171-Y199 HydrophobicContact CB-CE1 4.44Å; V171-Y199 HydrophobicContact CG1-CD1 4.07Å; V171-Y199 HydrophobicContact CG1-CD2 4.16Å; V171-Y199 HydrophobicContact CG1-CE1 4.12Å; V171-Y199 HydrophobicContact CG1-CE2 4.18Å; V171-Y199 HydrophobicContact CG1-CG 4.08Å; V171-Y199 HydrophobicContact CG2-CD1 4Å; V171-Y199 HydrophobicContact CG2-CE1 3.72Å; D174-Y199 PolarHBondContact OD2-OH 3.12Å; L175-Y199 HydrophobicContact CD2-CD2 4.21Å; L175-Y199 HydrophobicContact CD2-CE2 4.05Å; L175-Y199 HydrophobicContact CG-CE2 4.38Å; A194-Y199 HydrophobicContact CB-CD2 4.49Å; A194-Y199 WeakPolarHBondContact O-CB 3.21Å; A194-Y199 PolarHBondContact O-N 3.39Å; L197-Y199 HydrophobicContact CB-CD2 3.83Å; L197-Y199 HydrophobicContact CB-CE2 3.82Å; L197-Y199 HydrophobicContact CD1-CD2 4.48Å; L197-Y199 HydrophobicContact CD1-CE2 3.91Å; Y199-I201 PolarHBondContact O-N 3.02Å
200K97.7Very high93.2Very high117 Ų11733.8 Ų33.851%0.50919%0.194SC..  trans-80.3119178.5-62.2179-177.2171.60109.9Y117 D118 V119Y117-K200 HydrophobicContact CD1-CB 3.82Å; Y117-K200 HydrophobicContact CE1-CB 4.44Å; D118-K200 PolarHBondContact N-O 2.91Å; D118-K200 PolarHBondContact OD2-N 2.89Å; V119-K200 PolarHBondContact N-O 2.91Å; V119-K200 VanDerWaalsContact N-O 3.14Å
201I97.5Very high92.4Very high16 Ų1636.1 Ų36.18%0.08220%0.202CC..EExtended strand (participates in β ladder)trans-109.2127180-51.9176.3000109.4Y117 V119 T121 A157 I191 A194 Y199Y117-I201 VanDerWaalsContact CD1-C 3.47Å; Y117-I201 WeakPolarHBondContact CE1-O 3.46Å; V119-I201 HydrophobicContact CB-CG1 4.41Å; V119-I201 CarbonylContact O-C 3.57Å; V119-I201 WeakPolarHBondContact O-CA 3.49Å; T121-I201 HydrophobicContact CG2-CG2 4.28Å; A157-I201 HydrophobicContact CB-CG2 4.26Å; I191-I201 HydrophobicContact CG2-CD1 4.23Å; A194-I201 HydrophobicContact CB-CD1 3.86Å; A194-I201 HydrophobicContact CB-CG1 4.37Å; Y199-I201 PolarHBondContact O-N 3.02Å
202G96.9Very high91.3Very high2 Ų242.5 Ų42.52%0.02123%0.23CC..EExtended strand (participates in β ladder)trans-112154.517100000111.3V119 V120 T121V119-G202 PolarHBondContact O-N 2.99Å; V120-G202 CarbonylContact C-O 3.53Å; V120-G202 WeakPolarHBondContact CA-O 3.34Å; T121-G202 PolarHBondContact N-O 3.43Å
203E97Very high89.8Confident67 Ų6747.6 Ų47.631%0.31325%0.25SC..EExtended strand (participates in β ladder)trans-122.6138.6179.8-59.4-158.4111.400112.1L111 T121 T123 S158L111-E203 WeakPolarHBondContact CD2-O 3.18Å; T121-E203 HydrophobicContact CG2-CG 3.89Å; T121-E203 WeakPolarHBondContact O-CA 3.15Å; T123-E203 HydrophobicContact CG2-CB 3.84Å; S158-E203 WeakPolarHBondContact CB-OE2 3.23Å; S158-E203 VanDerWaalsContact N-CD 3.3Å; S158-E203 PolarHBondContact N-OE1 2.93Å; S158-E203 PolarHBondContact N-OE2 2.97Å; S158-E203 PolarHBondContact OG-OE1 3.41Å; S158-E203 PolarHBondContact OG-OE2 2.81Å
204V97.4Very high88.7Confident16 Ų1649.6 Ų49.610%0.09728%0.276CS..EExtended strand (participates in β ladder)trans-117.1126.2169.5172.50000108.2E107 F108 L111 V120 T121 G122 T123 I206E107-V204 HydrophobicContact CB-CG1 3.98Å; F108-V204 HydrophobicContact CD1-CB 3.65Å; F108-V204 HydrophobicContact CD1-CG1 3.89Å; F108-V204 HydrophobicContact CD1-CG2 3.69Å; F108-V204 HydrophobicContact CE1-CB 3.54Å; F108-V204 HydrophobicContact CE1-CG1 3.78Å; F108-V204 HydrophobicContact CE1-CG2 4.12Å; L111-V204 HydrophobicContact CB-CG2 4.26Å; L111-V204 HydrophobicContact CD2-CG2 3.71Å; V120-V204 HydrophobicContact CG1-CG2 3.86Å; T121-V204 PolarHBondContact O-N 3.42Å; G122-V204 CarbonylContact C-O 3.54Å; G122-V204 WeakPolarHBondContact CA-O 3.38Å; T123-V204 PolarHBondContact N-O 2.98Å; V204-I206 HydrophobicContact CG1-CG2 4.33Å; V204-I206 PolarHBondContact O-N 3.4Å
205G96.3Very high87.5Confident7 Ų757.8 Ų57.87%0.07231%0.314CS..EExtended strand (participates in β ladder)trans-62.5121.3172.400000111T123 N128T123-G205 WeakPolarHBondContact O-CA 3.37Å; N128-G205 WeakPolarHBondContact OD1-CA 3.49Å
206I94.7Very high86.3Confident4 Ų460 Ų602%0.02133%0.329CS..  trans-121.5154.7179.463.2163.6000111.4F104 F108 T123 G129 G130 F164 V204F104-I206 HydrophobicContact CB-CG2 3.91Å; F104-I206 HydrophobicContact CD1-CB 4.49Å; F104-I206 HydrophobicContact CD1-CG2 3.96Å; F104-I206 HydrophobicContact CD2-CB 3.92Å; F104-I206 HydrophobicContact CD2-CG2 3.73Å; F104-I206 HydrophobicContact CE1-CB 4.44Å; F104-I206 HydrophobicContact CE1-CG2 4.38Å; F104-I206 HydrophobicContact CE2-CB 3.87Å; F104-I206 HydrophobicContact CE2-CG2 4.18Å; F104-I206 HydrophobicContact CG-CB 4.24Å; F104-I206 HydrophobicContact CG-CG2 3.61Å; F104-I206 HydrophobicContact CZ-CB 4.15Å; F104-I206 HydrophobicContact CZ-CG2 4.48Å; F108-I206 HydrophobicContact CE1-CG2 3.88Å; F108-I206 HydrophobicContact CZ-CG2 4.18Å; T123-I206 PolarHBondContact O-N 2.95Å; G129-I206 CarbonylContact C-O 3.57Å; G129-I206 VanDerWaalsContact CA-O 3.29Å; G129-I206 WeakPolarHBondContact CA-O 3.3Å; G130-I206 PolarHBondContact N-O 2.89Å; F164-I206 HydrophobicContact CD1-CD1 4.19Å; V204-I206 HydrophobicContact CG1-CG2 4.33Å; V204-I206 PolarHBondContact O-N 3.4Å
207T90.3Very high85.3Confident51 Ų5161.1 Ų61.131%0.31333%0.325SS..EExtended strand (participates in β ladder)trans-95.3120.1166.1-43.50000108.7G130G130-T207 WeakPolarHBondContact O-CA 3.44Å
208F86.6Confident83.9Confident20 Ų2061.4 Ų61.49%0.08833%0.326CS..EExtended strand (participates in β ladder)trans-95.6132.7170.7-174.3-81.7000109.3S99 H100 R124 G130 V131 S132 W134S99-F208 VanDerWaalsContact CB-CZ 3.46Å; H100-F208 AromaticContact CD2-CD2 3.86Å; H100-F208 AromaticContact CE1-CE2 3.59Å; H100-F208 AromaticContact NE2-CD2 3.52Å; H100-F208 AromaticContact NE2-CE2 3.58Å; R124-F208 HydrophobicContact CG-CB 3.78Å; G130-F208 PolarHBondContact O-N 2.9Å; V131-F208 CarbonylContact C-O 3.57Å; V131-F208 WeakPolarHBondContact CA-O 3.31Å; V131-F208 HydrophobicContact CG1-CB 4.3Å; S132-F208 PolarHBondContact N-O 3.3Å; W134-F208 AromaticContact CE2-CD1 3.9Å; W134-F208 AromaticContact CZ2-CD1 3.67Å; W134-F208 HydrophobicContact CZ2-CD1 3.67Å; W134-F208 AromaticContact CZ2-CE1 3.63Å; W134-F208 HydrophobicContact CZ2-CE1 3.63Å; W134-F208 HydrophobicContact CZ2-CZ 4.5Å; W134-F208 AromaticContact NE1-CD1 3.79Å; W134-F208 AromaticContact NE1-CE1 3.8Å
209V84Confident82.7Confident64 Ų6460.5 Ų60.539%0.38832%0.317SS..EExtended strand (participates in β ladder)trans-115.9148175.9-168.90000107.9S99S99-V209 VanDerWaalsContact CA-O 3.23Å; S99-V209 WeakPolarHBondContact CA-O 3.36Å; S99-V209 WeakPolarHBondContact CB-O 3.27Å; S99-V209 PolarHBondContact O-N 3.44Å; S99-V209 PolarHBondContact OG-O 2.97Å
210D77.4Confident81.5Confident50 Ų5060.3 Ų60.327%0.26733%0.331SS..  trans-56.7149.3166.6-80.9-30.9000111.2S132 W134 R138S132-D210 PolarHBondContact O-N 3.44Å; W134-D210 VanDerWaalsContact CD1-CG 3.49Å; W134-D210 VanDerWaalsContact CD1-OD1 3.29Å; W134-D210 VanDerWaalsContact CD1-OD2 3.26Å; W134-D210 PolarHBondContact NE1-OD1 3.43Å; R138-D210 IonicContact CZ-OD1 3.01Å; R138-D210 VanDerWaalsContact CZ-OD1 3.24Å; R138-D210 VanDerWaalsContact NH1-CG 3.34Å; R138-D210 IonicContact NH1-OD1 2.81Å; R138-D210 PolarHBondContact NH1-OD1 2.84Å; R138-D210 IonicContact NH1-OD2 2.66Å; R138-D210 PolarHBondContact NH1-OD2 2.94Å; R138-D210 IonicContact NH2-OD1 2.83Å; R138-D210 PolarHBondContact NH2-OD1 2.81Å; R138-D210 VanDerWaalsContact NH2-OD1 3.12Å
211R75.3Confident80.4Confident50 Ų5059 Ų5919%0.18933%0.333CS..  trans-48.3144.3-178.265.3179.262.3-179.715.9110.9D97 S99 Y213 G214 E215D97-R211 HydrophobicContact CB-CB 4.08Å; S99-R211 PolarHBondContact OG-N 3.19Å; R211-Y213 WeakPolarHBondContact CD-O 3.15Å; R211-G214 WeakPolarHBondContact CD-O 3.4Å; R211-E215 PolarHBondContact NH1-O 3.48Å; R211-E215 PolarHBondContact NH2-O 3.24Å
212F70.1Confident79.4Confident134 Ų13460.8 Ų60.859%0.58834%0.341SS*.SBendtrans-78.3-42.1-176.7-159-103.1000112D97 L98D97-F212 PolarHBondContact O-N 3.23Å; L98-F212 HydrophobicContact CB-CB 4.11Å; L98-F212 HydrophobicContact CD1-CB 3.72Å; L98-F212 HydrophobicContact CD1-CD1 4.3Å; L98-F212 HydrophobicContact CD1-CG 4.15Å
213Y61.7Low78.4Confident112 Ų11263.9 Ų63.944%0.43936%0.357SS..SBendtrans-121140.7171.3-63.8-67.3000111.7E15 N16 I19 R211E15-Y213 HydrophobicContact CB-CD2 3.73Å; E15-Y213 HydrophobicContact CB-CE2 4.16Å; E15-Y213 HydrophobicContact CB-CG 4.12Å; N16-Y213 VanDerWaalsContact OD1-CD2 3.29Å; N16-Y213 WeakPolarHBondContact OD1-CD2 3.48Å; I19-Y213 HydrophobicContact CD1-CE2 3.87Å; R211-Y213 WeakPolarHBondContact CD-O 3.15Å
214G70.6Confident77.5Confident65 Ų6565.5 Ų65.567%0.6737%0.366SS*.SBendtrans95.6-171.7179.200000115R211R211-G214 WeakPolarHBondContact CD-O 3.4Å
215E69.8Low76.8Confident172 Ų17268.6 Ų68.680%0.80438%0.38SS*.  trans-121.5137-178.1-66.4-158.1155.800116.4R211 K217R211-E215 PolarHBondContact NH1-O 3.48Å; R211-E215 PolarHBondContact NH2-O 3.24Å; E215-K217 PolarHBondContact O-N 3.44Å
216S68.8Low76.1Confident64 Ų6468.9 Ų68.945%0.44838%0.379SS..  trans-34.7132.1-178.6-174.80000114.9L218S216-L218 VanDerWaalsContact C-N 3.32Å; S216-L218 PolarHBondContact OG-N 3.03Å
217K70.1Confident75.5Confident99 Ų9972.8 Ų72.843%0.4340%0.399SS..  trans-90.70.1177-78.3170.8-170.9166.30110.7Y184 E215 G219 E222Y184-K217 VanDerWaalsContact OH-C 3.3Å; Y184-K217 WeakPolarHBondContact OH-CB 3.21Å; Y184-K217 PolarHBondContact OH-O 3.47Å; E215-K217 PolarHBondContact O-N 3.44Å; K217-G219 PolarHBondContact O-N 3.26Å; K217-E222 WeakPolarHBondContact O-CG 3.36Å
218L66.4Low75.2Confident77 Ų7775.8 Ų75.840%0.40341%0.411SS..  trans-86.396.7177.4-76.9164.8000108.9Y184 S216Y184-L218 HydrophobicContact CD1-CD2 4.07Å; Y184-L218 HydrophobicContact CE1-CD2 3.49Å; Y184-L218 VanDerWaalsContact CE1-CD2 3.49Å; Y184-L218 HydrophobicContact CE1-CG 4.09Å; Y184-L218 HydrophobicContact CE2-CD2 4.47Å; S216-L218 VanDerWaalsContact C-N 3.32Å; S216-L218 PolarHBondContact OG-N 3.03Å
219G71.1Confident75Confident30 Ų3075.2 Ų75.231%0.30941%0.41SS..  trans-105.9-175.516900000112.3K217 T221 E222 I223K217-G219 PolarHBondContact O-N 3.26Å; G219-T221 VanDerWaalsContact C-N 3.32Å; G219-T221 PolarHBondContact O-N 3.39Å; G219-E222 WeakPolarHBondContact CA-OE2 3.42Å; G219-E222 PolarHBondContact N-OE2 2.69Å; G219-E222 PolarHBondContact O-N 3.07Å; G219-I223 WeakPolarHBondContact O-CG1 3.39Å; G219-I223 PolarHBondContact O-N 3.15Å
220G71.6Confident75Confident49 Ų4972.6 Ų72.651%0.50539%0.394SS..Hα-helixtrans-63.7-36.8178.500000112.9E222 I223 I224G220-E222 VanDerWaalsContact C-N 3.35Å; G220-E222 PolarHBondContact O-N 3.49Å; G220-I223 PolarHBondContact O-N 3.18Å; G220-I224 WeakPolarHBondContact O-CG1 3.43Å; G220-I224 PolarHBondContact O-N 3.15Å
221T75.3Confident75.4Confident90 Ų9074.8 Ų74.855%0.55241%0.405SS*.Hα-helixtrans-62.4-42.3178.8-51.70000111.6G219 I223 I224 Q225G219-T221 VanDerWaalsContact C-N 3.32Å; G219-T221 PolarHBondContact O-N 3.39Å; T221-I223 VanDerWaalsContact C-N 3.34Å; T221-I224 PolarHBondContact O-N 2.96Å; T221-Q225 WeakPolarHBondContact O-CG 3.48Å; T221-Q225 PolarHBondContact O-N 3.45Å
222E75.1Confident75.9Confident54 Ų5477 Ų7725%0.25242%0.418SS..Hα-helixtrans-64.9-39.2177.9-68.470.8-160.100111.6Y184 K217 G219 G220 Q225 Y226Y184-E222 HydrophobicContact CD2-CB 3.78Å; Y184-E222 HydrophobicContact CD2-CG 3.68Å; Y184-E222 HydrophobicContact CE2-CB 3.76Å; Y184-E222 HydrophobicContact CE2-CG 3.3Å; K217-E222 WeakPolarHBondContact O-CG 3.36Å; G219-E222 WeakPolarHBondContact CA-OE2 3.42Å; G219-E222 PolarHBondContact N-OE2 2.69Å; G219-E222 PolarHBondContact O-N 3.07Å; G220-E222 VanDerWaalsContact C-N 3.35Å; G220-E222 PolarHBondContact O-N 3.49Å; E222-Q225 PolarHBondContact O-N 2.94Å; E222-Y226 WeakPolarHBondContact O-CB 3.47Å; E222-Y226 PolarHBondContact O-N 3.35Å
223I75.8Confident76.5Confident67 Ų6770.9 Ų70.934%0.34439%0.391SS..Hα-helixtrans-64.1-45.4175.4-66168.6000110.4G219 G220 T221 Y226 I227G219-I223 WeakPolarHBondContact O-CG1 3.39Å; G219-I223 PolarHBondContact O-N 3.15Å; G220-I223 PolarHBondContact O-N 3.18Å; T221-I223 VanDerWaalsContact C-N 3.34Å; I223-Y226 WeakPolarHBondContact O-CB 3.17Å; I223-Y226 PolarHBondContact O-N 3.41Å; I223-I227 HydrophobicContact CG2-CD1 4Å; I223-I227 WeakPolarHBondContact O-CG1 3.29Å; I223-I227 PolarHBondContact O-N 3.15Å
224I78.2Confident77.5Confident100 Ų10070.2 Ų70.251%0.51339%0.39SS..Hα-helixtrans-63.3-44.7178.2-66.5166.4000110.5G220 T221 Y226 I227 M228G220-I224 WeakPolarHBondContact O-CG1 3.43Å; G220-I224 PolarHBondContact O-N 3.15Å; T221-I224 PolarHBondContact O-N 2.96Å; I224-Y226 VanDerWaalsContact C-N 3.3Å; I224-Y226 PolarHBondContact O-N 3.5Å; I224-I227 PolarHBondContact O-N 2.94Å; I224-M228 HydrophobicContact CG2-CE 4.01Å; I224-M228 HydrophobicContact CG2-CG 4.37Å; I224-M228 HydrophobicContact CG2-SD 4.3Å; I224-M228 WeakPolarHBondContact O-CG 3.39Å; I224-M228 PolarHBondContact O-N 3.4Å
225Q82.5Confident78.1Confident82 Ų8272 Ų7238%0.38339%0.392SS..Hα-helixtrans-58.4-43.6175.1-75.3177.70.300111.6V185 T221 E222 I227 M228 G229V185-Q225 WeakPolarHBondContact CG2-O 3.36Å; T221-Q225 WeakPolarHBondContact O-CG 3.48Å; T221-Q225 PolarHBondContact O-N 3.45Å; E222-Q225 PolarHBondContact O-N 2.94Å; Q225-I227 PolarHBondContact O-N 3.07Å; Q225-M228 PolarHBondContact O-N 3.14Å; Q225-G229 PolarHBondContact O-N 3.13Å
226Y81.5Confident78.6Confident13 Ų1367.9 Ų67.95%0.05138%0.379CS..Hα-helixtrans-58.8-47176.3-173.4-90.1000111.9A145 T161 M188 E222 I223 I224 G229 L230A145-Y226 HydrophobicContact CB-CE1 4.18Å; T161-Y226 HydrophobicContact CG2-CD2 4.16Å; T161-Y226 HydrophobicContact CG2-CE1 4.32Å; T161-Y226 HydrophobicContact CG2-CE2 3.38Å; T161-Y226 VanDerWaalsContact CG2-CZ 3.46Å; T161-Y226 WeakPolarHBondContact CG2-OH 3.47Å; M188-Y226 HydrophobicContact CB-CE2 3.95Å; M188-Y226 HydrophobicContact CE-CD2 4.22Å; M188-Y226 HydrophobicContact CE-CE2 3.98Å; M188-Y226 HydrophobicContact CG-CE2 4.39Å; M188-Y226 HydrophobicContact SD-CE1 4.07Å; M188-Y226 HydrophobicContact SD-CE2 3.75Å; M188-Y226 PolarHBondContact SD-OH 2.87Å; M188-Y226 VanDerWaalsContact SD-OH 3.42Å; E222-Y226 WeakPolarHBondContact O-CB 3.47Å; E222-Y226 PolarHBondContact O-N 3.35Å; I223-Y226 WeakPolarHBondContact O-CB 3.17Å; I223-Y226 PolarHBondContact O-N 3.41Å; I224-Y226 VanDerWaalsContact C-N 3.3Å; I224-Y226 PolarHBondContact O-N 3.5Å; Y226-G229 PolarHBondContact O-N 3.39Å; Y226-L230 WeakPolarHBondContact O-CB 3.49Å; Y226-L230 PolarHBondContact O-N 3.34Å
227I82.4Confident78.7Confident86 Ų8669.8 Ų69.844%0.44139%0.391SS..Hα-helixtrans-64.6-44.8178.9-65.9167.2000111.4I223 I224 Q225 G229 L230 L231I223-I227 HydrophobicContact CG2-CD1 4Å; I223-I227 WeakPolarHBondContact O-CG1 3.29Å; I223-I227 PolarHBondContact O-N 3.15Å; I224-I227 PolarHBondContact O-N 2.94Å; Q225-I227 PolarHBondContact O-N 3.07Å; I227-G229 VanDerWaalsContact C-N 3.32Å; I227-G229 PolarHBondContact O-N 2.99Å; I227-L230 WeakPolarHBondContact O-CB 3.43Å; I227-L230 PolarHBondContact O-N 2.84Å; I227-L231 HydrophobicContact CG2-CD1 4.41Å; I227-L231 WeakPolarHBondContact O-CG 3.38Å; I227-L231 PolarHBondContact O-N 3.26Å
228M83.9Confident79.1Confident114 Ų11468.4 Ų68.456%0.56239%0.389SS*.Hα-helixtrans-62.9-41.2177.2-69.8-168.6-58.400111.7I224 Q225 L230 L231 H232I224-M228 HydrophobicContact CG2-CE 4.01Å; I224-M228 HydrophobicContact CG2-CG 4.37Å; I224-M228 HydrophobicContact CG2-SD 4.3Å; I224-M228 WeakPolarHBondContact O-CG 3.39Å; I224-M228 PolarHBondContact O-N 3.4Å; Q225-M228 PolarHBondContact O-N 3.14Å; M228-L230 VanDerWaalsContact C-N 3.33Å; M228-L231 PolarHBondContact O-N 2.81Å; M228-H232 WeakPolarHBondContact O-CB 3.1Å; M228-H232 PolarHBondContact O-N 3.1Å
229G83.6Confident79.8Confident8 Ų867.9 Ų67.98%0.08239%0.388CS..Hα-helixtrans-61.9-41174.200000112.5Q225 Y226 I227 H232 L233Q225-G229 PolarHBondContact O-N 3.13Å; Y226-G229 PolarHBondContact O-N 3.39Å; I227-G229 VanDerWaalsContact C-N 3.32Å; I227-G229 PolarHBondContact O-N 2.99Å; G229-H232 PolarHBondContact O-N 3.46Å; G229-L233 VanDerWaalsContact O-CG 3.31Å; G229-L233 WeakPolarHBondContact O-CG 3.09Å; G229-L233 PolarHBondContact O-N 3.26Å
230L83.6Confident80.2Confident8 Ų870 Ų704%0.04239%0.392CS..Hα-helixtrans-60.5-47.1175.7170.258.7000111.4I148 A149 L152 L153 M188 Y226 I227 M228 H232 L233 F234I148-L230 HydrophobicContact CG2-CD2 3.87Å; A149-L230 HydrophobicContact CB-CD1 3.73Å; A149-L230 HydrophobicContact CB-CD2 4.05Å; L152-L230 HydrophobicContact CB-CD1 4.35Å; L152-L230 HydrophobicContact CD1-CD1 4.22Å; L152-L230 HydrophobicContact CD1-CD2 4.2Å; L152-L230 HydrophobicContact CD1-CG 4.09Å; L153-L230 HydrophobicContact CD1-CD1 3.5Å; L153-L230 VanDerWaalsContact CD1-CD1 3.5Å; L153-L230 HydrophobicContact CD2-CD1 4.06Å; L153-L230 HydrophobicContact CG-CD1 3.61Å; M188-L230 HydrophobicContact CE-CB 3.92Å; M188-L230 HydrophobicContact SD-CB 4.09Å; M188-L230 HydrophobicContact SD-CD1 4.17Å; Y226-L230 WeakPolarHBondContact O-CB 3.49Å; Y226-L230 PolarHBondContact O-N 3.34Å; I227-L230 WeakPolarHBondContact O-CB 3.43Å; I227-L230 PolarHBondContact O-N 2.84Å; M228-L230 VanDerWaalsContact C-N 3.33Å; L230-H232 VanDerWaalsContact C-N 3.35Å; L230-L233 PolarHBondContact O-N 3.35Å; L230-F234 WeakPolarHBondContact O-CB 3.42Å; L230-F234 PolarHBondContact O-N 2.6Å
231L84.9Confident80.7Confident97 Ų9771.2 Ų71.251%0.50839%0.386SS..Hα-helixtrans-64-40.2177.1-68.2174000112I227 M228 F234 C235I227-L231 HydrophobicContact CG2-CD1 4.41Å; I227-L231 WeakPolarHBondContact O-CG 3.38Å; I227-L231 PolarHBondContact O-N 3.26Å; M228-L231 PolarHBondContact O-N 2.81Å; L231-F234 PolarHBondContact O-N 3.08Å; L231-C235 PolarHBondContact O-N 2.92Å; L231-C235 VanDerWaalsContact O-N 3.13Å; L231-C235 PolarHBondContact O-SG 3.21Å; L231-C235 VanDerWaalsContact O-SG 3.35Å
232H86.1Confident81.1Confident97 Ų9770.1 Ų70.145%0.44938%0.375SS..Hα-helixtrans-62.2-47.5176.3179.367000112M228 G229 L230 F234 C235 T236M228-H232 WeakPolarHBondContact O-CB 3.1Å; M228-H232 PolarHBondContact O-N 3.1Å; G229-H232 PolarHBondContact O-N 3.46Å; L230-H232 VanDerWaalsContact C-N 3.35Å; H232-F234 VanDerWaalsContact C-N 3.32Å; H232-F234 PolarHBondContact O-N 3.09Å; H232-C235 PolarHBondContact O-N 3.18Å; H232-T236 WeakPolarHBondContact O-CG2 3.49Å; H232-T236 PolarHBondContact O-N 2.88Å; H232-T236 PolarHBondContact O-OG1 3.06Å
233L84.1Confident81.5Confident4 Ų471.1 Ų71.12%0.02138%0.383CS..Hα-helixtrans-62.8-40177.2-69.1175000111.6L153 M188 E189 V192 G229 L230 C235 T236 C237L153-L233 HydrophobicContact CD1-CB 4.25Å; L153-L233 HydrophobicContact CD1-CD1 4.29Å; L153-L233 HydrophobicContact CD2-CB 3.98Å; M188-L233 HydrophobicContact CE-CD1 3.96Å; M188-L233 HydrophobicContact CG-CD1 4.06Å; M188-L233 HydrophobicContact SD-CD1 4.43Å; E189-L233 HydrophobicContact CB-CD1 3.99Å; E189-L233 HydrophobicContact CB-CD2 4.16Å; E189-L233 HydrophobicContact CG-CD2 3.84Å; V192-L233 HydrophobicContact CB-CD1 4.46Å; V192-L233 HydrophobicContact CG2-CD1 4.27Å; G229-L233 VanDerWaalsContact O-CG 3.31Å; G229-L233 WeakPolarHBondContact O-CG 3.09Å; G229-L233 PolarHBondContact O-N 3.26Å; L230-L233 PolarHBondContact O-N 3.35Å; L233-C235 PolarHBondContact O-N 3.01Å; L233-T236 WeakPolarHBondContact CA-OG1 3.19Å; L233-T236 PolarHBondContact O-N 3.47Å; L233-T236 VanDerWaalsContact O-N 3.15Å; L233-T236 PolarHBondContact O-OG1 3.08Å; L233-C237 VanDerWaalsContact O-CB 3.32Å; L233-C237 WeakPolarHBondContact O-CB 2.97Å; L233-C237 PolarHBondContact O-N 3.08Å
234F82.8Confident81.9Confident98 Ų9871.4 Ų71.443%0.4339%0.386SS..Hα-helixtrans-60.9-33.4176177.6-107.5000112.9L152 L153 L230 L231 H232L152-F234 HydrophobicContact CB-CD2 3.73Å; L152-F234 HydrophobicContact CB-CE2 4.27Å; L152-F234 HydrophobicContact CB-CG 4.29Å; L152-F234 HydrophobicContact CD2-CD2 3.96Å; L152-F234 HydrophobicContact CD2-CE2 3.84Å; L152-F234 HydrophobicContact CD2-CG 4.34Å; L152-F234 HydrophobicContact CD2-CZ 4.13Å; L152-F234 HydrophobicContact CG-CD2 4.36Å; L152-F234 VanDerWaalsContact O-CD2 3.31Å; L152-F234 WeakPolarHBondContact O-CD2 3.35Å; L153-F234 HydrophobicContact CD2-CB 3.9Å; L230-F234 WeakPolarHBondContact O-CB 3.42Å; L230-F234 PolarHBondContact O-N 2.6Å; L231-F234 PolarHBondContact O-N 3.08Å; H232-F234 VanDerWaalsContact C-N 3.32Å; H232-F234 PolarHBondContact O-N 3.09Å
235C81.5Confident82.2Confident104 Ų10469.2 Ų69.270%0.70338%0.377SS*.Hα-helixtrans-84.3-12.2178.1-670000114L231 H232 L233L231-C235 PolarHBondContact O-N 2.92Å; L231-C235 VanDerWaalsContact O-N 3.13Å; L231-C235 PolarHBondContact O-SG 3.21Å; L231-C235 VanDerWaalsContact O-SG 3.35Å; H232-C235 PolarHBondContact O-N 3.18Å; L233-C235 PolarHBondContact O-N 3.01Å
236T80.5Confident82.1Confident85 Ų8568.2 Ų68.252%0.52138%0.376SS..Hα-helixtrans-120.2-14.8-171.252.20000114.6H232 L233H232-T236 WeakPolarHBondContact O-CG2 3.49Å; H232-T236 PolarHBondContact O-N 2.88Å; H232-T236 PolarHBondContact O-OG1 3.06Å; L233-T236 WeakPolarHBondContact CA-OG1 3.19Å; L233-T236 PolarHBondContact O-N 3.47Å; L233-T236 VanDerWaalsContact O-N 3.15Å; L233-T236 PolarHBondContact O-OG1 3.08Å
237C70.7Confident82.2Confident104 Ų10473.2 Ų73.270%0.70341%0.406SS*.  trans-104.80174.4-61.90000110.5V192 L233V192-C237 HydrophobicContact CG1-CB 4.38Å; L233-C237 VanDerWaalsContact O-CB 3.32Å; L233-C237 WeakPolarHBondContact O-CB 2.97Å; L233-C237 PolarHBondContact O-N 3.08Å

Retrieved 237 of 237 residues in 85.3 ms (Link to these results)

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