A0A060YN72_ONCMY Loading...

Serine and arginine rich splicing factor 11

AlphaFold DB , UniProt , Accession A0A060YN72, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene srsf11, Length 463 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
1M68.6Low88.3Confident205 Ų20536 Ų36100%1.0119%0.188SC*.  0157.90-70.3175.2179.900108.1P56M1-P56 HydrophobicContact CB-CB 3.66Å; M1-P56 HydrophobicContact CG-CB 4.5Å; M1-P56 HydrophobicContact SD-CB 4.11Å
2T85Confident88.2Confident40 Ų4036.2 Ų36.225%0.24519%0.193CC..  trans-83.8135.5176.652.80000110V59 F80T2-V59 VanDerWaalsContact O-CG2 3.26Å; T2-V59 WeakPolarHBondContact O-CG2 3.33Å; T2-F80 WeakPolarHBondContact CB-O 3.33Å; T2-F80 VanDerWaalsContact CG2-O 3.27Å; T2-F80 WeakPolarHBondContact CG2-O 3.43Å
3N89.2Confident88.1Confident48 Ų4840.3 Ų40.326%0.25723%0.226SC..  trans-95.7-5176.3-69.615.7000113.2F53 P56N3-F53 WeakPolarHBondContact CB-O 3.39Å; N3-F53 PolarHBondContact O-N 3.39Å; N3-P56 WeakPolarHBondContact OD1-CB 3.36Å
4V91.1Very high88.1Confident0 Ų037.4 Ų37.40%021%0.21CC..EExtended strand (participates in β ladder)trans-105.2136-178.3-178.40000110.5V51 K52 F80 G83 I85V4-V51 CarbonylContact C-O 3.59Å; V4-V51 WeakPolarHBondContact CA-O 3.11Å; V4-K52 HydrophobicContact CG2-CB 4.07Å; V4-K52 HydrophobicContact CG2-CG 3.94Å; V4-F80 HydrophobicContact CB-CB 4.17Å; V4-F80 HydrophobicContact CG1-CB 3.91Å; V4-F80 HydrophobicContact CG1-CD1 4.15Å; V4-F80 HydrophobicContact CG1-CG 4.43Å; V4-F80 PolarHBondContact O-N 3.38Å; V4-G83 VanDerWaalsContact CG2-O 3.23Å; V4-G83 WeakPolarHBondContact CG2-O 3.07Å; V4-I85 HydrophobicContact CG1-CG1 4.42Å
5I92Very high88.2Confident0 Ų038.1 Ų38.10%022%0.216CC..EExtended strand (participates in β ladder)trans-109.4147.9165.256.1166.8000111.3V7 F23 F50 V51 F53 V59 V77I5-V7 HydrophobicContact CD1-CG2 3.7Å; I5-V7 HydrophobicContact CG1-CG2 4.22Å; I5-F23 HydrophobicContact CD1-CD1 3.68Å; I5-F23 HydrophobicContact CD1-CE1 3.44Å; I5-F23 VanDerWaalsContact CD1-CE1 3.44Å; I5-F23 HydrophobicContact CD1-CG 4.33Å; I5-F23 HydrophobicContact CD1-CZ 3.94Å; I5-F50 WeakPolarHBondContact O-CA 3.49Å; I5-V51 HydrophobicContact CD1-CB 3.97Å; I5-V51 HydrophobicContact CD1-CG2 3.99Å; I5-V51 HydrophobicContact CG1-CB 3.64Å; I5-V51 HydrophobicContact CG1-CG2 4.02Å; I5-V51 PolarHBondContact N-O 3.49Å; I5-V51 PolarHBondContact O-N 3.35Å; I5-F53 HydrophobicContact CD1-CE2 3.67Å; I5-F53 HydrophobicContact CD1-CZ 4.12Å; I5-F53 HydrophobicContact CG1-CE2 3.81Å; I5-F53 HydrophobicContact CG2-CE2 4.34Å; I5-V59 HydrophobicContact CG2-CB 4.18Å; I5-V59 HydrophobicContact CG2-CG1 3.74Å; I5-V59 HydrophobicContact CG2-CG2 4.03Å; I5-V77 HydrophobicContact CB-CG1 4Å; I5-V77 HydrophobicContact CD1-CG1 3.94Å; I5-V77 HydrophobicContact CG2-CG1 3.97Å
6Q91.7Very high88.3Confident24 Ų2438.1 Ų38.111%0.11222%0.219CC..EExtended strand (participates in β ladder)trans-104128.8163.9179.9-171.7-12.300108.7T8 V48 F50 V77 V78Q6-T8 HydrophobicContact CG-CG2 4.03Å; Q6-V48 HydrophobicContact CG-CG2 4.02Å; Q6-F50 HydrophobicContact CB-CD1 4.08Å; Q6-F50 HydrophobicContact CB-CE1 3.73Å; Q6-F50 HydrophobicContact CB-CZ 4.47Å; Q6-F50 HydrophobicContact CG-CD1 4.31Å; Q6-F50 HydrophobicContact CG-CE1 3.63Å; Q6-F50 HydrophobicContact CG-CZ 3.86Å; Q6-V77 WeakPolarHBondContact O-CA 3.33Å; Q6-V78 PolarHBondContact N-O 3.03Å; Q6-V78 PolarHBondContact O-N 3.12Å
7V92.1Very high88.4Confident0 Ų044.2 Ų44.20%025%0.245CC..EExtended strand (participates in β ladder)trans-118.1105.5178.8-169.20000108.6I5 V10 M19 F23 V48 C49 V51 L75 I76 V77I5-V7 HydrophobicContact CD1-CG2 3.7Å; I5-V7 HydrophobicContact CG1-CG2 4.22Å; V7-V10 HydrophobicContact CB-CG2 4.38Å; V7-V10 HydrophobicContact CG1-CG2 3.9Å; V7-V10 WeakPolarHBondContact O-CG2 3.43Å; V7-M19 HydrophobicContact CB-CE 4.22Å; V7-M19 HydrophobicContact CG1-CE 3.92Å; V7-F23 HydrophobicContact CB-CZ 4.41Å; V7-F23 HydrophobicContact CG1-CE2 4.38Å; V7-F23 HydrophobicContact CG1-CZ 4.1Å; V7-F23 HydrophobicContact CG2-CE1 4.29Å; V7-F23 HydrophobicContact CG2-CE2 3.78Å; V7-F23 HydrophobicContact CG2-CZ 3.48Å; V7-F23 VanDerWaalsContact CG2-CZ 3.48Å; V7-V48 CarbonylContact O-C 3.56Å; V7-V48 WeakPolarHBondContact O-CA 3.31Å; V7-V48 WeakPolarHBondContact O-CG2 3.32Å; V7-C49 HydrophobicContact CB-CB 4.27Å; V7-C49 PolarHBondContact N-O 3.37Å; V7-C49 PolarHBondContact O-N 3Å; V7-V51 HydrophobicContact CG2-CG2 4.49Å; V7-L75 HydrophobicContact CG1-CB 4.26Å; V7-L75 HydrophobicContact CG1-CD1 4.47Å; V7-L75 HydrophobicContact CG1-CD2 4.08Å; V7-I76 CarbonylContact C-O 3.52Å; V7-I76 WeakPolarHBondContact CA-O 3.49Å; V7-V77 HydrophobicContact CG1-CG2 4.23Å; V7-V77 HydrophobicContact CG2-CG2 4.33Å
8T91.1Very high88.6Confident22 Ų2245.9 Ų45.914%0.13525%0.251CS..EExtended strand (participates in β ladder)trans-99.9170.5177.961.30000111.8Q6 V10 V48 I76Q6-T8 HydrophobicContact CG-CG2 4.03Å; T8-V10 PolarHBondContact O-N 2.9Å; T8-V48 HydrophobicContact CG2-CG2 3.93Å; T8-I76 PolarHBondContact N-O 3.5Å; T8-I76 PolarHBondContact O-N 3.32Å; T8-I76 WeakPolarHBondContact OG1-CB 3.29Å
9N90.6Very high88.8Confident56 Ų5643.5 Ų43.530%0.29924%0.238SC..EExtended strand (participates in β ladder)trans6029.9-177.1-166.140.5000114.2R73 A74 I76N9-R73 WeakPolarHBondContact O-CB 3.32Å; N9-A74 PolarHBondContact ND2-O 3.03Å; N9-I76 HydrophobicContact CB-CD1 4.19Å; N9-I76 HydrophobicContact CB-CG1 4.45Å
10V90.9Very high89Confident0 Ų047 Ų470%025%0.247CC..EExtended strand (participates in β ladder)trans-68.4144.2174.4-175.70000109.2V7 T8 T14 M19 R47 C49 L75V7-V10 HydrophobicContact CB-CG2 4.38Å; V7-V10 HydrophobicContact CG1-CG2 3.9Å; V7-V10 WeakPolarHBondContact O-CG2 3.43Å; T8-V10 PolarHBondContact O-N 2.9Å; V10-T14 HydrophobicContact CG1-CG2 3.74Å; V10-M19 HydrophobicContact CB-CE 4.43Å; V10-M19 HydrophobicContact CG1-CE 3.94Å; V10-M19 HydrophobicContact CG1-SD 3.93Å; V10-M19 HydrophobicContact CG2-CE 3.55Å; V10-R47 HydrophobicContact CB-CB 3.92Å; V10-R47 WeakPolarHBondContact CB-O 3.4Å; V10-R47 HydrophobicContact CG1-CB 4.25Å; V10-R47 PolarHBondContact N-O 3.12Å; V10-R47 PolarHBondContact O-N 3.48Å; V10-C49 HydrophobicContact CG2-CB 4.37Å; V10-L75 HydrophobicContact CG2-CD2 4.09Å
11S89.3Confident89.1Confident1 Ų148.6 Ų48.61%0.00726%0.259CS..  trans-61.6139.3177.2-178.60000111.4S13 T14 D72S11-S13 PolarHBondContact O-N 2.83Å; S11-S13 PolarHBondContact OG-N 3.11Å; S11-T14 WeakPolarHBondContact CB-OG1 3.31Å; S11-T14 WeakPolarHBondContact O-CB 3.45Å; S11-T14 PolarHBondContact O-N 3.15Å; S11-T14 VanDerWaalsContact O-N 3.12Å; S11-D72 WeakPolarHBondContact CB-OD1 3.47Å; S11-D72 PolarHBondContact OG-OD1 3.32Å
12P87Confident90.2Very high38 Ų3840.1 Ų40.125%0.24722%0.217CC..THydrogen-bonded Turntrans-66.1-12.4171.430.5-36.3000113.3V44 R47P12-V44 HydrophobicContact CB-CB 4.48Å; P12-V44 VanDerWaalsContact CB-O 3.23Å; P12-V44 WeakPolarHBondContact CB-O 3.34Å; P12-R47 VanDerWaalsContact O-CZ 3.24Å; P12-R47 PolarHBondContact O-NE 3.35Å; P12-R47 PolarHBondContact O-NH1 2.94Å
13S86.6Confident90.6Very high90 Ų9038.2 Ų38.263%0.62921%0.206SC*.THydrogen-bonded Turntrans-96.30.8174.4-550000113.9S11S11-S13 PolarHBondContact O-N 2.83Å; S11-S13 PolarHBondContact OG-N 3.11Å
14T88.6Confident90.7Very high0 Ų037.9 Ų37.90%021%0.214CC..  trans-87.6127.6177-75.40000110.9V10 S11 Q18 M19 R47 F70 V71V10-T14 HydrophobicContact CG1-CG2 3.74Å; S11-T14 WeakPolarHBondContact CB-OG1 3.31Å; S11-T14 WeakPolarHBondContact O-CB 3.45Å; S11-T14 PolarHBondContact O-N 3.15Å; S11-T14 VanDerWaalsContact O-N 3.12Å; T14-Q18 HydrophobicContact CG2-CB 4.26Å; T14-M19 HydrophobicContact CG2-CG 3.54Å; T14-M19 HydrophobicContact CG2-SD 3.62Å; T14-R47 PolarHBondContact O-NH1 3.48Å; T14-F70 HydrophobicContact CG2-CD1 4.05Å; T14-F70 HydrophobicContact CG2-CE1 3.68Å; T14-F70 WeakPolarHBondContact OG1-CD1 3.49Å; T14-V71 VanDerWaalsContact OG1-CG2 3.29Å; T14-V71 WeakPolarHBondContact OG1-CG2 3.45Å
15T89.9Confident90.7Very high48 Ų4846 Ų4629%0.29425%0.249SC..  trans-85.1158.4176.264.40000112.7E17 Q18 M19 D38T15-E17 VanDerWaalsContact C-N 3.31Å; T15-E17 PolarHBondContact O-N 3.17Å; T15-Q18 WeakPolarHBondContact O-CB 3.4Å; T15-Q18 PolarHBondContact O-N 3.48Å; T15-Q18 WeakPolarHBondContact OG1-CG 3.47Å; T15-Q18 PolarHBondContact OG1-N 3.11Å; T15-M19 PolarHBondContact O-N 3.28Å; T15-D38 WeakPolarHBondContact CA-OD1 3.48Å
16S89.1Confident90.6Very high38 Ų3847.9 Ų47.927%0.26626%0.259SS..Hα-helixtrans-53.9-41.8170.749.80000113.4Q18 M19 R20 D38S16-Q18 PolarHBondContact O-N 3.01Å; S16-M19 PolarHBondContact O-N 3.47Å; S16-R20 WeakPolarHBondContact O-CG 3.44Å; S16-R20 PolarHBondContact O-N 3.05Å; S16-D38 WeakPolarHBondContact CB-OD2 3.35Å; S16-D38 PolarHBondContact N-OD2 2.87Å; S16-D38 PolarHBondContact OG-OD2 3.1Å
17E90.5Very high90.5Very high142 Ų14247.4 Ų47.466%0.66426%0.261SS*.Hα-helixtrans-60.5-40.4175.1-65.8-176.5161.900113.4T15 M19 R20 T21T15-E17 VanDerWaalsContact C-N 3.31Å; T15-E17 PolarHBondContact O-N 3.17Å; E17-M19 VanDerWaalsContact C-N 3.3Å; E17-M19 PolarHBondContact O-N 2.99Å; E17-R20 PolarHBondContact O-N 3.21Å; E17-T21 WeakPolarHBondContact O-CB 3.26Å; E17-T21 PolarHBondContact O-N 2.94Å; E17-T21 PolarHBondContact O-OG1 2.94Å
18Q92Very high90.5Very high75 Ų7552.7 Ų52.735%0.3529%0.289SS..Hα-helixtrans-64.2-38.8177.3-75.3172.912.400111.2T14 T15 S16 T21 L22 F70T14-Q18 HydrophobicContact CG2-CB 4.26Å; T15-Q18 WeakPolarHBondContact O-CB 3.4Å; T15-Q18 PolarHBondContact O-N 3.48Å; T15-Q18 WeakPolarHBondContact OG1-CG 3.47Å; T15-Q18 PolarHBondContact OG1-N 3.11Å; S16-Q18 PolarHBondContact O-N 3.01Å; Q18-T21 PolarHBondContact O-N 2.95Å; Q18-L22 WeakPolarHBondContact O-CB 3.4Å; Q18-L22 PolarHBondContact O-N 3.11Å; Q18-F70 HydrophobicContact CB-CE1 4.06Å; Q18-F70 HydrophobicContact CB-CZ 4Å
19M92Very high90.6Very high0 Ų053.6 Ų53.60%029%0.292CS..Hα-helixtrans-67.9-44175-62.9-67.3-81.700111.1V7 V10 T14 T15 S16 E17 T21 L22 F23 L32 L34 C49 F70V7-M19 HydrophobicContact CB-CE 4.22Å; V7-M19 HydrophobicContact CG1-CE 3.92Å; V10-M19 HydrophobicContact CB-CE 4.43Å; V10-M19 HydrophobicContact CG1-CE 3.94Å; V10-M19 HydrophobicContact CG1-SD 3.93Å; V10-M19 HydrophobicContact CG2-CE 3.55Å; T14-M19 HydrophobicContact CG2-CG 3.54Å; T14-M19 HydrophobicContact CG2-SD 3.62Å; T15-M19 PolarHBondContact O-N 3.28Å; S16-M19 PolarHBondContact O-N 3.47Å; E17-M19 VanDerWaalsContact C-N 3.3Å; E17-M19 PolarHBondContact O-N 2.99Å; M19-T21 VanDerWaalsContact C-N 3.3Å; M19-T21 PolarHBondContact O-N 3.31Å; M19-L22 PolarHBondContact O-N 3.46Å; M19-F23 HydrophobicContact CE-CE2 3.79Å; M19-F23 WeakPolarHBondContact O-CD2 3.45Å; M19-F23 PolarHBondContact O-N 2.93Å; M19-F23 HydrophobicContact SD-CE2 4.43Å; M19-L32 HydrophobicContact CB-CD1 3.87Å; M19-L32 HydrophobicContact CB-CD2 4.4Å; M19-L34 HydrophobicContact CG-CD1 3.93Å; M19-C49 HydrophobicContact CE-CB 3.5Å; M19-C49 VanDerWaalsContact CE-CB 3.5Å; M19-F70 HydrophobicContact SD-CD1 4.49Å; M19-F70 HydrophobicContact SD-CE1 4.47Å
20R91.9Very high90.6Very high113 Ų11356 Ų5643%0.42630%0.302SS..Hα-helixtrans-57.2-43.3173.5-73177.9177.1-96.5-0.2111.5S16 E17 G24 I29 L32S16-R20 WeakPolarHBondContact O-CG 3.44Å; S16-R20 PolarHBondContact O-N 3.05Å; E17-R20 PolarHBondContact O-N 3.21Å; R20-G24 WeakPolarHBondContact O-CA 3.5Å; R20-G24 PolarHBondContact O-N 3.1Å; R20-I29 HydrophobicContact CB-CD1 4.48Å; R20-I29 VanDerWaalsContact O-CD1 3.27Å; R20-I29 WeakPolarHBondContact O-CD1 3.38Å; R20-L32 HydrophobicContact CB-CD1 4.42Å; R20-L32 HydrophobicContact CG-CB 3.92Å; R20-L32 HydrophobicContact CG-CD1 3.71Å; R20-L32 HydrophobicContact CG-CD2 3.99Å; R20-L32 HydrophobicContact CG-CG 4.08Å; R20-L32 PolarHBondContact NH2-O 3.02Å
21T92.3Very high90.6Very high81 Ų8159 Ų5950%0.49732%0.316SS..Hα-helixtrans-66.7-44.6178-52.70000111.6E17 Q18 M19 G24 F25E17-T21 WeakPolarHBondContact O-CB 3.26Å; E17-T21 PolarHBondContact O-N 2.94Å; E17-T21 PolarHBondContact O-OG1 2.94Å; Q18-T21 PolarHBondContact O-N 2.95Å; M19-T21 VanDerWaalsContact C-N 3.3Å; M19-T21 PolarHBondContact O-N 3.31Å; T21-G24 PolarHBondContact O-N 3.24Å; T21-F25 HydrophobicContact CG2-CE2 3.82Å; T21-F25 HydrophobicContact CG2-CZ 4.14Å; T21-F25 WeakPolarHBondContact O-CD2 3.41Å; T21-F25 WeakPolarHBondContact O-CE2 3.24Å; T21-F25 PolarHBondContact O-N 3.29Å
22L92.1Very high90.7Very high26 Ų2659.3 Ų59.314%0.13632%0.318CS..Hα-helixtrans-64-47.5-179.4174.1140.7000112.2Q18 M19 L26 L65 F70 L75Q18-L22 WeakPolarHBondContact O-CB 3.4Å; Q18-L22 PolarHBondContact O-N 3.11Å; M19-L22 PolarHBondContact O-N 3.46Å; L22-L26 VanDerWaalsContact O-CD1 3.29Å; L22-L26 WeakPolarHBondContact O-CD1 3.22Å; L22-L65 HydrophobicContact CD2-CD1 3.76Å; L22-L65 HydrophobicContact CG-CD1 4.48Å; L22-F70 HydrophobicContact CB-CE2 4.44Å; L22-F70 HydrophobicContact CD1-CD2 3.27Å; L22-F70 HydrophobicContact CD1-CE2 3.4Å; L22-F70 HydrophobicContact CD1-CG 3.93Å; L22-F70 HydrophobicContact CD1-CZ 4.14Å; L22-L75 HydrophobicContact CD1-CD1 4.37Å; L22-L75 HydrophobicContact CD2-CD1 4.28Å
23F92.6Very high90.7Very high0 Ų061.8 Ų61.80%032%0.324CS..Hα-helixtrans-78-23.2178.8-71.6-70.9000112.8I5 V7 M19 F25 L26 G27 I29 V51 F53 L65 V77I5-F23 HydrophobicContact CD1-CD1 3.68Å; I5-F23 HydrophobicContact CD1-CE1 3.44Å; I5-F23 VanDerWaalsContact CD1-CE1 3.44Å; I5-F23 HydrophobicContact CD1-CG 4.33Å; I5-F23 HydrophobicContact CD1-CZ 3.94Å; V7-F23 HydrophobicContact CB-CZ 4.41Å; V7-F23 HydrophobicContact CG1-CE2 4.38Å; V7-F23 HydrophobicContact CG1-CZ 4.1Å; V7-F23 HydrophobicContact CG2-CE1 4.29Å; V7-F23 HydrophobicContact CG2-CE2 3.78Å; V7-F23 HydrophobicContact CG2-CZ 3.48Å; V7-F23 VanDerWaalsContact CG2-CZ 3.48Å; M19-F23 HydrophobicContact CE-CE2 3.79Å; M19-F23 WeakPolarHBondContact O-CD2 3.45Å; M19-F23 PolarHBondContact O-N 2.93Å; M19-F23 HydrophobicContact SD-CE2 4.43Å; F23-F25 PolarHBondContact O-N 3.23Å; F23-L26 WeakPolarHBondContact O-CB 3.28Å; F23-L26 PolarHBondContact O-N 2.64Å; F23-G27 PolarHBondContact O-N 3.42Å; F23-I29 HydrophobicContact CB-CD1 3.73Å; F23-I29 HydrophobicContact CB-CG1 4.36Å; F23-V51 HydrophobicContact CB-CG1 4.29Å; F23-V51 HydrophobicContact CD2-CG2 3.9Å; F23-V51 HydrophobicContact CE2-CG2 4.32Å; F23-V51 HydrophobicContact CG-CG2 4.23Å; F23-F53 HydrophobicContact CB-CE1 4.19Å; F23-F53 HydrophobicContact CB-CZ 3.95Å; F23-F53 AromaticContact CD1-CZ 3.96Å; F23-F53 HydrophobicContact CD1-CZ 3.96Å; F23-F53 HydrophobicContact CG-CZ 4.3Å; F23-L65 HydrophobicContact CD1-CD1 4.19Å; F23-L65 HydrophobicContact CE1-CD1 3.75Å; F23-L65 HydrophobicContact CZ-CD1 4.38Å; F23-V77 HydrophobicContact CE1-CG2 4.47Å; F23-V77 HydrophobicContact CZ-CG2 4.35Å
24G91.5Very high90.9Very high41 Ų4158.1 Ų58.142%0.42330%0.298SS..Hα-helixtrans-66.1-22173.400000113.9R20 T21 L26R20-G24 WeakPolarHBondContact O-CA 3.5Å; R20-G24 PolarHBondContact O-N 3.1Å; T21-G24 PolarHBondContact O-N 3.24Å; G24-L26 PolarHBondContact O-N 3.26Å
25F90.6Very high90.7Very high171 Ų17158.8 Ų58.875%0.7530%0.301SS*.THydrogen-bonded Turntrans-74.7-12.3168.9-67.2-57.5000113.9T21 F23T21-F25 HydrophobicContact CG2-CE2 3.82Å; T21-F25 HydrophobicContact CG2-CZ 4.14Å; T21-F25 WeakPolarHBondContact O-CD2 3.41Å; T21-F25 WeakPolarHBondContact O-CE2 3.24Å; T21-F25 PolarHBondContact O-N 3.29Å; F23-F25 PolarHBondContact O-N 3.23Å
26L89.5Confident90.3Very high39 Ų3957.6 Ų57.620%0.20429%0.294CS..THydrogen-bonded Turntrans-102.9-27.3-178.8-79.976.6000112.5L22 F23 G24 V61 S62 L65L22-L26 VanDerWaalsContact O-CD1 3.29Å; L22-L26 WeakPolarHBondContact O-CD1 3.22Å; F23-L26 WeakPolarHBondContact O-CB 3.28Å; F23-L26 PolarHBondContact O-N 2.64Å; G24-L26 PolarHBondContact O-N 3.26Å; L26-V61 HydrophobicContact CB-CG1 4.4Å; L26-V61 HydrophobicContact CD2-CB 4.39Å; L26-V61 HydrophobicContact CD2-CG1 3.87Å; L26-V61 HydrophobicContact CG-CG1 3.98Å; L26-S62 VanDerWaalsContact CD2-CA 3.45Å; L26-L65 HydrophobicContact CD1-CD1 3.84Å; L26-L65 HydrophobicContact CD2-CD1 3.48Å; L26-L65 VanDerWaalsContact CD2-CD1 3.48Å; L26-L65 HydrophobicContact CD2-CD2 4.49Å; L26-L65 HydrophobicContact CD2-CG 3.79Å; L26-L65 HydrophobicContact CG-CD1 4.35Å
27G89.7Confident89.6Confident14 Ų1459 Ų5914%0.14430%0.302CS..SBendtrans176.8172.7176.900000113.2F23 I29 S58F23-G27 PolarHBondContact O-N 3.42Å; G27-I29 PolarHBondContact O-N 3.01Å; G27-S58 WeakPolarHBondContact CA-OG 3.46Å
28N92.9Very high88.5Confident111 Ų11154.8 Ų54.859%0.59428%0.284SS*.  trans-70116179.4-69.7-24.2000110.4F53 L54N28-F53 WeakPolarHBondContact O-CA 3.49Å; N28-L54 HydrophobicContact CB-CB 4.14Å; N28-L54 PolarHBondContact O-N 3.49Å
29I93Very high87Confident41 Ų4160.2 Ų60.221%0.2131%0.309CS..EExtended strand (participates in β ladder)trans-84.7125.2176.2-58.4174.4000108.9R20 F23 G27 E31 L32 V51 F53R20-I29 HydrophobicContact CB-CD1 4.48Å; R20-I29 VanDerWaalsContact O-CD1 3.27Å; R20-I29 WeakPolarHBondContact O-CD1 3.38Å; F23-I29 HydrophobicContact CB-CD1 3.73Å; F23-I29 HydrophobicContact CB-CG1 4.36Å; G27-I29 PolarHBondContact O-N 3.01Å; I29-E31 WeakPolarHBondContact CG2-O 3.37Å; I29-L32 HydrophobicContact CD1-CD1 4.42Å; I29-L32 HydrophobicContact CG2-CB 4.11Å; I29-V51 HydrophobicContact CB-CG1 4.36Å; I29-V51 HydrophobicContact CD1-CG1 3.96Å; I29-V51 HydrophobicContact CG1-CG1 3.84Å; I29-V51 HydrophobicContact CG2-CG1 3.71Å; I29-F53 HydrophobicContact CG1-CD1 4.23Å; I29-F53 HydrophobicContact CG1-CE1 3.98Å
30E91.6Very high85.5Confident107 Ų10761.8 Ų61.850%0.532%0.32SS..EExtended strand (participates in β ladder)trans-83.8-49.3170.8-167.9-168.3154.500110.2K52E30-K52 HydrophobicContact CB-CD 4.39Å; E30-K52 HydrophobicContact CB-CG 4.35Å; E30-K52 HydrophobicContact CG-CD 4.47Å; E30-K52 PolarHBondContact N-O 3.01Å; E30-K52 IonicContact OE1-NZ 3.75Å; E30-K52 PolarHBondContact OE1-NZ 3.06Å; E30-K52 VanDerWaalsContact OE2-CD 3.24Å; E30-K52 WeakPolarHBondContact OE2-CD 3.29Å; E30-K52 WeakPolarHBondContact OE2-CE 3.43Å; E30-K52 IonicContact OE2-NZ 3.24Å; E30-K52 PolarHBondContact OE2-NZ 3.47Å
31E89.8Confident83.8Confident63 Ų6362.3 Ų62.329%0.29434%0.341SS..EExtended strand (participates in β ladder)trans-142.4142.5-178.1-163.1-175.1172.400111.2I29 K33 K52 I85I29-E31 WeakPolarHBondContact CG2-O 3.37Å; E31-K33 WeakPolarHBondContact OE1-CD 3.21Å; E31-K33 WeakPolarHBondContact OE1-CE 3.42Å; E31-K33 IonicContact OE1-NZ 2.64Å; E31-K33 PolarHBondContact OE1-NZ 2.91Å; E31-K52 HydrophobicContact CB-CB 4.07Å; E31-K52 PolarHBondContact N-O 3.22Å; E31-K52 PolarHBondContact O-N 3.3Å; E31-I85 HydrophobicContact CB-CD1 3.89Å; E31-I85 HydrophobicContact CG-CD1 3.77Å
32L90.9Very high82.3Confident8 Ų864.7 Ų64.74%0.04235%0.35CS..EExtended strand (participates in β ladder)trans-140.3125.1172-176.8152.5000110.5M19 R20 I29 C49 F50 V51M19-L32 HydrophobicContact CB-CD1 3.87Å; M19-L32 HydrophobicContact CB-CD2 4.4Å; R20-L32 HydrophobicContact CB-CD1 4.42Å; R20-L32 HydrophobicContact CG-CB 3.92Å; R20-L32 HydrophobicContact CG-CD1 3.71Å; R20-L32 HydrophobicContact CG-CD2 3.99Å; R20-L32 HydrophobicContact CG-CG 4.08Å; R20-L32 PolarHBondContact NH2-O 3.02Å; I29-L32 HydrophobicContact CD1-CD1 4.42Å; I29-L32 HydrophobicContact CG2-CB 4.11Å; L32-C49 VanDerWaalsContact CG-SG 3.57Å; L32-F50 WeakPolarHBondContact CA-O 3.42Å; L32-V51 HydrophobicContact CB-CG1 4.45Å; L32-V51 HydrophobicContact CD1-CB 4.39Å; L32-V51 HydrophobicContact CD1-CG1 4.09Å; L32-V51 HydrophobicContact CD1-CG2 3.6Å; L32-V51 HydrophobicContact CG-CG2 4.04Å
33K88.6Confident80.8Confident89 Ų8969.4 Ų69.439%0.38738%0.382SS..EExtended strand (participates in β ladder)trans-120.8144174.1-76.3165.9164.5151.90109.8E31 F35 C49 F50 I85E31-K33 WeakPolarHBondContact OE1-CD 3.21Å; E31-K33 WeakPolarHBondContact OE1-CE 3.42Å; E31-K33 IonicContact OE1-NZ 2.64Å; E31-K33 PolarHBondContact OE1-NZ 2.91Å; K33-F35 HydrophobicContact CB-CE2 3.72Å; K33-F35 HydrophobicContact CB-CZ 3.83Å; K33-F35 HydrophobicContact CD-CZ 4.17Å; K33-F35 HydrophobicContact CG-CZ 4.36Å; K33-C49 CarbonylContact O-C 3.6Å; K33-C49 WeakPolarHBondContact O-CA 3.48Å; K33-C49 PolarHBondContact O-SG 2.94Å; K33-F50 PolarHBondContact N-O 3.28Å; K33-F50 PolarHBondContact O-N 3.48Å; K33-I85 HydrophobicContact CB-CG2 4.16Å; K33-I85 HydrophobicContact CD-CB 4.42Å; K33-I85 HydrophobicContact CD-CD1 4.35Å; K33-I85 HydrophobicContact CD-CG2 3.71Å; K33-I85 HydrophobicContact CG-CG2 4.47Å
34L89.1Confident79.9Confident13 Ų1370.6 Ų70.67%0.06839%0.39CS..EExtended strand (participates in β ladder)trans-132.3125.2-175.9175.8131.2000108.5M19 C49M19-L34 HydrophobicContact CG-CD1 3.93Å; L34-C49 HydrophobicContact CD1-CB 4.28Å
35F85.1Confident79.1Confident15 Ų1574 Ų747%0.06640%0.402CS..EExtended strand (participates in β ladder)trans-127.5135.4-172-59.5-69.1000111.2K33 V48 F50 E88 A91K33-F35 HydrophobicContact CB-CE2 3.72Å; K33-F35 HydrophobicContact CB-CZ 3.83Å; K33-F35 HydrophobicContact CD-CZ 4.17Å; K33-F35 HydrophobicContact CG-CZ 4.36Å; F35-V48 HydrophobicContact CB-CG1 3.96Å; F35-V48 PolarHBondContact N-O 2.87Å; F35-V48 PolarHBondContact O-N 3.37Å; F35-F50 HydrophobicContact CD2-CD2 4.01Å; F35-F50 HydrophobicContact CD2-CE2 4.29Å; F35-F50 HydrophobicContact CE2-CD2 4.16Å; F35-E88 HydrophobicContact CD1-CG 4.24Å; F35-E88 HydrophobicContact CE1-CB 4.37Å; F35-E88 HydrophobicContact CE1-CG 3.7Å; F35-E88 HydrophobicContact CZ-CG 4.37Å; F35-A91 HydrophobicContact CB-CB 3.99Å; F35-A91 HydrophobicContact CD2-CB 3.32Å; F35-A91 HydrophobicContact CE2-CB 3.85Å; F35-A91 HydrophobicContact CG-CB 3.76Å
36P81.6Confident78.7Confident23 Ų2366.6 Ų66.615%0.14937%0.372CS..SBendcis-62.3153.5-12.7-18.734.7000111.3S40 V44 L92 L95P36-S40 WeakPolarHBondContact CB-OG 3.4Å; P36-V44 HydrophobicContact CB-CG2 4.06Å; P36-V44 HydrophobicContact CG-CG1 4.04Å; P36-V44 HydrophobicContact CG-CG2 3.77Å; P36-L92 HydrophobicContact CG-CD2 4.03Å; P36-L95 HydrophobicContact CG-CD2 4.29Å
37P74.4Confident78.6Confident66 Ų6665.6 Ų65.643%0.42937%0.365SS..  trans-62.5156.8-17725-34.4000112.7E39 S40P37-E39 PolarHBondContact O-N 3.33Å; P37-E39 VanDerWaalsContact O-N 3.12Å; P37-S40 WeakPolarHBondContact O-CB 3.45Å; P37-S40 PolarHBondContact O-N 3.36Å; P37-S40 PolarHBondContact O-OG 3.43Å
38D66.7Low78.6Confident54 Ų5465 Ų6529%0.28936%0.359SS..THydrogen-bonded Turntrans-56.1-31.8-172-79.6-45000114T15 S16 R47T15-D38 WeakPolarHBondContact CA-OD1 3.48Å; S16-D38 WeakPolarHBondContact CB-OD2 3.35Å; S16-D38 PolarHBondContact N-OD2 2.87Å; S16-D38 PolarHBondContact OG-OD2 3.1Å; D38-R47 IonicContact OD1-CZ 3.37Å; D38-R47 IonicContact OD1-NH1 2.69Å; D38-R47 PolarHBondContact OD1-NH1 3.35Å; D38-R47 IonicContact OD1-NH2 2.9Å
39E61.1Low78.4Confident190 Ų19059.7 Ų59.789%0.88833%0.33SS*.THydrogen-bonded Turntrans-86.8-2.7-178.3-59.9-168.7144.300114.9P37 S41P37-E39 PolarHBondContact O-N 3.33Å; P37-E39 VanDerWaalsContact O-N 3.12Å; E39-S41 PolarHBondContact O-N 3Å; E39-S41 VanDerWaalsContact O-N 3.12Å
40S61.8Low78.4Confident33 Ų3357.7 Ų57.723%0.23132%0.32CS..  trans-66.5114.1178.357.20000111.2P36 P37 L42P36-S40 WeakPolarHBondContact CB-OG 3.4Å; P37-S40 WeakPolarHBondContact O-CB 3.45Å; P37-S40 PolarHBondContact O-N 3.36Å; P37-S40 PolarHBondContact O-OG 3.43Å; S40-L42 PolarHBondContact O-N 2.86Å; S40-L42 VanDerWaalsContact O-N 3.09Å
41S55.5Low78.4Confident124 Ų12452.6 Ų52.687%0.86730%0.296SS*.  trans-72.12.5-179.260.50000114.5E39E39-S41 PolarHBondContact O-N 3Å; E39-S41 VanDerWaalsContact O-N 3.12Å
42L60.8Low78.5Confident131 Ų13152 Ų5269%0.68629%0.293SS*.SBendtrans-77145.3178.2-63.9174.9000110.7S40 V44S40-L42 PolarHBondContact O-N 2.86Å; S40-L42 VanDerWaalsContact O-N 3.09Å; L42-V44 VanDerWaalsContact C-N 3.32Å; L42-V44 WeakPolarHBondContact O-CG2 3.48Å; L42-V44 PolarHBondContact O-N 3.32Å
43P60.1Low78.6Confident124 Ų12451.7 Ų51.781%0.80529%0.291SS*.  trans-71.585.7177.129.3-34.7000111.1T45P43-T45 PolarHBondContact O-N 3.07Å
44V72.8Confident78.8Confident26 Ų2652.6 Ų52.616%0.15830%0.3CS..  trans-71.3122.2177.9-177.60000110.4P12 P36 L42 S46 R47P12-V44 HydrophobicContact CB-CB 4.48Å; P12-V44 VanDerWaalsContact CB-O 3.23Å; P12-V44 WeakPolarHBondContact CB-O 3.34Å; P36-V44 HydrophobicContact CB-CG2 4.06Å; P36-V44 HydrophobicContact CG-CG1 4.04Å; P36-V44 HydrophobicContact CG-CG2 3.77Å; L42-V44 VanDerWaalsContact C-N 3.32Å; L42-V44 WeakPolarHBondContact O-CG2 3.48Å; L42-V44 PolarHBondContact O-N 3.32Å; V44-S46 WeakPolarHBondContact CG1-O 3.08Å; V44-R47 HydrophobicContact CG1-CG 3.76Å
45T76.2Confident78.9Confident111 Ų11156.4 Ų56.468%0.68132%0.317SS*.SBendtrans-82.9-25.4179.654.30000113.6P43 R73P43-T45 PolarHBondContact O-N 3.07Å; T45-R73 PolarHBondContact O-NH1 2.82Å; T45-R73 PolarHBondContact O-NH2 3.37Å
46S82.1Confident79.1Confident17 Ų1758 Ų5812%0.11933%0.329CS..  trans-158.7156.3174.842.90000109V44 L95V44-S46 WeakPolarHBondContact CG1-O 3.08Å; S46-L95 WeakPolarHBondContact O-CD1 3.41Å; S46-L95 WeakPolarHBondContact O-CD2 3.46Å
47R86.5Confident79.5Confident18 Ų1864.2 Ų64.27%0.06836%0.356CS..EExtended strand (participates in β ladder)trans-113.1157.1173-69.5173.2172.1-172.2-10.1111.2V10 P12 T14 D38 V44 L95V10-R47 HydrophobicContact CB-CB 3.92Å; V10-R47 WeakPolarHBondContact CB-O 3.4Å; V10-R47 HydrophobicContact CG1-CB 4.25Å; V10-R47 PolarHBondContact N-O 3.12Å; V10-R47 PolarHBondContact O-N 3.48Å; P12-R47 VanDerWaalsContact O-CZ 3.24Å; P12-R47 PolarHBondContact O-NE 3.35Å; P12-R47 PolarHBondContact O-NH1 2.94Å; T14-R47 PolarHBondContact O-NH1 3.48Å; D38-R47 IonicContact OD1-CZ 3.37Å; D38-R47 IonicContact OD1-NH1 2.69Å; D38-R47 PolarHBondContact OD1-NH1 3.35Å; D38-R47 IonicContact OD1-NH2 2.9Å; V44-R47 HydrophobicContact CG1-CG 3.76Å; R47-L95 VanDerWaalsContact C-CD1 3.46Å
48V89.2Confident80.3Confident0 Ų061.3 Ų61.30%034%0.337CS..EExtended strand (participates in β ladder)trans-118.3144.3167.262.10000108.6Q6 V7 T8 F35 F50 A91 L95Q6-V48 HydrophobicContact CG-CG2 4.02Å; V7-V48 CarbonylContact O-C 3.56Å; V7-V48 WeakPolarHBondContact O-CA 3.31Å; V7-V48 WeakPolarHBondContact O-CG2 3.32Å; T8-V48 HydrophobicContact CG2-CG2 3.93Å; F35-V48 HydrophobicContact CB-CG1 3.96Å; F35-V48 PolarHBondContact N-O 2.87Å; F35-V48 PolarHBondContact O-N 3.37Å; V48-F50 HydrophobicContact CG1-CE2 4.16Å; V48-F50 HydrophobicContact CG2-CD2 4.37Å; V48-F50 HydrophobicContact CG2-CE2 3.73Å; V48-F50 HydrophobicContact CG2-CZ 4.08Å; V48-A91 HydrophobicContact CG1-CB 4.28Å; V48-L95 HydrophobicContact CB-CD1 4.05Å; V48-L95 HydrophobicContact CG1-CB 4.21Å; V48-L95 HydrophobicContact CG1-CD1 4.33Å
49C90.5Very high81.5Confident0 Ų059.2 Ų59.20%033%0.326CS..EExtended strand (participates in β ladder)trans-130.4137.6177.2-178.20000109.6V7 V10 M19 L32 K33 L34V7-C49 HydrophobicContact CB-CB 4.27Å; V7-C49 PolarHBondContact N-O 3.37Å; V7-C49 PolarHBondContact O-N 3Å; V10-C49 HydrophobicContact CG2-CB 4.37Å; M19-C49 HydrophobicContact CE-CB 3.5Å; M19-C49 VanDerWaalsContact CE-CB 3.5Å; L32-C49 VanDerWaalsContact CG-SG 3.57Å; K33-C49 CarbonylContact O-C 3.6Å; K33-C49 WeakPolarHBondContact O-CA 3.48Å; K33-C49 PolarHBondContact O-SG 2.94Å; L34-C49 HydrophobicContact CD1-CB 4.28Å
50F91.9Very high82.8Confident0 Ų052 Ų520%030%0.302CS..EExtended strand (participates in β ladder)trans-111.8131.3172.8-67.5-90.8000108.5I5 Q6 L32 K33 F35 V48 F80 I85 P86 A91 L94I5-F50 WeakPolarHBondContact O-CA 3.49Å; Q6-F50 HydrophobicContact CB-CD1 4.08Å; Q6-F50 HydrophobicContact CB-CE1 3.73Å; Q6-F50 HydrophobicContact CB-CZ 4.47Å; Q6-F50 HydrophobicContact CG-CD1 4.31Å; Q6-F50 HydrophobicContact CG-CE1 3.63Å; Q6-F50 HydrophobicContact CG-CZ 3.86Å; L32-F50 WeakPolarHBondContact CA-O 3.42Å; K33-F50 PolarHBondContact N-O 3.28Å; K33-F50 PolarHBondContact O-N 3.48Å; F35-F50 HydrophobicContact CD2-CD2 4.01Å; F35-F50 HydrophobicContact CD2-CE2 4.29Å; F35-F50 HydrophobicContact CE2-CD2 4.16Å; V48-F50 HydrophobicContact CG1-CE2 4.16Å; V48-F50 HydrophobicContact CG2-CD2 4.37Å; V48-F50 HydrophobicContact CG2-CE2 3.73Å; V48-F50 HydrophobicContact CG2-CZ 4.08Å; F50-F80 HydrophobicContact CE1-CD2 4.24Å; F50-F80 HydrophobicContact CE1-CE2 4.33Å; F50-F80 HydrophobicContact CE1-CG 4.42Å; F50-I85 HydrophobicContact CB-CB 4.43Å; F50-I85 HydrophobicContact CB-CD1 4.34Å; F50-I85 HydrophobicContact CB-CG1 4.16Å; F50-I85 HydrophobicContact CB-CG2 3.66Å; F50-I85 HydrophobicContact CG-CG2 4.13Å; F50-P86 HydrophobicContact CD1-CG 3.95Å; F50-P86 HydrophobicContact CD2-CG 4.43Å; F50-P86 HydrophobicContact CE1-CG 3.49Å; F50-P86 VanDerWaalsContact CE1-CG 3.49Å; F50-P86 HydrophobicContact CE2-CG 4.04Å; F50-P86 HydrophobicContact CG-CG 4.4Å; F50-P86 HydrophobicContact CZ-CG 3.54Å; F50-A91 HydrophobicContact CD2-CB 4.41Å; F50-A91 HydrophobicContact CE2-CB 3.63Å; F50-A91 HydrophobicContact CZ-CB 4.4Å; F50-L94 HydrophobicContact CE1-CD1 4.46Å; F50-L94 HydrophobicContact CZ-CD1 3.96Å
51V91.8Very high84.3Confident0 Ų053.8 Ų53.80%031%0.312CS..EExtended strand (participates in β ladder)trans-127.4122.9-179.5-164.50000108.3V4 I5 V7 F23 I29 L32 F53V4-V51 CarbonylContact C-O 3.59Å; V4-V51 WeakPolarHBondContact CA-O 3.11Å; I5-V51 HydrophobicContact CD1-CB 3.97Å; I5-V51 HydrophobicContact CD1-CG2 3.99Å; I5-V51 HydrophobicContact CG1-CB 3.64Å; I5-V51 HydrophobicContact CG1-CG2 4.02Å; I5-V51 PolarHBondContact N-O 3.49Å; I5-V51 PolarHBondContact O-N 3.35Å; V7-V51 HydrophobicContact CG2-CG2 4.49Å; F23-V51 HydrophobicContact CB-CG1 4.29Å; F23-V51 HydrophobicContact CD2-CG2 3.9Å; F23-V51 HydrophobicContact CE2-CG2 4.32Å; F23-V51 HydrophobicContact CG-CG2 4.23Å; I29-V51 HydrophobicContact CB-CG1 4.36Å; I29-V51 HydrophobicContact CD1-CG1 3.96Å; I29-V51 HydrophobicContact CG1-CG1 3.84Å; I29-V51 HydrophobicContact CG2-CG1 3.71Å; L32-V51 HydrophobicContact CB-CG1 4.45Å; L32-V51 HydrophobicContact CD1-CB 4.39Å; L32-V51 HydrophobicContact CD1-CG1 4.09Å; L32-V51 HydrophobicContact CD1-CG2 3.6Å; L32-V51 HydrophobicContact CG-CG2 4.04Å; V51-F53 HydrophobicContact CB-CE2 4.48Å; V51-F53 HydrophobicContact CG1-CE1 4.34Å; V51-F53 HydrophobicContact CG1-CE2 4.31Å; V51-F53 HydrophobicContact CG1-CZ 4.12Å
52K92.3Very high86Confident51 Ų5147.9 Ų47.922%0.22227%0.271CS..EExtended strand (participates in β ladder)trans-97.6119.2171.1-172.2-176.4-174.4-154.50107.9V4 E30 E31 I85V4-K52 HydrophobicContact CG2-CB 4.07Å; V4-K52 HydrophobicContact CG2-CG 3.94Å; E30-K52 HydrophobicContact CB-CD 4.39Å; E30-K52 HydrophobicContact CB-CG 4.35Å; E30-K52 HydrophobicContact CG-CD 4.47Å; E30-K52 PolarHBondContact N-O 3.01Å; E30-K52 IonicContact OE1-NZ 3.75Å; E30-K52 PolarHBondContact OE1-NZ 3.06Å; E30-K52 VanDerWaalsContact OE2-CD 3.24Å; E30-K52 WeakPolarHBondContact OE2-CD 3.29Å; E30-K52 WeakPolarHBondContact OE2-CE 3.43Å; E30-K52 IonicContact OE2-NZ 3.24Å; E30-K52 PolarHBondContact OE2-NZ 3.47Å; E31-K52 HydrophobicContact CB-CB 4.07Å; E31-K52 PolarHBondContact N-O 3.22Å; E31-K52 PolarHBondContact O-N 3.3Å; K52-I85 HydrophobicContact CB-CD1 4.29Å; K52-I85 HydrophobicContact CB-CG1 4.49Å
53F93.1Very high87.5Confident0 Ų046.6 Ų46.60%026%0.261CS..EExtended strand (participates in β ladder)trans-92.1153.2172.6-66.9-78.3000111.1N3 I5 F23 N28 I29 V51 E55 V59 S62N3-F53 WeakPolarHBondContact CB-O 3.39Å; N3-F53 PolarHBondContact O-N 3.39Å; I5-F53 HydrophobicContact CD1-CE2 3.67Å; I5-F53 HydrophobicContact CD1-CZ 4.12Å; I5-F53 HydrophobicContact CG1-CE2 3.81Å; I5-F53 HydrophobicContact CG2-CE2 4.34Å; F23-F53 HydrophobicContact CB-CE1 4.19Å; F23-F53 HydrophobicContact CB-CZ 3.95Å; F23-F53 AromaticContact CD1-CZ 3.96Å; F23-F53 HydrophobicContact CD1-CZ 3.96Å; F23-F53 HydrophobicContact CG-CZ 4.3Å; N28-F53 WeakPolarHBondContact O-CA 3.49Å; I29-F53 HydrophobicContact CG1-CD1 4.23Å; I29-F53 HydrophobicContact CG1-CE1 3.98Å; V51-F53 HydrophobicContact CB-CE2 4.48Å; V51-F53 HydrophobicContact CG1-CE1 4.34Å; V51-F53 HydrophobicContact CG1-CE2 4.31Å; V51-F53 HydrophobicContact CG1-CZ 4.12Å; F53-E55 VanDerWaalsContact C-N 3.31Å; F53-E55 WeakPolarHBondContact CB-O 3.5Å; F53-V59 HydrophobicContact CD2-CG2 3.9Å; F53-S62 WeakPolarHBondContact CE2-OG 3.34Å; F53-S62 WeakPolarHBondContact CZ-OG 3.47Å
54L92.3Very high88.9Confident108 Ų10848.2 Ų48.257%0.56526%0.258SS*.SBendtrans-67.8-34.5169.4-167.1128.3000111.3N28N28-L54 HydrophobicContact CB-CB 4.14Å; N28-L54 PolarHBondContact O-N 3.49Å
55E90.7Very high89.8Confident94 Ų9448.4 Ų48.444%0.43926%0.258SS..SBendtrans-112.9136.4-176.5-64-179.3167.600112.9F53 E57 S58F53-E55 VanDerWaalsContact C-N 3.31Å; F53-E55 WeakPolarHBondContact CB-O 3.5Å; E55-E57 VanDerWaalsContact C-N 3.29Å; E55-E57 PolarHBondContact O-N 3.34Å; E55-S58 WeakPolarHBondContact O-CB 3.26Å; E55-S58 PolarHBondContact O-N 3.27Å
56P89.6Confident90.6Very high49 Ų4945.2 Ų45.232%0.31824%0.238SC..THydrogen-bonded Turntrans-66.8-26.4176.725.9-33.5000113.4M1 N3 S58 V59M1-P56 HydrophobicContact CB-CB 3.66Å; M1-P56 HydrophobicContact CG-CB 4.5Å; M1-P56 HydrophobicContact SD-CB 4.11Å; N3-P56 WeakPolarHBondContact OD1-CB 3.36Å; P56-S58 PolarHBondContact O-N 3.07Å; P56-V59 WeakPolarHBondContact O-CB 3.18Å; P56-V59 PolarHBondContact O-N 3.04Å
57E90.9Very high91.1Very high153 Ų15350.3 Ų50.372%0.71526%0.264SS*.Hα-helixtrans-63-34.8178.9-59.8-161.3167.200111.9E55 V59 G60 V61E55-E57 VanDerWaalsContact C-N 3.29Å; E55-E57 PolarHBondContact O-N 3.34Å; E57-V59 PolarHBondContact O-N 2.77Å; E57-V59 VanDerWaalsContact O-N 3.15Å; E57-G60 PolarHBondContact O-N 3.04Å; E57-V61 PolarHBondContact O-N 3.26Å; E57-V61 VanDerWaalsContact O-N 3.17Å
58S91.4Very high91.3Very high4 Ų452.2 Ų52.23%0.02828%0.278CS..Hα-helixtrans-59.2-26.8177.7-63.30000112.8G27 E55 P56 S62G27-S58 WeakPolarHBondContact CA-OG 3.46Å; E55-S58 WeakPolarHBondContact O-CB 3.26Å; E55-S58 PolarHBondContact O-N 3.27Å; P56-S58 PolarHBondContact O-N 3.07Å; S58-S62 WeakPolarHBondContact O-CB 3.27Å; S58-S62 PolarHBondContact O-N 2.99Å; S58-S62 PolarHBondContact O-OG 3.5Å
59V90.1Very high91.4Very high11 Ų1157.1 Ų57.17%0.06731%0.307CS..Hα-helixtrans-69.7-41.1175.1172.60000111.5T2 I5 F53 P56 E57 S62 Q63 P79T2-V59 VanDerWaalsContact O-CG2 3.26Å; T2-V59 WeakPolarHBondContact O-CG2 3.33Å; I5-V59 HydrophobicContact CG2-CB 4.18Å; I5-V59 HydrophobicContact CG2-CG1 3.74Å; I5-V59 HydrophobicContact CG2-CG2 4.03Å; F53-V59 HydrophobicContact CD2-CG2 3.9Å; P56-V59 WeakPolarHBondContact O-CB 3.18Å; P56-V59 PolarHBondContact O-N 3.04Å; E57-V59 PolarHBondContact O-N 2.77Å; E57-V59 VanDerWaalsContact O-N 3.15Å; V59-S62 PolarHBondContact O-N 3.41Å; V59-Q63 PolarHBondContact O-N 3.26Å; V59-P79 HydrophobicContact CG1-CB 3.79Å
60G90.3Very high91.4Very high37 Ų3759.3 Ų59.338%0.38132%0.317SS..Hα-helixtrans-64-45.917500000111.9E57 S62 Q63E57-G60 PolarHBondContact O-N 3.04Å; G60-S62 VanDerWaalsContact C-N 3.31Å; G60-S62 PolarHBondContact O-N 3.14Å; G60-Q63 WeakPolarHBondContact O-CB 3.35Å; G60-Q63 PolarHBondContact O-N 3.38Å
61V91.6Very high91.3Very high72 Ų7263.5 Ų63.544%0.43634%0.343SS..Hα-helixtrans-61.9-41.1174.9-1730000110.8L26 E57 Q63 H64L26-V61 HydrophobicContact CB-CG1 4.4Å; L26-V61 HydrophobicContact CD2-CB 4.39Å; L26-V61 HydrophobicContact CD2-CG1 3.87Å; L26-V61 HydrophobicContact CG-CG1 3.98Å; E57-V61 PolarHBondContact O-N 3.26Å; E57-V61 VanDerWaalsContact O-N 3.17Å; V61-Q63 VanDerWaalsContact C-N 3.3Å; V61-Q63 PolarHBondContact O-N 3.26Å; V61-H64 WeakPolarHBondContact O-CB 3.27Å; V61-H64 PolarHBondContact O-N 3.33Å; V61-H64 VanDerWaalsContact O-N 3.14Å
62S91.3Very high91.3Very high0 Ų067.9 Ų67.90%037%0.366CS..Hα-helixtrans-64.7-31.9178.4-65.80000113.4L26 F53 S58 V59 G60 H64 L65L26-S62 VanDerWaalsContact CD2-CA 3.45Å; F53-S62 WeakPolarHBondContact CE2-OG 3.34Å; F53-S62 WeakPolarHBondContact CZ-OG 3.47Å; S58-S62 WeakPolarHBondContact O-CB 3.27Å; S58-S62 PolarHBondContact O-N 2.99Å; S58-S62 PolarHBondContact O-OG 3.5Å; V59-S62 PolarHBondContact O-N 3.41Å; G60-S62 VanDerWaalsContact C-N 3.31Å; G60-S62 PolarHBondContact O-N 3.14Å; S62-H64 PolarHBondContact O-N 3.17Å; S62-L65 WeakPolarHBondContact O-CB 3.41Å; S62-L65 PolarHBondContact O-N 3.19Å
63Q91.9Very high91.1Very high104 Ų10468.2 Ų68.249%0.48637%0.366SS..Hα-helixtrans-62.1-28.9175.5-161.6177.426.100112.3V59 G60 V61 L65 T66V59-Q63 PolarHBondContact O-N 3.26Å; G60-Q63 WeakPolarHBondContact O-CB 3.35Å; G60-Q63 PolarHBondContact O-N 3.38Å; V61-Q63 VanDerWaalsContact C-N 3.3Å; V61-Q63 PolarHBondContact O-N 3.26Å; Q63-L65 PolarHBondContact O-N 3.02Å; Q63-T66 WeakPolarHBondContact O-CB 3.46Å; Q63-T66 PolarHBondContact O-N 3.44Å; Q63-T66 PolarHBondContact O-OG1 2.9Å
64H91.4Very high91.1Very high157 Ų15769.9 Ų69.973%0.72738%0.38SS*.THydrogen-bonded Turntrans-66.7-16.2173.8-63.9-43.5000114V61 S62 T66V61-H64 WeakPolarHBondContact O-CB 3.27Å; V61-H64 PolarHBondContact O-N 3.33Å; V61-H64 VanDerWaalsContact O-N 3.14Å; S62-H64 PolarHBondContact O-N 3.17Å; H64-T66 PolarHBondContact O-N 3.01Å
65L91.4Very high91.2Very high31 Ų3164.8 Ų64.816%0.16235%0.353CS..THydrogen-bonded Turntrans-76.4-6171-61.1-177.7000113.3L22 F23 L26 S62 Q63 N67 T68 V77L22-L65 HydrophobicContact CD2-CD1 3.76Å; L22-L65 HydrophobicContact CG-CD1 4.48Å; F23-L65 HydrophobicContact CD1-CD1 4.19Å; F23-L65 HydrophobicContact CE1-CD1 3.75Å; F23-L65 HydrophobicContact CZ-CD1 4.38Å; L26-L65 HydrophobicContact CD1-CD1 3.84Å; L26-L65 HydrophobicContact CD2-CD1 3.48Å; L26-L65 VanDerWaalsContact CD2-CD1 3.48Å; L26-L65 HydrophobicContact CD2-CD2 4.49Å; L26-L65 HydrophobicContact CD2-CG 3.79Å; L26-L65 HydrophobicContact CG-CD1 4.35Å; S62-L65 WeakPolarHBondContact O-CB 3.41Å; S62-L65 PolarHBondContact O-N 3.19Å; Q63-L65 PolarHBondContact O-N 3.02Å; L65-N67 PolarHBondContact O-N 3.15Å; L65-T68 WeakPolarHBondContact CA-OG1 2.94Å; L65-T68 WeakPolarHBondContact O-CA 3.46Å; L65-T68 WeakPolarHBondContact O-CB 3.4Å; L65-T68 PolarHBondContact O-N 3.37Å; L65-T68 PolarHBondContact O-OG1 3.48Å; L65-T68 VanDerWaalsContact O-OG1 3.09Å; L65-V77 HydrophobicContact CB-CG2 4.26Å
66T92.8Very high91.3Very high43 Ų4363.1 Ų63.126%0.26435%0.346SS..THydrogen-bonded Turntrans-58.2127.7172.7-56.10000110.5Q63 H64 T68 V77Q63-T66 WeakPolarHBondContact O-CB 3.46Å; Q63-T66 PolarHBondContact O-N 3.44Å; Q63-T66 PolarHBondContact O-OG1 2.9Å; H64-T66 PolarHBondContact O-N 3.01Å; T66-T68 VanDerWaalsContact C-N 3.31Å; T66-V77 PolarHBondContact OG1-N 3.35Å; T66-V77 PolarHBondContact OG1-O 2.93Å
67N91.3Very high91.4Very high125 Ų12561 Ų6167%0.66833%0.332SS*.THydrogen-bonded Turntrans72.17-169.3-45.6-75.8000116.3L65 L75L65-N67 PolarHBondContact O-N 3.15Å; N67-L75 PolarHBondContact N-O 2.72Å
68T91.5Very high91.4Very high58 Ų5856.8 Ų56.836%0.35632%0.317SS..  trans-73.5127.9170.5-61.90000109.5L65 T66 F70 A74 L75L65-T68 WeakPolarHBondContact CA-OG1 2.94Å; L65-T68 WeakPolarHBondContact O-CA 3.46Å; L65-T68 WeakPolarHBondContact O-CB 3.4Å; L65-T68 PolarHBondContact O-N 3.37Å; L65-T68 PolarHBondContact O-OG1 3.48Å; L65-T68 VanDerWaalsContact O-OG1 3.09Å; T66-T68 VanDerWaalsContact C-N 3.31Å; T68-F70 PolarHBondContact O-N 3.37Å; T68-A74 WeakPolarHBondContact O-CA 3.24Å; T68-L75 PolarHBondContact O-N 3.19Å
69V91.9Very high91.3Very high102 Ų10259 Ų5962%0.61833%0.332SS*.EExtended strand (participates in β ladder)trans-78.8118.3178.8179.80000109.9R73 A74V69-R73 CarbonylContact C-O 3.56Å; V69-R73 VanDerWaalsContact CA-O 3.32Å; V69-R73 WeakPolarHBondContact CA-O 3.45Å; V69-A74 HydrophobicContact CG2-CB 4.39Å
70F90.1Very high91.2Very high46 Ų4659.8 Ų59.820%0.20233%0.334CS..EExtended strand (participates in β ladder)trans-115.6127.9171.6-162.8-110.5000109.7T14 Q18 M19 L22 T68 D72 R73 L75T14-F70 HydrophobicContact CG2-CD1 4.05Å; T14-F70 HydrophobicContact CG2-CE1 3.68Å; T14-F70 WeakPolarHBondContact OG1-CD1 3.49Å; Q18-F70 HydrophobicContact CB-CE1 4.06Å; Q18-F70 HydrophobicContact CB-CZ 4Å; M19-F70 HydrophobicContact SD-CD1 4.49Å; M19-F70 HydrophobicContact SD-CE1 4.47Å; L22-F70 HydrophobicContact CB-CE2 4.44Å; L22-F70 HydrophobicContact CD1-CD2 3.27Å; L22-F70 HydrophobicContact CD1-CE2 3.4Å; L22-F70 HydrophobicContact CD1-CG 3.93Å; L22-F70 HydrophobicContact CD1-CZ 4.14Å; T68-F70 PolarHBondContact O-N 3.37Å; F70-D72 PolarHBondContact O-N 2.94Å; F70-R73 PolarHBondContact N-O 3.25Å; F70-R73 PolarHBondContact O-N 3.41Å; F70-L75 HydrophobicContact CB-CD1 3.95Å; F70-L75 HydrophobicContact CB-CD2 4.13Å; F70-L75 HydrophobicContact CB-CG 3.94Å
71V90.3Very high90.6Very high89 Ų8962.5 Ų62.554%0.53935%0.353SS..THydrogen-bonded Turntrans54.4-92.5-168.8-172.70000112.1T14T14-V71 VanDerWaalsContact OG1-CG2 3.29Å; T14-V71 WeakPolarHBondContact OG1-CG2 3.45Å
72D91.2Very high89.7Confident91 Ų9164.1 Ų64.149%0.48736%0.355SS..THydrogen-bonded Turntrans-119.1-5.6-179.664-56000113.7S11 F70S11-D72 WeakPolarHBondContact CB-OD1 3.47Å; S11-D72 PolarHBondContact OG-OD1 3.32Å; F70-D72 PolarHBondContact O-N 2.94Å
73R89Confident88.6Confident59 Ų5965.5 Ų65.522%0.22337%0.37CS..EExtended strand (participates in β ladder)trans-130.6146.5-169-55.7-163.7-178-1715.2114.3N9 T45 V69 F70N9-R73 WeakPolarHBondContact O-CB 3.32Å; T45-R73 PolarHBondContact O-NH1 2.82Å; T45-R73 PolarHBondContact O-NH2 3.37Å; V69-R73 CarbonylContact C-O 3.56Å; V69-R73 VanDerWaalsContact CA-O 3.32Å; V69-R73 WeakPolarHBondContact CA-O 3.45Å; F70-R73 PolarHBondContact N-O 3.25Å; F70-R73 PolarHBondContact O-N 3.41Å
74A92.6Very high87.9Confident35 Ų3565.4 Ų65.429%0.28938%0.376SS..EExtended strand (participates in β ladder)trans-78.2118.7171.600000110.2N9 T68 V69N9-A74 PolarHBondContact ND2-O 3.03Å; T68-A74 WeakPolarHBondContact O-CA 3.24Å; V69-A74 HydrophobicContact CG2-CB 4.39Å
75L93.3Very high87.3Confident1 Ų158.6 Ų58.61%0.00535%0.345CS..  trans-67.3146.6177.5-60.9-179.8000111V7 V10 L22 N67 T68 F70V7-L75 HydrophobicContact CG1-CB 4.26Å; V7-L75 HydrophobicContact CG1-CD1 4.47Å; V7-L75 HydrophobicContact CG1-CD2 4.08Å; V10-L75 HydrophobicContact CG2-CD2 4.09Å; L22-L75 HydrophobicContact CD1-CD1 4.37Å; L22-L75 HydrophobicContact CD2-CD1 4.28Å; N67-L75 PolarHBondContact N-O 2.72Å; T68-L75 PolarHBondContact O-N 3.19Å; F70-L75 HydrophobicContact CB-CD1 3.95Å; F70-L75 HydrophobicContact CB-CD2 4.13Å; F70-L75 HydrophobicContact CB-CG 3.94Å
76I92.6Very high86.5Confident58 Ų5857.5 Ų57.530%0.29734%0.34SS..EExtended strand (participates in β ladder)trans-120.5113.4172.3-59.8171.1000107.2V7 T8 N9 V78V7-I76 CarbonylContact C-O 3.52Å; V7-I76 WeakPolarHBondContact CA-O 3.49Å; T8-I76 PolarHBondContact N-O 3.5Å; T8-I76 PolarHBondContact O-N 3.32Å; T8-I76 WeakPolarHBondContact OG1-CB 3.29Å; N9-I76 HydrophobicContact CB-CD1 4.19Å; N9-I76 HydrophobicContact CB-CG1 4.45Å; I76-V78 HydrophobicContact CG2-CG2 4.23Å
77V92.6Very high85.8Confident4 Ų461.2 Ų61.22%0.02436%0.358CS..EExtended strand (participates in β ladder)trans-109123.2-176.4-173.80000109.8I5 Q6 V7 F23 L65 T66I5-V77 HydrophobicContact CB-CG1 4Å; I5-V77 HydrophobicContact CD1-CG1 3.94Å; I5-V77 HydrophobicContact CG2-CG1 3.97Å; Q6-V77 WeakPolarHBondContact O-CA 3.33Å; V7-V77 HydrophobicContact CG1-CG2 4.23Å; V7-V77 HydrophobicContact CG2-CG2 4.33Å; F23-V77 HydrophobicContact CE1-CG2 4.47Å; F23-V77 HydrophobicContact CZ-CG2 4.35Å; L65-V77 HydrophobicContact CB-CG2 4.26Å; T66-V77 PolarHBondContact OG1-N 3.35Å; T66-V77 PolarHBondContact OG1-O 2.93Å
78V90.9Very high84.8Confident66 Ų6660.7 Ų60.740%0.435%0.351SS..EExtended strand (participates in β ladder)trans-127.8130.9-179.1-175.70000108.8Q6 I76 F80Q6-V78 PolarHBondContact N-O 3.03Å; Q6-V78 PolarHBondContact O-N 3.12Å; I76-V78 HydrophobicContact CG2-CG2 4.23Å; V78-F80 PolarHBondContact O-N 3.02Å
79P90.2Very high83.7Confident51 Ų5162.6 Ų62.633%0.33137%0.367SS..EExtended strand (participates in β ladder)trans-64.4133172.127-33.8000110.4V59V59-P79 HydrophobicContact CG1-CB 3.79Å
80F86.2Confident82.7Confident27 Ų2762 Ų6212%0.11836%0.356CS..  trans-98.2114.5-175.1-168-114.1000111.1T2 V4 F50 V78 E82 G83 V84 P86 L94T2-F80 WeakPolarHBondContact CB-O 3.33Å; T2-F80 VanDerWaalsContact CG2-O 3.27Å; T2-F80 WeakPolarHBondContact CG2-O 3.43Å; V4-F80 HydrophobicContact CB-CB 4.17Å; V4-F80 HydrophobicContact CG1-CB 3.91Å; V4-F80 HydrophobicContact CG1-CD1 4.15Å; V4-F80 HydrophobicContact CG1-CG 4.43Å; V4-F80 PolarHBondContact O-N 3.38Å; F50-F80 HydrophobicContact CE1-CD2 4.24Å; F50-F80 HydrophobicContact CE1-CE2 4.33Å; F50-F80 HydrophobicContact CE1-CG 4.42Å; V78-F80 PolarHBondContact O-N 3.02Å; F80-E82 VanDerWaalsContact C-N 3.29Å; F80-E82 HydrophobicContact CD1-CB 3.84Å; F80-E82 HydrophobicContact CE1-CB 3.28Å; F80-E82 HydrophobicContact CE1-CG 4.38Å; F80-E82 WeakPolarHBondContact CE1-OE2 3.35Å; F80-E82 HydrophobicContact CZ-CB 3.84Å; F80-E82 VanDerWaalsContact CZ-OE2 3.31Å; F80-E82 WeakPolarHBondContact CZ-OE2 3.45Å; F80-E82 PolarHBondContact O-N 3.24Å; F80-G83 PolarHBondContact O-N 3.45Å; F80-V84 WeakPolarHBondContact CD1-O 3.34Å; F80-V84 WeakPolarHBondContact CE1-O 3.23Å; F80-P86 HydrophobicContact CE1-CB 4.21Å; F80-P86 HydrophobicContact CE1-CG 3.85Å; F80-P86 HydrophobicContact CZ-CB 4.08Å; F80-P86 HydrophobicContact CZ-CG 3.75Å; F80-L94 HydrophobicContact CE2-CD1 4.17Å
81A77.8Confident81.8Confident93 Ų9359.8 Ų59.877%0.76935%0.347SS*.THydrogen-bonded Turntrans-64.4-27.2-171.400000114.7G83A81-G83 PolarHBondContact O-N 3.38Å
82E73Confident81.1Confident106 Ų10659.6 Ų59.650%0.49534%0.342SS..THydrogen-bonded Turntrans-71.9-13-175.6-130175-176.400113F80 V84 K90F80-E82 VanDerWaalsContact C-N 3.29Å; F80-E82 HydrophobicContact CD1-CB 3.84Å; F80-E82 HydrophobicContact CE1-CB 3.28Å; F80-E82 HydrophobicContact CE1-CG 4.38Å; F80-E82 WeakPolarHBondContact CE1-OE2 3.35Å; F80-E82 HydrophobicContact CZ-CB 3.84Å; F80-E82 VanDerWaalsContact CZ-OE2 3.31Å; F80-E82 WeakPolarHBondContact CZ-OE2 3.45Å; F80-E82 PolarHBondContact O-N 3.24Å; E82-V84 PolarHBondContact O-N 2.85Å; E82-K90 IonicContact OE1-NZ 2.69Å; E82-K90 PolarHBondContact OE1-NZ 3.07Å; E82-K90 IonicContact OE2-NZ 2.97Å; E82-K90 PolarHBondContact OE2-NZ 2.82Å
83G68.4Low80.1Confident30 Ų3059.1 Ų59.131%0.30935%0.346SS..SBendtrans67.6-8.5174.900000116.3V4 F80 A81V4-G83 VanDerWaalsContact CG2-O 3.23Å; V4-G83 WeakPolarHBondContact CG2-O 3.07Å; F80-G83 PolarHBondContact O-N 3.45Å; A81-G83 PolarHBondContact O-N 3.38Å
84V77.1Confident79.3Confident102 Ų10259.3 Ų59.362%0.61835%0.351SS*.SBendtrans-122.6150.7179-177.60000108.3F80 E82F80-V84 WeakPolarHBondContact CD1-O 3.34Å; F80-V84 WeakPolarHBondContact CE1-O 3.23Å; E82-V84 PolarHBondContact O-N 2.85Å
85I78.6Confident78.1Confident14 Ų1458.9 Ų58.97%0.07234%0.344CS..PPolyproline II helixtrans-73.6124.1176.6-61.3-177.1000109.2V4 E31 K33 F50 K52V4-I85 HydrophobicContact CG1-CG1 4.42Å; E31-I85 HydrophobicContact CB-CD1 3.89Å; E31-I85 HydrophobicContact CG-CD1 3.77Å; K33-I85 HydrophobicContact CB-CG2 4.16Å; K33-I85 HydrophobicContact CD-CB 4.42Å; K33-I85 HydrophobicContact CD-CD1 4.35Å; K33-I85 HydrophobicContact CD-CG2 3.71Å; K33-I85 HydrophobicContact CG-CG2 4.47Å; F50-I85 HydrophobicContact CB-CB 4.43Å; F50-I85 HydrophobicContact CB-CD1 4.34Å; F50-I85 HydrophobicContact CB-CG1 4.16Å; F50-I85 HydrophobicContact CB-CG2 3.66Å; F50-I85 HydrophobicContact CG-CG2 4.13Å; K52-I85 HydrophobicContact CB-CD1 4.29Å; K52-I85 HydrophobicContact CB-CG1 4.49Å
86P75.1Confident76.3Confident7 Ų761.1 Ų61.15%0.04536%0.363CS..PPolyproline II helixtrans-77.2153.2-175.932.5-36.6000112.7F50 F80 K90F50-P86 HydrophobicContact CD1-CG 3.95Å; F50-P86 HydrophobicContact CD2-CG 4.43Å; F50-P86 HydrophobicContact CE1-CG 3.49Å; F50-P86 VanDerWaalsContact CE1-CG 3.49Å; F50-P86 HydrophobicContact CE2-CG 4.04Å; F50-P86 HydrophobicContact CG-CG 4.4Å; F50-P86 HydrophobicContact CZ-CG 3.54Å; F80-P86 HydrophobicContact CE1-CB 4.21Å; F80-P86 HydrophobicContact CE1-CG 3.85Å; F80-P86 HydrophobicContact CZ-CB 4.08Å; F80-P86 HydrophobicContact CZ-CG 3.75Å; P86-K90 HydrophobicContact CB-CB 3.78Å; P86-K90 HydrophobicContact CB-CD 3.77Å; P86-K90 HydrophobicContact CB-CG 4.47Å
87D77.4Confident74Confident122 Ų12263 Ų6365%0.65238%0.379SS*.PPolyproline II helixtrans-61.8161.2179.7-57-51.3000113.6S89 K90 A91D87-S89 PolarHBondContact O-N 3.49Å; D87-S89 VanDerWaalsContact O-N 3.09Å; D87-K90 WeakPolarHBondContact O-CA 3.43Å; D87-K90 WeakPolarHBondContact O-CB 3.37Å; D87-K90 PolarHBondContact O-N 3.29Å; D87-A91 PolarHBondContact O-N 3.21Å
88E71.4Confident71.8Confident113 Ų11365.8 Ų65.853%0.52840%0.402SS..Hα-helixtrans-50.6-42.2-174-50.3-155.5136.400113.2F35 K90 A91 L92F35-E88 HydrophobicContact CD1-CG 4.24Å; F35-E88 HydrophobicContact CE1-CB 4.37Å; F35-E88 HydrophobicContact CE1-CG 3.7Å; F35-E88 HydrophobicContact CZ-CG 4.37Å; E88-K90 PolarHBondContact O-N 2.79Å; E88-A91 PolarHBondContact O-N 3.32Å; E88-L92 WeakPolarHBondContact O-CB 3.34Å; E88-L92 WeakPolarHBondContact O-CG 3.33Å; E88-L92 PolarHBondContact O-N 3.09Å
89S68.3Low69.6Low99 Ų9970.5 Ų70.569%0.69243%0.425SS*.Hα-helixtrans-62.9-38.8178.7-48.30000113.2D87 S93D87-S89 PolarHBondContact O-N 3.49Å; D87-S89 VanDerWaalsContact O-N 3.09Å; S89-S93 PolarHBondContact O-N 2.9Å
90K70Confident67.4Low88 Ų8871.4 Ų71.438%0.38344%0.436SS..Hα-helixtrans-74.6-37.1175-76.5-178.6174.5-177.30111E82 P86 D87 E88 S93 L94E82-K90 IonicContact OE1-NZ 2.69Å; E82-K90 PolarHBondContact OE1-NZ 3.07Å; E82-K90 IonicContact OE2-NZ 2.97Å; E82-K90 PolarHBondContact OE2-NZ 2.82Å; P86-K90 HydrophobicContact CB-CB 3.78Å; P86-K90 HydrophobicContact CB-CD 3.77Å; P86-K90 HydrophobicContact CB-CG 4.47Å; D87-K90 WeakPolarHBondContact O-CA 3.43Å; D87-K90 WeakPolarHBondContact O-CB 3.37Å; D87-K90 PolarHBondContact O-N 3.29Å; E88-K90 PolarHBondContact O-N 2.79Å; K90-S93 PolarHBondContact O-OG 3.43Å; K90-L94 WeakPolarHBondContact O-CG 3.32Å; K90-L94 PolarHBondContact O-N 2.83Å
91A72.1Confident65.4Low0 Ų075 Ų750%046%0.46CS..Hα-helixtrans-63.9-44.2174.500000111.9F35 V48 F50 D87 E88 L94 L95F35-A91 HydrophobicContact CB-CB 3.99Å; F35-A91 HydrophobicContact CD2-CB 3.32Å; F35-A91 HydrophobicContact CE2-CB 3.85Å; F35-A91 HydrophobicContact CG-CB 3.76Å; V48-A91 HydrophobicContact CG1-CB 4.28Å; F50-A91 HydrophobicContact CD2-CB 4.41Å; F50-A91 HydrophobicContact CE2-CB 3.63Å; F50-A91 HydrophobicContact CZ-CB 4.4Å; D87-A91 PolarHBondContact O-N 3.21Å; E88-A91 PolarHBondContact O-N 3.32Å; A91-L94 CarbonylContact O-C 3.58Å; A91-L94 PolarHBondContact O-N 2.86Å; A91-L95 PolarHBondContact O-N 2.87Å; A91-L95 VanDerWaalsContact O-N 3.08Å
92L75.6Confident63.6Low86 Ų8675.3 Ų75.345%0.4546%0.463SS..Hα-helixtrans-68.5-35179.3-72.6167000112.9P36 E88 L94 L95P36-L92 HydrophobicContact CG-CD2 4.03Å; E88-L92 WeakPolarHBondContact O-CB 3.34Å; E88-L92 WeakPolarHBondContact O-CG 3.33Å; E88-L92 PolarHBondContact O-N 3.09Å; L92-L94 VanDerWaalsContact C-N 3.33Å; L92-L95 HydrophobicContact CD2-CD2 4.21Å; L92-L95 WeakPolarHBondContact O-CB 3.48Å; L92-L95 PolarHBondContact O-N 2.93Å; L92-L95 VanDerWaalsContact O-N 3.17Å
93S70.6Confident62Low80 Ų8073.2 Ų73.256%0.55947%0.47SS*.Hα-helixtrans-67.4-36174680000112S89 K90 L95 A96S89-S93 PolarHBondContact O-N 2.9Å; K90-S93 PolarHBondContact O-OG 3.43Å; S93-L95 PolarHBondContact O-N 3.26Å; S93-A96 VanDerWaalsContact O-CB 3.23Å; S93-A96 WeakPolarHBondContact O-CB 3.48Å; S93-A96 PolarHBondContact O-N 3.45Å
94L71.4Confident60.7Low63 Ų6377.5 Ų77.533%0.3349%0.494SS..THydrogen-bonded Turntrans-73.5-11.2172.3-71.1170.8000114.2F50 F80 K90 A91 L92F50-L94 HydrophobicContact CE1-CD1 4.46Å; F50-L94 HydrophobicContact CZ-CD1 3.96Å; F80-L94 HydrophobicContact CE2-CD1 4.17Å; K90-L94 WeakPolarHBondContact O-CG 3.32Å; K90-L94 PolarHBondContact O-N 2.83Å; A91-L94 CarbonylContact O-C 3.58Å; A91-L94 PolarHBondContact O-N 2.86Å; L92-L94 VanDerWaalsContact C-N 3.33Å
95L67.4Low59.1Low27 Ų2780.4 Ų80.414%0.14150%0.503CS..THydrogen-bonded Turntrans-85.6-10.3172.5-172.356.7000112.9P36 S46 R47 V48 A91 L92 S93P36-L95 HydrophobicContact CG-CD2 4.29Å; S46-L95 WeakPolarHBondContact O-CD1 3.41Å; S46-L95 WeakPolarHBondContact O-CD2 3.46Å; R47-L95 VanDerWaalsContact C-CD1 3.46Å; V48-L95 HydrophobicContact CB-CD1 4.05Å; V48-L95 HydrophobicContact CG1-CB 4.21Å; V48-L95 HydrophobicContact CG1-CD1 4.33Å; A91-L95 PolarHBondContact O-N 2.87Å; A91-L95 VanDerWaalsContact O-N 3.08Å; L92-L95 HydrophobicContact CD2-CD2 4.21Å; L92-L95 WeakPolarHBondContact O-CB 3.48Å; L92-L95 PolarHBondContact O-N 2.93Å; L92-L95 VanDerWaalsContact O-N 3.17Å; S93-L95 PolarHBondContact O-N 3.26Å
96A55.5Low57.4Low48 Ų4886.1 Ų86.140%0.39754%0.541SS..SBendtrans-51.1134.717500000110.4S93 A98S93-A96 VanDerWaalsContact O-CB 3.23Å; S93-A96 WeakPolarHBondContact O-CB 3.48Å; S93-A96 PolarHBondContact O-N 3.45Å; A96-A98 PolarHBondContact O-N 2.85Å
97P45.1Very low56.2Low98 Ų9889.8 Ų89.864%0.63658%0.58SS**  trans-56.5130.6-166.519-31.7000111.8N99 A100P97-N99 PolarHBondContact O-N 3.3Å; P97-A100 PolarHBondContact O-N 2.89Å
98A46.9Very low54.3Low62 Ų6287.4 Ų87.451%0.51258%0.584SS.*THydrogen-bonded Turntrans-59.71.5-17000000116.1A96 A100 V101A96-A98 PolarHBondContact O-N 2.85Å; A98-A100 PolarHBondContact O-N 2.96Å; A98-V101 PolarHBondContact O-N 2.83Å
99N44Very low52.7Low164 Ų16485.6 Ų85.688%0.87760%0.595SS**THydrogen-bonded Turntrans-65.8-21.9164.9-71-0.1000112.9P97P97-N99 PolarHBondContact O-N 3.3Å
100A43.1Very low51.3Low70 Ų7088.9 Ų88.958%0.57960%0.604SS**SBendtrans-90.8-26.3173.900000113.2P97 A98 A102P97-A100 PolarHBondContact O-N 2.89Å; A98-A100 PolarHBondContact O-N 2.96Å; A100-A102 PolarHBondContact O-N 2.9Å
101V45.3Very low49.8Very low102 Ų10292.8 Ų92.862%0.61863%0.629SS**THydrogen-bonded Turntrans-86.449.9-174.1-164.70000111.4A98A98-V101 PolarHBondContact O-N 2.83Å
102A38.8Very low48.7Very low101 Ų10198.2 Ų98.284%0.83566%0.664SS**THydrogen-bonded Turntrans-126.49.5167.400000112.3A100A100-A102 PolarHBondContact O-N 2.9Å
103G40.6Very low47.4Very low62 Ų62100.4 Ų100.464%0.63968%0.681SS**SBendtrans-128.3-11.9-176.600000116.6M105G103-M105 PolarHBondContact O-N 2.8Å; G103-M105 VanDerWaalsContact O-N 3.16Å
104C41Very low45.9Very low119 Ų119102.7 Ų102.780%0.80469%0.694SS**  trans-92.865.4-175.1-61.10000112.7
105M42.8Very low44.3Very low163 Ų163107.2 Ų107.280%0.80372%0.719SS**  trans-103.8135.9158-75.8-73.2166.900108.3G103 G107G103-M105 PolarHBondContact O-N 2.8Å; G103-M105 VanDerWaalsContact O-N 3.16Å; M105-G107 PolarHBondContact O-N 2.86Å; M105-G107 VanDerWaalsContact O-N 3.14Å
106P43.4Very low43.1Very low135 Ų135111.3 Ų111.388%0.87775%0.747SS**SBendtrans-71.9108.8175.929.2-32.1000109.8
107G48.9Very low42.4Very low84 Ų84117.1 Ų117.187%0.86677%0.77SS**SBendtrans108.460.2172.100000116.1M105M105-G107 PolarHBondContact O-N 2.86Å; M105-G107 VanDerWaalsContact O-N 3.14Å
108G38.4Very low42Very low71 Ų71117.5 Ų117.573%0.73278%0.781SS**  trans-151.290.1178.500000115.1
109G38.3Very low41.4Very low75 Ų75120.1 Ų120.177%0.77380%0.796SS**  trans-11.8123.9173.100000121.6
110L37.7Very low40.9Very low168 Ų168121 Ų12188%0.8880%0.797SS**  trans15.1111135.1-71.6159.2000118.4
111L39.4Very low40.4Very low171 Ų171121.2 Ų121.290%0.89581%0.806SS**  trans-143.3110.3144.2-80.4-176.7000110.7
112P47.6Very low39.8Very low113 Ų113119.9 Ų119.973%0.73481%0.813SS**  trans-78.7147.5173.532.2-33.6000111.6
113T48.4Very low39.8Very low133 Ų133122.1 Ų122.182%0.81682%0.816SS**  trans-73.1131.6171.941.50000110.7N115T113-N115 PolarHBondContact O-N 3.43Å
114P39.6Very low40Very low127 Ų127125.1 Ų125.183%0.82583%0.825SS**  trans-77.8111.3-179.729.5-33.1000111.1
115N38.6Very low39.7Very low159 Ų159127.9 Ų127.985%0.8583%0.83SS**  trans-95.3116.1169.1-14937.1000108.9T113 L117T113-N115 PolarHBondContact O-N 3.43Å; N115-L117 PolarHBondContact O-N 3.39Å; N115-L117 VanDerWaalsContact O-N 3.16Å
116P41.8Very low39.2Very low113 Ų113125.7 Ų125.773%0.73483%0.831SS**  trans-91.873-167.236-36.2000113
117L40.1Very low38.7Very low169 Ų169123.2 Ų123.289%0.88582%0.822SS**  trans-16292161.2-143.183000113.1N115N115-L117 PolarHBondContact O-N 3.39Å; N115-L117 VanDerWaalsContact O-N 3.16Å
118A37.3Very low38.1Very low106 Ų106127.3 Ų127.388%0.87682%0.823SS**  trans175.2102.6151.700000110.2
119S34.8Very low37.6Very low118 Ų118127.5 Ų127.583%0.82583%0.825SS**  trans-153106.4162.5-171.70000109.5
120M33.5Very low37.2Very low182 Ų182131.7 Ų131.790%0.89783%0.829SS**  168.1138129.1-91.9-145.66800111.9
121G31.4Very low37.6Very low75 Ų75129 Ų12977%0.77382%0.822SS**  trans77.2113.9165.300000115.5
122G32.3Very low37.3Very low74 Ų74127.9 Ų127.976%0.76382%0.817SS**  cis107.191.1-2.400000114.1
123V40.3Very low37Very low148 Ų148129.9 Ų129.990%0.89782%0.818SS**  trans-163.1151.9139.1-92.60000108.6
124P43.8Very low36.6Very low125 Ų125129.9 Ų129.981%0.81281%0.813SS**  trans-105.4149.2-16938.2-31.4000114
125L34.3Very low36.7Very low176 Ų176132.7 Ų132.792%0.92182%0.815SS**  trans-145122.5154.4-169.658.2000110.4
126S33.9Very low36.9Very low118 Ų118133.5 Ų133.583%0.82582%0.816SS**  trans-97.4124.9176.5-178.60000109.3
127A32.3Very low37.1Very low82 Ų82133.5 Ų133.568%0.67883%0.826SS**  trans-173.5134.9157.300000112.7
128L35.4Very low37.3Very low171 Ų171129.5 Ų129.590%0.89582%0.817SS**  trans49.8115.9151.9-80.575.5000121.2
129G28Very low37.9Very low74 Ų74133.1 Ų133.176%0.76382%0.818SS**  81.6103.4103.400000119.8
130N31.2Very low38.3Very low163 Ų163131 Ų13187%0.87282%0.815SS**  trans-56.8157.7144.4-78.724.4000110.1
131P44.9Very low38.8Very low112 Ų112131.3 Ų131.373%0.72782%0.816SS**  cis-144.817032.542.1-23.1000118.6
132N34.3Very low39.1Very low148 Ų148133.9 Ų133.979%0.79182%0.822SS**  trans45.9150147.3-84.1-13.7000124.6
133M40.9Very low39.2Very low154 Ų154133.2 Ų133.276%0.75982%0.815SS**  trans85.4119.9159.6-79-177.7-97.400120.9
134D38.8Very low39.8Very low133 Ų133134.5 Ų134.571%0.71182%0.817SS**  trans5587.2133.6-56.4-40.2000120.7
135H43.6Very low39.8Very low187 Ų187135.6 Ų135.687%0.86682%0.815SS**  trans-138.562.2152.9-80.288.9000112
136M42.7Very low40.6Very low175 Ų175133.2 Ų133.286%0.86280%0.803SS**  trans-147.126.5156.9-147.1160.3-75.900114.6A138M136-A138 PolarHBondContact O-N 3.06Å
137A44.3Very low41.4Very low114 Ų114132.6 Ų132.694%0.94280%0.796SS**  trans-76.649.7165.300000111.5
138A45.6Very low42.3Very low85 Ų85136.2 Ų136.270%0.70280%0.799SS**  trans-136.530.6-169.700000113.7M136M136-A138 PolarHBondContact O-N 3.06Å
139M50Low43Very low182 Ų182130 Ų13090%0.89777%0.773SS**SBendtrans-155.197.8158.9-149.765.915800108.7M141M139-M141 PolarHBondContact O-N 3.28Å
140G43.3Very low44.1Very low74 Ų74133 Ų13376%0.76377%0.771SS**  trans-73.5110.2-17000000113.3
141M42.8Very low45.1Very low188 Ų188129 Ų12993%0.92676%0.755SS**  trans-147.9104.5160.2-85.2-68.9103.500108.8M139M139-M141 PolarHBondContact O-N 3.28Å
142S38.8Very low45.4Very low128 Ų128126.4 Ų126.490%0.89574%0.743SS**  trans-100.2138.3170.4540000110.2
143G33.3Very low46.2Very low60 Ų60124.7 Ų124.762%0.61973%0.734SS**SBendtrans124.3100.9166.400000115.6I145G143-I145 WeakPolarHBondContact O-CG1 3.31Å; G143-I145 PolarHBondContact O-N 3.28Å
144N52.8Low46.9Very low175 Ų175124.1 Ų124.194%0.93673%0.728SS**  trans2591.9139.9-161.857.5000118.5
145I44.4Very low47.7Very low148 Ų148121.9 Ų121.976%0.75972%0.715SS**  trans-133.5141.2173-40.5-173.6000112G143 A149G143-I145 WeakPolarHBondContact O-CG1 3.31Å; G143-I145 PolarHBondContact O-N 3.28Å; I145-A149 HydrophobicContact CG2-CB 4.28Å
146N51.9Low48.1Very low126 Ų126120 Ų12067%0.67470%0.704SS**  trans-60.3145.4179.3-84.6-54.7000114.4Q148 A149N146-Q148 PolarHBondContact O-N 3.21Å; N146-A149 PolarHBondContact O-N 3.32Å
147P50.1Low48.7Very low106 Ų106117.3 Ų117.369%0.68869%0.693SS**THydrogen-bonded Turntrans-69.2-4.1178.530-36.6000114.8
148Q50.6Low48.9Very low157 Ų157117.7 Ų117.773%0.73468%0.677SS**THydrogen-bonded Turntrans-90.3-11.8179.3-68.3-67.2-31.800114N146 S151N146-Q148 PolarHBondContact O-N 3.21Å; Q148-S151 PolarHBondContact O-OG 2.86Å
149A49.8Very low49.2Very low41 Ų41120.7 Ų120.734%0.33968%0.676SS.*SBendtrans-82.2-30.3-178.400000113.5I145 N146 S151 A152I145-A149 HydrophobicContact CG2-CB 4.28Å; N146-A149 PolarHBondContact O-N 3.32Å; A149-S151 PolarHBondContact O-N 3.03Å; A149-S151 VanDerWaalsContact O-N 3.11Å; A149-A152 PolarHBondContact O-N 2.88Å; A149-A152 VanDerWaalsContact O-N 3.14Å
150L51.4Low49.2Very low138 Ų138116 Ų11672%0.72366%0.662SS**Hα-helixtrans-62.6-22-174-61.9175.5000114.2
151S53.1Low49.5Very low77 Ų77120 Ų12054%0.53866%0.662SS.*Hα-helixtrans-78.6-30.2178.558.10000113.1Q148 A149 L155Q148-S151 PolarHBondContact O-OG 2.86Å; A149-S151 PolarHBondContact O-N 3.03Å; A149-S151 VanDerWaalsContact O-N 3.11Å; S151-L155 WeakPolarHBondContact O-CB 3.46Å; S151-L155 PolarHBondContact O-N 2.77Å
152A51.5Low49.5Very low58 Ų58116.5 Ų116.548%0.47965%0.647SS.*Hα-helixtrans-75-47.2-176.200000111.8A149 L155 K156A149-A152 PolarHBondContact O-N 2.88Å; A149-A152 VanDerWaalsContact O-N 3.14Å; A152-L155 PolarHBondContact O-N 2.83Å; A152-K156 WeakPolarHBondContact O-CB 3.36Å; A152-K156 PolarHBondContact O-N 2.99Å
153D51.4Low50Low113 Ų113116.6 Ų116.660%0.60464%0.644SS**Hα-helixtrans-73.2-34.1-176.3-66.9-36.6000112.5K156 L157D153-K156 PolarHBondContact O-N 3.49Å; D153-L157 WeakPolarHBondContact O-CB 3.49Å; D153-L157 PolarHBondContact O-N 3.43Å
154F53.9Low50.9Low142 Ų142118.5 Ų118.562%0.62365%0.645SS**Hα-helixtrans-64.5-41.5172.3-174.9-103.5000112.1K156 L157 M158F154-K156 VanDerWaalsContact C-N 3.32Å; F154-K156 PolarHBondContact O-N 2.79Å; F154-L157 PolarHBondContact O-N 3.18Å; F154-M158 PolarHBondContact O-N 2.91Å; F154-M158 VanDerWaalsContact O-N 3.11Å
155L55.6Low50.9Low86 Ų86119.2 Ų119.245%0.4564%0.639SS.*Hα-helixtrans-67.7-35177.1-155.175000111.6S151 A152 M158 Q159S151-L155 WeakPolarHBondContact O-CB 3.46Å; S151-L155 PolarHBondContact O-N 2.77Å; A152-L155 PolarHBondContact O-N 2.83Å; L155-M158 HydrophobicContact CD1-CE 3.89Å; L155-M158 PolarHBondContact O-N 3.28Å; L155-Q159 VanDerWaalsContact O-CG 3.29Å; L155-Q159 WeakPolarHBondContact O-CG 3.06Å; L155-Q159 PolarHBondContact O-N 2.89Å; L155-Q159 VanDerWaalsContact O-N 3.16Å
156K51.9Low50.7Low147 Ų147120.6 Ų120.664%0.63964%0.644SS**Hα-helixtrans-71.4-33.4177-164.9168.3-177177.20113A152 D153 F154 Q159 S160A152-K156 WeakPolarHBondContact O-CB 3.36Å; A152-K156 PolarHBondContact O-N 2.99Å; D153-K156 PolarHBondContact O-N 3.49Å; F154-K156 VanDerWaalsContact C-N 3.32Å; F154-K156 PolarHBondContact O-N 2.79Å; K156-Q159 PolarHBondContact O-N 2.89Å; K156-S160 PolarHBondContact O-N 2.86Å
157L55.3Low50.4Low119 Ų119121.1 Ų121.162%0.62365%0.647SS**Hα-helixtrans-69.6-36.5171.9-176.461.8000112.3D153 F154 Q159 S160D153-L157 WeakPolarHBondContact O-CB 3.49Å; D153-L157 PolarHBondContact O-N 3.43Å; F154-L157 PolarHBondContact O-N 3.18Å; L157-Q159 VanDerWaalsContact C-N 3.29Å; L157-Q159 PolarHBondContact O-N 2.81Å; L157-S160 PolarHBondContact O-OG 3.29Å; L157-S160 VanDerWaalsContact O-OG 3.11Å
158M50.3Low50.3Low122 Ų122122.2 Ų122.260%0.60166%0.655SS**Hα-helixtrans-73.5-20.7176.7-165.8174.661.800113F154 L155F154-M158 PolarHBondContact O-N 2.91Å; F154-M158 VanDerWaalsContact O-N 3.11Å; L155-M158 HydrophobicContact CD1-CE 3.89Å; L155-M158 PolarHBondContact O-N 3.28Å
159Q51.5Low50Low148 Ų148123.3 Ų123.369%0.69266%0.662SS**Hα-helixtrans-90.1-11.8178.2-75.2175-3.100114.4L155 K156 L157L155-Q159 VanDerWaalsContact O-CG 3.29Å; L155-Q159 WeakPolarHBondContact O-CG 3.06Å; L155-Q159 PolarHBondContact O-N 2.89Å; L155-Q159 VanDerWaalsContact O-N 3.16Å; K156-Q159 PolarHBondContact O-N 2.89Å; L157-Q159 VanDerWaalsContact C-N 3.29Å; L157-Q159 PolarHBondContact O-N 2.81Å
160S50.4Low49.5Very low84 Ų84126.3 Ų126.359%0.58769%0.687SS**SBendtrans-92.3-1.9-177.661.10000114.8K156 L157 D162K156-S160 PolarHBondContact O-N 2.86Å; L157-S160 PolarHBondContact O-OG 3.29Å; L157-S160 VanDerWaalsContact O-OG 3.11Å; S160-D162 PolarHBondContact O-N 3.05Å
161M49.6Very low49.2Very low157 Ų157124.8 Ų124.877%0.77369%0.694SS**  trans-89.486.3175.7-64.2-17474.700111.4
162D41.1Very low49Very low115 Ų115124.1 Ų124.162%0.61570%0.699SS**  trans-67.4122.1168.8-179.2-15.3000110.4S160 T164S160-D162 PolarHBondContact O-N 3.05Å; D162-T164 PolarHBondContact O-N 3.23Å; D162-T164 VanDerWaalsContact O-N 3.15Å; D162-T164 WeakPolarHBondContact OD1-CB 3.49Å; D162-T164 WeakPolarHBondContact OD1-CG2 3.48Å; D162-T164 PolarHBondContact OD1-N 3.47Å; D162-T164 VanDerWaalsContact OD1-N 3.08Å; D162-T164 PolarHBondContact OD1-OG1 2.99Å; D162-T164 PolarHBondContact OD2-OG1 3.24Å
163P50.7Low48.6Very low129 Ų129130 Ų13084%0.83872%0.719SS**THydrogen-bonded Turntrans-82.221.7-174.935.7-37.7000114.4
164T51.3Low48.6Very low101 Ų101133.5 Ų133.562%0.6273%0.734SS**THydrogen-bonded Turntrans-118.1-1.9-168.2670000118.2D162D162-T164 PolarHBondContact O-N 3.23Å; D162-T164 VanDerWaalsContact O-N 3.15Å; D162-T164 WeakPolarHBondContact OD1-CB 3.49Å; D162-T164 WeakPolarHBondContact OD1-CG2 3.48Å; D162-T164 PolarHBondContact OD1-N 3.47Å; D162-T164 VanDerWaalsContact OD1-N 3.08Å; D162-T164 PolarHBondContact OD1-OG1 2.99Å; D162-T164 PolarHBondContact OD2-OG1 3.24Å
165K52.9Low48.1Very low189 Ų189133.9 Ų133.982%0.82274%0.741SS**  trans-144.9110.7173.6-67.2-171.5-179.1178.90114.9
166M39.5Very low47.4Very low177 Ų177136.7 Ų136.787%0.87276%0.756SS**  173.5128.5125.1-86.4-99.7-86.400113.6
167N46.8Very low47.2Very low137 Ų137135.6 Ų135.673%0.73376%0.764SS**  trans45.5124.2161.5-77.114000124.3M169N167-M169 PolarHBondContact O-N 3.46Å
168P47.8Very low46.6Very low130 Ų130133.2 Ų133.284%0.84477%0.769SS**SBendtrans-90.655.2172.440.1-36.5000112.6
169M44.3Very low46.5Very low180 Ų180134.8 Ų134.889%0.88778%0.776SS**  trans-140.252.6-179.1-113.4-176.2170.600114.1N167N167-M169 PolarHBondContact O-N 3.46Å
170A38.4Very low46.7Very low104 Ų104134.3 Ų134.386%0.8677%0.772SS**  trans-12740158.300000110.3G172A170-G172 PolarHBondContact O-N 2.91Å; A170-G172 VanDerWaalsContact O-N 3.17Å
171A46.8Very low47Very low105 Ų105136.1 Ų136.187%0.86878%0.775SS**  trans-76.696.3173.500000109.5
172G48.2Very low47.4Very low63 Ų63133.5 Ų133.565%0.64976%0.764SS**  trans160.668.1174.400000115.8A170A170-G172 PolarHBondContact O-N 2.91Å; A170-G172 VanDerWaalsContact O-N 3.17Å
173M43.6Very low48.3Very low183 Ų183130.9 Ų130.990%0.90176%0.755SS**SBendtrans174.6100.2133.3-92.9164.4-170.900112.7
174M49.6Very low49.2Very low185 Ų185129.4 Ų129.491%0.91174%0.74SS**  trans52.665.1139-58.4-62-160.400121.3
175I45Very low50.5Low150 Ų150130.8 Ų130.877%0.76974%0.737SS**  trans-140.1127150.2-53.2-179.1000111.6
176N41.1Very low51.6Low145 Ų145128.1 Ų128.178%0.77573%0.728SS**  trans-62.4142.3-178.3-70.1-60.4000114.2G178N176-G178 VanDerWaalsContact C-N 3.28Å; N176-G178 PolarHBondContact O-N 3.32Å; N176-G178 VanDerWaalsContact O-N 3.12Å
177P45.9Very low53.6Low125 Ų125124.4 Ų124.481%0.81271%0.711SS**SBendtrans-8528.2-173.735.6-37.7000115.1
178G44.2Very low55.3Low69 Ų69124.6 Ų124.671%0.71171%0.707SS**SBendtrans-90.7-10-165.400000118.3N176N176-G178 VanDerWaalsContact C-N 3.28Å; N176-G178 PolarHBondContact O-N 3.32Å; N176-G178 VanDerWaalsContact O-N 3.12Å
179M48.3Very low57Low155 Ų155123.1 Ų123.176%0.76469%0.689SS**SBendtrans-137.51.3-164.2-62.5-17770.400116.2N181M179-N181 PolarHBondContact O-N 3.39Å
180K54Low58.8Low137 Ų137116.8 Ų116.860%0.59667%0.665SS**Hα-helixtrans-80.5-12.6-169.9-64.9-172.5178.9-176.50115.2N184K180-N184 PolarHBondContact O-ND2 3.45Å
181N58.6Low60.9Low122 Ų122117.9 Ų117.965%0.65265%0.654SS**Hα-helixtrans-83.3-30-173.5-69.9-4.4000113.5M179 K185M179-N181 PolarHBondContact O-N 3.39Å; N181-K185 WeakPolarHBondContact O-CD 3Å; N181-K185 VanDerWaalsContact O-CG 3.32Å; N181-K185 WeakPolarHBondContact O-CG 3.37Å; N181-K185 PolarHBondContact O-N 3.06Å
182D56.7Low63Low103 Ų103120 Ų12055%0.55164%0.644SS**Hα-helixtrans-83.5-42.6-178-58.6-42.4000110.8N184 K185 E186D182-N184 VanDerWaalsContact C-N 3.31Å; D182-N184 PolarHBondContact O-N 2.69Å; D182-K185 PolarHBondContact O-N 3.17Å; D182-K185 VanDerWaalsContact O-N 3.09Å; D182-E186 WeakPolarHBondContact O-CG 3.33Å; D182-E186 PolarHBondContact O-N 3.39Å
183S60.1Low64.5Low60 Ų60123.3 Ų123.342%0.4264%0.636SS.*Hα-helixtrans-59.2-39.3174.8-50.10000112.9E186 I187S183-E186 PolarHBondContact O-N 3.42Å; S183-I187 WeakPolarHBondContact O-CB 3.43Å; S183-I187 WeakPolarHBondContact O-CD1 3.43Å; S183-I187 WeakPolarHBondContact O-CG1 2.95Å; S183-I187 PolarHBondContact O-N 3.42Å
184N69.6Low66.6Low98 Ų98118.2 Ų118.252%0.52462%0.616SS.*Hα-helixtrans-66.7-36.4176.4-79.9-49.9000112.3K180 D182 I187 E188K180-N184 PolarHBondContact O-ND2 3.45Å; D182-N184 VanDerWaalsContact C-N 3.31Å; D182-N184 PolarHBondContact O-N 2.69Å; N184-I187 PolarHBondContact O-N 3.45Å; N184-E188 WeakPolarHBondContact O-CB 3.41Å; N184-E188 PolarHBondContact O-N 2.93Å
185K79.5Confident68.5Low130 Ų130118.5 Ų118.557%0.56561%0.606SS**Hα-helixtrans-70.8-37.5174.7-70.8169.7-174.3171.30112.4N181 D182 E188 E189N181-K185 WeakPolarHBondContact O-CD 3Å; N181-K185 VanDerWaalsContact O-CG 3.32Å; N181-K185 WeakPolarHBondContact O-CG 3.37Å; N181-K185 PolarHBondContact O-N 3.06Å; D182-K185 PolarHBondContact O-N 3.17Å; D182-K185 VanDerWaalsContact O-N 3.09Å; K185-E188 PolarHBondContact O-N 3.45Å; K185-E189 WeakPolarHBondContact O-CB 3.42Å; K185-E189 PolarHBondContact O-N 3.14Å
186E75.3Confident70.4Confident133 Ų133116.9 Ų116.962%0.62160%0.596SS**Hα-helixtrans-65.4-39174-72.6177.2172.500111.4D182 S183 E189 A190D182-E186 WeakPolarHBondContact O-CG 3.33Å; D182-E186 PolarHBondContact O-N 3.39Å; S183-E186 PolarHBondContact O-N 3.42Å; E186-E189 PolarHBondContact O-N 2.93Å; E186-A190 VanDerWaalsContact O-CB 3.25Å; E186-A190 WeakPolarHBondContact O-CB 3.34Å; E186-A190 PolarHBondContact O-N 3.16Å
187I81.3Confident72.6Confident99 Ų99112.2 Ų112.251%0.50858%0.577SS.*Hα-helixtrans-65.7-42.9173.1-68.6164.2000110.9S183 N184 A190 M191S183-I187 WeakPolarHBondContact O-CB 3.43Å; S183-I187 WeakPolarHBondContact O-CD1 3.43Å; S183-I187 WeakPolarHBondContact O-CG1 2.95Å; S183-I187 PolarHBondContact O-N 3.42Å; N184-I187 PolarHBondContact O-N 3.45Å; I187-A190 PolarHBondContact O-N 3.45Å; I187-M191 WeakPolarHBondContact O-CB 3.34Å; I187-M191 WeakPolarHBondContact O-CG 3.23Å; I187-M191 PolarHBondContact O-N 3Å
188E82.4Confident74.3Confident141 Ų141111.9 Ų111.966%0.65956%0.564SS**Hα-helixtrans-64.4-42.3176-171.5177.5-17000111.8N184 K185 M191 K192N184-E188 WeakPolarHBondContact O-CB 3.41Å; N184-E188 PolarHBondContact O-N 2.93Å; K185-E188 PolarHBondContact O-N 3.45Å; E188-M191 PolarHBondContact O-N 3.12Å; E188-K192 WeakPolarHBondContact O-CB 3.49Å; E188-K192 PolarHBondContact O-N 3.31Å
189E83.3Confident76.3Confident98 Ų98112.2 Ų112.246%0.45856%0.556SS.*Hα-helixtrans-67.5-35.6175.7-155.1-166.2-163.500111.8K185 E186 K192 R193K185-E189 WeakPolarHBondContact O-CB 3.42Å; K185-E189 PolarHBondContact O-N 3.14Å; E186-E189 PolarHBondContact O-N 2.93Å; E189-K192 PolarHBondContact O-N 3.34Å; E189-R193 WeakPolarHBondContact O-CG 3.23Å; E189-R193 PolarHBondContact O-N 2.88Å; E189-R193 IonicContact OE1-CZ 3.34Å; E189-R193 IonicContact OE1-NH1 2.65Å; E189-R193 IonicContact OE1-NH2 2.69Å; E189-R193 PolarHBondContact OE1-NH2 2.87Å; E189-R193 IonicContact OE2-CZ 3.54Å; E189-R193 VanDerWaalsContact OE2-CZ 3.24Å; E189-R193 IonicContact OE2-NH1 3.74Å; E189-R193 PolarHBondContact OE2-NH1 3.34Å; E189-R193 IonicContact OE2-NH2 2.79Å; E189-R193 PolarHBondContact OE2-NH2 2.69Å
190A83.6Confident77.7Confident47 Ų47110.4 Ų110.439%0.38855%0.549SS..Hα-helixtrans-65.4-47.3172.200000111.7E186 I187 K192 R193 V194E186-A190 VanDerWaalsContact O-CB 3.25Å; E186-A190 WeakPolarHBondContact O-CB 3.34Å; E186-A190 PolarHBondContact O-N 3.16Å; I187-A190 PolarHBondContact O-N 3.45Å; A190-K192 VanDerWaalsContact C-N 3.28Å; A190-K192 PolarHBondContact O-N 2.54Å; A190-R193 PolarHBondContact O-N 3.19Å; A190-R193 VanDerWaalsContact O-N 3.16Å; A190-V194 WeakPolarHBondContact O-CG2 3.46Å; A190-V194 PolarHBondContact O-N 3.19Å
191M81.3Confident78.9Confident127 Ų127108.4 Ų108.463%0.62654%0.544SS*.Hα-helixtrans-60-38.1174.6-76.6-67.6-155.800112I187 E188 V194 R195I187-M191 WeakPolarHBondContact O-CB 3.34Å; I187-M191 WeakPolarHBondContact O-CG 3.23Å; I187-M191 PolarHBondContact O-N 3Å; E188-M191 PolarHBondContact O-N 3.12Å; M191-V194 PolarHBondContact O-N 2.86Å; M191-R195 PolarHBondContact O-N 2.79Å
192K90.4Very high79.7Confident151 Ų151106.3 Ų106.366%0.65754%0.539SS*.Hα-helixtrans-65.1-43.7173.7-172.2-178.1176.4-171.10112E188 E189 A190 V194 R195 E196E188-K192 WeakPolarHBondContact O-CB 3.49Å; E188-K192 PolarHBondContact O-N 3.31Å; E189-K192 PolarHBondContact O-N 3.34Å; A190-K192 VanDerWaalsContact C-N 3.28Å; A190-K192 PolarHBondContact O-N 2.54Å; K192-V194 VanDerWaalsContact C-N 3.35Å; K192-R195 PolarHBondContact O-N 2.85Å; K192-E196 WeakPolarHBondContact O-CB 3.46Å; K192-E196 PolarHBondContact O-N 2.65Å
193R81.2Confident80.2Confident132 Ų132105.2 Ų105.250%0.49854%0.544SS..Hα-helixtrans-63.5-37.2174.2-75.4179.9-177.4107.86.8112.6E189 A190 E196 A197E189-R193 WeakPolarHBondContact O-CG 3.23Å; E189-R193 PolarHBondContact O-N 2.88Å; E189-R193 IonicContact OE1-CZ 3.34Å; E189-R193 IonicContact OE1-NH1 2.65Å; E189-R193 IonicContact OE1-NH2 2.69Å; E189-R193 PolarHBondContact OE1-NH2 2.87Å; E189-R193 IonicContact OE2-CZ 3.54Å; E189-R193 VanDerWaalsContact OE2-CZ 3.24Å; E189-R193 IonicContact OE2-NH1 3.74Å; E189-R193 PolarHBondContact OE2-NH1 3.34Å; E189-R193 IonicContact OE2-NH2 2.79Å; E189-R193 PolarHBondContact OE2-NH2 2.69Å; A190-R193 PolarHBondContact O-N 3.19Å; A190-R193 VanDerWaalsContact O-N 3.16Å; R193-E196 PolarHBondContact O-N 3.02Å; R193-A197 VanDerWaalsContact O-CB 3.32Å; R193-A197 WeakPolarHBondContact O-CB 3.45Å; R193-A197 PolarHBondContact O-N 2.84Å
194V87.6Confident80.4Confident76 Ų76106.4 Ų106.446%0.46156%0.557SS.*Hα-helixtrans-63.3-44.6173.2170.40000110.5A190 M191 K192 A197 Q198A190-V194 WeakPolarHBondContact O-CG2 3.46Å; A190-V194 PolarHBondContact O-N 3.19Å; M191-V194 PolarHBondContact O-N 2.86Å; K192-V194 VanDerWaalsContact C-N 3.35Å; V194-A197 PolarHBondContact O-N 3.39Å; V194-Q198 WeakPolarHBondContact O-CB 3.21Å; V194-Q198 WeakPolarHBondContact O-CG 3.32Å; V194-Q198 PolarHBondContact O-N 3.19Å
195R88.3Confident80.4Confident190 Ų190107.6 Ų107.672%0.71756%0.562SS**Hα-helixtrans-65.6-37.7176.7-167.8176-66.1178.40.6112.7M191 K192 S199M191-R195 PolarHBondContact O-N 2.79Å; K192-R195 PolarHBondContact O-N 2.85Å; R195-S199 WeakPolarHBondContact O-CB 3.43Å; R195-S199 PolarHBondContact O-N 2.74Å
196E86.3Confident79.1Confident117 Ų117109.3 Ų109.355%0.54757%0.572SS.*Hα-helixtrans-65.5-44.6173.6-175.4177.1-17800111.7K192 R193 S199 L200K192-E196 WeakPolarHBondContact O-CB 3.46Å; K192-E196 PolarHBondContact O-N 2.65Å; R193-E196 PolarHBondContact O-N 3.02Å; E196-S199 PolarHBondContact O-N 3.27Å; E196-L200 HydrophobicContact CG-CD1 4.37Å; E196-L200 WeakPolarHBondContact O-CG 3.22Å; E196-L200 PolarHBondContact O-N 3.17Å
197A86.8Confident77.9Confident46 Ų46109.2 Ų109.238%0.3858%0.583SS.*Hα-helixtrans-63.6-43.1175.300000112R193 V194 S199 L200 I201R193-A197 VanDerWaalsContact O-CB 3.32Å; R193-A197 WeakPolarHBondContact O-CB 3.45Å; R193-A197 PolarHBondContact O-N 2.84Å; V194-A197 PolarHBondContact O-N 3.39Å; A197-S199 VanDerWaalsContact C-N 3.35Å; A197-S199 PolarHBondContact O-N 2.77Å; A197-L200 PolarHBondContact O-N 3.23Å; A197-I201 WeakPolarHBondContact O-CB 3.45Å; A197-I201 WeakPolarHBondContact O-CD1 3.45Å; A197-I201 WeakPolarHBondContact O-CG1 3.32Å; A197-I201 PolarHBondContact O-N 3.35Å
198Q80.9Confident76.3Confident118 Ų118107.2 Ų107.255%0.55159%0.587SS**Hα-helixtrans-60.9-42.5173.2-76175.7-22.400111.6V194 I201 S202V194-Q198 WeakPolarHBondContact O-CB 3.21Å; V194-Q198 WeakPolarHBondContact O-CG 3.32Å; V194-Q198 PolarHBondContact O-N 3.19Å; Q198-I201 PolarHBondContact O-N 3.48Å; Q198-S202 PolarHBondContact O-N 3.5Å; Q198-S202 PolarHBondContact O-OG 3.04Å
199S86.4Confident74.4Confident77 Ų77108.3 Ų108.354%0.53860%0.598SS.*Hα-helixtrans-63.5-40.71761800000112.8R195 E196 A197 I201 S202 A203R195-S199 WeakPolarHBondContact O-CB 3.43Å; R195-S199 PolarHBondContact O-N 2.74Å; E196-S199 PolarHBondContact O-N 3.27Å; A197-S199 VanDerWaalsContact C-N 3.35Å; A197-S199 PolarHBondContact O-N 2.77Å; S199-I201 VanDerWaalsContact C-N 3.35Å; S199-S202 PolarHBondContact O-N 3.27Å; S199-A203 WeakPolarHBondContact O-CB 3.39Å; S199-A203 PolarHBondContact O-N 2.98Å
200L78.4Confident73.1Confident116 Ų116113.6 Ų113.661%0.60762%0.619SS**Hα-helixtrans-64.9-37.5173.7-76.9165000112.3E196 A197 A204E196-L200 HydrophobicContact CG-CD1 4.37Å; E196-L200 WeakPolarHBondContact O-CG 3.22Å; E196-L200 PolarHBondContact O-N 3.17Å; A197-L200 PolarHBondContact O-N 3.23Å; L200-A204 WeakPolarHBondContact O-CB 3.35Å; L200-A204 PolarHBondContact O-N 3.08Å; L200-A204 VanDerWaalsContact O-N 3.15Å
201I78.3Confident71.5Confident96 Ų96120.5 Ų120.549%0.49264%0.641SS.*Hα-helixtrans-67.4-46.6175.3-70.8163.9000110.2A197 Q198 S199 A203 A204 I205A197-I201 WeakPolarHBondContact O-CB 3.45Å; A197-I201 WeakPolarHBondContact O-CD1 3.45Å; A197-I201 WeakPolarHBondContact O-CG1 3.32Å; A197-I201 PolarHBondContact O-N 3.35Å; Q198-I201 PolarHBondContact O-N 3.48Å; S199-I201 VanDerWaalsContact C-N 3.35Å; I201-A203 PolarHBondContact O-N 3.39Å; I201-A204 CarbonylContact O-C 3.57Å; I201-A204 PolarHBondContact O-N 3.33Å; I201-I205 HydrophobicContact CG2-CD1 3.5Å; I201-I205 VanDerWaalsContact CG2-CD1 3.5Å; I201-I205 HydrophobicContact CG2-CG1 4.23Å; I201-I205 WeakPolarHBondContact O-CB 3.46Å; I201-I205 WeakPolarHBondContact O-CG1 3.21Å; I201-I205 PolarHBondContact O-N 3.24Å
202S75.3Confident70.1Confident78 Ų78121.4 Ų121.455%0.54565%0.648SS.*Hα-helixtrans-58.3-45.3174.8-640000112Q198 S199 A204 I205 E206Q198-S202 PolarHBondContact O-N 3.5Å; Q198-S202 PolarHBondContact O-OG 3.04Å; S199-S202 PolarHBondContact O-N 3.27Å; S202-A204 PolarHBondContact O-N 2.77Å; S202-I205 PolarHBondContact O-N 2.73Å; S202-E206 WeakPolarHBondContact O-CB 3.45Å; S202-E206 PolarHBondContact O-N 2.88Å
203A68.4Low68.1Low79 Ų79120.6 Ų120.665%0.65365%0.65SS**Hα-helixtrans-66-17.4176.700000114.2S199 I201S199-A203 WeakPolarHBondContact O-CB 3.39Å; S199-A203 PolarHBondContact O-N 2.98Å; I201-A203 PolarHBondContact O-N 3.39Å
204A64.5Low66.8Low85 Ų85122.7 Ų122.770%0.70266%0.663SS**Hα-helixtrans-97.5-20.4175.400000113.6L200 I201 S202L200-A204 WeakPolarHBondContact O-CB 3.35Å; L200-A204 PolarHBondContact O-N 3.08Å; L200-A204 VanDerWaalsContact O-N 3.15Å; I201-A204 CarbonylContact O-C 3.57Å; I201-A204 PolarHBondContact O-N 3.33Å; S202-A204 PolarHBondContact O-N 2.77Å
205I69.2Low64.9Low123 Ų123129.6 Ų129.663%0.63168%0.681SS**Hα-helixtrans-96.9-26.5-178.3-70.5-179.1000112.3I201 S202 P207I201-I205 HydrophobicContact CG2-CD1 3.5Å; I201-I205 VanDerWaalsContact CG2-CD1 3.5Å; I201-I205 HydrophobicContact CG2-CG1 4.23Å; I201-I205 WeakPolarHBondContact O-CB 3.46Å; I201-I205 WeakPolarHBondContact O-CG1 3.21Å; I201-I205 PolarHBondContact O-N 3.24Å; S202-I205 PolarHBondContact O-N 2.73Å; I205-P207 WeakPolarHBondContact O-CD 3.41Å; I205-P207 VanDerWaalsContact O-N 3.1Å
206E51.1Low62.9Low166 Ų166129.2 Ų129.278%0.77669%0.685SS**SBendtrans-61.2111.5-179.4-166.4168.7-131.200111.3S202 G208S202-E206 WeakPolarHBondContact O-CB 3.45Å; S202-E206 PolarHBondContact O-N 2.88Å; E206-G208 PolarHBondContact O-N 2.82Å
207P51.8Low60.7Low131 Ų131131 Ų13185%0.85169%0.692SS**  trans-86.385.6-163.533.7-34000111.2I205I205-P207 WeakPolarHBondContact O-CD 3.41Å; I205-P207 VanDerWaalsContact O-N 3.1Å
208G47.4Very low58.5Low58 Ų58133.1 Ų133.160%0.59871%0.705SS**  trans98.599.7156.400000116.2E206E206-G208 PolarHBondContact O-N 2.82Å
209N42.8Very low56.5Low164 Ų164137.9 Ų137.988%0.87772%0.718SS**  trans-132.497.3139-97.1-53.4000109.3K211N209-K211 PolarHBondContact O-N 3.26Å; N209-K211 VanDerWaalsContact O-N 3.13Å
210K55.9Low54.2Low208 Ų208139 Ų13990%0.90473%0.726SS**  trans-68.2106.2173-73.2174.8179.2169.30109.2
211K48.6Very low52.2Low193 Ų193145.3 Ų145.384%0.83974%0.741SS**  trans-129.5130.6155.8-77.7-173.4176.7174.10110.1N209 D213N209-K211 PolarHBondContact O-N 3.26Å; N209-K211 VanDerWaalsContact O-N 3.13Å; K211-D213 PolarHBondContact O-N 2.91Å
212D52.7Low50.2Low146 Ų146146.2 Ų146.278%0.78176%0.756SS**  trans-68.7106.8-173.3-62-95.5000113
213D47.7Very low48.4Very low133 Ų133153.8 Ų153.871%0.71177%0.773SS**  trans-108.193.8171.9-127.7-30.6000112.2K211 R215K211-D213 PolarHBondContact O-N 2.91Å; D213-R215 VanDerWaalsContact C-N 3.26Å; D213-R215 PolarHBondContact O-N 3.49Å
214K54.9Low46.9Very low177 Ų177155.7 Ų155.777%0.7778%0.781SS**  trans-72.663-174.8-67.7169.7-179.6161.40113K216K214-K216 VanDerWaalsContact C-N 3.29Å; K214-K216 PolarHBondContact O-N 3.09Å
215R47.3Very low45.8Very low221 Ų221162.7 Ų162.783%0.83479%0.789SS**  trans-7971.1174.6-70-172.6179.3-175.70.8113D213 H217D213-R215 VanDerWaalsContact C-N 3.26Å; D213-R215 PolarHBondContact O-N 3.49Å; R215-H217 PolarHBondContact O-N 3.47Å
216K46Very low44.2Very low181 Ų181168.4 Ų168.479%0.78780%0.803SS**  trans-70.8100.4172.3-70.5-173.8177.1-178.50111.7K214 S218K214-K216 VanDerWaalsContact C-N 3.29Å; K214-K216 PolarHBondContact O-N 3.09Å; K216-S218 PolarHBondContact O-N 3.23Å
217H39.4Very low43.8Very low154 Ų154171.7 Ų171.771%0.71381%0.808SS**  trans-87.483.9167.7-168.684.5000111.7R215R215-H217 PolarHBondContact O-N 3.47Å
218S41Very low43.1Very low91 Ų91176.6 Ų176.664%0.63681%0.81SS**  trans-113.894.3178.257.60000112.9K216K216-S218 PolarHBondContact O-N 3.23Å
219R39.1Very low42.5Very low219 Ų219179.7 Ų179.783%0.82682%0.823SS**  trans-96.579.4168.7-90.6-174.1168.1125.2-1.2111.8R221R219-R221 PolarHBondContact O-N 3.4Å
220S39.4Very low42.2Very low101 Ų101183.2 Ų183.271%0.70682%0.824SS**  trans-79100.7-180-50.90000112.4S222S220-S222 PolarHBondContact O-N 2.67Å
221R34.8Very low41.4Very low248 Ų248178.8 Ų178.894%0.93682%0.818SS**  trans-89.681.8170.5-88.6-177.8168.9142.4-4.4111.8R219 R223R219-R221 PolarHBondContact O-N 3.4Å; R221-R223 PolarHBondContact O-N 3.43Å
222S37.3Very low40.9Very low114 Ų114181.3 Ų181.380%0.79782%0.823SS**  trans-70.3105.6177.4-62.10000112.5S220S220-S222 PolarHBondContact O-N 2.67Å
223R37.8Very low40.2Very low238 Ų238183 Ų18390%0.89883%0.826SS**  trans-96.196168.4-79.1179.6169154.5-4.5110.4R221 R225R221-R223 PolarHBondContact O-N 3.43Å; R223-R225 PolarHBondContact O-N 3.44Å
224S36.9Very low39.7Very low119 Ų119188.7 Ų188.783%0.83284%0.837SS**  trans-69.3112.9176.2570000111.4R226S224-R226 PolarHBondContact O-N 3.26Å
225R40.6Very low38.9Very low231 Ų231191.2 Ų191.287%0.87284%0.842SS**  trans-96.688170-79.2-175.8174160.8-2.2110.2R223 R227R223-R225 PolarHBondContact O-N 3.44Å; R225-R227 PolarHBondContact O-N 3.18Å
226R37Very low38.5Very low243 Ų243186.4 Ų186.492%0.91784%0.842SS**  trans-42.3102.2171.7-156.2176.9-167.5-175.54.2111.1S224S224-R226 PolarHBondContact O-N 3.26Å
227R41.9Very low38Very low235 Ų235186.1 Ų186.189%0.88784%0.841SS**PPolyproline II helixtrans-84.1123.4172.7-76.6-170.2174.8-170.6-0109.4R225R225-R227 PolarHBondContact O-N 3.18Å
228R35.8Very low37.9Very low234 Ų234184.2 Ų184.288%0.88385%0.845SS**PPolyproline II helixtrans-76.5121.4177.5-72176166111.6-7.4110.1
229S35.2Very low37.7Very low124 Ų124190.5 Ų190.587%0.86786%0.855SS**PPolyproline II helixtrans-70.6126.7167.2-50.30000110
230R37.9Very low37.9Very low238 Ų238185.4 Ų185.490%0.89885%0.853SS**  trans-129.3124.6164.4-88.2-176.2170.9154.9-3.8108.9
231S37.5Very low37.9Very low114 Ų114192.1 Ų192.180%0.79786%0.862SS**  trans-69.8148.7-17547.80000112.9
232R38.9Very low38Very low247 Ų247192 Ų19293%0.93286%0.862SS**  trans-143.1118.4149.1-73.2-163.2170.7153.1-1.5110.2
233H37.7Very low37.9Very low182 Ų182198 Ų19884%0.84387%0.867SS**  trans-51.6151.4172.8-76-52.1000113.1
234R37.3Very low37.8Very low251 Ų251192.3 Ų192.395%0.94786%0.864SS**  trans-129.4116.9135.5-74.2-167.8171.2174-2110.1
235R38.2Very low37.6Very low230 Ų230193.1 Ų193.187%0.86885%0.854SS**  trans-63.4131.7170.2-83.9172.4158.5145-7.2109.4
236S38.6Very low37.4Very low120 Ų120187.4 Ų187.484%0.83985%0.85SS**  trans-66.6130.9156.138.20000109.2
237K35.3Very low37.5Very low175 Ų175185.9 Ų185.976%0.76184%0.844SS**  trans-150.792.7165.9-161.9161-169.6168.30111
238S37.1Very low37.3Very low114 Ų114180.2 Ų180.280%0.79784%0.84SS**  trans-59.4135.8169.3-42.60000110.2
239R38.1Very low37.4Very low224 Ų224180.8 Ų180.885%0.84584%0.842SS**  trans-161.2109.3153.6-113.2166.1-167.6-179.42110.4
240S43.1Very low37.4Very low112 Ų112185.2 Ų185.278%0.78384%0.84SS**  trans-66.1148.7163.349.50000110.3
241R38.7Very low37.2Very low241 Ų241183.8 Ų183.891%0.90984%0.835SS**  trans-166.2114.9145.7-107.4160-166.7-168.72109.8
242R36.8Very low37.1Very low246 Ų246183.3 Ų183.393%0.92883%0.831SS**  trans-59.8144.9165.2-62.7173.6173.9-176.7-3.2109.1
243R34.8Very low36.8Very low241 Ų241182 Ų18291%0.90983%0.832SS**  trans-163.5122.8139.4-111166.4-173.7134.22.3110.2
244S35.9Very low36.6Very low118 Ų118178.7 Ų178.783%0.82583%0.83SS**  trans-70145.1171.430.60000110.5
245H33.8Very low37.2Very low136 Ų136171.5 Ų171.563%0.6382%0.816SS**  trans-150.4103.6153.6-16063.1000111.8R247H245-R247 VanDerWaalsContact NE2-CD 3.33Å; H245-R247 WeakPolarHBondContact NE2-CD 3.25Å; H245-R247 PolarHBondContact NE2-NE 3.45Å
246S36.2Very low37.2Very low111 Ų111170.9 Ų170.978%0.77681%0.813SS**  trans-78128.8167.239.10000109.6
247R38.5Very low37.1Very low211 Ų211174.9 Ų174.980%0.79681%0.81SS**  trans-153.1101.5160.6-110.8174.8-157.9157.81.9111.1H245H245-R247 VanDerWaalsContact NE2-CD 3.33Å; H245-R247 WeakPolarHBondContact NE2-CD 3.25Å; H245-R247 PolarHBondContact NE2-NE 3.45Å
248S37.7Very low37Very low115 Ų115177.6 Ų177.680%0.80482%0.815SS**  trans-71.7134.9164490000110
249R38.3Very low36.7Very low246 Ų246182.3 Ų182.393%0.92882%0.822SS**  trans-138.3121.6154.1-79.9-164.2169.4163.9-3.3109.9
250R35.1Very low36.4Very low217 Ų217176.8 Ų176.882%0.81982%0.817SS**  trans-81.5175.2-178-66.3177.3163.6-167.4-5.1111.7
251R33.1Very low35.8Very low209 Ų209180.3 Ų180.379%0.78982%0.821SS**  trans83.194.9146.8-83.8172.9175159.1-3.5119.5
252S35.6Very low35.6Very low103 Ų103173.1 Ų173.172%0.7281%0.808SS**  51.4114115.262.60000120.4
253K32.3Very low35.6Very low219 Ų219172.4 Ų172.495%0.95281%0.805SS**  trans-158.9130.8139.5-119.7160-177.1172.40114.4
254S34.2Very low35.5Very low114 Ų114168.6 Ų168.680%0.79780%0.797SS**  trans-152.5163162.2-1610000104.5
255P50.8Low35.4Very low100 Ų100174 Ų17465%0.64980%0.8SS**  cis-133-153.64.431.3-6.6000112.6
256R37.3Very low35.4Very low217 Ų217171.4 Ų171.482%0.81981%0.809SS**  trans82.1152.7165.4-53.1175.9178.4-169.5-0.6115.5
257R35.8Very low35.3Very low204 Ų204177.8 Ų177.877%0.7782%0.816SS**  cis-157.7157-13.4-120.3176.9174.3-163.50110.2
258R33.7Very low34.9Very low231 Ų231179.8 Ų179.887%0.87282%0.824SS**  trans-7.8142.6158.4-61.2173.1169.5174.6-5.1119.5
259K31Very low34.7Very low214 Ų214179.7 Ų179.793%0.9382%0.823SS**  trans-140.9142.4139.5-161.6162.4-174.1173.50111
260S31.7Very low34.4Very low107 Ų107176.8 Ų176.875%0.74882%0.817SS**  trans-121.2142.5-175.245.30000110.5
261H31.2Very low34.3Very low186 Ų186171.6 Ų171.686%0.86181%0.814SS**  trans-153.5176.2159.3-155.7-107.7000112.4
262S34.7Very low34.5Very low91 Ų91171.2 Ų171.264%0.63681%0.813SS**  trans-89.9177.2-139.9680000118.1
263R35.3Very low34.7Very low230 Ų230173.1 Ų173.187%0.86882%0.815SS**  trans-80.2158173-58.8169.6167.6148-6.5112.1
264E33.3Very low34.9Very low161 Ų161173.2 Ų173.275%0.75281%0.809SS**  trans74.1114.8140.5-134.6-178.8-106.600121.7
265R34.3Very low35Very low233 Ų233178.3 Ų178.388%0.87981%0.811SS**  156.1142.7117.8-83.8172.4-177.3-176.10.5110.5
266G32.5Very low34.3Very low80 Ų80183.4 Ų183.483%0.82582%0.823SS**  trans148.174.5171.300000116.1
267R34.4Very low34.3Very low245 Ų245180.4 Ų180.493%0.92582%0.818SS**  trans-70138.2174.5-56.5166.4178.7171.7-2.7111.1
268R30Very low34.4Very low253 Ų253177.7 Ų177.796%0.95582%0.819SS**  -174125.2127.6-108.5166.4177.6142.2-0.7114.1
269S34Very low34.7Very low113 Ų113176.7 Ų176.779%0.7982%0.821SS**  trans-88.9144161.843.30000110.2
270K33.1Very low35Very low186 Ų186170.3 Ų170.381%0.80980%0.803SS**  trans-157.5106.9155.7-134.2170.3-173.6175.50112.5
271S32.7Very low35.5Very low108 Ų108173.3 Ų173.376%0.75580%0.803SS**  trans-74.2144.3152.9163.30000108.8
272R37.2Very low35.9Very low201 Ų201173.4 Ų173.476%0.75880%0.801SS**  trans-166.2107.9145.7-110.7169.8-167.3-173.52.8111.5
273D39.8Very low35.9Very low142 Ų142179.8 Ų179.876%0.75981%0.811SS**  trans-51.6146.1149.4-99.1-70.8000111.3
274R37Very low36Very low222 Ų222173.3 Ų173.384%0.83880%0.801SS**  trans-169112.2140.7-105.9160.2-165.7-164.20.7111.1
275R35.1Very low36.3Very low221 Ų221174.3 Ų174.383%0.83480%0.803SS**  trans-54.7148.1160.7-72.1173165.4177.4-7.7110.8
276K36.1Very low36.6Very low206 Ų206169.9 Ų169.990%0.89680%0.802SS**  trans-148.8126.8131.1-144.9175.5-177.3-175.70110.1
277E36.6Very low37.3Very low155 Ų155171.3 Ų171.372%0.72480%0.796SS**  trans-74.5152.9168.7-68.5156.2114.900109.4
278D38.5Very low37.9Very low146 Ų146165 Ų16578%0.78179%0.787SS**  174.1114112-107-50000112.9
279K40.1Very low38.3Very low211 Ų211162 Ų16292%0.91778%0.781SS**  trans-155.690.1131.9-131.4172.3-174.3174.30111.7
280S37.4Very low38.3Very low79 Ų79161.7 Ų161.755%0.55278%0.779SS**  trans-51.8144.8165.956.30000113.3
281K42.8Very low38.3Very low170 Ų170163.4 Ų163.474%0.73978%0.782SS**  175.5123.8104.3-95.2157.2-172.4174.30114.5
282K40.1Very low38.5Very low188 Ų188162.6 Ų162.682%0.81778%0.776SS**  trans71.8144.3148.9-55.4169.2-176.2-178.20115.6
283R34.3Very low38.6Very low225 Ų225157.4 Ų157.485%0.84977%0.771SS**  cis-146.4134.33.9-148.9170.2-175.8168.4-3.2110.8
284S36.3Very low38.4Very low95 Ų95156.6 Ų156.666%0.66477%0.771SS**  trans-62.4155.317147.80000113.4
285K39.5Very low38.3Very low181 Ų181157.8 Ų157.879%0.78778%0.775SS**  169.2113.3114.6-89.7161.6-178.8-168.50113
286T42.1Very low38.3Very low141 Ų141157.4 Ų157.487%0.86577%0.774SS**  trans-122.8120.8137.848.10000106.1
287P47.2Very low38.3Very low109 Ų109153.3 Ų153.371%0.70877%0.771SS**  -151.7-177113.938.4-20.6000112.6
288P45.7Very low38.5Very low112 Ų112156.5 Ų156.573%0.72778%0.777SS**  cis-131.8161.6-42.836.3-20.9000113.5
289K38Very low38.4Very low192 Ų192155.3 Ų155.384%0.83578%0.78SS**  trans53110.9132.9-157.9177.5-173.6-177.40120.6
290S33.9Very low38.5Very low105 Ų105152.5 Ų152.573%0.73477%0.773SS**  trans67.8114.5144.864.10000122
291Y33.7Very low38.3Very low222 Ų222156.6 Ų156.687%0.87179%0.789SS**  -110.2158123.9-173.2-108.7000109.3
292S37.5Very low38.1Very low92 Ų92157.7 Ų157.764%0.64379%0.788SS**  trans-140.8115.8-162.6156.70000112.8
293S39Very low37.9Very low92 Ų92159.4 Ų159.464%0.64379%0.79SS**  trans-169.6127.8164.9520000108.2
294T35.7Very low37.8Very low124 Ų124160.4 Ų160.476%0.76179%0.793SS**SBendcis-155.7127.70-61.10000108.1
295R34.8Very low37.9Very low247 Ų247167 Ų16793%0.93280%0.804SS**  trans162.7112.5133.3-88.3171.5-164.5-114.51.1108.8
296R35Very low37.6Very low213 Ų213170.2 Ų170.280%0.80481%0.811SS**  trans-139.5119.1-177.4-173.4-167.8-163.9117.6-11.6108.2
297S35.5Very low37.2Very low121 Ų121169.2 Ų169.285%0.84681%0.81SS**  trans-154.7143.5141.949.30000109.2
298R42.1Very low36.6Very low222 Ų222175.8 Ų175.884%0.83882%0.82SS**  trans-127.7155.4174.9-65.5172.9172.5142.7-3.8106.1
299S37Very low36Very low120 Ų120176.6 Ų176.684%0.83983%0.829SS**  trans-149.4134135.255.60000111.4
300I40.5Very low36Very low152 Ų152172.1 Ų172.178%0.77983%0.828SS**  trans-110.7132.6158.7-74.6166.8000103.6R302I300-R302 HydrophobicContact CG2-CG 4.37Å
301N33.9Very low35.9Very low166 Ų166172.1 Ų172.189%0.88883%0.827SS**  trans-111.6149.9167.2-142.1-12.2000111.4
302R38.7Very low35.8Very low192 Ų192172.6 Ų172.673%0.72583%0.828SS**  trans-126.2137.2-161.5-84.5178.9176.2164.9-1.1113.1I300I300-R302 HydrophobicContact CG2-CG 4.37Å
303R35Very low35.6Very low225 Ų225173.7 Ų173.785%0.84984%0.835SS**  trans70.5119.9143.6-66169.9172-175.1-2.8121.5
304R33.9Very low35.7Very low245 Ų245175.3 Ų175.393%0.92584%0.844SS**  trans-147.6155.4131.3-66.4-173.4-179.7-171.90.1107.5
305R36.5Very low36Very low234 Ų234179 Ų17988%0.88385%0.849SS**  cis-141.8114.4-35.6-106.7-166.8177.5-1700.8108.3
306R34.6Very low36.1Very low249 Ų249177.2 Ų177.294%0.9485%0.848SS**  trans12.8115.9139.3-176.5-176.5-172162.21.8118.3
307S32.8Very low36.2Very low119 Ų119172 Ų17283%0.83284%0.844SS**  trans-143.1135.7135.858.80000110.6
308R35.9Very low36.8Very low247 Ų247178.5 Ų178.593%0.93285%0.85SS**  trans-135123.9170.5-91.2-177.3173.1162.6-4.1105.4
309S31.8Very low36.6Very low130 Ų130172.6 Ų172.691%0.90984%0.843SS**  trans-127.8119.4159.7-63.30000106.9
310A37.8Very low36.9Very low98 Ų98172.5 Ų172.581%0.8184%0.84SS**  trans-102135176.500000108.9
311S31.5Very low36.9Very low104 Ų104175 Ų17573%0.72785%0.845SS**  trans176.3163.3131.756.20000111.5
312R32.4Very low37.3Very low233 Ų233178.3 Ų178.388%0.87985%0.845SS**  trans71.6100.7165-56.2178.7-175.5-178.5-0.1117
313S33.7Very low37.2Very low115 Ų115178.8 Ų178.880%0.80485%0.852SS**  trans-63.6153.8144.3-460000109.4
314P40Very low37.4Very low126 Ų126175.4 Ų175.482%0.81885%0.85SS**  -138179.382.630.7-12.1000114.9
315K43.3Very low37.8Very low202 Ų202169.6 Ų169.688%0.87885%0.847SS**  trans-84.3167.7177.3-62.1177.7178.8175.50111.7
316K36.5Very low38Very low209 Ų209169.7 Ų169.791%0.90985%0.848SS**  trans77.8149.1-177.6-72.7174.5168.8179.10112.9
317S36.9Very low38.1Very low103 Ų103162.6 Ų162.672%0.7284%0.836SS**  cis-121.714021.148.70000115.5
318R47.9Very low38.7Very low257 Ų257163.1 Ų163.197%0.9784%0.837SS**  trans-101.8118.2160-129.6180-179155-0.3105.8
319S38.8Very low39Very low99 Ų99156.6 Ų156.669%0.69283%0.829SS**  trans-106.7164.4177.4-53.10000110.1
320P42.4Very low39.9Very low118 Ų118156.1 Ų156.177%0.76682%0.823SS**  -111.7131.4-85.514.93.3000111.7R322P320-R322 PolarHBondContact O-N 2.91Å
321K40.6Very low40.8Very low204 Ų204163.2 Ų163.289%0.88783%0.828SS**  trans-71.2123.2166.6-76.2-164.8172.1-166.20109.4K323K321-K323 PolarHBondContact O-N 2.82Å
322R41.9Very low41.8Very low235 Ų235167.1 Ų167.189%0.88783%0.827SS**  trans-44.7127.8171.1-71.5167.165.2177.30.9110P320 L324P320-R322 PolarHBondContact O-N 2.91Å; R322-L324 PolarHBondContact O-N 3.19Å
323K37.4Very low43.1Very low203 Ų203163.3 Ų163.388%0.88382%0.819SS**  trans-78.8118.4173.3-65-172.3-1781790108.6K321K321-K323 PolarHBondContact O-N 2.82Å
324L37.6Very low44.2Very low154 Ų154167 Ų16781%0.80682%0.821SS**  trans-85.4128.8147.5-92.672.2000107R322 R326R322-L324 PolarHBondContact O-N 3.19Å; L324-R326 PolarHBondContact O-N 2.71Å
325S43.6Very low44.9Very low123 Ų123169.4 Ų169.486%0.8682%0.818SS**  trans-6698.317035.10000109.7
326R41.1Very low45.6Very low236 Ų236162.8 Ų162.889%0.89179%0.793SS**  trans-120.4106.8163.6-153.984-179.1-153.45107.6L324L324-R326 PolarHBondContact O-N 2.71Å
327S37Very low47Very low100 Ų100160.9 Ų160.970%0.69978%0.784SS**  trans-55.1143.5-174.5-42.40000111.8S329S327-S329 PolarHBondContact O-N 3.09Å
328P44.2Very low48.3Very low130 Ų130162.3 Ų162.384%0.84478%0.777SS**  trans-74.689.9-179.230.5-34.2000111
329S43.4Very low49.3Very low109 Ų109156.7 Ų156.776%0.76276%0.76SS**  trans-61146.8171.3-60.30000111.6S327S327-S329 PolarHBondContact O-N 3.09Å
330P50Low50.4Low120 Ų120155.4 Ų155.478%0.77975%0.745SS**  trans-65.4155.3-170.1-21.133.5000113.7R332P330-R332 PolarHBondContact O-N 3.05Å
331R56.1Low51.8Low247 Ų247157.1 Ų157.193%0.93274%0.741SS**  trans-47.394.1178-74.4167.5131.7-179.3-2.2113H333R331-H333 PolarHBondContact O-N 3.12Å
332R53.5Low53Low187 Ų187151.9 Ų151.971%0.70672%0.719SS**  trans-61134.6166.8-91.6-171.2172.8-161.1-0.3110.6P330 D340P330-R332 PolarHBondContact O-N 3.05Å; R332-D340 IonicContact NH1-OD2 3.53Å; R332-D340 PolarHBondContact NH1-OD2 3.22Å; R332-D340 VanDerWaalsContact NH1-OD2 3.1Å
333H59Low54.2Low152 Ų152148.1 Ų148.170%0.70471%0.705SS**  trans-68.9152.6-179.3-96.8-104.2000111.4R331 K335 D336R331-H333 PolarHBondContact O-N 3.12Å; H333-K335 PolarHBondContact O-N 3.12Å; H333-D336 PolarHBondContact O-N 3.34Å
334K56.9Low55.5Low194 Ų194144.5 Ų144.584%0.84369%0.692SS**THydrogen-bonded Turntrans-54.9-18.8-177.4-165.9175-178.5179.70114.3K338K334-K338 PolarHBondContact O-N 2.92Å
335K54.9Low56.9Low175 Ų175143.3 Ų143.376%0.76168%0.68SS**THydrogen-bonded Turntrans-71.1-41176.6-167.9177-179.7-177.20112.5H333 K338 K339H333-K335 PolarHBondContact O-N 3.12Å; K335-K338 WeakPolarHBondContact O-CB 3.37Å; K335-K338 PolarHBondContact O-N 3.29Å; K335-K338 VanDerWaalsContact O-N 3.15Å; K335-K339 PolarHBondContact O-N 3.12Å; K335-K339 VanDerWaalsContact O-N 3.11Å
336D57.3Low57.9Low64 Ų64142 Ų14234%0.34266%0.663SS.*Hα-helixtrans-70.8-41-177.5-52.4-47.1000110.7H333 K338 K339 D340H333-D336 PolarHBondContact O-N 3.34Å; D336-K338 PolarHBondContact O-N 2.84Å; D336-K338 VanDerWaalsContact O-N 3.17Å; D336-K339 PolarHBondContact O-N 3.16Å; D336-D340 PolarHBondContact O-N 3.31Å
337K65.9Low59.1Low169 Ų169139 Ų13974%0.73565%0.652SS**Hα-helixtrans-60.8-23.9172-172164.5-175.4167.10113.5K341K337-K341 WeakPolarHBondContact O-CB 3.4Å; K337-K341 PolarHBondContact O-N 3.17Å
338K65.8Low60.2Low132 Ų132139.6 Ų139.657%0.57465%0.647SS**Hα-helixtrans-77.2-44.1170.7-168.3-171.7176-1480111.1K334 K335 D336 K341 E342K334-K338 PolarHBondContact O-N 2.92Å; K335-K338 WeakPolarHBondContact O-CB 3.37Å; K335-K338 PolarHBondContact O-N 3.29Å; K335-K338 VanDerWaalsContact O-N 3.15Å; D336-K338 PolarHBondContact O-N 2.84Å; D336-K338 VanDerWaalsContact O-N 3.17Å; K338-K341 PolarHBondContact O-N 3.34Å; K338-E342 WeakPolarHBondContact CE-OE1 3.42Å; K338-E342 IonicContact NZ-OE1 3.78Å; K338-E342 PolarHBondContact NZ-OE1 3.13Å; K338-E342 VanDerWaalsContact NZ-OE1 3.11Å; K338-E342 PolarHBondContact O-N 3.5Å
339K67.7Low61.2Low140 Ų140139 Ų13961%0.60963%0.628SS**Hα-helixtrans-63.3-43.9179.7-169.3178.5-179.5-1760112K335 D336 K341 E342 R343K335-K339 PolarHBondContact O-N 3.12Å; K335-K339 VanDerWaalsContact O-N 3.11Å; D336-K339 PolarHBondContact O-N 3.16Å; K339-K341 VanDerWaalsContact C-N 3.33Å; K339-K341 PolarHBondContact O-N 2.92Å; K339-E342 PolarHBondContact O-N 3.15Å; K339-R343 WeakPolarHBondContact O-CB 3.45Å; K339-R343 PolarHBondContact O-N 2.9Å
340D61.8Low62.2Low71 Ų71135.4 Ų135.438%0.3861%0.608SS.*Hα-helixtrans-64.2-38.2176.4-68.4-29.2000111.2R332 D336 R343 E344R332-D340 IonicContact NH1-OD2 3.53Å; R332-D340 PolarHBondContact NH1-OD2 3.22Å; R332-D340 VanDerWaalsContact NH1-OD2 3.1Å; D336-D340 PolarHBondContact O-N 3.31Å; D340-R343 PolarHBondContact O-N 3.43Å; D340-E344 PolarHBondContact O-N 3.07Å
341K73.2Confident62.9Low154 Ų154139.3 Ų139.367%0.6761%0.607SS**Hα-helixtrans-69.1-32.9175.2-176.2167.1-176.7169.10114K337 K338 K339 K345K337-K341 WeakPolarHBondContact O-CB 3.4Å; K337-K341 PolarHBondContact O-N 3.17Å; K338-K341 PolarHBondContact O-N 3.34Å; K339-K341 VanDerWaalsContact C-N 3.33Å; K339-K341 PolarHBondContact O-N 2.92Å; K341-K345 WeakPolarHBondContact O-CB 3.34Å; K341-K345 PolarHBondContact O-N 2.98Å
342E65.1Low63.5Low94 Ų94133.5 Ų133.544%0.43959%0.589SS.*Hα-helixtrans-67.5-42169.9-80.4168.6179.600110.2K338 K339 E344 K345 D346K338-E342 WeakPolarHBondContact CE-OE1 3.42Å; K338-E342 IonicContact NZ-OE1 3.78Å; K338-E342 PolarHBondContact NZ-OE1 3.13Å; K338-E342 VanDerWaalsContact NZ-OE1 3.11Å; K338-E342 PolarHBondContact O-N 3.5Å; K339-E342 PolarHBondContact O-N 3.15Å; E342-E344 PolarHBondContact O-N 3.21Å; E342-K345 PolarHBondContact O-N 2.96Å; E342-K345 VanDerWaalsContact O-N 3.11Å; E342-D346 PolarHBondContact O-N 3.23Å
343R66.9Low64Low157 Ų157128.5 Ų128.559%0.59258%0.576SS**Hα-helixtrans-65.6-35.9179.2-142.6175.5-167.5-176.80.6113.7K339 D340 R347K339-R343 WeakPolarHBondContact O-CB 3.45Å; K339-R343 PolarHBondContact O-N 2.9Å; D340-R343 PolarHBondContact O-N 3.43Å; R343-R347 WeakPolarHBondContact O-CG 3.36Å; R343-R347 PolarHBondContact O-N 2.97Å
344E64.2Low64.3Low127 Ų127125.7 Ų125.759%0.59357%0.569SS**Hα-helixtrans-64.7-45.7168.3-77.8-174.7151.600111.7D340 E342 D346 R347 D348D340-E344 PolarHBondContact O-N 3.07Å; E342-E344 PolarHBondContact O-N 3.21Å; E344-D346 VanDerWaalsContact C-N 3.25Å; E344-D346 PolarHBondContact O-N 2.69Å; E344-R347 WeakPolarHBondContact O-CB 3.38Å; E344-R347 PolarHBondContact O-N 2.86Å; E344-R347 VanDerWaalsContact O-N 3.1Å; E344-D348 PolarHBondContact O-N 3.49Å
345K67.8Low64.9Low128 Ų128125.9 Ų125.956%0.55757%0.565SS**Hα-helixtrans-65-29.1-178.5-161178.9-178.31790113K341 E342 R349K341-K345 WeakPolarHBondContact O-CB 3.34Å; K341-K345 PolarHBondContact O-N 2.98Å; E342-K345 PolarHBondContact O-N 2.96Å; E342-K345 VanDerWaalsContact O-N 3.11Å; K345-R349 VanDerWaalsContact O-CG 3.31Å; K345-R349 WeakPolarHBondContact O-CG 3.49Å; K345-R349 PolarHBondContact O-N 2.79Å
346D63.9Low65.5Low95 Ų95120.6 Ų120.651%0.50855%0.545SS..Hα-helixtrans-77-34173.4-67-23.1000112.4E342 E344 R349 G350E342-D346 PolarHBondContact O-N 3.23Å; E344-D346 VanDerWaalsContact C-N 3.25Å; E344-D346 PolarHBondContact O-N 2.69Å; D346-R349 PolarHBondContact O-N 3.37Å; D346-R349 IonicContact OD1-CZ 3.1Å; D346-R349 IonicContact OD1-NH1 3.11Å; D346-R349 PolarHBondContact OD1-NH1 3.25Å; D346-G350 PolarHBondContact O-N 2.87Å
347R65.8Low66Low173 Ų173125.5 Ų125.565%0.65356%0.559SS**Hα-helixtrans-64.5-42.9171-73.7168.4173.9169.6-5.7112.2R343 E344 R349 G350 R351R343-R347 WeakPolarHBondContact O-CG 3.36Å; R343-R347 PolarHBondContact O-N 2.97Å; E344-R347 WeakPolarHBondContact O-CB 3.38Å; E344-R347 PolarHBondContact O-N 2.86Å; E344-R347 VanDerWaalsContact O-N 3.1Å; R347-R349 VanDerWaalsContact C-N 3.33Å; R347-R349 PolarHBondContact O-N 2.87Å; R347-G350 PolarHBondContact O-N 3.16Å; R347-R351 WeakPolarHBondContact O-CB 3.36Å; R347-R351 PolarHBondContact O-N 3.46Å
348D61.2Low65.9Low113 Ų113121 Ų12160%0.60455%0.548SS*.Hα-helixtrans-62.8-38.5175.7-92.8-12.7000112.3E344 R351 K352E344-D348 PolarHBondContact O-N 3.49Å; D348-R351 PolarHBondContact O-N 2.93Å; D348-K352 PolarHBondContact O-N 3.44Å
349R64.6Low66.1Low119 Ų119120 Ų12045%0.44955%0.546SS..Hα-helixtrans-63.1-50.3173.2-73.9173.2-176.2125.2-21.8111.4K345 D346 R347 R351 K352 D353K345-R349 VanDerWaalsContact O-CG 3.31Å; K345-R349 WeakPolarHBondContact O-CG 3.49Å; K345-R349 PolarHBondContact O-N 2.79Å; D346-R349 PolarHBondContact O-N 3.37Å; D346-R349 IonicContact OD1-CZ 3.1Å; D346-R349 IonicContact OD1-NH1 3.11Å; D346-R349 PolarHBondContact OD1-NH1 3.25Å; R347-R349 VanDerWaalsContact C-N 3.33Å; R347-R349 PolarHBondContact O-N 2.87Å; R349-R351 VanDerWaalsContact C-N 3.29Å; R349-R351 PolarHBondContact O-N 3.41Å; R349-K352 CarbonylContact O-C 3.59Å; R349-K352 WeakPolarHBondContact O-CA 3.16Å; R349-K352 WeakPolarHBondContact O-CB 3.43Å; R349-K352 PolarHBondContact O-N 2.86Å; R349-D353 VanDerWaalsContact O-CG 3.31Å; R349-D353 PolarHBondContact O-N 3.19Å
350G65.5Low66Low33 Ų33117.6 Ų117.634%0.3454%0.54SS..Hα-helixtrans-58-40.317700000112.8D346 R347 K352 D353 V354D346-G350 PolarHBondContact O-N 2.87Å; R347-G350 PolarHBondContact O-N 3.16Å; G350-K352 VanDerWaalsContact C-N 3.3Å; G350-K352 PolarHBondContact O-N 3.36Å; G350-D353 PolarHBondContact O-N 2.85Å; G350-V354 WeakPolarHBondContact O-CG2 3.38Å; G350-V354 PolarHBondContact O-N 2.98Å
351R64.5Low65.9Low201 Ų201120.7 Ų120.776%0.75855%0.552SS**Hα-helixtrans-64.9-33.4175.1-164.1178.5-169.3-168.54.4112.5R347 D348 R349 R355R347-R351 WeakPolarHBondContact O-CB 3.36Å; R347-R351 PolarHBondContact O-N 3.46Å; D348-R351 PolarHBondContact O-N 2.93Å; R349-R351 VanDerWaalsContact C-N 3.29Å; R349-R351 PolarHBondContact O-N 3.41Å; R351-R355 PolarHBondContact O-N 2.88Å
352K68.2Low65.7Low125 Ų125122.7 Ų122.754%0.54356%0.555SS.*Hα-helixtrans-71-47.7173.2-164.8-168.6174.9-146.40111.7D348 R349 G350 V354 R355 D356D348-K352 PolarHBondContact O-N 3.44Å; R349-K352 CarbonylContact O-C 3.59Å; R349-K352 WeakPolarHBondContact O-CA 3.16Å; R349-K352 WeakPolarHBondContact O-CB 3.43Å; R349-K352 PolarHBondContact O-N 2.86Å; G350-K352 VanDerWaalsContact C-N 3.3Å; G350-K352 PolarHBondContact O-N 3.36Å; K352-V354 VanDerWaalsContact C-N 3.26Å; K352-V354 PolarHBondContact O-N 2.91Å; K352-R355 WeakPolarHBondContact O-CA 3.41Å; K352-R355 WeakPolarHBondContact O-CB 3.43Å; K352-R355 PolarHBondContact O-N 3.27Å; K352-D356 VanDerWaalsContact CE-OD2 3.24Å; K352-D356 WeakPolarHBondContact CE-OD2 3.36Å; K352-D356 IonicContact NZ-OD2 2.67Å; K352-D356 PolarHBondContact NZ-OD2 3.09Å; K352-D356 PolarHBondContact O-N 2.92Å
353D63.8Low65.5Low82 Ų82123.3 Ų123.344%0.43956%0.558SS.*Hα-helixtrans-60.7-35.3-178.6-62.7-26.9000112R349 G350 R357R349-D353 VanDerWaalsContact O-CG 3.31Å; R349-D353 PolarHBondContact O-N 3.19Å; G350-D353 PolarHBondContact O-N 2.85Å; D353-R357 WeakPolarHBondContact O-CB 3.43Å; D353-R357 VanDerWaalsContact O-CG 3.26Å; D353-R357 WeakPolarHBondContact O-CG 3.35Å; D353-R357 PolarHBondContact O-N 3.24Å; D353-R357 VanDerWaalsContact O-N 3.12Å
354V66.1Low65.3Low94 Ų94123.8 Ų123.857%0.5756%0.56SS**Hα-helixtrans-67.4-38.2172.3172.30000111.8G350 K352 S358G350-V354 WeakPolarHBondContact O-CG2 3.38Å; G350-V354 PolarHBondContact O-N 2.98Å; K352-V354 VanDerWaalsContact C-N 3.26Å; K352-V354 PolarHBondContact O-N 2.91Å; V354-S358 WeakPolarHBondContact O-CB 3.36Å; V354-S358 PolarHBondContact O-N 2.87Å
355R69.7Low65Low197 Ų197121 Ų12174%0.74355%0.554SS**Hα-helixtrans-69.4-43.8178.8-161.5178.5-1581766.4112R351 K352 S358 Q359R351-R355 PolarHBondContact O-N 2.88Å; K352-R355 WeakPolarHBondContact O-CA 3.41Å; K352-R355 WeakPolarHBondContact O-CB 3.43Å; K352-R355 PolarHBondContact O-N 3.27Å; R355-S358 PolarHBondContact O-N 3.32Å; R355-Q359 PolarHBondContact O-N 2.95Å; R355-Q359 VanDerWaalsContact O-N 3.07Å
356D66Low64.6Low64 Ų64119.4 Ų119.434%0.34256%0.555SS.*Hα-helixtrans-64.5-42.2178.5-66-3000109.6K352 S358 Q359 D360K352-D356 VanDerWaalsContact CE-OD2 3.24Å; K352-D356 WeakPolarHBondContact CE-OD2 3.36Å; K352-D356 IonicContact NZ-OD2 2.67Å; K352-D356 PolarHBondContact NZ-OD2 3.09Å; K352-D356 PolarHBondContact O-N 2.92Å; D356-S358 PolarHBondContact O-N 2.93Å; D356-Q359 WeakPolarHBondContact O-CB 3.32Å; D356-Q359 PolarHBondContact O-N 3.44Å; D356-D360 PolarHBondContact O-N 3.44Å
357R68.9Low64.3Low168 Ų168118 Ų11863%0.63455%0.553SS**Hα-helixtrans-61.7-42.3172.3-73.8174.3-166.8165.96.9113.9D353 Q359 D360 E361D353-R357 WeakPolarHBondContact O-CB 3.43Å; D353-R357 VanDerWaalsContact O-CG 3.26Å; D353-R357 WeakPolarHBondContact O-CG 3.35Å; D353-R357 PolarHBondContact O-N 3.24Å; D353-R357 VanDerWaalsContact O-N 3.12Å; R357-Q359 PolarHBondContact O-N 3.41Å; R357-D360 PolarHBondContact O-N 3.5Å; R357-E361 VanDerWaalsContact O-CG 3.28Å; R357-E361 WeakPolarHBondContact O-CG 3.16Å; R357-E361 PolarHBondContact O-N 2.92Å
358S63.3Low63.9Low74 Ų74117.2 Ų117.252%0.51756%0.555SS.*Hα-helixtrans-62.9-31.9177.4176.60000111.9V354 R355 D356 R362V354-S358 WeakPolarHBondContact O-CB 3.36Å; V354-S358 PolarHBondContact O-N 2.87Å; R355-S358 PolarHBondContact O-N 3.32Å; D356-S358 PolarHBondContact O-N 2.93Å; S358-R362 PolarHBondContact O-N 3.48Å
359Q69.9Low63.6Low111 Ų111119.5 Ų119.552%0.51956%0.559SS.*Hα-helixtrans-70.6-47172.9-173.6174.2-25.600111.8R355 D356 R357 E361 R362 E363R355-Q359 PolarHBondContact O-N 2.95Å; R355-Q359 VanDerWaalsContact O-N 3.07Å; D356-Q359 WeakPolarHBondContact O-CB 3.32Å; D356-Q359 PolarHBondContact O-N 3.44Å; R357-Q359 PolarHBondContact O-N 3.41Å; Q359-E361 VanDerWaalsContact C-N 3.31Å; Q359-E361 PolarHBondContact O-N 2.85Å; Q359-R362 WeakPolarHBondContact O-CB 3.29Å; Q359-R362 PolarHBondContact O-N 2.94Å; Q359-E363 HydrophobicContact CG-CG 4.49Å; Q359-E363 WeakPolarHBondContact CG-OE1 3.38Å; Q359-E363 PolarHBondContact NE2-OE1 3.37Å; Q359-E363 PolarHBondContact O-N 2.84Å
360D64.8Low63.3Low90 Ų90117 Ų11748%0.48156%0.56SS.*Hα-helixtrans-57.1-41177.3-75.5-19.8000112.7D356 R357 R362 E363 R364D356-D360 PolarHBondContact O-N 3.44Å; R357-D360 PolarHBondContact O-N 3.5Å; D360-R362 VanDerWaalsContact C-N 3.33Å; D360-R362 PolarHBondContact O-N 2.88Å; D360-E363 PolarHBondContact O-N 3.39Å; D360-R364 VanDerWaalsContact O-CG 3.31Å; D360-R364 WeakPolarHBondContact O-CG 3.46Å; D360-R364 PolarHBondContact O-N 3.34Å
361E61.4Low62.8Low136 Ų136122.6 Ų122.664%0.63658%0.575SS**Hα-helixtrans-62.2-39.4174.8-69-94.6116.700111.8R357 Q359 S365R357-E361 VanDerWaalsContact O-CG 3.28Å; R357-E361 WeakPolarHBondContact O-CG 3.16Å; R357-E361 PolarHBondContact O-N 2.92Å; Q359-E361 VanDerWaalsContact C-N 3.31Å; Q359-E361 PolarHBondContact O-N 2.85Å; E361-S365 PolarHBondContact O-N 3.12Å; E361-S365 VanDerWaalsContact O-N 3.12Å; E361-S365 PolarHBondContact O-OG 3.35Å
362R67.6Low62.2Low196 Ų196118.1 Ų118.174%0.7457%0.566SS**Hα-helixtrans-73.1-34179.8-146.8176-163.6-154.73.8112.4S358 Q359 D360 S365 T366S358-R362 PolarHBondContact O-N 3.48Å; Q359-R362 WeakPolarHBondContact O-CB 3.29Å; Q359-R362 PolarHBondContact O-N 2.94Å; D360-R362 VanDerWaalsContact C-N 3.33Å; D360-R362 PolarHBondContact O-N 2.88Å; R362-S365 WeakPolarHBondContact CA-OG 3.47Å; R362-S365 PolarHBondContact O-OG 2.79Å; R362-S365 VanDerWaalsContact O-OG 3.07Å; R362-T366 WeakPolarHBondContact O-CG2 3.39Å; R362-T366 PolarHBondContact O-N 3.22Å; R362-T366 PolarHBondContact O-OG1 3.11Å
363E61.3Low61.7Low107 Ų107119.2 Ų119.250%0.557%0.57SS.*Hα-helixtrans-72.7-38.2174.9-69.8-178-161.400111.6Q359 D360 T366 S367Q359-E363 HydrophobicContact CG-CG 4.49Å; Q359-E363 WeakPolarHBondContact CG-OE1 3.38Å; Q359-E363 PolarHBondContact NE2-OE1 3.37Å; Q359-E363 PolarHBondContact O-N 2.84Å; D360-E363 PolarHBondContact O-N 3.39Å; E363-T366 PolarHBondContact O-OG1 3.11Å; E363-S367 PolarHBondContact O-N 3.25Å
364R63.6Low61.3Low167 Ų167120 Ų12063%0.6358%0.575SS**Hα-helixtrans-66.4-38.2175.3-73.4172.1178.4-1710.6113.4D360 S367 K368D360-R364 VanDerWaalsContact O-CG 3.31Å; D360-R364 WeakPolarHBondContact O-CG 3.46Å; D360-R364 PolarHBondContact O-N 3.34Å; R364-S367 PolarHBondContact O-N 3.04Å; R364-S367 PolarHBondContact O-OG 3.42Å; R364-K368 PolarHBondContact O-N 3.48Å
365S58Low60.8Low68 Ų68122 Ų12248%0.47658%0.576SS.*Hα-helixtrans-69.5-37.118042.80000112.7E361 R362E361-S365 PolarHBondContact O-N 3.12Å; E361-S365 VanDerWaalsContact O-N 3.12Å; E361-S365 PolarHBondContact O-OG 3.35Å; R362-S365 WeakPolarHBondContact CA-OG 3.47Å; R362-S365 PolarHBondContact O-OG 2.79Å; R362-S365 VanDerWaalsContact O-OG 3.07Å
366T58.2Low60Low94 Ų94118.8 Ų118.858%0.57757%0.573SS**Hα-helixtrans-68-39.1173.957.20000112.7R362 E363 K368 K369 S370R362-T366 WeakPolarHBondContact O-CG2 3.39Å; R362-T366 PolarHBondContact O-N 3.22Å; R362-T366 PolarHBondContact O-OG1 3.11Å; E363-T366 PolarHBondContact O-OG1 3.11Å; T366-K368 VanDerWaalsContact C-N 3.29Å; T366-K368 PolarHBondContact O-N 3.49Å; T366-K369 PolarHBondContact O-N 3.37Å; T366-S370 PolarHBondContact O-N 3.34Å
367S58.1Low59.5Low67 Ų67124.6 Ų124.647%0.46959%0.591SS.*Hα-helixtrans-66-24.3178.972.40000115.1E363 R364 S370E363-S367 PolarHBondContact O-N 3.25Å; R364-S367 PolarHBondContact O-N 3.04Å; R364-S367 PolarHBondContact O-OG 3.42Å; S367-S370 PolarHBondContact O-OG 3.14Å; S367-S370 VanDerWaalsContact O-OG 3.06Å
368K58.4Low58.7Low156 Ų156122.8 Ų122.868%0.67859%0.593SS**Hα-helixtrans-72.7-45172.6-74.8-178.7176.6-177.40110.5R364 T366 S370 K371R364-K368 PolarHBondContact O-N 3.48Å; T366-K368 VanDerWaalsContact C-N 3.29Å; T366-K368 PolarHBondContact O-N 3.49Å; K368-S370 VanDerWaalsContact C-N 3.28Å; K368-S370 PolarHBondContact O-N 3Å; K368-K371 PolarHBondContact O-N 3.41Å
369K53.8Low58.2Low161 Ų161128 Ų12870%0.761%0.609SS**Hα-helixtrans-65.9-23.9-177.7-168.8167.6-175.51700114.1T366T366-K369 PolarHBondContact O-N 3.37Å
370S57.8Low57.3Low66 Ų66132 Ų13246%0.46263%0.625SS.*Hα-helixtrans-76.1-30.7171.154.90000113T366 S367 K368 K373T366-S370 PolarHBondContact O-N 3.34Å; S367-S370 PolarHBondContact O-OG 3.14Å; S367-S370 VanDerWaalsContact O-OG 3.06Å; K368-S370 VanDerWaalsContact C-N 3.28Å; K368-S370 PolarHBondContact O-N 3Å; S370-K373 PolarHBondContact O-N 3.47Å
371K54.6Low56.5Low151 Ų151132.7 Ų132.766%0.65764%0.637SS**Hα-helixtrans-74.5-28-171.8-166.3175.6-178.9-177.40114K368K368-K371 PolarHBondContact O-N 3.41Å
372D53.7Low55.9Low107 Ų107133.8 Ų133.857%0.57265%0.647SS**Hα-helixtrans-74.3-38.5173.2-71.9-39.9000111.7D374 K375D372-D374 PolarHBondContact O-N 3.47Å; D372-K375 PolarHBondContact O-N 3.42Å
373K56Low55.1Low147 Ų147130.2 Ų130.264%0.63965%0.652SS**Hα-helixtrans-64.7-21.4-177.6-80.8-163.8169.7-164.80115.5S370S370-K373 PolarHBondContact O-N 3.47Å
374D55.3Low54.7Low98 Ų98134.5 Ų134.552%0.52467%0.672SS.*Hα-helixtrans-81.4-29.9174.8-70.7-33.7000111.7D372 R377D372-D374 PolarHBondContact O-N 3.47Å; D374-R377 PolarHBondContact O-N 3.16Å
375K55.8Low54.1Low138 Ų138136.8 Ų136.860%0.669%0.687SS**Hα-helixtrans-68.1-35.4178.9-77.3-176.1165.7-169.10113.8D372 R377 D378D372-K375 PolarHBondContact O-N 3.42Å; K375-R377 PolarHBondContact O-N 2.95Å; K375-D378 PolarHBondContact O-N 3.11Å
376D53.3Low53.3Low129 Ų129136.9 Ų136.969%0.6970%0.698SS**Hα-helixtrans-69.9-12.4-178.6-67-27.8000113.4
377R55.3Low52.5Low186 Ų186140 Ų14070%0.70271%0.711SS**Hα-helixtrans-85.6-34.7177.7-77.2-178.9172159.1-3.7113.4D374 K375 H379 K380D374-R377 PolarHBondContact O-N 3.16Å; K375-R377 PolarHBondContact O-N 2.95Å; R377-H379 VanDerWaalsContact C-N 3.26Å; R377-H379 PolarHBondContact O-N 3.08Å; R377-K380 PolarHBondContact O-N 3.35Å
378D53.3Low52Low130 Ų130143.9 Ų143.970%0.69573%0.732SS**Hα-helixtrans-72.2-20.4-174.7-66-23.4000112.7K375 K380K375-D378 PolarHBondContact O-N 3.11Å; D378-K380 PolarHBondContact O-N 3.17Å
379H52.7Low51.6Low182 Ų182145.3 Ų145.384%0.84374%0.738SS**THydrogen-bonded Turntrans-84.1-0.3179.9-96.3-52.8000115.6R377R377-H379 VanDerWaalsContact C-N 3.26Å; R377-H379 PolarHBondContact O-N 3.08Å
380K50Low51.1Low196 Ų196146 Ų14685%0.85275%0.749SS**THydrogen-bonded Turntrans-113.99.4-169.6-143.8172.2-174173.10115.8R377 D378R377-K380 PolarHBondContact O-N 3.35Å; D378-K380 PolarHBondContact O-N 3.17Å
381S48Very low50.5Low104 Ų104147.8 Ų147.873%0.72777%0.768SS**SBendtrans-117.110.2-172.755.90000115.9
382D49.3Very low49.9Very low159 Ų159148.4 Ų148.485%0.8578%0.778SS**SBendtrans-14046.7-169.9-155.512.5000114
383S51Low49.5Very low122 Ų122151 Ų15185%0.85379%0.791SS**  trans-140.413178.4-166.20000114.7K385S383-K385 PolarHBondContact O-N 3.15Å
384E53Low48.9Very low196 Ų196152.5 Ų152.592%0.91681%0.805SS**  trans-101.164.5-178.8-159.1177.7161.800111.9
385K50.7Low48.2Very low216 Ų216157 Ų15794%0.93982%0.82SS**  trans-167.397.2164.1-111.8172.2-175-179.90110.6S383S383-K385 PolarHBondContact O-N 3.15Å
386G41.2Very low47.2Very low69 Ų69157 Ų15771%0.71183%0.83SS**  trans168.1109.3175.200000114.5
387D41.1Very low46.4Very low159 Ų159156.7 Ų156.785%0.8583%0.834SS**  trans57.586.1150.2-58.7-57.3000121.2K389D387-K389 PolarHBondContact O-N 2.66Å; D387-K389 VanDerWaalsContact O-N 3.12Å
388V48.3Very low45.7Very low149 Ų149157.2 Ų157.290%0.90384%0.836SS**  trans-68.494.3156-178.60000109.9
389K49Very low44.9Very low187 Ų187156.7 Ų156.781%0.81383%0.833SS**  trans-155.8-9.6167.1-118.2164.7-169.7178.80120.1D387D387-K389 PolarHBondContact O-N 2.66Å; D387-K389 VanDerWaalsContact O-N 3.12Å
390N43.9Very low44.4Very low175 Ų175158.8 Ų158.894%0.93684%0.835SS**  trans-111.842-175.7-83.6-17.7000114.8
391A44Very low44.2Very low103 Ų103157 Ų15785%0.85184%0.835SS**  trans-108.720.7-17500000115.1
392L43.4Very low44.3Very low165 Ų165159.9 Ų159.986%0.86484%0.837SS**SBendtrans-138.735.2-169.2-141.1163000114.3
393L44.4Very low43.8Very low162 Ų162161.1 Ų161.185%0.84884%0.837SS**SBendtrans-149.140.1175.9-154.794.2000115.5
394L44.7Very low43.3Very low177 Ų177162.5 Ų162.593%0.92783%0.831SS**  trans-161.380.2168.1-107.3143.6000112.7
395K39.8Very low42.6Very low194 Ų194161.4 Ų161.484%0.84383%0.825SS**  trans-147.7143.8156.2-77.5-170177.4176.90107.6
396V35.2Very low41.9Very low136 Ų136154.4 Ų154.482%0.82481%0.814SS**  trans70123-174.2-165.80000109.8
397T36.9Very low41.5Very low124 Ų124161.8 Ų161.876%0.76182%0.822SS**  cis-158.217114.514.80000107.7
398R38.7Very low41.4Very low197 Ų197161.1 Ų161.174%0.74382%0.819SS**  cis174.4159.7-23.7164.1178.2143.9123.820.1107.8
399D37.3Very low41.1Very low119 Ų119159.2 Ų159.264%0.63681%0.812SS**  trans75155.5165.1-65.7-14.6000121.9
400Y42.8Very low40.4Very low225 Ų225153.4 Ų153.488%0.88281%0.805SS**  trans-80.1161.3178.1-88.9-127000112
401D44.5Very low40Very low160 Ų160153.2 Ų153.286%0.85680%0.796SS**  trans-153157135.8-142.6-14.3000112.6
402E50.7Low39.4Very low164 Ų164155.8 Ų155.877%0.76679%0.79SS**  trans-98.4-169.7171.7-69.2-175.5111.200110.6
403E38.1Very low39.2Very low184 Ų184154.6 Ų154.686%0.8679%0.79SS**  trans66.6161167.2-67.6-173.4-17100117.2
404E42.1Very low38.7Very low152 Ų152155 Ų15571%0.7179%0.787SS**  cis-161-178.6-39.9-159.9-162.6-153.400106.3
405Q37.4Very low38.4Very low173 Ų173154.6 Ų154.681%0.80879%0.786SS**  trans79.2134.5162-57.1178.732.300117.7
406G36.3Very low38.2Very low68 Ų68153.9 Ų153.970%0.70179%0.785SS**  trans-104.1-170.6-17800000112.7
407Y33.1Very low38.1Very low224 Ų224155.1 Ų155.188%0.87878%0.782SS**  trans-131.7116.5168.8-98.3-91.7000110.1
408D38.8Very low38Very low146 Ų146155.4 Ų155.478%0.78178%0.775SS**  trans-66.3144.2152.5178.621.7000108.9G410D408-G410 PolarHBondContact OD1-N 3.32Å
409S42.7Very low37.8Very low108 Ų108155.8 Ų155.876%0.75578%0.777SS**  trans-166.578.9172-78.10000108.3
410G33.1Very low37.8Very low65 Ų65159.3 Ų159.367%0.6779%0.786SS**  trans-64.4157.1177.100000113.8D408D408-G410 PolarHBondContact OD1-N 3.32Å
411K36Very low37.2Very low172 Ų172153.8 Ų153.875%0.74878%0.78SS**  trans-156.4120155.9-122.1-175.2176.4-170.50112.3
412E31.1Very low36.6Very low156 Ų156153.9 Ų153.973%0.72978%0.781SS**  trans36.7115.7137.8-62.6153.1-15700118.3
413V38.8Very low35.8Very low141 Ų141152 Ų15286%0.85579%0.786SS**  -171.814998152.70000109.5
414E34.3Very low35.4Very low170 Ų170150.3 Ų150.379%0.79478%0.783SS**  trans-72.6154.1-174.9-60149.2145.900113.4
415D38.3Very low35.2Very low168 Ų168148.5 Ų148.590%0.89879%0.787SS**  -168.8136.8128.4-98.5-27.7000109.9
416E35.1Very low35Very low179 Ų179144.3 Ų144.384%0.83678%0.782SS**  trans-91.1148.3-175-58.8-170.5137.600112.9
417E34.8Very low35Very low163 Ų163146.3 Ų146.376%0.76279%0.785SS**  167.3137.9105.1-91.1-158.2161.600113.2
418E33.6Very low35.9Very low129 Ų129141.2 Ų141.260%0.60378%0.78SS**  trans50.7119.8143.6-69.1-140.9143.600120
419R35.4Very low36.4Very low206 Ų206140.1 Ų140.178%0.77778%0.78SS**  cis-168.9141.346.9-67.1-167.6168.1-177.1-4.8113.4
420K36.6Very low36Very low192 Ų192144.4 Ų144.484%0.83579%0.785SS**  trans30.4137.6131.2-62.3175.5-178.2173.80119.2
421S31.3Very low36.5Very low109 Ų109146.6 Ų146.676%0.76279%0.788SS**  cis-167.3155.89.543.50000112.1
422D31Very low36.4Very low162 Ų162147 Ų14787%0.86679%0.793SS**  trans-62.5151178-47.9-100.8000115.4
423S33.3Very low36.3Very low125 Ų125147.8 Ų147.887%0.87480%0.796SS**  -162.8118.1127.9-164.50000110.3
424D31.2Very low36Very low148 Ų148146.1 Ų146.179%0.79179%0.791SS**  trans-125.8142.1171.2-167-7.2000108.5
425S36.6Very low35.9Very low115 Ų115145.8 Ų145.880%0.80480%0.795SS**  trans-16598.3172.6-82.10000112.7
426A33.3Very low35.6Very low84 Ų84144.7 Ų144.769%0.69478%0.784SS**  trans-51.9165.915800000114.5
427S37.3Very low35.6Very low111 Ų111143.4 Ų143.478%0.77678%0.776SS**  cis-159.2-126.8-17.9-85.20000110.9
428P51.7Low35.4Very low117 Ų117143.1 Ų143.176%0.7678%0.778SS**  trans-118.9-160-13340.5-18.2000113.2
429P48.5Very low35.3Very low123 Ų123141.7 Ų141.780%0.79979%0.789SS**  cis-140.2-167.27.742-18.9000118.4
430K34.2Very low35.1Very low197 Ų197135.9 Ų135.986%0.85779%0.793SS**  trans-83.2-166.1-177.7-43.4175.8177.2176.70112.9
431P44.3Very low34.8Very low111 Ų111135.8 Ų135.872%0.72180%0.795SS**  cis-137.9-177.7-10.539.7-20.1000116
432Q32.9Very low34.9Very low182 Ų182136.2 Ų136.285%0.8580%0.798SS**  170.7170.3126.2-92.1-170-62.600114.6
433E29.3Very low35Very low171 Ų171131.6 Ų131.680%0.79979%0.789SS**  trans-95.5161.8-161.5-58.1151.111400115.1
434S31.9Very low35.2Very low107 Ų107136.1 Ų136.175%0.74879%0.793SS**  159.6131.4114.449.80000116.5
435D33.6Very low35.4Very low163 Ų163139 Ų13987%0.87280%0.799SS**  trans70157.2139.5-71-58.9000126.9
436E32.7Very low35.7Very low144 Ų144139.3 Ų139.367%0.67380%0.801SS**  trans-104.1158.4-162.8-57.3-166.288.900116.2
437K34Very low36Very low153 Ų153144.8 Ų144.867%0.66581%0.809SS**  trans75132.7133.3-88.4169-170.8144.20123.9
438L31.1Very low36.4Very low156 Ų156148.4 Ų148.482%0.81781%0.814SS**  107112.8128.9-81.7164.4000121.9
439A31.2Very low35.5Very low100 Ų100150.2 Ų150.283%0.82682%0.817SS**  trans76.5127.5132.300000122.2
440G30.5Very low34.8Very low83 Ų83147.8 Ų147.886%0.85681%0.814SS**  trans-179.3130.5165.800000110.5
441E31.8Very low35Very low191 Ų191146 Ų14689%0.89381%0.814SS**  trans-111.6167.7-159.5-165.6-177.2113.100115
442S32.8Very low34.8Very low117 Ų117146.8 Ų146.882%0.81881%0.812SS**  trans98.4137.4162.979.80000116.7
443G32.7Very low35.3Very low66 Ų66145.4 Ų145.468%0.6881%0.805SS**  cis155.5138.2-10.100000112.3
444K38.5Very low35.9Very low220 Ų220143.6 Ų143.696%0.95780%0.797SS**  trans-176.8159.2158.1-103.9151.9-170.1177.10113.4
445K34.4Very low36.5Very low209 Ų209146.5 Ų146.591%0.90980%0.804SS**  trans-122.8146.6-172.1-67.1173.6175.4172.40113
446S42.3Very low36.9Very low121 Ų121146.1 Ų146.185%0.84680%0.797SS**  trans-174132.3150.440.90000106.5
447K40.5Very low37.7Very low198 Ų198147.7 Ų147.786%0.86180%0.804SS**  cis84.689.215.2-156.3-175.1-174.3-174.90116.8
448Q44.8Very low38.3Very low188 Ų188147.8 Ų147.888%0.87981%0.812SS**  trans-155.1156.1143.6-162.3155.2-7.300111.2
449N33.3Very low39.8Very low154 Ų154148.8 Ų148.882%0.82482%0.815SS**  trans-113.6171.5-175.2-62.5-7.8000111.8
450G34.4Very low40.7Very low72 Ų72152.4 Ų152.474%0.74281%0.814SS**  trans119.8116.2165.700000111.8
451D37.3Very low42Very low160 Ų160157.4 Ų157.486%0.85682%0.818SS**  cis100.9139.121.7-156.126.9000115
452D40.6Very low43.2Very low128 Ų128153.7 Ų153.768%0.68481%0.812SS**  trans60.7111.7169.9-106.53.7000124.6
453H43.7Very low43.8Very low153 Ų153159.2 Ų159.271%0.70883%0.833SS**  56.1143.2118.6-103.3-69.2000126.2
454H41.5Very low44.4Very low133 Ų133163.9 Ų163.962%0.61684%0.84SS**  trans73.1125.4157.5-82.8-82.2000119.8
455D45.8Very low44.7Very low168 Ų168160.9 Ų160.990%0.89883%0.834SS**  -152.7145.5125.4-97.7-37.3000110
456E41.8Very low45.3Very low154 Ų154158.2 Ų158.272%0.7283%0.83SS**  trans-109.1130.6-177.7-61177.6149.500108.9
457E49.4Very low45.4Very low178 Ų178160.4 Ų160.483%0.83283%0.829SS**  trans-115.589.5169.6-74.8-167.3177.700110.7M459E457-M459 PolarHBondContact O-N 3.22Å
458D47Very low45.7Very low155 Ų155158.1 Ų158.183%0.82983%0.827SS**  trans-67.8114.3163.1-85-37.2000109.8E460D458-E460 PolarHBondContact O-N 3.41Å
459M61.9Low45.8Very low177 Ų177156.1 Ų156.187%0.87282%0.824SS**  trans-92.184.3166.4-73.4-163.5178.700110.8E457E457-M459 PolarHBondContact O-N 3.22Å
460E50.4Low46.7Very low175 Ų175156.2 Ų156.282%0.81882%0.824SS**  trans-86.7122.5163.7-174.7175.1-132.700110.1D458D458-E460 PolarHBondContact O-N 3.41Å
461M56.2Low47.7Very low189 Ų189162.7 Ų162.793%0.93183%0.83SS**  trans-145.1128.5154.4-80.5-149.3179.800111
462S58.1Low48.5Very low112 Ų112162.9 Ų162.978%0.78383%0.828SS**  trans-60.9168.4171.3-42.60000112.1
463D45.8Very low49.2Very low233 Ų233166.1 Ų166.1100%1.24684%0.841SS**  cis-151.7031.9-169.94000110.1

Retrieved 463 of 463 residues in 222.6 ms (Link to these results)

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