G4VKH0_SCHMA Loading...

Small ribosomal subunit protein mS33

AlphaFold DB , UniProt , Accession G4VKH0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 102 aa.

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

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
1M57.8Low89Confident251 Ų251107.8 Ų107.8100%1.23655%0.551SS**  0129.80-73.3-172.7-140.700109
2T83.5Confident89.4Confident88 Ų88105.5 Ų105.554%0.5454%0.54SS..  trans-84.7138.6176.3-52.60000110.4A6 K7T2-A6 HydrophobicContact CG2-CB 3.5Å; T2-K7 HydrophobicContact CG2-CG 4.23Å
3S92.6Very high89.8Confident71 Ų71100.5 Ų100.550%0.49752%0.523SS..  trans-61.9150.9177.776.10000111.7Y5 A6 K7S3-Y5 PolarHBondContact O-N 3.19Å; S3-A6 PolarHBondContact O-N 3.2Å; S3-A6 VanDerWaalsContact O-N 3.16Å; S3-A6 WeakPolarHBondContact OG-CB 3.05Å; S3-A6 PolarHBondContact OG-N 2.61Å; S3-A6 VanDerWaalsContact OG-N 3.15Å; S3-K7 PolarHBondContact O-N 3.36Å; S3-K7 VanDerWaalsContact O-N 3.14Å
4L93.2Very high90Very high122 Ų12293.9 Ų93.964%0.63949%0.493SS*.Hα-helixtrans-58.5-36.9176.4-18063.5000111.7K7 K8L4-K7 PolarHBondContact O-N 3.19Å; L4-K8 WeakPolarHBondContact O-CG 3.28Å; L4-K8 PolarHBondContact O-N 3.16Å
5Y93.9Very high90.3Very high162 Ų162100.9 Ų100.964%0.63551%0.51SS*.Hα-helixtrans-58.9-49.6174.7176.5-97.6000111.5S3 K7 K8 M9S3-Y5 PolarHBondContact O-N 3.19Å; Y5-K7 VanDerWaalsContact C-N 3.33Å; Y5-K7 PolarHBondContact O-N 3.03Å; Y5-K8 WeakPolarHBondContact O-CB 3.43Å; Y5-K8 PolarHBondContact O-N 3.31Å; Y5-K8 VanDerWaalsContact O-N 3.09Å; Y5-M9 HydrophobicContact CD1-CG 3.95Å; Y5-M9 HydrophobicContact CD2-CG 4.4Å; Y5-M9 HydrophobicContact CE1-CG 3.51Å; Y5-M9 HydrophobicContact CE1-SD 4.34Å; Y5-M9 HydrophobicContact CE2-CE 4.05Å; Y5-M9 HydrophobicContact CE2-CG 4Å; Y5-M9 HydrophobicContact CE2-SD 4.1Å; Y5-M9 HydrophobicContact CG-CG 4.38Å; Y5-M9 WeakPolarHBondContact O-CG 3.46Å; Y5-M9 PolarHBondContact O-N 2.97Å
6A92.9Very high90.6Very high32 Ų32101.4 Ų101.426%0.26451%0.513SS..Hα-helixtrans-60.6-41.517900000111.9T2 S3 K8 M9 T10T2-A6 HydrophobicContact CG2-CB 3.5Å; S3-A6 PolarHBondContact O-N 3.2Å; S3-A6 VanDerWaalsContact O-N 3.16Å; S3-A6 WeakPolarHBondContact OG-CB 3.05Å; S3-A6 PolarHBondContact OG-N 2.61Å; S3-A6 VanDerWaalsContact OG-N 3.15Å; A6-K8 VanDerWaalsContact C-N 3.35Å; A6-K8 PolarHBondContact O-N 3.14Å; A6-M9 PolarHBondContact O-N 3.42Å; A6-T10 PolarHBondContact O-N 3.11Å; A6-T10 PolarHBondContact O-OG1 2.86Å; A6-T10 VanDerWaalsContact O-OG1 3.06Å
7K91.7Very high90.9Very high101 Ų101104.9 Ų104.944%0.43952%0.524SS..Hα-helixtrans-60.3-41.9173.7-66.9-176.8-178.9-177.40112.5T2 S3 L4 Y5 T10 M11T2-K7 HydrophobicContact CG2-CG 4.23Å; S3-K7 PolarHBondContact O-N 3.36Å; S3-K7 VanDerWaalsContact O-N 3.14Å; L4-K7 PolarHBondContact O-N 3.19Å; Y5-K7 VanDerWaalsContact C-N 3.33Å; Y5-K7 PolarHBondContact O-N 3.03Å; K7-T10 PolarHBondContact O-N 3.1Å; K7-M11 WeakPolarHBondContact O-CG 3.39Å; K7-M11 PolarHBondContact O-N 3.15Å; K7-M11 VanDerWaalsContact O-N 3.11Å
8K93Very high90.8Very high118 Ų118112.2 Ų112.251%0.51355%0.545SS..Hα-helixtrans-64.6-42.2175.9-72.5-179.3178.2-176.60111.8L4 Y5 A6 M11 L12L4-K8 WeakPolarHBondContact O-CG 3.28Å; L4-K8 PolarHBondContact O-N 3.16Å; Y5-K8 WeakPolarHBondContact O-CB 3.43Å; Y5-K8 PolarHBondContact O-N 3.31Å; Y5-K8 VanDerWaalsContact O-N 3.09Å; A6-K8 VanDerWaalsContact C-N 3.35Å; A6-K8 PolarHBondContact O-N 3.14Å; K8-M11 HydrophobicContact CG-CE 4.37Å; K8-M11 PolarHBondContact O-N 3.45Å; K8-L12 WeakPolarHBondContact O-CB 3.45Å; K8-L12 PolarHBondContact O-N 3.05Å
9M93.9Very high90.7Very high73 Ų73112.5 Ų112.536%0.3655%0.549SS..Hα-helixtrans-63.4-41.7176.5-69.3-6099.500111.9Y5 A6 L12 A13Y5-M9 HydrophobicContact CD1-CG 3.95Å; Y5-M9 HydrophobicContact CD2-CG 4.4Å; Y5-M9 HydrophobicContact CE1-CG 3.51Å; Y5-M9 HydrophobicContact CE1-SD 4.34Å; Y5-M9 HydrophobicContact CE2-CE 4.05Å; Y5-M9 HydrophobicContact CE2-CG 4Å; Y5-M9 HydrophobicContact CE2-SD 4.1Å; Y5-M9 HydrophobicContact CG-CG 4.38Å; Y5-M9 WeakPolarHBondContact O-CG 3.46Å; Y5-M9 PolarHBondContact O-N 2.97Å; A6-M9 PolarHBondContact O-N 3.42Å; M9-L12 HydrophobicContact CE-CD2 4.1Å; M9-L12 PolarHBondContact O-N 3.09Å; M9-A13 WeakPolarHBondContact O-CB 3.48Å; M9-A13 PolarHBondContact O-N 3.04Å
10T92.8Very high90.7Very high87 Ų87109.3 Ų109.353%0.53454%0.536SS..Hα-helixtrans-63-43.6175.4-56.10000112.4A6 K7 L12 A13 G14A6-T10 PolarHBondContact O-N 3.11Å; A6-T10 PolarHBondContact O-OG1 2.86Å; A6-T10 VanDerWaalsContact O-OG1 3.06Å; K7-T10 PolarHBondContact O-N 3.1Å; T10-L12 VanDerWaalsContact C-N 3.35Å; T10-L12 PolarHBondContact O-N 3.46Å; T10-A13 PolarHBondContact O-N 3.37Å; T10-G14 PolarHBondContact O-N 3.38Å; T10-G14 VanDerWaalsContact O-N 3.08Å
11M93.3Very high90.4Very high81 Ų81104.8 Ų104.840%0.39952%0.518SS..Hα-helixtrans-64-40.1176-72.6-174.2-71.100112.3K7 K8 R15 G21K7-M11 WeakPolarHBondContact O-CG 3.39Å; K7-M11 PolarHBondContact O-N 3.15Å; K7-M11 VanDerWaalsContact O-N 3.11Å; K8-M11 HydrophobicContact CG-CE 4.37Å; K8-M11 PolarHBondContact O-N 3.45Å; M11-R15 WeakPolarHBondContact O-CG 3.46Å; M11-R15 PolarHBondContact O-N 3.41Å; M11-G21 WeakPolarHBondContact CG-O 3.47Å
12L94.4Very high91.8Very high80 Ų80100.5 Ų100.542%0.41949%0.493SS..Hα-helixtrans-64.5-47.1176.4178.661000111.2K8 M9 T10 G14 R15 I16K8-L12 WeakPolarHBondContact O-CB 3.45Å; K8-L12 PolarHBondContact O-N 3.05Å; M9-L12 HydrophobicContact CE-CD2 4.1Å; M9-L12 PolarHBondContact O-N 3.09Å; T10-L12 VanDerWaalsContact C-N 3.35Å; T10-L12 PolarHBondContact O-N 3.46Å; L12-G14 VanDerWaalsContact C-N 3.35Å; L12-G14 PolarHBondContact O-N 3.41Å; L12-R15 WeakPolarHBondContact O-CB 3.28Å; L12-R15 PolarHBondContact O-N 3.34Å; L12-R15 VanDerWaalsContact O-N 3.11Å; L12-I16 HydrophobicContact CD1-CD1 3.99Å; L12-I16 HydrophobicContact CD1-CG1 4.25Å; L12-I16 HydrophobicContact CD2-CD1 4.5Å; L12-I16 HydrophobicContact CG-CD1 3.84Å; L12-I16 HydrophobicContact CG-CG1 4.48Å; L12-I16 WeakPolarHBondContact O-CG1 3.42Å; L12-I16 PolarHBondContact O-N 3.28Å
13A94.3Very high91.9Very high40 Ų40104.5 Ų104.533%0.33151%0.505SS..Hα-helixtrans-57-46.1178.100000111.9M9 T10 R15 I16 F17M9-A13 WeakPolarHBondContact O-CB 3.48Å; M9-A13 PolarHBondContact O-N 3.04Å; T10-A13 PolarHBondContact O-N 3.37Å; A13-R15 VanDerWaalsContact C-N 3.3Å; A13-R15 PolarHBondContact O-N 2.85Å; A13-I16 PolarHBondContact O-N 3.25Å; A13-F17 HydrophobicContact CB-CD2 4.44Å; A13-F17 VanDerWaalsContact O-CD2 3.27Å; A13-F17 WeakPolarHBondContact O-CD2 3.37Å; A13-F17 PolarHBondContact O-N 3.08Å
14G93.3Very high91.7Very high9 Ų9103.9 Ų103.99%0.09350%0.498CS..Hα-helixtrans-61.3-35176.500000113.5T10 L12 R18 D19T10-G14 PolarHBondContact O-N 3.38Å; T10-G14 VanDerWaalsContact O-N 3.08Å; L12-G14 VanDerWaalsContact C-N 3.35Å; L12-G14 PolarHBondContact O-N 3.41Å; G14-R18 CarbonylContact O-C 3.5Å; G14-R18 VanDerWaalsContact O-CA 3.29Å; G14-R18 WeakPolarHBondContact O-CA 3.42Å; G14-R18 PolarHBondContact O-N 3.41Å; G14-D19 CarbonylContact C-O 3.43Å; G14-D19 WeakPolarHBondContact CA-O 3.42Å; G14-D19 PolarHBondContact O-N 3.49Å; G14-D19 VanDerWaalsContact O-O 3.05Å
15R93.5Very high91.7Very high198 Ų198102 Ų10275%0.74749%0.488SS*.Hα-helixtrans-69-40.9174.7-70.2173.3-178.8172.1-0.4112.6M11 L12 A13M11-R15 WeakPolarHBondContact O-CG 3.46Å; M11-R15 PolarHBondContact O-N 3.41Å; L12-R15 WeakPolarHBondContact O-CB 3.28Å; L12-R15 PolarHBondContact O-N 3.34Å; L12-R15 VanDerWaalsContact O-N 3.11Å; A13-R15 VanDerWaalsContact C-N 3.3Å; A13-R15 PolarHBondContact O-N 2.85Å
16I96.4Very high91.6Very high109 Ų10999.2 Ų99.256%0.55949%0.493SS*.Hα-helixtrans-66.8-49.1179.9-67.7170.8000110.2L12 A13L12-I16 HydrophobicContact CD1-CD1 3.99Å; L12-I16 HydrophobicContact CD1-CG1 4.25Å; L12-I16 HydrophobicContact CD2-CD1 4.5Å; L12-I16 HydrophobicContact CG-CD1 3.84Å; L12-I16 HydrophobicContact CG-CG1 4.48Å; L12-I16 WeakPolarHBondContact O-CG1 3.42Å; L12-I16 PolarHBondContact O-N 3.28Å; A13-I16 PolarHBondContact O-N 3.25Å
17F95.4Very high91.7Very high162 Ų162106 Ų10671%0.71152%0.516SS*.Hα-helixtrans-91.95-174-61.6-64.6000114.3A13 D19A13-F17 HydrophobicContact CB-CD2 4.44Å; A13-F17 VanDerWaalsContact O-CD2 3.27Å; A13-F17 WeakPolarHBondContact O-CD2 3.37Å; A13-F17 PolarHBondContact O-N 3.08Å; F17-D19 PolarHBondContact O-N 3.39Å
18R89.6Confident91.7Very high236 Ų236103.6 Ų103.689%0.89151%0.512SS*.THydrogen-bonded Turntrans55.636.1-175.8-58.2179.5175.6178.8-1.4113.5G14G14-R18 CarbonylContact O-C 3.5Å; G14-R18 VanDerWaalsContact O-CA 3.29Å; G14-R18 WeakPolarHBondContact O-CA 3.42Å; G14-R18 PolarHBondContact O-N 3.41Å
19D88.8Confident91.8Very high117 Ų117101.7 Ų101.763%0.62651%0.507SS*.SBendtrans-102.3171.1172.9-163.58.2000110.7G14 F17 G21G14-D19 CarbonylContact C-O 3.43Å; G14-D19 WeakPolarHBondContact CA-O 3.42Å; G14-D19 PolarHBondContact O-N 3.49Å; G14-D19 VanDerWaalsContact O-O 3.05Å; F17-D19 PolarHBondContact O-N 3.39Å; D19-G21 VanDerWaalsContact C-N 3.3Å; D19-G21 PolarHBondContact O-N 3.06Å
20V89.1Confident91.8Very high48 Ų48104 Ų10429%0.29151%0.514SS..  trans-73.381.9179.9-168.40000110K22 V24 M29 V32V20-K22 VanDerWaalsContact C-N 3.27Å; V20-K22 PolarHBondContact O-N 2.92Å; V20-V24 HydrophobicContact CG1-CB 4.1Å; V20-V24 HydrophobicContact CG1-CG2 3.52Å; V20-M29 HydrophobicContact CB-SD 4.28Å; V20-M29 HydrophobicContact CG1-SD 4.01Å; V20-M29 HydrophobicContact CG2-CE 4.44Å; V20-M29 HydrophobicContact CG2-SD 4.23Å; V20-V32 HydrophobicContact CG2-CB 4.41Å; V20-V32 HydrophobicContact CG2-CG1 3.83Å; V20-V32 HydrophobicContact CG2-CG2 3.88Å
21G84.6Confident91.9Very high15 Ų15103.9 Ų103.916%0.15551%0.513CS..  trans-71.1-17-178.900000115.1M11 D19M11-G21 WeakPolarHBondContact CG-O 3.47Å; D19-G21 VanDerWaalsContact C-N 3.3Å; D19-G21 PolarHBondContact O-N 3.06Å
22K87.5Confident91.9Very high162 Ų162102.9 Ų102.970%0.70451%0.512SS*.SBendtrans-89.5144176.7-175.2179.2175.7-1770109.3V20 V24V20-K22 VanDerWaalsContact C-N 3.27Å; V20-K22 PolarHBondContact O-N 2.92Å; K22-V24 HydrophobicContact CB-CG2 4.43Å; K22-V24 WeakPolarHBondContact O-CG2 3.48Å; K22-V24 PolarHBondContact O-N 2.88Å; K22-V24 VanDerWaalsContact O-N 3.1Å
23Q86.1Confident91.8Very high172 Ų172105.8 Ų105.880%0.80452%0.517SS*.  trans-65.3113.4167.3-66.4-176-36.600109.1
24V89Confident91.8Very high57 Ų57108.2 Ų108.235%0.34552%0.524SS..  trans-113.8147.7-177.2171.70000108.5V20 K22 M29V20-V24 HydrophobicContact CG1-CB 4.1Å; V20-V24 HydrophobicContact CG1-CG2 3.52Å; K22-V24 HydrophobicContact CB-CG2 4.43Å; K22-V24 WeakPolarHBondContact O-CG2 3.48Å; K22-V24 PolarHBondContact O-N 2.88Å; K22-V24 VanDerWaalsContact O-N 3.1Å; V24-M29 HydrophobicContact CB-CG 4.34Å; V24-M29 HydrophobicContact CB-SD 4.09Å; V24-M29 HydrophobicContact CG1-CG 4.21Å; V24-M29 HydrophobicContact CG1-SD 4.25Å
25D93.3Very high91.8Very high82 Ų82115.1 Ų115.144%0.43956%0.555SS.*  trans-65.4156.4177.866.4-70.1000111.7K27 S28 M29D25-K27 PolarHBondContact O-N 3.26Å; D25-K27 VanDerWaalsContact OD2-CB 3.28Å; D25-K27 WeakPolarHBondContact OD2-CB 3.4Å; D25-K27 PolarHBondContact OD2-N 3.33Å; D25-S28 PolarHBondContact O-N 3.11Å; D25-S28 WeakPolarHBondContact OD1-CB 3.3Å; D25-S28 PolarHBondContact OD1-OG 2.95Å; D25-S28 PolarHBondContact OD2-N 3.4Å; D25-S28 PolarHBondContact OD2-OG 2.97Å; D25-M29 PolarHBondContact O-N 3.33Å
26S91.7Very high91.8Very high105 Ų105110 Ų11073%0.73455%0.55SS**Hα-helixtrans-61.4-28.5-177.458.50000113.4K30S26-K30 PolarHBondContact O-N 3.25Å
27K93.6Very high91.6Very high173 Ų173110.1 Ų110.175%0.75255%0.549SS*.Hα-helixtrans-72.1-43.2177.1-59.8178.2177.6176.50110.9D25 K30D25-K27 PolarHBondContact O-N 3.26Å; D25-K27 VanDerWaalsContact OD2-CB 3.28Å; D25-K27 WeakPolarHBondContact OD2-CB 3.4Å; D25-K27 PolarHBondContact OD2-N 3.33Å; K27-K30 VanDerWaalsContact O-CB 3.28Å; K27-K30 WeakPolarHBondContact O-CB 3.34Å; K27-K30 PolarHBondContact O-N 3.09Å
28S92.9Very high91.6Very high51 Ų51108.4 Ų108.436%0.35755%0.546SS..Hα-helixtrans-68.2-33.3176.2-64.30000112.9D25 K30 V31 V32D25-S28 PolarHBondContact O-N 3.11Å; D25-S28 WeakPolarHBondContact OD1-CB 3.3Å; D25-S28 PolarHBondContact OD1-OG 2.95Å; D25-S28 PolarHBondContact OD2-N 3.4Å; D25-S28 PolarHBondContact OD2-OG 2.97Å; S28-K30 PolarHBondContact O-N 3.36Å; S28-V31 WeakPolarHBondContact O-CB 3.35Å; S28-V31 PolarHBondContact O-N 2.98Å; S28-V32 PolarHBondContact O-N 3.01Å
29M94.2Very high91.8Very high79 Ų79101.1 Ų101.139%0.38953%0.529SS..Hα-helixtrans-61.6-29172.9-73.4-58.1-64.100113.2V20 V24 D25 V31 V32 R33V20-M29 HydrophobicContact CB-SD 4.28Å; V20-M29 HydrophobicContact CG1-SD 4.01Å; V20-M29 HydrophobicContact CG2-CE 4.44Å; V20-M29 HydrophobicContact CG2-SD 4.23Å; V24-M29 HydrophobicContact CB-CG 4.34Å; V24-M29 HydrophobicContact CB-SD 4.09Å; V24-M29 HydrophobicContact CG1-CG 4.21Å; V24-M29 HydrophobicContact CG1-SD 4.25Å; D25-M29 PolarHBondContact O-N 3.33Å; M29-V31 VanDerWaalsContact C-N 3.28Å; M29-V31 PolarHBondContact O-N 3.32Å; M29-V32 PolarHBondContact O-N 3.28Å; M29-R33 PolarHBondContact O-N 3.39Å; M29-R33 VanDerWaalsContact O-N 3.09Å
30K94.4Very high91.9Very high120 Ų120105.3 Ų105.352%0.52254%0.536SS..Hα-helixtrans-61.5-37173.2-177.1-177.6173.9-178.30111.8S26 K27 S28 R33 I34S26-K30 PolarHBondContact O-N 3.25Å; K27-K30 VanDerWaalsContact O-CB 3.28Å; K27-K30 WeakPolarHBondContact O-CB 3.34Å; K27-K30 PolarHBondContact O-N 3.09Å; S28-K30 PolarHBondContact O-N 3.36Å; K30-R33 PolarHBondContact O-N 3.3Å; K30-I34 HydrophobicContact CD-CD1 4.45Å; K30-I34 HydrophobicContact CG-CD1 3.9Å; K30-I34 HydrophobicContact CG-CG1 4.47Å; K30-I34 VanDerWaalsContact O-CG1 3.3Å; K30-I34 WeakPolarHBondContact O-CG1 3.44Å; K30-I34 PolarHBondContact O-N 2.9Å
31V94.1Very high92Very high85 Ų85107.5 Ų107.552%0.51555%0.551SS.*Hα-helixtrans-67-44.1179.4-179.10000110.3S28 M29 R33 I34 M35S28-V31 WeakPolarHBondContact O-CB 3.35Å; S28-V31 PolarHBondContact O-N 2.98Å; M29-V31 VanDerWaalsContact C-N 3.28Å; M29-V31 PolarHBondContact O-N 3.32Å; V31-R33 VanDerWaalsContact C-N 3.3Å; V31-R33 PolarHBondContact O-N 3.21Å; V31-I34 PolarHBondContact O-N 2.99Å; V31-M35 HydrophobicContact CG1-CG 4.38Å; V31-M35 WeakPolarHBondContact O-CB 3.29Å; V31-M35 WeakPolarHBondContact O-CG 3.27Å; V31-M35 PolarHBondContact O-N 2.93Å
32V93.3Very high92.3Very high61 Ų61112 Ų11237%0.3757%0.57SS.*Hα-helixtrans-56.1-47.8174.9178.50000110.2V20 S28 M29 M35 S36V20-V32 HydrophobicContact CG2-CB 4.41Å; V20-V32 HydrophobicContact CG2-CG1 3.83Å; V20-V32 HydrophobicContact CG2-CG2 3.88Å; S28-V32 PolarHBondContact O-N 3.01Å; M29-V32 PolarHBondContact O-N 3.28Å; V32-M35 PolarHBondContact O-N 3.2Å; V32-S36 WeakPolarHBondContact O-CB 3.49Å; V32-S36 PolarHBondContact O-N 3.4Å; V32-S36 PolarHBondContact O-OG 2.89Å
33R93.2Very high92.4Very high140 Ų140109.7 Ų109.753%0.52856%0.564SS.*Hα-helixtrans-59.8-49.2177.6-174.1177.767.1-158.32112.7M29 K30 V31 M35 S36 E37M29-R33 PolarHBondContact O-N 3.39Å; M29-R33 VanDerWaalsContact O-N 3.09Å; K30-R33 PolarHBondContact O-N 3.3Å; V31-R33 VanDerWaalsContact C-N 3.3Å; V31-R33 PolarHBondContact O-N 3.21Å; R33-M35 VanDerWaalsContact C-N 3.25Å; R33-M35 PolarHBondContact O-N 3.08Å; R33-S36 WeakPolarHBondContact CA-OG 3.41Å; R33-S36 PolarHBondContact O-N 3.2Å; R33-S36 PolarHBondContact O-OG 3.33Å; R33-E37 HydrophobicContact CG-CG 4.49Å; R33-E37 WeakPolarHBondContact CG-OE1 3.4Å; R33-E37 WeakPolarHBondContact O-CG 3.19Å; R33-E37 PolarHBondContact O-N 2.76Å; R33-E37 VanDerWaalsContact O-N 3.08Å
34I94.5Very high92.7Very high92 Ų92106.6 Ų106.647%0.47255%0.553SS.*Hα-helixtrans-59.4-39179.9-71.7168.1000111.3K30 V31K30-I34 HydrophobicContact CD-CD1 4.45Å; K30-I34 HydrophobicContact CG-CD1 3.9Å; K30-I34 HydrophobicContact CG-CG1 4.47Å; K30-I34 VanDerWaalsContact O-CG1 3.3Å; K30-I34 WeakPolarHBondContact O-CG1 3.44Å; K30-I34 PolarHBondContact O-N 2.9Å; V31-I34 PolarHBondContact O-N 2.99Å
35M92.8Very high92.8Very high153 Ų153110.1 Ų110.175%0.75456%0.563SS**Hα-helixtrans-79.6-24.5-179.6-66.9-64.5179.100113.3V31 V32 R33V31-M35 HydrophobicContact CG1-CG 4.38Å; V31-M35 WeakPolarHBondContact O-CB 3.29Å; V31-M35 WeakPolarHBondContact O-CG 3.27Å; V31-M35 PolarHBondContact O-N 2.93Å; V32-M35 PolarHBondContact O-N 3.2Å; R33-M35 VanDerWaalsContact C-N 3.25Å; R33-M35 PolarHBondContact O-N 3.08Å
36S92.5Very high92.6Very high92 Ų92112.1 Ų112.164%0.64357%0.574SS**Hα-helixtrans-78.1-23.8173.9630000113.4V32 R33V32-S36 WeakPolarHBondContact O-CB 3.49Å; V32-S36 PolarHBondContact O-N 3.4Å; V32-S36 PolarHBondContact O-OG 2.89Å; R33-S36 WeakPolarHBondContact CA-OG 3.41Å; R33-S36 PolarHBondContact O-N 3.2Å; R33-S36 PolarHBondContact O-OG 3.33Å
37E94.1Very high92.7Very high111 Ų111114.9 Ų114.952%0.51957%0.569SS.*SBendtrans-88151.3179.6-72173.6-167.700111.2R33R33-E37 HydrophobicContact CG-CG 4.49Å; R33-E37 WeakPolarHBondContact CG-OE1 3.4Å; R33-E37 WeakPolarHBondContact O-CG 3.19Å; R33-E37 PolarHBondContact O-N 2.76Å; R33-E37 VanDerWaalsContact O-N 3.08Å
38L93.8Very high92.7Very high125 Ų125115.1 Ų115.165%0.65457%0.567SS**PPolyproline II helixtrans-66.5132.2169.4-79164.9000109.6R40 I43L38-R40 PolarHBondContact O-N 3.27Å; L38-I43 HydrophobicContact CB-CD1 4.42Å
39P93.9Very high92.8Very high84 Ų84116 Ų11655%0.54557%0.571SS.*PPolyproline II helixtrans-63.9131.9178.927.2-34.4000109.6P41 M42P39-P41 VanDerWaalsContact C-N 3.28Å; P39-P41 VanDerWaalsContact O-N 3.08Å; P39-M42 HydrophobicContact CG-CB 4.27Å; P39-M42 WeakPolarHBondContact O-CB 3.45Å; P39-M42 PolarHBondContact O-N 3.08Å
40R91Very high92.8Very high204 Ų204115.2 Ų115.277%0.7757%0.572SS**Hα-helixtrans-47-39.4-176.7-64.6-176.1174.8-147.9-2.5115L38 M42 I43 L44L38-R40 PolarHBondContact O-N 3.27Å; R40-M42 PolarHBondContact O-N 3.33Å; R40-I43 WeakPolarHBondContact O-CB 3.38Å; R40-I43 PolarHBondContact O-N 2.91Å; R40-I43 VanDerWaalsContact O-N 3.08Å; R40-L44 PolarHBondContact O-N 3.07Å
41P91.1Very high92.9Very high94 Ų94114.6 Ų114.661%0.6157%0.574SS**Hα-helixtrans-59.5-31.8177.5-2636000114.1P39 I43 L44 K45P39-P41 VanDerWaalsContact C-N 3.28Å; P39-P41 VanDerWaalsContact O-N 3.08Å; P41-I43 PolarHBondContact O-N 2.87Å; P41-L44 PolarHBondContact O-N 3.4Å; P41-K45 WeakPolarHBondContact O-CB 3.42Å; P41-K45 PolarHBondContact O-N 2.93Å
42M90.9Very high93Very high109 Ų109118 Ų11854%0.53758%0.584SS.*Hα-helixtrans-69.4-27.3178.3-172.862.5118.700112.1P39 R40 K45P39-M42 HydrophobicContact CG-CB 4.27Å; P39-M42 WeakPolarHBondContact O-CB 3.45Å; P39-M42 PolarHBondContact O-N 3.08Å; R40-M42 PolarHBondContact O-N 3.33Å; M42-K45 WeakPolarHBondContact O-CG 3.44Å; M42-K45 HydrophobicContact SD-CD 3.85Å
43I90.4Very high93.2Very high114 Ų114121 Ų12159%0.58559%0.594SS**Hα-helixtrans-79.8-37.1176-54.9172.7000110.1L38 R40 P41L38-I43 HydrophobicContact CB-CD1 4.42Å; R40-I43 WeakPolarHBondContact O-CB 3.38Å; R40-I43 PolarHBondContact O-N 2.91Å; R40-I43 VanDerWaalsContact O-N 3.08Å; P41-I43 PolarHBondContact O-N 2.87Å
44L91.7Very high93.3Very high108 Ų108120.7 Ų120.757%0.56559%0.594SS**Hα-helixtrans-92.4-5.8-173.7-67173.4000114.6R40 P41 D46 Y47R40-L44 PolarHBondContact O-N 3.07Å; P41-L44 PolarHBondContact O-N 3.4Å; L44-D46 PolarHBondContact O-N 2.84Å; L44-D46 VanDerWaalsContact O-N 3.15Å; L44-Y47 WeakPolarHBondContact O-CB 3.32Å; L44-Y47 PolarHBondContact O-N 2.92Å; L44-Y47 VanDerWaalsContact O-N 3.13Å
45K90.6Very high93.4Very high130 Ų130120.6 Ų120.657%0.56559%0.594SS**THydrogen-bonded Turntrans-55.6-34.3-175.466.2179.6-172.9178.20113.2P41 M42P41-K45 WeakPolarHBondContact O-CB 3.42Å; P41-K45 PolarHBondContact O-N 2.93Å; M42-K45 WeakPolarHBondContact O-CG 3.44Å; M42-K45 HydrophobicContact SD-CD 3.85Å
46D90Very high93.6Very high124 Ų124117.4 Ų117.466%0.66358%0.581SS**THydrogen-bonded Turntrans-98.919.9-174.4-56.7-41.2000112.2L44 Y48L44-D46 PolarHBondContact O-N 2.84Å; L44-D46 VanDerWaalsContact O-N 3.15Å; D46-Y48 VanDerWaalsContact C-N 3.31Å; D46-Y48 PolarHBondContact O-N 3.13Å
47Y93.5Very high93.8Very high163 Ų163117.5 Ų117.564%0.63957%0.573SS**SBendtrans-60.7-39.9-178.7-178.9-93.9000112.5L44L44-Y47 WeakPolarHBondContact O-CB 3.32Å; L44-Y47 PolarHBondContact O-N 2.92Å; L44-Y47 VanDerWaalsContact O-N 3.13Å
48Y94.6Very high94Very high179 Ų179115.3 Ų115.370%0.70256%0.564SS**SBendtrans-102.6136.5173.8-65.9-67.2000110.2D46D46-Y48 VanDerWaalsContact C-N 3.31Å; D46-Y48 PolarHBondContact O-N 3.13Å
49P94.4Very high94.1Very high69 Ų69113.8 Ų113.845%0.44855%0.554SS.*  trans-65.4155.5173.328.4-34.1000110.7L51 Y54P49-L51 VanDerWaalsContact C-N 3.27Å; P49-L51 HydrophobicContact CG-CD2 3.94Å; P49-L51 HydrophobicContact CG-CG 4.5Å; P49-L51 PolarHBondContact O-N 3.31Å; P49-Y54 HydrophobicContact CB-CD2 4.45Å; P49-Y54 HydrophobicContact CB-CE2 3.91Å
50P95.1Very high94.3Very high62 Ų62116.6 Ų116.640%0.40356%0.557SS.*  trans-70.578.3176.429.2-36.8000111.7E52 E53 Y54P50-E52 PolarHBondContact O-N 3.39Å; P50-E52 VanDerWaalsContact O-N 3.16Å; P50-E53 HydrophobicContact CB-CB 4.28Å; P50-E53 HydrophobicContact CB-CG 4.08Å; P50-E53 WeakPolarHBondContact CB-OE1 3.4Å; P50-E53 WeakPolarHBondContact O-CB 3.3Å; P50-E53 PolarHBondContact O-N 3.05Å; P50-E53 VanDerWaalsContact O-N 3.08Å; P50-Y54 HydrophobicContact CG-CD2 4.38Å; P50-Y54 HydrophobicContact CG-CE2 3.99Å; P50-Y54 VanDerWaalsContact O-CD2 3.27Å; P50-Y54 WeakPolarHBondContact O-CD2 3.23Å; P50-Y54 PolarHBondContact O-N 3.15Å
51L96.1Very high94.6Very high108 Ų108109.7 Ų109.757%0.56554%0.535SS*.Hα-helixtrans-57.2-33.5-171.8-67176.9000113.8P49 N55P49-L51 VanDerWaalsContact C-N 3.27Å; P49-L51 HydrophobicContact CG-CD2 3.94Å; P49-L51 HydrophobicContact CG-CG 4.5Å; P49-L51 PolarHBondContact O-N 3.31Å; L51-N55 WeakPolarHBondContact O-CB 3.42Å; L51-N55 PolarHBondContact O-N 3.4Å; L51-N55 PolarHBondContact O-ND2 3.41Å
52E96.2Very high94.9Very high155 Ų155107.4 Ų107.472%0.72451%0.514SS*.Hα-helixtrans-65-41.4178.2-64.8-173173.600111.9P50 N55 N56P50-E52 PolarHBondContact O-N 3.39Å; P50-E52 VanDerWaalsContact O-N 3.16Å; E52-N55 PolarHBondContact O-N 3.1Å; E52-N56 VanDerWaalsContact O-CB 3.3Å; E52-N56 WeakPolarHBondContact O-CB 3.33Å; E52-N56 PolarHBondContact O-N 3.1Å; E52-N56 PolarHBondContact O-ND2 3.29Å; E52-N56 VanDerWaalsContact O-ND2 3.07Å
53E96.4Very high95.2Very high124 Ų124110.5 Ų110.558%0.57952%0.521SS*.Hα-helixtrans-63.4-49.5177.9-64.6179-142.600110.7P50 N55 N56 I57P50-E53 HydrophobicContact CB-CB 4.28Å; P50-E53 HydrophobicContact CB-CG 4.08Å; P50-E53 WeakPolarHBondContact CB-OE1 3.4Å; P50-E53 WeakPolarHBondContact O-CB 3.3Å; P50-E53 PolarHBondContact O-N 3.05Å; P50-E53 VanDerWaalsContact O-N 3.08Å; E53-N55 VanDerWaalsContact C-N 3.35Å; E53-N55 PolarHBondContact O-N 2.79Å; E53-N56 PolarHBondContact O-N 3.07Å; E53-I57 WeakPolarHBondContact O-CB 3.29Å; E53-I57 WeakPolarHBondContact O-CD1 3.48Å; E53-I57 VanDerWaalsContact O-CG1 3.22Å; E53-I57 WeakPolarHBondContact O-CG1 3.45Å; E53-I57 PolarHBondContact O-N 3.24Å
54Y96.3Very high95.5Very high134 Ų134111 Ų11153%0.52553%0.525SS..Hα-helixtrans-57.6-47.4176.3-74.7-74000111.9P49 P50 N56 I57 L58P49-Y54 HydrophobicContact CB-CD2 4.45Å; P49-Y54 HydrophobicContact CB-CE2 3.91Å; P50-Y54 HydrophobicContact CG-CD2 4.38Å; P50-Y54 HydrophobicContact CG-CE2 3.99Å; P50-Y54 VanDerWaalsContact O-CD2 3.27Å; P50-Y54 WeakPolarHBondContact O-CD2 3.23Å; P50-Y54 PolarHBondContact O-N 3.15Å; Y54-N56 PolarHBondContact O-N 3.16Å; Y54-I57 PolarHBondContact O-N 2.87Å; Y54-L58 WeakPolarHBondContact O-CB 3.44Å; Y54-L58 VanDerWaalsContact O-CG 3.29Å; Y54-L58 WeakPolarHBondContact O-CG 3.27Å; Y54-L58 PolarHBondContact O-N 2.96Å
55N96.1Very high95.7Very high91 Ų91109 Ų10949%0.48753%0.531SS..Hα-helixtrans-60.8-44.8178.8-77.2-34.9000111.7L51 E52 E53 L58 Q59L51-N55 WeakPolarHBondContact O-CB 3.42Å; L51-N55 PolarHBondContact O-N 3.4Å; L51-N55 PolarHBondContact O-ND2 3.41Å; E52-N55 PolarHBondContact O-N 3.1Å; E53-N55 VanDerWaalsContact C-N 3.35Å; E53-N55 PolarHBondContact O-N 2.79Å; N55-L58 PolarHBondContact O-N 3.08Å; N55-Q59 WeakPolarHBondContact O-CB 3.34Å; N55-Q59 VanDerWaalsContact O-CG 3.23Å; N55-Q59 WeakPolarHBondContact O-CG 3.37Å; N55-Q59 PolarHBondContact O-N 2.91Å
56N97.1Very high96.1Very high86 Ų86109.1 Ų109.146%0.4654%0.536SS..Hα-helixtrans-65.5-42.8-179.8-72.1-26.8000111.9E52 E53 Y54 K60E52-N56 VanDerWaalsContact O-CB 3.3Å; E52-N56 WeakPolarHBondContact O-CB 3.33Å; E52-N56 PolarHBondContact O-N 3.1Å; E52-N56 PolarHBondContact O-ND2 3.29Å; E52-N56 VanDerWaalsContact O-ND2 3.07Å; E53-N56 PolarHBondContact O-N 3.07Å; Y54-N56 PolarHBondContact O-N 3.16Å; N56-K60 WeakPolarHBondContact O-CG 3.47Å; N56-K60 PolarHBondContact O-N 3.32Å
57I97.5Very high96.4Very high94 Ų94106.8 Ų106.848%0.48252%0.521SS..Hα-helixtrans-62.2-51.1177.3-68.3163.7000109.9E53 Y54 Q59 K60 L61E53-I57 WeakPolarHBondContact O-CB 3.29Å; E53-I57 WeakPolarHBondContact O-CD1 3.48Å; E53-I57 VanDerWaalsContact O-CG1 3.22Å; E53-I57 WeakPolarHBondContact O-CG1 3.45Å; E53-I57 PolarHBondContact O-N 3.24Å; Y54-I57 PolarHBondContact O-N 2.87Å; I57-Q59 VanDerWaalsContact C-N 3.33Å; I57-Q59 PolarHBondContact O-N 3.19Å; I57-K60 PolarHBondContact O-N 3.39Å; I57-K60 VanDerWaalsContact O-N 3.17Å; I57-L61 HydrophobicContact CG2-CD1 3.95Å; I57-L61 HydrophobicContact CG2-CG 4.36Å; I57-L61 WeakPolarHBondContact O-CG 3.42Å; I57-L61 PolarHBondContact O-N 3.35Å
58L97Very high96.6Very high64 Ų64107.8 Ų107.834%0.33552%0.523SS..Hα-helixtrans-65.3-35.4-178.2-68.2173.7000112.6Y54 N55 L61 R62 F67Y54-L58 WeakPolarHBondContact O-CB 3.44Å; Y54-L58 VanDerWaalsContact O-CG 3.29Å; Y54-L58 WeakPolarHBondContact O-CG 3.27Å; Y54-L58 PolarHBondContact O-N 2.96Å; N55-L58 PolarHBondContact O-N 3.08Å; L58-L61 HydrophobicContact CD2-CD1 4.44Å; L58-R62 WeakPolarHBondContact O-CB 3.22Å; L58-R62 PolarHBondContact O-N 3.14Å; L58-F67 HydrophobicContact CB-CD1 4.33Å; L58-F67 HydrophobicContact CB-CE1 4.15Å; L58-F67 HydrophobicContact CD2-CD1 4.2Å; L58-F67 HydrophobicContact CD2-CD2 4.46Å; L58-F67 HydrophobicContact CD2-CE1 4.07Å; L58-F67 HydrophobicContact CD2-CE2 4.36Å; L58-F67 HydrophobicContact CD2-CG 4.4Å; L58-F67 HydrophobicContact CD2-CZ 4.16Å
59Q96.8Very high96.7Very high94 Ų94101.1 Ų101.144%0.43950%0.5SS..Hα-helixtrans-64.1-44.7172.4-76.7-179.87.600111.9N55 I57 R62 Y63N55-Q59 WeakPolarHBondContact O-CB 3.34Å; N55-Q59 VanDerWaalsContact O-CG 3.23Å; N55-Q59 WeakPolarHBondContact O-CG 3.37Å; N55-Q59 PolarHBondContact O-N 2.91Å; I57-Q59 VanDerWaalsContact C-N 3.33Å; I57-Q59 PolarHBondContact O-N 3.19Å; Q59-R62 WeakPolarHBondContact O-CB 3.47Å; Q59-R62 PolarHBondContact O-N 2.93Å; Q59-Y63 HydrophobicContact CB-CE2 4.32Å; Q59-Y63 WeakPolarHBondContact O-CD2 3.33Å; Q59-Y63 PolarHBondContact O-N 3.49Å
60K97.7Very high96.8Very high143 Ų143103.9 Ų103.962%0.62251%0.507SS*.Hα-helixtrans-61.2-45.6175.7-74.2176-179.4-179.80111.7N56 I57 R62 Y63 L64N56-K60 WeakPolarHBondContact O-CG 3.47Å; N56-K60 PolarHBondContact O-N 3.32Å; I57-K60 PolarHBondContact O-N 3.39Å; I57-K60 VanDerWaalsContact O-N 3.17Å; K60-R62 VanDerWaalsContact C-N 3.27Å; K60-R62 PolarHBondContact O-N 3.45Å; K60-Y63 PolarHBondContact O-N 2.96Å; K60-Y63 VanDerWaalsContact O-N 3.16Å; K60-L64 WeakPolarHBondContact O-CG 3.24Å; K60-L64 PolarHBondContact O-N 3.16Å
61L98Very high96.9Very high58 Ų58106.5 Ų106.530%0.30451%0.513SS..Hα-helixtrans-61-37.3176.8-68.4174.3000111.9I57 L58 L64 G65 L66 F67I57-L61 HydrophobicContact CG2-CD1 3.95Å; I57-L61 HydrophobicContact CG2-CG 4.36Å; I57-L61 WeakPolarHBondContact O-CG 3.42Å; I57-L61 PolarHBondContact O-N 3.35Å; L58-L61 HydrophobicContact CD2-CD1 4.44Å; L61-L64 PolarHBondContact O-N 3.39Å; L61-G65 PolarHBondContact O-N 3.4Å; L61-L66 HydrophobicContact CB-CB 4.44Å; L61-L66 HydrophobicContact CD2-CB 4.09Å; L61-L66 HydrophobicContact CD2-CD1 3.86Å; L61-L66 PolarHBondContact O-N 2.9Å; L61-F67 HydrophobicContact CB-CB 3.57Å; L61-F67 PolarHBondContact O-N 3.43Å
62R97Very high97Very high46 Ų46101.7 Ų101.717%0.17449%0.489CS..Hα-helixtrans-62.3-46.9173.1-174.4-172.1179.4-125.5-1.5111.9L58 Q59 K60 L64 G65 F67 N69 D73 E76L58-R62 WeakPolarHBondContact O-CB 3.22Å; L58-R62 PolarHBondContact O-N 3.14Å; Q59-R62 WeakPolarHBondContact O-CB 3.47Å; Q59-R62 PolarHBondContact O-N 2.93Å; K60-R62 VanDerWaalsContact C-N 3.27Å; K60-R62 PolarHBondContact O-N 3.45Å; R62-L64 VanDerWaalsContact C-N 3.28Å; R62-L64 PolarHBondContact O-N 3.25Å; R62-G65 PolarHBondContact O-N 3.42Å; R62-F67 VanDerWaalsContact CA-O 3.29Å; R62-F67 WeakPolarHBondContact CA-O 3.49Å; R62-F67 HydrophobicContact CB-CD1 4.35Å; R62-N69 HydrophobicContact CG-CB 4.39Å; R62-D73 IonicContact CZ-OD1 2.73Å; R62-D73 IonicContact NE-OD1 3.55Å; R62-D73 PolarHBondContact NE-OD1 3.25Å; R62-D73 IonicContact NH2-OD1 3.34Å; R62-D73 PolarHBondContact NH2-OD1 3.02Å; R62-E76 IonicContact CZ-OE1 3.49Å; R62-E76 IonicContact CZ-OE2 2.73Å; R62-E76 IonicContact NH1-OE1 3.61Å; R62-E76 PolarHBondContact NH1-OE1 3.04Å; R62-E76 IonicContact NH1-OE2 2.69Å; R62-E76 IonicContact NH2-OE1 2.81Å; R62-E76 PolarHBondContact NH2-OE1 2.88Å; R62-E76 IonicContact NH2-OE2 3.43Å; R62-E76 PolarHBondContact NH2-OE2 3.25Å
63Y95.9Very high97Very high174 Ų17497.1 Ų97.168%0.68247%0.469SS*.Hα-helixtrans-65.6-31.2178.7-65.4-47.2000113.3Q59 K60 G65Q59-Y63 HydrophobicContact CB-CE2 4.32Å; Q59-Y63 WeakPolarHBondContact O-CD2 3.33Å; Q59-Y63 PolarHBondContact O-N 3.49Å; K60-Y63 PolarHBondContact O-N 2.96Å; K60-Y63 VanDerWaalsContact O-N 3.16Å; Y63-G65 PolarHBondContact O-N 3.01Å
64L97.7Very high97.1Very high125 Ų12597.5 Ų97.565%0.65447%0.469SS*.THydrogen-bonded Turntrans-77.5-6.9173.9-66.1172.9000113.4K60 L61 R62 L66K60-L64 WeakPolarHBondContact O-CG 3.24Å; K60-L64 PolarHBondContact O-N 3.16Å; L61-L64 PolarHBondContact O-N 3.39Å; R62-L64 VanDerWaalsContact C-N 3.28Å; R62-L64 PolarHBondContact O-N 3.25Å; L64-L66 VanDerWaalsContact C-N 3.27Å; L64-L66 HydrophobicContact CB-CD1 4.09Å; L64-L66 HydrophobicContact CB-CG 4.03Å; L64-L66 HydrophobicContact CD1-CD1 4.22Å; L64-L66 PolarHBondContact O-N 2.96Å
65G96.6Very high97.1Very high67 Ų6798.2 Ų98.269%0.69147%0.471SS*.THydrogen-bonded Turntrans76.39.9-176.300000114.6L61 R62 Y63L61-G65 PolarHBondContact O-N 3.4Å; R62-G65 PolarHBondContact O-N 3.42Å; Y63-G65 PolarHBondContact O-N 3.01Å
66L97.4Very high97.2Very high131 Ų13198.7 Ų98.769%0.68647%0.47SS*.SBendtrans-86.1-16.4-179.5-60.7175.9000112.9L61 L64L61-L66 HydrophobicContact CB-CB 4.44Å; L61-L66 HydrophobicContact CD2-CB 4.09Å; L61-L66 HydrophobicContact CD2-CD1 3.86Å; L61-L66 PolarHBondContact O-N 2.9Å; L64-L66 VanDerWaalsContact C-N 3.27Å; L64-L66 HydrophobicContact CB-CD1 4.09Å; L64-L66 HydrophobicContact CB-CG 4.03Å; L64-L66 HydrophobicContact CD1-CD1 4.22Å; L64-L66 PolarHBondContact O-N 2.96Å
67F97.2Very high97.2Very high76 Ų7698.1 Ų98.133%0.33347%0.465SS..  trans-137.2129.2-178.6174.4-112.5000111.2L58 L61 R62 N69L58-F67 HydrophobicContact CB-CD1 4.33Å; L58-F67 HydrophobicContact CB-CE1 4.15Å; L58-F67 HydrophobicContact CD2-CD1 4.2Å; L58-F67 HydrophobicContact CD2-CD2 4.46Å; L58-F67 HydrophobicContact CD2-CE1 4.07Å; L58-F67 HydrophobicContact CD2-CE2 4.36Å; L58-F67 HydrophobicContact CD2-CG 4.4Å; L58-F67 HydrophobicContact CD2-CZ 4.16Å; L61-F67 HydrophobicContact CB-CB 3.57Å; L61-F67 PolarHBondContact O-N 3.43Å; R62-F67 VanDerWaalsContact CA-O 3.29Å; R62-F67 WeakPolarHBondContact CA-O 3.49Å; R62-F67 HydrophobicContact CB-CD1 4.35Å; F67-N69 HydrophobicContact CD1-CB 4.18Å; F67-N69 HydrophobicContact CE1-CB 3.64Å; F67-N69 HydrophobicContact CZ-CB 4.39Å
68R97.3Very high97.1Very high183 Ų18397.4 Ų97.469%0.69146%0.461SS*.  trans-95.1118.9174-173.1178.8177.8-164.5-4.4110.2E70R68-E70 HydrophobicContact CG-CG 4.32Å; R68-E70 IonicContact CZ-OE1 3.75Å; R68-E70 IonicContact NH1-OE1 3.8Å
69N96.8Very high97.1Very high40 Ų4096.9 Ų96.921%0.21447%0.466CS..  trans-108.685.8177.8-170.1-22.9000110.7R62 F67 H71 A72 D73R62-N69 HydrophobicContact CG-CB 4.39Å; F67-N69 HydrophobicContact CD1-CB 4.18Å; F67-N69 HydrophobicContact CE1-CB 3.64Å; F67-N69 HydrophobicContact CZ-CB 4.39Å; N69-H71 PolarHBondContact O-N 3.29Å; N69-H71 PolarHBondContact OD1-N 3.24Å; N69-A72 HydrophobicContact CB-CB 3.94Å; N69-A72 PolarHBondContact O-N 3.04Å; N69-A72 PolarHBondContact OD1-N 3.11Å; N69-D73 PolarHBondContact O-N 2.96Å
70E97.4Very high97.1Very high127 Ų12799.1 Ų99.159%0.59347%0.47SS*.Hα-helixtrans-58.6-33.1-177.2-59.1-175160.400113R68 D73 F74R68-E70 HydrophobicContact CG-CG 4.32Å; R68-E70 IonicContact CZ-OE1 3.75Å; R68-E70 IonicContact NH1-OE1 3.8Å; E70-D73 PolarHBondContact O-N 3.31Å; E70-F74 WeakPolarHBondContact O-CB 3.46Å; E70-F74 PolarHBondContact O-N 3.38Å
71H97.5Very high97.1Very high117 Ų11795.5 Ų95.554%0.54246%0.457SS..Hα-helixtrans-67.8-40.7176.8-176.678.7000112.2N69 R75N69-H71 PolarHBondContact O-N 3.29Å; N69-H71 PolarHBondContact OD1-N 3.24Å; H71-R75 PolarHBondContact CD2-NE 3.42Å; H71-R75 WeakPolarHBondContact NE2-CD 3.37Å; H71-R75 PolarHBondContact NE2-NE 3.48Å; H71-R75 WeakPolarHBondContact O-CG 3.42Å; H71-R75 PolarHBondContact O-N 3.48Å; H71-R75 VanDerWaalsContact O-N 3.17Å
72A96.3Very high97Very high6 Ų699 Ų995%0.0547%0.467CS..Hα-helixtrans-65.9-4417400000111N69 F74 R75 E76N69-A72 HydrophobicContact CB-CB 3.94Å; N69-A72 PolarHBondContact O-N 3.04Å; N69-A72 PolarHBondContact OD1-N 3.11Å; A72-F74 VanDerWaalsContact C-N 3.34Å; A72-F74 PolarHBondContact O-N 3.17Å; A72-R75 PolarHBondContact O-N 3.18Å; A72-E76 WeakPolarHBondContact O-CG 3.37Å; A72-E76 PolarHBondContact O-N 3.05Å
73D97.2Very high97Very high59 Ų59102.6 Ų102.632%0.31649%0.485SS..Hα-helixtrans-57.8-46.4178.6-58.4-17.6000111R62 N69 E70 R75 E76 E77R62-D73 IonicContact CZ-OD1 2.73Å; R62-D73 IonicContact NE-OD1 3.55Å; R62-D73 PolarHBondContact NE-OD1 3.25Å; R62-D73 IonicContact NH2-OD1 3.34Å; R62-D73 PolarHBondContact NH2-OD1 3.02Å; N69-D73 PolarHBondContact O-N 2.96Å; E70-D73 PolarHBondContact O-N 3.31Å; D73-R75 PolarHBondContact O-N 3.17Å; D73-E76 PolarHBondContact O-N 3.35Å; D73-E77 PolarHBondContact O-N 2.7Å
74F97.8Very high97Very high132 Ų132100.4 Ų100.458%0.57949%0.485SS*.Hα-helixtrans-61.3-44.9176.5179.9-99000112.5E70 A72 E76 E77 M78E70-F74 WeakPolarHBondContact O-CB 3.46Å; E70-F74 PolarHBondContact O-N 3.38Å; A72-F74 VanDerWaalsContact C-N 3.34Å; A72-F74 PolarHBondContact O-N 3.17Å; F74-E76 VanDerWaalsContact C-N 3.32Å; F74-E76 PolarHBondContact O-N 2.97Å; F74-E77 PolarHBondContact O-N 2.95Å; F74-M78 HydrophobicContact CD1-CG 4.18Å; F74-M78 HydrophobicContact CD2-CG 4.45Å; F74-M78 HydrophobicContact CE1-CG 3.77Å; F74-M78 HydrophobicContact CE2-CG 4.07Å; F74-M78 HydrophobicContact CE2-SD 4.37Å; F74-M78 HydrophobicContact CZ-CG 3.71Å; F74-M78 HydrophobicContact CZ-SD 4.14Å; F74-M78 WeakPolarHBondContact O-CB 3.41Å; F74-M78 VanDerWaalsContact O-CG 3.24Å; F74-M78 WeakPolarHBondContact O-CG 3.44Å; F74-M78 PolarHBondContact O-N 3.39Å
75R97.3Very high96.9Very high149 Ų149101.5 Ų101.556%0.56248%0.48SS*.Hα-helixtrans-63.9-38.4179-73.6-170.5-58.3170.91.9112H71 A72 D73 A79H71-R75 PolarHBondContact CD2-NE 3.42Å; H71-R75 WeakPolarHBondContact NE2-CD 3.37Å; H71-R75 PolarHBondContact NE2-NE 3.48Å; H71-R75 WeakPolarHBondContact O-CG 3.42Å; H71-R75 PolarHBondContact O-N 3.48Å; H71-R75 VanDerWaalsContact O-N 3.17Å; A72-R75 PolarHBondContact O-N 3.18Å; D73-R75 PolarHBondContact O-N 3.17Å; R75-A79 WeakPolarHBondContact O-CB 3.28Å; R75-A79 PolarHBondContact O-N 2.9Å
76E96.9Very high96.7Very high101 Ų101101.6 Ų101.647%0.47248%0.481SS..Hα-helixtrans-67.2-44.6177.3-74.9172.6-170.600111.6R62 A72 D73 F74 M78 A79 R80R62-E76 IonicContact CZ-OE1 3.49Å; R62-E76 IonicContact CZ-OE2 2.73Å; R62-E76 IonicContact NH1-OE1 3.61Å; R62-E76 PolarHBondContact NH1-OE1 3.04Å; R62-E76 IonicContact NH1-OE2 2.69Å; R62-E76 IonicContact NH2-OE1 2.81Å; R62-E76 PolarHBondContact NH2-OE1 2.88Å; R62-E76 IonicContact NH2-OE2 3.43Å; R62-E76 PolarHBondContact NH2-OE2 3.25Å; A72-E76 WeakPolarHBondContact O-CG 3.37Å; A72-E76 PolarHBondContact O-N 3.05Å; D73-E76 PolarHBondContact O-N 3.35Å; F74-E76 VanDerWaalsContact C-N 3.32Å; F74-E76 PolarHBondContact O-N 2.97Å; E76-M78 PolarHBondContact O-N 2.96Å; E76-A79 WeakPolarHBondContact O-CB 3.11Å; E76-A79 PolarHBondContact O-N 3.17Å; E76-R80 PolarHBondContact O-N 3.46Å
77E97.1Very high96.4Very high74 Ų74101.9 Ų101.935%0.34648%0.477SS..Hα-helixtrans-63.6-42.4176.8-178.554.3-158.100111.5D73 F74 A79 R80 L81D73-E77 PolarHBondContact O-N 2.7Å; F74-E77 PolarHBondContact O-N 2.95Å; E77-A79 VanDerWaalsContact C-N 3.3Å; E77-A79 PolarHBondContact O-N 2.96Å; E77-R80 WeakPolarHBondContact O-CB 3.46Å; E77-R80 PolarHBondContact O-N 3.24Å; E77-R80 IonicContact OE1-CZ 3.38Å; E77-R80 IonicContact OE1-NE 3.22Å; E77-R80 PolarHBondContact OE1-NE 3Å; E77-R80 IonicContact OE1-NH2 3.41Å; E77-R80 PolarHBondContact OE1-NH2 3.19Å; E77-R80 IonicContact OE2-CZ 3.58Å; E77-R80 IonicContact OE2-NE 3.25Å; E77-R80 PolarHBondContact OE2-NE 2.96Å; E77-R80 IonicContact OE2-NH2 2.7Å; E77-L81 HydrophobicContact CG-CD1 4.43Å; E77-L81 WeakPolarHBondContact O-CG 3.36Å; E77-L81 PolarHBondContact O-N 3.4Å
78M97.1Very high96.1Very high80 Ų8099.2 Ų99.239%0.39447%0.471SS..Hα-helixtrans-63.4-36.9175.1-70.6-60.8-7700112.3F74 E76 L81 R82F74-M78 HydrophobicContact CD1-CG 4.18Å; F74-M78 HydrophobicContact CD2-CG 4.45Å; F74-M78 HydrophobicContact CE1-CG 3.77Å; F74-M78 HydrophobicContact CE2-CG 4.07Å; F74-M78 HydrophobicContact CE2-SD 4.37Å; F74-M78 HydrophobicContact CZ-CG 3.71Å; F74-M78 HydrophobicContact CZ-SD 4.14Å; F74-M78 WeakPolarHBondContact O-CB 3.41Å; F74-M78 VanDerWaalsContact O-CG 3.24Å; F74-M78 WeakPolarHBondContact O-CG 3.44Å; F74-M78 PolarHBondContact O-N 3.39Å; E76-M78 PolarHBondContact O-N 2.96Å; M78-L81 HydrophobicContact SD-CD1 4.43Å; M78-R82 WeakPolarHBondContact O-CB 3.39Å; M78-R82 VanDerWaalsContact O-CG 3.28Å; M78-R82 WeakPolarHBondContact O-CG 3.38Å; M78-R82 PolarHBondContact O-N 2.97Å
79A96.5Very high95.7Very high53 Ų53100.3 Ų100.344%0.43848%0.48SS..Hα-helixtrans-65.9-41.817400000111.7R75 E76 E77 R82 Q83R75-A79 WeakPolarHBondContact O-CB 3.28Å; R75-A79 PolarHBondContact O-N 2.9Å; E76-A79 WeakPolarHBondContact O-CB 3.11Å; E76-A79 PolarHBondContact O-N 3.17Å; E77-A79 VanDerWaalsContact C-N 3.3Å; E77-A79 PolarHBondContact O-N 2.96Å; A79-R82 WeakPolarHBondContact O-CB 3.39Å; A79-R82 PolarHBondContact O-N 3.44Å; A79-Q83 PolarHBondContact O-N 2.95Å
80R96.6Very high95.2Very high141 Ų141105.9 Ų105.953%0.53250%0.498SS..Hα-helixtrans-58.1-50.9174.9-170.6-173.878.2119.93.2111.5E76 E77 R82 Q83 L84E76-R80 PolarHBondContact O-N 3.46Å; E77-R80 WeakPolarHBondContact O-CB 3.46Å; E77-R80 PolarHBondContact O-N 3.24Å; E77-R80 IonicContact OE1-CZ 3.38Å; E77-R80 IonicContact OE1-NE 3.22Å; E77-R80 PolarHBondContact OE1-NE 3Å; E77-R80 IonicContact OE1-NH2 3.41Å; E77-R80 PolarHBondContact OE1-NH2 3.19Å; E77-R80 IonicContact OE2-CZ 3.58Å; E77-R80 IonicContact OE2-NE 3.25Å; E77-R80 PolarHBondContact OE2-NE 2.96Å; E77-R80 IonicContact OE2-NH2 2.7Å; R80-R82 VanDerWaalsContact C-N 3.29Å; R80-R82 PolarHBondContact O-N 3.33Å; R80-Q83 WeakPolarHBondContact O-CB 3.44Å; R80-Q83 PolarHBondContact O-N 3.41Å; R80-Q83 VanDerWaalsContact O-N 3.11Å; R80-L84 PolarHBondContact O-N 3.42Å
81L97.5Very high94.7Very high67 Ų67107.2 Ų107.235%0.35150%0.502SS..Hα-helixtrans-63.7-32.6177.6-66.3175.3000112.9E77 M78 L84 R85E77-L81 HydrophobicContact CG-CD1 4.43Å; E77-L81 WeakPolarHBondContact O-CG 3.36Å; E77-L81 PolarHBondContact O-N 3.4Å; M78-L81 HydrophobicContact SD-CD1 4.43Å; L81-L84 HydrophobicContact CD2-CD1 4.49Å; L81-R85 WeakPolarHBondContact O-CG 3.45Å; L81-R85 PolarHBondContact O-N 3.39Å; L81-R85 PolarHBondContact O-NE 2.73Å; L81-R85 VanDerWaalsContact O-NE 3.16Å
82R96.8Very high94Very high132 Ų132112.2 Ų112.250%0.49852%0.522SS..Hα-helixtrans-67.9-39.8172.7-79.1-176.663.9168.72.1112.1M78 A79 R80 R85 G86 K87 G88M78-R82 WeakPolarHBondContact O-CB 3.39Å; M78-R82 VanDerWaalsContact O-CG 3.28Å; M78-R82 WeakPolarHBondContact O-CG 3.38Å; M78-R82 PolarHBondContact O-N 2.97Å; A79-R82 WeakPolarHBondContact O-CB 3.39Å; A79-R82 PolarHBondContact O-N 3.44Å; R80-R82 VanDerWaalsContact C-N 3.29Å; R80-R82 PolarHBondContact O-N 3.33Å; R82-R85 PolarHBondContact O-N 3.19Å; R82-G86 PolarHBondContact O-N 2.69Å; R82-K87 PolarHBondContact NE-O 3.37Å; R82-K87 PolarHBondContact NH2-O 3.21Å; R82-K87 VanDerWaalsContact NH2-O 3.14Å; R82-K87 CarbonylContact O-C 3.35Å; R82-K87 WeakPolarHBondContact O-CA 3.29Å; R82-K87 PolarHBondContact O-N 3.06Å; R82-G88 PolarHBondContact O-N 3.41Å
83Q95.3Very high93.4Very high121 Ų121115 Ų11557%0.56555%0.551SS**Hα-helixtrans-62-45.1176.2-171.763.135.100111A79 R80 R85 G86 G88A79-Q83 PolarHBondContact O-N 2.95Å; R80-Q83 WeakPolarHBondContact O-CB 3.44Å; R80-Q83 PolarHBondContact O-N 3.41Å; R80-Q83 VanDerWaalsContact O-N 3.11Å; Q83-R85 VanDerWaalsContact C-N 3.25Å; Q83-R85 PolarHBondContact O-N 2.81Å; Q83-G86 PolarHBondContact O-N 3.34Å; Q83-G88 VanDerWaalsContact OE1-CA 3.22Å
84L95.8Very high92.5Very high128 Ų128116.8 Ų116.867%0.6756%0.558SS**Hα-helixtrans-61.6-31.2176.9-68.9173.4000113.2R80 L81 G86R80-L84 PolarHBondContact O-N 3.42Å; L81-L84 HydrophobicContact CD2-CD1 4.49Å; L84-G86 PolarHBondContact O-N 3Å
85R95.5Very high91.3Very high148 Ų148113.2 Ų113.256%0.55855%0.549SS*.THydrogen-bonded Turntrans-80.22.8174.1-70179.8-67.6-174.9-1.2114.1L81 R82 Q83 K87L81-R85 WeakPolarHBondContact O-CG 3.45Å; L81-R85 PolarHBondContact O-N 3.39Å; L81-R85 PolarHBondContact O-NE 2.73Å; L81-R85 VanDerWaalsContact O-NE 3.16Å; R82-R85 PolarHBondContact O-N 3.19Å; Q83-R85 VanDerWaalsContact C-N 3.25Å; Q83-R85 PolarHBondContact O-N 2.81Å; R85-K87 HydrophobicContact CB-CG 4.47Å; R85-K87 PolarHBondContact O-N 3.4Å
86G92.4Very high89.9Confident69 Ų69113.8 Ų113.871%0.71156%0.556SS**THydrogen-bonded Turntrans69.99.1-172.700000114.3R82 Q83 L84 G88R82-G86 PolarHBondContact O-N 2.69Å; Q83-G86 PolarHBondContact O-N 3.34Å; L84-G86 PolarHBondContact O-N 3Å; G86-G88 VanDerWaalsContact C-N 3.31Å
87K92.8Very high88.6Confident137 Ų137118.7 Ų118.760%0.59657%0.57SS**  trans-99.327.5178.6-62.4-177.2-178.5-178.60112.1R82 R85R82-K87 PolarHBondContact NE-O 3.37Å; R82-K87 PolarHBondContact NH2-O 3.21Å; R82-K87 VanDerWaalsContact NH2-O 3.14Å; R82-K87 CarbonylContact O-C 3.35Å; R82-K87 WeakPolarHBondContact O-CA 3.29Å; R82-K87 PolarHBondContact O-N 3.06Å; R85-K87 HydrophobicContact CB-CG 4.47Å; R85-K87 PolarHBondContact O-N 3.4Å
88G90.1Very high86.8Confident20 Ų20116.6 Ų116.621%0.20657%0.568CS.*PPolyproline II helixtrans-62.8169.6176.300000113.2R82 Q83 G86 R90R82-G88 PolarHBondContact O-N 3.41Å; Q83-G88 VanDerWaalsContact OE1-CA 3.22Å; G86-G88 VanDerWaalsContact C-N 3.31Å; G88-R90 PolarHBondContact O-N 2.95Å
89K88.6Confident84.9Confident206 Ų206119.3 Ų119.390%0.89658%0.584SS**PPolyproline II helixtrans-67.3127.7170.6-69.6-177.4-179.7178.10108.2
90R86.7Confident83.1Confident157 Ų157120.7 Ų120.759%0.59260%0.595SS**PPolyproline II helixtrans-67.9152.5172.1-64.8-179.3177.2169.6-3.3109.9G88G88-R90 PolarHBondContact O-N 2.95Å
91K85.9Confident81.2Confident154 Ų154122.1 Ų122.167%0.6761%0.608SS**PPolyproline II helixtrans-66.4144.3172.9-60.5-178.2-179.7172.90109.1G93 E94K91-G93 PolarHBondContact O-N 3.46Å; K91-G93 VanDerWaalsContact O-N 3.1Å; K91-E94 HydrophobicContact CB-CG 4.18Å; K91-E94 WeakPolarHBondContact CB-OE2 3.34Å; K91-E94 PolarHBondContact N-OE2 3.2Å; K91-E94 PolarHBondContact O-N 2.9Å; K91-E94 VanDerWaalsContact O-N 3.1Å
92K84.5Confident78.8Confident223 Ų223130.6 Ų130.697%0.9765%0.645SS**THydrogen-bonded Turntrans-58.6116.9177.6-172.9-179.3179.7-175.90108.2
93G83.2Confident77.9Confident63 Ų63130.5 Ų130.565%0.64965%0.653SS**THydrogen-bonded Turntrans115.5-30.1-176.700000114.5K91 S95K91-G93 PolarHBondContact O-N 3.46Å; K91-G93 VanDerWaalsContact O-N 3.1Å; G93-S95 PolarHBondContact O-N 3.16Å
94E78.3Confident77Confident97 Ų97131 Ų13145%0.45366%0.657SS.*  trans-81.134.3-178.8-62.4173.616800112.9K91K91-E94 HydrophobicContact CB-CG 4.18Å; K91-E94 WeakPolarHBondContact CB-OE2 3.34Å; K91-E94 PolarHBondContact N-OE2 3.2Å; K91-E94 PolarHBondContact O-N 2.9Å; K91-E94 VanDerWaalsContact O-N 3.1Å
95S72.2Confident75.9Confident58 Ų58131.2 Ų131.241%0.40666%0.657SS.*  trans-61.6157.7175.777.30000109.6G93 R97 G98G93-S95 PolarHBondContact O-N 3.16Å; S95-R97 PolarHBondContact O-N 2.73Å; S95-R97 PolarHBondContact OG-N 3.22Å; S95-G98 PolarHBondContact O-N 3.45Å
96K67.8Low74.8Confident161 Ų161130.2 Ų130.270%0.766%0.663SS**THydrogen-bonded Turntrans-52.9-21.7175.9-66.9-168.3175.3-176.90112.4
97R69.2Low73.7Confident203 Ų203134 Ų13477%0.76666%0.659SS**THydrogen-bonded Turntrans-75.7-30.5176.9-58179.9-180171.2-1.4113.3S95S95-R97 PolarHBondContact O-N 2.73Å; S95-R97 PolarHBondContact OG-N 3.22Å
98G59.4Low72.4Confident30 Ų30133.8 Ų133.831%0.30966%0.664SS.*THydrogen-bonded Turntrans-75.9-30.3179.200000113.6S95 A100S95-G98 PolarHBondContact O-N 3.45Å; G98-A100 VanDerWaalsContact C-N 3.32Å
99L57.7Low71.1Confident137 Ų137141.9 Ų141.972%0.71770%0.696SS**THydrogen-bonded Turntrans-76.5-17.6174.8-83.1147.2000113.4
100A59.2Low69.8Low82 Ų82137 Ų13768%0.67868%0.681SS**THydrogen-bonded Turntrans-90.91179.800000113.5G98G98-A100 VanDerWaalsContact C-N 3.32Å
101Q56.6Low68.4Low172 Ų172135.3 Ų135.380%0.80469%0.688SS**  trans-114.317.6-177.4-68.4-176.7-10.300113.2
102Q46.6Very low66.8Low244 Ų244133.6 Ų133.6100%1.1469%0.69SS**  trans-1160171-70.6-175.816.100110.6

Retrieved 102 of 102 residues in 19.2 ms (Link to these results)