RBM4_HUMAN Loading...

RNA-binding protein 4

RNA-binding factor involved in multiple aspects of cellular processes like alternative splicing of pre-mRNA and translation regulation. Modulates alternative 5'-splice site and exon selection. Acts as a muscle cell differentiation-promoting factor. Activates exon skipping of the PTB pre-mRNA during muscle cell differentiation. Antagonizes the activity of the splicing factor PTBP1 to modulate muscle cell-specific exon selection of alpha tropomyosin. Binds to intronic pyrimidine-rich sequence of the TPM1 and MAPT pre-mRNAs. Required for the translational activation of PER1 mRNA in response to circadian clock. Binds directly to the 3'-UTR of the PER1 mRNA. Exerts a suppressive activity on Cap-dependent translation via binding to CU-rich responsive elements within the 3'UTR of mRNAs, a process increased under stress conditions or during myocytes differentiation. Recruits EIF4A1 to stimulate IRES-dependent translation initiation in respons to cellular stress. Associates to internal ribosome entry segment (IRES) in target mRNA species under stress conditions. Plays a role for miRNA-guided RNA cleavage and translation suppression by promoting association of AGO2-containing miRNPs with their cognate target mRNAs. Associates with miRNAs during muscle cell differentiation. Binds preferentially to 5'-CGCGCG[GCA]-3' motif in vitro.

AlphaFold DB , UniProt , Accession Q9BWF3, Species HUMAN (Homo sapiens, Human), Gene RBM4, Length 364 aa.

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

 

Download Structure   PDB   PAE   Table  
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
1M76.5Confident90.5Very high140 Ų14056.5 Ų56.569%0.6926%0.263SS*.  0125.10-172.2-178.2-171.300109.7L29 H41 I42 E43M1-L29 HydrophobicContact CE-CD1 4.25Å; M1-L29 HydrophobicContact CG-CD1 4.17Å; M1-L29 HydrophobicContact SD-CD1 4.31Å; M1-H41 HydrophobicContact CE-CB 3.46Å; M1-H41 VanDerWaalsContact CE-CB 3.46Å; M1-H41 VanDerWaalsContact CE-CG 3.46Å; M1-I42 CarbonylContact C-O 3.58Å; M1-I42 WeakPolarHBondContact CA-O 3.2Å; M1-E43 WeakPolarHBondContact CA-O 3.28Å; M1-E43 PolarHBondContact N-O 3.44Å
2V88.4Confident90.5Very high37 Ų3762.3 Ų62.322%0.22429%0.291CS..EExtended strand (participates in β ladder)trans-125.8133.6176.3-1790000108.6L4 I42 K45 A48V2-L4 HydrophobicContact CG1-CD2 4.14Å; V2-I42 PolarHBondContact N-O 3.46Å; V2-I42 PolarHBondContact O-N 2.89Å; V2-K45 HydrophobicContact CG2-CB 3.82Å; V2-K45 HydrophobicContact CG2-CG 3.98Å; V2-A48 HydrophobicContact CB-CB 3.76Å; V2-A48 HydrophobicContact CG1-CB 3.92Å; V2-A48 HydrophobicContact CG2-CB 4.26Å
3K91.6Very high90.4Very high59 Ų5958.3 Ų58.326%0.25728%0.275SS..EExtended strand (participates in β ladder)trans-89.7130173-172175.4-175.1154.20109F39 H41 S70K3-F39 HydrophobicContact CD-CD1 4.23Å; K3-F39 HydrophobicContact CG-CD1 4.32Å; K3-H41 WeakPolarHBondContact CD-NE2 3.43Å; K3-H41 WeakPolarHBondContact CG-NE2 3.02Å; K3-S70 WeakPolarHBondContact O-CB 3.34Å; K3-S70 PolarHBondContact O-N 3.47Å
4L93.5Very high90.6Very high0 Ų058.2 Ų58.20%028%0.28CS..EExtended strand (participates in β ladder)trans-107.2141.7173.8-60.8-173.3000109.4V2 F22 F39 V40 I42 A48 A51 I52 V67 E68V2-L4 HydrophobicContact CG1-CD2 4.14Å; L4-F22 HydrophobicContact CD1-CD1 3.93Å; L4-F22 HydrophobicContact CD1-CE1 3.58Å; L4-F39 VanDerWaalsContact O-CA 3.28Å; L4-F39 WeakPolarHBondContact O-CA 3.22Å; L4-V40 PolarHBondContact N-O 3.06Å; L4-V40 PolarHBondContact O-N 3.13Å; L4-I42 HydrophobicContact CD1-CD1 3.55Å; L4-I42 HydrophobicContact CD1-CG1 4.3Å; L4-I42 HydrophobicContact CG-CD1 4.45Å; L4-A48 HydrophobicContact CD1-CB 4.28Å; L4-A48 HydrophobicContact CD2-CB 4.12Å; L4-A48 HydrophobicContact CG-CB 4.4Å; L4-A51 HydrophobicContact CD1-CB 4.12Å; L4-I52 HydrophobicContact CD1-CG1 4.33Å; L4-I52 HydrophobicContact CD2-CD1 3.51Å; L4-I52 HydrophobicContact CD2-CG1 3.67Å; L4-V67 HydrophobicContact CD1-CG1 4.5Å; L4-E68 WeakPolarHBondContact CA-O 3.04Å
5F93.6Very high90.7Very high59 Ų5959.5 Ų59.526%0.25929%0.286SS..EExtended strand (participates in β ladder)trans-102.5129.9171.6172-103000108.7Y37 F39 V67 E68F5-Y37 AromaticContact CE2-CD2 3.8Å; F5-Y37 HydrophobicContact CE2-CD2 3.8Å; F5-Y37 AromaticContact CE2-CG 3.88Å; F5-Y37 HydrophobicContact CE2-CG 3.88Å; F5-Y37 HydrophobicContact CZ-CG 4.37Å; F5-F39 HydrophobicContact CB-CD1 4.37Å; F5-F39 HydrophobicContact CB-CE1 4.23Å; F5-F39 HydrophobicContact CD2-CD1 4.11Å; F5-F39 AromaticContact CD2-CE1 3.53Å; F5-F39 HydrophobicContact CD2-CE1 3.53Å; F5-F39 AromaticContact CD2-CZ 3.97Å; F5-F39 HydrophobicContact CD2-CZ 3.97Å; F5-F39 HydrophobicContact CE2-CE1 4.42Å; F5-F39 HydrophobicContact CE2-CZ 4.44Å; F5-F39 HydrophobicContact CG-CE1 4.35Å; F5-V67 WeakPolarHBondContact O-CA 3.23Å; F5-E68 PolarHBondContact N-O 2.85Å; F5-E68 PolarHBondContact O-N 2.87Å
6I93.3Very high90.8Very high0 Ų063.5 Ų63.50%030%0.304CS..EExtended strand (participates in β ladder)trans-116.7101.8178.4-50166000107.6L9 I18 F22 Y37 G38 V40 I65 N66 V67I6-L9 HydrophobicContact CB-CD1 4.39Å; I6-L9 HydrophobicContact CB-CG 4.48Å; I6-L9 HydrophobicContact CG2-CD1 4.17Å; I6-L9 HydrophobicContact CG2-CD2 3.56Å; I6-L9 HydrophobicContact CG2-CG 3.83Å; I6-I18 HydrophobicContact CD1-CG2 3.41Å; I6-I18 VanDerWaalsContact CD1-CG2 3.41Å; I6-F22 HydrophobicContact CD1-CD2 4.04Å; I6-F22 HydrophobicContact CD1-CE1 4.47Å; I6-F22 HydrophobicContact CD1-CE2 3.22Å; I6-F22 HydrophobicContact CD1-CZ 3.46Å; I6-F22 VanDerWaalsContact CD1-CZ 3.46Å; I6-F22 HydrophobicContact CG1-CE2 3.96Å; I6-F22 HydrophobicContact CG1-CZ 3.7Å; I6-Y37 CarbonylContact O-C 3.42Å; I6-Y37 WeakPolarHBondContact O-CA 3.45Å; I6-Y37 VanDerWaalsContact O-CB 3.27Å; I6-Y37 WeakPolarHBondContact O-CB 3.32Å; I6-G38 PolarHBondContact N-O 3.24Å; I6-G38 PolarHBondContact O-N 2.77Å; I6-V40 HydrophobicContact CD1-CB 4.24Å; I6-V40 HydrophobicContact CD1-CG2 3.43Å; I6-V40 VanDerWaalsContact CD1-CG2 3.43Å; I6-I65 HydrophobicContact CG2-CB 4.27Å; I6-I65 HydrophobicContact CG2-CD1 4.32Å; I6-N66 CarbonylContact C-O 3.35Å; I6-N66 VanDerWaalsContact CA-O 3.24Å; I6-N66 WeakPolarHBondContact CA-O 3.35Å; I6-V67 HydrophobicContact CG2-CG2 4.36Å
7G93Very high90.9Very high6 Ų664.1 Ų64.16%0.06231%0.307CS..EExtended strand (participates in β ladder)trans-89.8166.7175.500000112.8L9 N66G7-L9 PolarHBondContact O-N 3.5Å; G7-N66 PolarHBondContact N-O 3.17Å; G7-N66 PolarHBondContact O-N 2.85Å
8N93.4Very high91Very high100 Ų10060.6 Ų60.654%0.53529%0.29SS..SBendtrans58.334.9174.4-152.951.9000113.6N36 V63 N64N8-N36 PolarHBondContact N-O 3.35Å; N8-V63 WeakPolarHBondContact ND2-CG1 3.33Å; N8-V63 WeakPolarHBondContact O-CG1 3.36Å; N8-N64 PolarHBondContact ND2-O 3.29Å
9L92.3Very high91.2Very high6 Ų662.2 Ų62.23%0.03129%0.292CS..  trans-69.8132.7173.2-72.2178.6000109.8I6 G7 A13 I18 I33 N36 I65I6-L9 HydrophobicContact CB-CD1 4.39Å; I6-L9 HydrophobicContact CB-CG 4.48Å; I6-L9 HydrophobicContact CG2-CD1 4.17Å; I6-L9 HydrophobicContact CG2-CD2 3.56Å; I6-L9 HydrophobicContact CG2-CG 3.83Å; G7-L9 PolarHBondContact O-N 3.5Å; L9-A13 HydrophobicContact CB-CB 4.49Å; L9-A13 HydrophobicContact CD2-CB 4.38Å; L9-I18 HydrophobicContact CD2-CD1 3.55Å; L9-I18 HydrophobicContact CD2-CG1 4.19Å; L9-I33 HydrophobicContact CD1-CD1 4.31Å; L9-I33 HydrophobicContact CD1-CG1 4.29Å; L9-I33 HydrophobicContact CD1-CG2 4.17Å; L9-N36 PolarHBondContact N-O 3.29Å; L9-I65 HydrophobicContact CD2-CB 4.43Å; L9-I65 HydrophobicContact CD2-CG2 3.83Å
10P90.9Very high91.3Very high12 Ų1262.3 Ų62.38%0.07830%0.301CS..  trans-67.1156.8171.329.7-32.7000110E12 A13 L60 H61 V63P10-E12 WeakPolarHBondContact CB-OE2 3.4Å; P10-E12 PolarHBondContact O-N 3.35Å; P10-A13 HydrophobicContact CG-CB 3.94Å; P10-A13 WeakPolarHBondContact O-CB 3.33Å; P10-A13 PolarHBondContact O-N 3.08Å; P10-A13 VanDerWaalsContact O-N 3.13Å; P10-L60 HydrophobicContact CG-CD2 3.65Å; P10-H61 HydrophobicContact CB-CB 4.26Å; P10-H61 HydrophobicContact CG-CB 3.92Å; P10-V63 HydrophobicContact CB-CB 4.36Å; P10-V63 HydrophobicContact CB-CG2 4.12Å
11R89.4Confident91.3Very high202 Ų20260.3 Ų60.376%0.76229%0.291SS*.THydrogen-bonded Turntrans-67.5-22.6-176.9-70.1179.5178.6-88.41.8112.3A13R11-A13 VanDerWaalsContact C-N 3.34Å
12E90.2Very high92.1Very high126 Ų12653.6 Ų53.659%0.58926%0.258SS*.THydrogen-bonded Turntrans-80.5-16.2179.4-58.173.5-160.600112.2P10 T14P10-E12 WeakPolarHBondContact CB-OE2 3.4Å; P10-E12 PolarHBondContact O-N 3.35Å; E12-T14 PolarHBondContact O-N 2.87Å
13A89.8Confident92.4Very high11 Ų1156.1 Ų56.19%0.09127%0.268CS..  trans-64.5122.8179.900000111L9 P10 R11 L60L9-A13 HydrophobicContact CB-CB 4.49Å; L9-A13 HydrophobicContact CD2-CB 4.38Å; P10-A13 HydrophobicContact CG-CB 3.94Å; P10-A13 WeakPolarHBondContact O-CB 3.33Å; P10-A13 PolarHBondContact O-N 3.08Å; P10-A13 VanDerWaalsContact O-N 3.13Å; R11-A13 VanDerWaalsContact C-N 3.34Å; A13-L60 HydrophobicContact CB-CD2 3.47Å; A13-L60 VanDerWaalsContact CB-CD2 3.47Å
14T92.3Very high92.4Very high57 Ų5760.2 Ų60.235%0.3529%0.288SS..  trans-93155.2175.962.20000111.6E12 Q16 E17 I18 I33E12-T14 PolarHBondContact O-N 2.87Å; T14-Q16 PolarHBondContact O-N 3.44Å; T14-E17 PolarHBondContact N-OE2 2.85Å; T14-E17 PolarHBondContact O-N 2.84Å; T14-E17 VanDerWaalsContact OG1-CG 3.26Å; T14-E17 WeakPolarHBondContact OG1-CG 3.46Å; T14-E17 PolarHBondContact OG1-N 2.83Å; T14-I18 PolarHBondContact O-N 2.91Å; T14-I33 VanDerWaalsContact C-CD1 3.47Å
15E92.6Very high92.4Very high77 Ų7763.7 Ų63.736%0.3630%0.301SS..Hα-helixtrans-58.3-38.9175.9-169.5-162.2134.700111I18 R19 C31 I33E15-I18 PolarHBondContact O-N 3.48Å; E15-R19 WeakPolarHBondContact O-CB 3.44Å; E15-R19 PolarHBondContact O-N 3.18Å; E15-C31 HydrophobicContact CG-CB 3.91Å; E15-C31 WeakPolarHBondContact CG-O 3.49Å; E15-C31 VanDerWaalsContact CG-SG 3.58Å; E15-C31 VanDerWaalsContact OE1-O 3.09Å; E15-I33 HydrophobicContact CB-CD1 4.28Å; E15-I33 HydrophobicContact CB-CG1 4.48Å
16Q92.5Very high92.2Very high124 Ų12461.6 Ų61.658%0.57930%0.297SS*.Hα-helixtrans-63.7-44.2179-63.681.17.700111.9T14 R19 S20T14-Q16 PolarHBondContact O-N 3.44Å; Q16-R19 PolarHBondContact O-N 3.27Å; Q16-S20 WeakPolarHBondContact O-CB 3.4Å; Q16-S20 PolarHBondContact O-N 3.31Å; Q16-S20 PolarHBondContact O-OG 3.35Å
17E92.5Very high92.3Very high74 Ų7467.6 Ų67.635%0.34632%0.323SS..Hα-helixtrans-61-46.9177.2-79171.8-178.100111.7T14 S20 L21 H61T14-E17 PolarHBondContact N-OE2 2.85Å; T14-E17 PolarHBondContact O-N 2.84Å; T14-E17 VanDerWaalsContact OG1-CG 3.26Å; T14-E17 WeakPolarHBondContact OG1-CG 3.46Å; T14-E17 PolarHBondContact OG1-N 2.83Å; E17-S20 PolarHBondContact O-N 3.24Å; E17-L21 WeakPolarHBondContact O-CG 3.24Å; E17-L21 PolarHBondContact O-N 3.29Å; E17-H61 IonicContact OE1-CE1 3.69Å; E17-H61 IonicContact OE1-NE2 3.5Å; E17-H61 PolarHBondContact OE1-NE2 3.05Å; E17-H61 IonicContact OE2-CD2 3.74Å; E17-H61 IonicContact OE2-CE1 3.7Å; E17-H61 IonicContact OE2-NE2 2.77Å; E17-H61 PolarHBondContact OE2-NE2 3.27Å
18I92.7Very high92.3Very high1 Ų167.7 Ų67.71%0.00532%0.322CS..Hα-helixtrans-62.7-48.8177.5-62.9-53.6000109.8I6 L9 T14 E15 S20 L21 F22 I33 V40 L60I6-I18 HydrophobicContact CD1-CG2 3.41Å; I6-I18 VanDerWaalsContact CD1-CG2 3.41Å; L9-I18 HydrophobicContact CD2-CD1 3.55Å; L9-I18 HydrophobicContact CD2-CG1 4.19Å; T14-I18 PolarHBondContact O-N 2.91Å; E15-I18 PolarHBondContact O-N 3.48Å; I18-S20 VanDerWaalsContact C-N 3.35Å; I18-S20 PolarHBondContact O-N 3.22Å; I18-L21 HydrophobicContact CD1-CD1 4.42Å; I18-L21 WeakPolarHBondContact O-CB 3.16Å; I18-L21 PolarHBondContact O-N 3.41Å; I18-L21 VanDerWaalsContact O-N 3.09Å; I18-F22 HydrophobicContact CG2-CD2 3.82Å; I18-F22 HydrophobicContact CG2-CE2 3.88Å; I18-F22 VanDerWaalsContact O-CD2 3.28Å; I18-F22 WeakPolarHBondContact O-CD2 3.38Å; I18-F22 PolarHBondContact O-N 3.05Å; I18-F22 VanDerWaalsContact O-N 3.08Å; I18-I33 HydrophobicContact CB-CD1 4.39Å; I18-I33 HydrophobicContact CG1-CD1 3.8Å; I18-V40 HydrophobicContact CG2-CG2 3.9Å; I18-L60 HydrophobicContact CD1-CD1 4.16Å; I18-L60 HydrophobicContact CD1-CD2 4.21Å
19R94.1Very high92.3Very high90 Ų9066.6 Ų66.634%0.3432%0.316SS..Hα-helixtrans-54.8-48.8177.6-177.3178.3179.91417112.2E15 Q16 L21 F22 E23 V28 C31E15-R19 WeakPolarHBondContact O-CB 3.44Å; E15-R19 PolarHBondContact O-N 3.18Å; Q16-R19 PolarHBondContact O-N 3.27Å; R19-L21 VanDerWaalsContact C-N 3.28Å; R19-L21 PolarHBondContact O-N 2.72Å; R19-F22 PolarHBondContact O-N 2.99Å; R19-E23 HydrophobicContact CG-CG 4.22Å; R19-E23 WeakPolarHBondContact CG-OE1 3.31Å; R19-E23 IonicContact CZ-OE1 3.01Å; R19-E23 IonicContact NE-OE1 2.88Å; R19-E23 PolarHBondContact NE-OE1 3.33Å; R19-E23 IonicContact NH2-OE1 2.73Å; R19-E23 WeakPolarHBondContact O-CB 3.26Å; R19-E23 VanDerWaalsContact O-CG 3.31Å; R19-E23 WeakPolarHBondContact O-CG 3.24Å; R19-E23 PolarHBondContact O-N 3.3Å; R19-V28 HydrophobicContact CG-CB 4.35Å; R19-V28 HydrophobicContact CG-CG1 4.17Å; R19-C31 HydrophobicContact CB-CB 4.37Å
20S93.4Very high92.3Very high65 Ų6570.5 Ų70.546%0.45533%0.334SS..Hα-helixtrans-64.3-29.3178.5-64.90000113.7Q16 E17 I18 Q24Q16-S20 WeakPolarHBondContact O-CB 3.4Å; Q16-S20 PolarHBondContact O-N 3.31Å; Q16-S20 PolarHBondContact O-OG 3.35Å; E17-S20 PolarHBondContact O-N 3.24Å; I18-S20 VanDerWaalsContact C-N 3.35Å; I18-S20 PolarHBondContact O-N 3.22Å; S20-Q24 PolarHBondContact O-NE2 3.47Å
21L92.1Very high92.3Very high20 Ų2070.1 Ų70.111%0.10533%0.331CS..Hα-helixtrans-68.6-42.6172.8-73.8165.7000112E17 I18 R19 Y58 L60E17-L21 WeakPolarHBondContact O-CG 3.24Å; E17-L21 PolarHBondContact O-N 3.29Å; I18-L21 HydrophobicContact CD1-CD1 4.42Å; I18-L21 WeakPolarHBondContact O-CB 3.16Å; I18-L21 PolarHBondContact O-N 3.41Å; I18-L21 VanDerWaalsContact O-N 3.09Å; R19-L21 VanDerWaalsContact C-N 3.28Å; R19-L21 PolarHBondContact O-N 2.72Å; L21-Y58 HydrophobicContact CD1-CD1 4.39Å; L21-Y58 HydrophobicContact CD1-CE1 4.13Å; L21-Y58 HydrophobicContact CD2-CE1 3.88Å; L21-L60 HydrophobicContact CD1-CD1 3.26Å
22F92.9Very high92.5Very high0 Ų063.8 Ų63.80%031%0.313CS..Hα-helixtrans-78.2-28.7-179.6-78-90.4000113.1L4 I6 I18 R19 Q24 Y25 G26 V28 V40 I42 A51 L55 V67L4-F22 HydrophobicContact CD1-CD1 3.93Å; L4-F22 HydrophobicContact CD1-CE1 3.58Å; I6-F22 HydrophobicContact CD1-CD2 4.04Å; I6-F22 HydrophobicContact CD1-CE1 4.47Å; I6-F22 HydrophobicContact CD1-CE2 3.22Å; I6-F22 HydrophobicContact CD1-CZ 3.46Å; I6-F22 VanDerWaalsContact CD1-CZ 3.46Å; I6-F22 HydrophobicContact CG1-CE2 3.96Å; I6-F22 HydrophobicContact CG1-CZ 3.7Å; I18-F22 HydrophobicContact CG2-CD2 3.82Å; I18-F22 HydrophobicContact CG2-CE2 3.88Å; I18-F22 VanDerWaalsContact O-CD2 3.28Å; I18-F22 WeakPolarHBondContact O-CD2 3.38Å; I18-F22 PolarHBondContact O-N 3.05Å; I18-F22 VanDerWaalsContact O-N 3.08Å; R19-F22 PolarHBondContact O-N 2.99Å; F22-Q24 PolarHBondContact O-N 3.39Å; F22-Q24 VanDerWaalsContact O-N 3.16Å; F22-Y25 PolarHBondContact O-N 2.83Å; F22-G26 PolarHBondContact O-N 2.98Å; F22-V28 HydrophobicContact CB-CG2 3.64Å; F22-V40 HydrophobicContact CB-CG1 4.01Å; F22-V40 HydrophobicContact CD1-CG1 4.19Å; F22-V40 HydrophobicContact CD2-CG2 4.13Å; F22-V40 HydrophobicContact CE2-CG2 4.44Å; F22-V40 HydrophobicContact CG-CB 4.47Å; F22-V40 HydrophobicContact CG-CG1 3.99Å; F22-V40 HydrophobicContact CG-CG2 4.36Å; F22-I42 HydrophobicContact CD1-CD1 3.98Å; F22-A51 HydrophobicContact CD1-CB 3.84Å; F22-A51 HydrophobicContact CE1-CB 4.01Å; F22-L55 HydrophobicContact CD1-CD1 3.71Å; F22-L55 HydrophobicContact CD2-CD1 3.95Å; F22-L55 HydrophobicContact CE1-CD1 3.64Å; F22-L55 HydrophobicContact CE2-CD1 3.82Å; F22-L55 HydrophobicContact CG-CD1 3.9Å; F22-L55 HydrophobicContact CZ-CD1 3.69Å; F22-V67 HydrophobicContact CE1-CG1 3.81Å; F22-V67 HydrophobicContact CZ-CB 4.48Å; F22-V67 HydrophobicContact CZ-CG1 3.73Å; F22-V67 HydrophobicContact CZ-CG2 3.83Å
23E93.6Very high92.6Very high90 Ų9060.3 Ų60.342%0.42130%0.297SS..Hα-helixtrans-59.7-23176-82.6176.7177.300113.5R19 Y25 G26 V28R19-E23 HydrophobicContact CG-CG 4.22Å; R19-E23 WeakPolarHBondContact CG-OE1 3.31Å; R19-E23 IonicContact CZ-OE1 3.01Å; R19-E23 IonicContact NE-OE1 2.88Å; R19-E23 PolarHBondContact NE-OE1 3.33Å; R19-E23 IonicContact NH2-OE1 2.73Å; R19-E23 WeakPolarHBondContact O-CB 3.26Å; R19-E23 VanDerWaalsContact O-CG 3.31Å; R19-E23 WeakPolarHBondContact O-CG 3.24Å; R19-E23 PolarHBondContact O-N 3.3Å; E23-Y25 VanDerWaalsContact C-N 3.27Å; E23-Y25 PolarHBondContact O-N 3.25Å; E23-G26 WeakPolarHBondContact CA-O 3.2Å; E23-V28 HydrophobicContact CG-CB 4.11Å; E23-V28 HydrophobicContact CG-CG2 3.88Å
24Q92.4Very high92.5Very high144 Ų14463.2 Ų63.267%0.67331%0.311SS*.THydrogen-bonded Turntrans-68.3-24.5175.8-69.4172.969.100113.6S20 F22S20-Q24 PolarHBondContact O-NE2 3.47Å; F22-Q24 PolarHBondContact O-N 3.39Å; F22-Q24 VanDerWaalsContact O-N 3.16Å
25Y92.7Very high92.3Very high73 Ų7368.8 Ų68.829%0.28633%0.33SS..THydrogen-bonded Turntrans-98.9-30.8-178.7-61.7-83000112.1F22 E23 A47 D50 A51 N54 L55F22-Y25 PolarHBondContact O-N 2.83Å; E23-Y25 VanDerWaalsContact C-N 3.27Å; E23-Y25 PolarHBondContact O-N 3.25Å; Y25-A47 WeakPolarHBondContact O-CB 3.47Å; Y25-D50 HydrophobicContact CD1-CB 4.11Å; Y25-A51 HydrophobicContact CD2-CB 4.01Å; Y25-A51 HydrophobicContact CG-CB 3.87Å; Y25-N54 HydrophobicContact CE1-CB 3.59Å; Y25-N54 WeakPolarHBondContact CE1-ND2 3.5Å; Y25-N54 WeakPolarHBondContact OH-CB 3.12Å; Y25-L55 HydrophobicContact CD2-CD1 3.86Å; Y25-L55 HydrophobicContact CD2-CG 4.25Å; Y25-L55 HydrophobicContact CE2-CD1 3.59Å; Y25-L55 HydrophobicContact CE2-CD2 3.79Å; Y25-L55 HydrophobicContact CE2-CG 3.51Å
26G91.1Very high92.2Very high16 Ų1668.8 Ų68.817%0.16533%0.332CS..SBendtrans-177.8177.6177.400000113F22 E23 V28F22-G26 PolarHBondContact O-N 2.98Å; E23-G26 WeakPolarHBondContact CA-O 3.2Å; G26-V28 PolarHBondContact O-N 3.49Å
27K93.9Very high92.2Very high126 Ų12666.7 Ų66.755%0.54832%0.32SS..  trans-71.4114.8-177.2-177.7163.1156-128.70111.5E43K27-E43 HydrophobicContact CB-CB 4.46Å; K27-E43 VanDerWaalsContact CD-OE2 3.27Å; K27-E43 WeakPolarHBondContact CD-OE2 3.26Å; K27-E43 WeakPolarHBondContact CE-OE2 3.3Å; K27-E43 IonicContact NZ-OE1 3.56Å; K27-E43 IonicContact NZ-OE2 3.13Å; K27-E43 PolarHBondContact NZ-OE2 2.88Å; K27-E43 PolarHBondContact O-N 2.8Å; K27-E43 VanDerWaalsContact O-N 3.12Å
28V94.3Very high92.2Very high7 Ų763.2 Ų63.24%0.04230%0.304CS..EExtended strand (participates in β ladder)trans-82120.2174.4178.50000109.4R19 F22 E23 G26 C31 V40R19-V28 HydrophobicContact CG-CB 4.35Å; R19-V28 HydrophobicContact CG-CG1 4.17Å; F22-V28 HydrophobicContact CB-CG2 3.64Å; E23-V28 HydrophobicContact CG-CB 4.11Å; E23-V28 HydrophobicContact CG-CG2 3.88Å; G26-V28 PolarHBondContact O-N 3.49Å; V28-C31 HydrophobicContact CG1-CB 4.36Å; V28-V40 HydrophobicContact CG1-CG1 3.81Å; V28-V40 HydrophobicContact CG2-CG1 4Å
29L92.9Very high92.2Very high78 Ų7865.1 Ų65.141%0.40831%0.312SS..EExtended strand (participates in β ladder)trans-84.8-41.1177.4-62.8175.3000111.4M1 H41 E43M1-L29 HydrophobicContact CE-CD1 4.25Å; M1-L29 HydrophobicContact CG-CD1 4.17Å; M1-L29 HydrophobicContact SD-CD1 4.31Å; L29-H41 HydrophobicContact CB-CB 4.38Å; L29-H41 PolarHBondContact N-O 3.34Å; L29-E43 HydrophobicContact CD1-CB 4.23Å; L29-E43 HydrophobicContact CG-CB 4.32Å
30E91.1Very high92.2Very high88 Ų8860.8 Ų60.841%0.41130%0.296SS..EExtended strand (participates in β ladder)trans-152.6143.7-174.4-175.8179.8-143.900109.7V40 H41E30-V40 WeakPolarHBondContact O-CA 3.45Å; E30-H41 HydrophobicContact CB-CB 4.21Å; E30-H41 PolarHBondContact O-N 2.73Å; E30-H41 IonicContact OE2-CE1 2.85Å; E30-H41 PolarHBondContact OE2-CE1 3.34Å; E30-H41 IonicContact OE2-CG 2.97Å; E30-H41 IonicContact OE2-ND1 3.81Å; E30-H41 PolarHBondContact OE2-ND1 3.08Å
31C92.9Very high92.2Very high3 Ų358.8 Ų58.82%0.0228%0.279CS..EExtended strand (participates in β ladder)trans-139.5120.6177.8179.40000108.4E15 R19 V28 F39 V40E15-C31 HydrophobicContact CG-CB 3.91Å; E15-C31 WeakPolarHBondContact CG-O 3.49Å; E15-C31 VanDerWaalsContact CG-SG 3.58Å; E15-C31 VanDerWaalsContact OE1-O 3.09Å; R19-C31 HydrophobicContact CB-CB 4.37Å; V28-C31 HydrophobicContact CG1-CB 4.36Å; C31-F39 CarbonylContact C-O 3.39Å; C31-F39 WeakPolarHBondContact CA-O 3.28Å; C31-V40 HydrophobicContact CB-CG2 4.24Å
32D92.1Very high92.3Very high70 Ų7057.8 Ų57.837%0.37427%0.274SS..EExtended strand (participates in β ladder)trans-122.3131.8177.2-71.7-40.1000109.8G38 F39D32-G38 CarbonylContact O-C 3.38Å; D32-G38 WeakPolarHBondContact O-CA 3.43Å; D32-F39 PolarHBondContact N-O 3.06Å; D32-F39 PolarHBondContact O-N 2.86Å
33I92Very high92.3Very high52 Ų5261.5 Ų61.527%0.26729%0.292SS..EExtended strand (participates in β ladder)trans-110.3127.8171.6-59.6-174.8000109.6L9 T14 E15 I18L9-I33 HydrophobicContact CD1-CD1 4.31Å; L9-I33 HydrophobicContact CD1-CG1 4.29Å; L9-I33 HydrophobicContact CD1-CG2 4.17Å; T14-I33 VanDerWaalsContact C-CD1 3.47Å; E15-I33 HydrophobicContact CB-CD1 4.28Å; E15-I33 HydrophobicContact CB-CG1 4.48Å; I18-I33 HydrophobicContact CB-CD1 4.39Å; I18-I33 HydrophobicContact CG1-CD1 3.8Å
34I89.4Confident92.3Very high73 Ų7361.2 Ų61.237%0.37429%0.293SS..EExtended strand (participates in β ladder)trans-128.4102.4179.2-53.5174.2000108.7N36 Y37I34-N36 PolarHBondContact O-N 3.29Å; I34-Y37 CarbonylContact C-O 3.35Å; I34-Y37 HydrophobicContact CB-CD2 4.39Å; I34-Y37 HydrophobicContact CB-CE2 3.79Å; I34-Y37 HydrophobicContact CD1-CE2 4.33Å; I34-Y37 HydrophobicContact CG2-CE2 4.23Å; I34-Y37 PolarHBondContact N-O 3.09Å; I34-Y37 WeakPolarHBondContact O-CD1 3.27Å; I34-Y37 WeakPolarHBondContact O-CE1 3.06Å; I34-Y37 PolarHBondContact O-N 2.78Å
35K88.1Confident92.2Very high174 Ų17461 Ų6176%0.75729%0.29SS*.THydrogen-bonded Turntrans62.5-100.5179.6-55.3175178.5179.80112.6
36N90.3Very high92.3Very high76 Ų7662.1 Ų62.141%0.40630%0.304SS..THydrogen-bonded Turntrans-115.412.6-174.4-55.15.4000111.2N8 L9 I34N8-N36 PolarHBondContact N-O 3.35Å; L9-N36 PolarHBondContact N-O 3.29Å; I34-N36 PolarHBondContact O-N 3.29Å
37Y92.3Very high92.4Very high81 Ų8161.6 Ų61.632%0.31830%0.299SS..EExtended strand (participates in β ladder)trans-143.6163.1176.163.9-94.4000110.2F5 I6 I34 F39F5-Y37 AromaticContact CE2-CD2 3.8Å; F5-Y37 HydrophobicContact CE2-CD2 3.8Å; F5-Y37 AromaticContact CE2-CG 3.88Å; F5-Y37 HydrophobicContact CE2-CG 3.88Å; F5-Y37 HydrophobicContact CZ-CG 4.37Å; I6-Y37 CarbonylContact O-C 3.42Å; I6-Y37 WeakPolarHBondContact O-CA 3.45Å; I6-Y37 VanDerWaalsContact O-CB 3.27Å; I6-Y37 WeakPolarHBondContact O-CB 3.32Å; I34-Y37 CarbonylContact C-O 3.35Å; I34-Y37 HydrophobicContact CB-CD2 4.39Å; I34-Y37 HydrophobicContact CB-CE2 3.79Å; I34-Y37 HydrophobicContact CD1-CE2 4.33Å; I34-Y37 HydrophobicContact CG2-CE2 4.23Å; I34-Y37 PolarHBondContact N-O 3.09Å; I34-Y37 WeakPolarHBondContact O-CD1 3.27Å; I34-Y37 WeakPolarHBondContact O-CE1 3.06Å; I34-Y37 PolarHBondContact O-N 2.78Å; Y37-F39 HydrophobicContact CD2-CE2 4.04Å; Y37-F39 HydrophobicContact CD2-CZ 4.36Å; Y37-F39 AromaticContact CE2-CE2 3.74Å; Y37-F39 HydrophobicContact CE2-CE2 3.74Å; Y37-F39 HydrophobicContact CE2-CZ 4.22Å
38G92.1Very high92.4Very high1 Ų155.7 Ų55.71%0.0127%0.273CS..EExtended strand (participates in β ladder)trans-144.5169.8179.200000112.4I6 D32I6-G38 PolarHBondContact N-O 3.24Å; I6-G38 PolarHBondContact O-N 2.77Å; D32-G38 CarbonylContact O-C 3.38Å; D32-G38 WeakPolarHBondContact O-CA 3.43Å
39F93.3Very high92.4Very high40 Ų4059.6 Ų59.618%0.17529%0.291CS..EExtended strand (participates in β ladder)trans-129.4135.1175.1-64.4-74.2000110K3 L4 F5 C31 D32 Y37K3-F39 HydrophobicContact CD-CD1 4.23Å; K3-F39 HydrophobicContact CG-CD1 4.32Å; L4-F39 VanDerWaalsContact O-CA 3.28Å; L4-F39 WeakPolarHBondContact O-CA 3.22Å; F5-F39 HydrophobicContact CB-CD1 4.37Å; F5-F39 HydrophobicContact CB-CE1 4.23Å; F5-F39 HydrophobicContact CD2-CD1 4.11Å; F5-F39 AromaticContact CD2-CE1 3.53Å; F5-F39 HydrophobicContact CD2-CE1 3.53Å; F5-F39 AromaticContact CD2-CZ 3.97Å; F5-F39 HydrophobicContact CD2-CZ 3.97Å; F5-F39 HydrophobicContact CE2-CE1 4.42Å; F5-F39 HydrophobicContact CE2-CZ 4.44Å; F5-F39 HydrophobicContact CG-CE1 4.35Å; C31-F39 CarbonylContact C-O 3.39Å; C31-F39 WeakPolarHBondContact CA-O 3.28Å; D32-F39 PolarHBondContact N-O 3.06Å; D32-F39 PolarHBondContact O-N 2.86Å; Y37-F39 HydrophobicContact CD2-CE2 4.04Å; Y37-F39 HydrophobicContact CD2-CZ 4.36Å; Y37-F39 AromaticContact CE2-CE2 3.74Å; Y37-F39 HydrophobicContact CE2-CE2 3.74Å; Y37-F39 HydrophobicContact CE2-CZ 4.22Å
40V94.2Very high92.5Very high0 Ų058.6 Ų58.60%029%0.286CS..EExtended strand (participates in β ladder)trans-125.3130.4177.1173.30000108.9L4 I6 I18 F22 V28 E30 C31 I42L4-V40 PolarHBondContact N-O 3.06Å; L4-V40 PolarHBondContact O-N 3.13Å; I6-V40 HydrophobicContact CD1-CB 4.24Å; I6-V40 HydrophobicContact CD1-CG2 3.43Å; I6-V40 VanDerWaalsContact CD1-CG2 3.43Å; I18-V40 HydrophobicContact CG2-CG2 3.9Å; F22-V40 HydrophobicContact CB-CG1 4.01Å; F22-V40 HydrophobicContact CD1-CG1 4.19Å; F22-V40 HydrophobicContact CD2-CG2 4.13Å; F22-V40 HydrophobicContact CE2-CG2 4.44Å; F22-V40 HydrophobicContact CG-CB 4.47Å; F22-V40 HydrophobicContact CG-CG1 3.99Å; F22-V40 HydrophobicContact CG-CG2 4.36Å; V28-V40 HydrophobicContact CG1-CG1 3.81Å; V28-V40 HydrophobicContact CG2-CG1 4Å; E30-V40 WeakPolarHBondContact O-CA 3.45Å; C31-V40 HydrophobicContact CB-CG2 4.24Å; V40-I42 HydrophobicContact CG1-CG1 3.98Å
41H93.6Very high92.6Very high22 Ų2254.4 Ų54.410%0.10227%0.266CS..EExtended strand (participates in β ladder)trans-101.3118.1174.4-65.6109.2000110.1M1 K3 L29 E30M1-H41 HydrophobicContact CE-CB 3.46Å; M1-H41 VanDerWaalsContact CE-CB 3.46Å; M1-H41 VanDerWaalsContact CE-CG 3.46Å; K3-H41 WeakPolarHBondContact CD-NE2 3.43Å; K3-H41 WeakPolarHBondContact CG-NE2 3.02Å; L29-H41 HydrophobicContact CB-CB 4.38Å; L29-H41 PolarHBondContact N-O 3.34Å; E30-H41 HydrophobicContact CB-CB 4.21Å; E30-H41 PolarHBondContact O-N 2.73Å; E30-H41 IonicContact OE2-CE1 2.85Å; E30-H41 PolarHBondContact OE2-CE1 3.34Å; E30-H41 IonicContact OE2-CG 2.97Å; E30-H41 IonicContact OE2-ND1 3.81Å; E30-H41 PolarHBondContact OE2-ND1 3.08Å
42I93.1Very high92.7Very high0 Ų056 Ų560%027%0.274CS..EExtended strand (participates in β ladder)trans-106138.7177.1-59.5-175.6000108.8M1 V2 L4 F22 V40 D44 A47 A48 A51M1-I42 CarbonylContact C-O 3.58Å; M1-I42 WeakPolarHBondContact CA-O 3.2Å; V2-I42 PolarHBondContact N-O 3.46Å; V2-I42 PolarHBondContact O-N 2.89Å; L4-I42 HydrophobicContact CD1-CD1 3.55Å; L4-I42 HydrophobicContact CD1-CG1 4.3Å; L4-I42 HydrophobicContact CG-CD1 4.45Å; F22-I42 HydrophobicContact CD1-CD1 3.98Å; V40-I42 HydrophobicContact CG1-CG1 3.98Å; I42-D44 WeakPolarHBondContact CG2-O 3.25Å; I42-A47 HydrophobicContact CG2-CB 3.91Å; I42-A48 HydrophobicContact CB-CB 4.23Å; I42-A48 HydrophobicContact CD1-CB 4.28Å; I42-A48 HydrophobicContact CG2-CB 4.43Å; I42-A51 HydrophobicContact CD1-CB 4.1Å
43E93Very high92.8Very high78 Ų7861.1 Ų61.136%0.36429%0.288SS..SBendtrans-61.1-49.8178.9-170.2164.3-170.300111.1M1 K27 L29M1-E43 WeakPolarHBondContact CA-O 3.28Å; M1-E43 PolarHBondContact N-O 3.44Å; K27-E43 HydrophobicContact CB-CB 4.46Å; K27-E43 VanDerWaalsContact CD-OE2 3.27Å; K27-E43 WeakPolarHBondContact CD-OE2 3.26Å; K27-E43 WeakPolarHBondContact CE-OE2 3.3Å; K27-E43 IonicContact NZ-OE1 3.56Å; K27-E43 IonicContact NZ-OE2 3.13Å; K27-E43 PolarHBondContact NZ-OE2 2.88Å; K27-E43 PolarHBondContact O-N 2.8Å; K27-E43 VanDerWaalsContact O-N 3.12Å; L29-E43 HydrophobicContact CD1-CB 4.23Å; L29-E43 HydrophobicContact CG-CB 4.32Å
44D92.6Very high92.8Very high84 Ų8463.2 Ų63.245%0.44930%0.3SS..  trans-96139.5-174.2-63-43.9000114I42 A47 A48I42-D44 WeakPolarHBondContact CG2-O 3.25Å; D44-A47 HydrophobicContact CB-CB 3.87Å; D44-A48 WeakPolarHBondContact O-CB 3.5Å; D44-A48 PolarHBondContact O-N 3.24Å
45K91.9Very high93Very high139 Ų13959.9 Ų59.960%0.60428%0.283SS*.Hα-helixtrans-70.7-41177.8-179.4-179.3173.5-168.10112.4V2 A48 E49V2-K45 HydrophobicContact CG2-CB 3.82Å; V2-K45 HydrophobicContact CG2-CG 3.98Å; K45-A48 WeakPolarHBondContact O-CB 3.13Å; K45-A48 PolarHBondContact O-N 2.71Å; K45-E49 WeakPolarHBondContact CE-OE1 3.32Å; K45-E49 IonicContact NZ-OE1 2.75Å; K45-E49 WeakPolarHBondContact O-CG 3.46Å; K45-E49 PolarHBondContact O-N 2.78Å
46T93.8Very high93.2Very high96 Ų9655 Ų5559%0.58926%0.263SS*.Hα-helixtrans-64.3-47.1179.148.80000111.1A48 E49 D50T46-A48 VanDerWaalsContact C-N 3.25Å; T46-A48 PolarHBondContact O-N 2.76Å; T46-E49 PolarHBondContact O-N 2.89Å; T46-E49 VanDerWaalsContact O-N 3.15Å; T46-D50 PolarHBondContact O-N 2.84Å
47A94.2Very high93.3Very high6 Ų656.8 Ų56.85%0.0527%0.269CS..Hα-helixtrans-57.3-38.7173.600000112.5Y25 I42 D44 D50 A51Y25-A47 WeakPolarHBondContact O-CB 3.47Å; I42-A47 HydrophobicContact CG2-CB 3.91Å; D44-A47 HydrophobicContact CB-CB 3.87Å; A47-D50 PolarHBondContact O-N 3.43Å; A47-A51 VanDerWaalsContact O-CB 3.31Å; A47-A51 WeakPolarHBondContact O-CB 3.48Å; A47-A51 PolarHBondContact O-N 3.11Å
48A93.3Very high93.3Very high1 Ų157.9 Ų57.91%0.00827%0.273CS..Hα-helixtrans-66.8-40.9177.100000112.8V2 L4 I42 D44 K45 T46 A51 I52V2-A48 HydrophobicContact CB-CB 3.76Å; V2-A48 HydrophobicContact CG1-CB 3.92Å; V2-A48 HydrophobicContact CG2-CB 4.26Å; L4-A48 HydrophobicContact CD1-CB 4.28Å; L4-A48 HydrophobicContact CD2-CB 4.12Å; L4-A48 HydrophobicContact CG-CB 4.4Å; I42-A48 HydrophobicContact CB-CB 4.23Å; I42-A48 HydrophobicContact CD1-CB 4.28Å; I42-A48 HydrophobicContact CG2-CB 4.43Å; D44-A48 WeakPolarHBondContact O-CB 3.5Å; D44-A48 PolarHBondContact O-N 3.24Å; K45-A48 WeakPolarHBondContact O-CB 3.13Å; K45-A48 PolarHBondContact O-N 2.71Å; T46-A48 VanDerWaalsContact C-N 3.25Å; T46-A48 PolarHBondContact O-N 2.76Å; A48-A51 PolarHBondContact O-N 2.82Å; A48-I52 WeakPolarHBondContact O-CD1 3.4Å; A48-I52 VanDerWaalsContact O-CG1 3.24Å; A48-I52 WeakPolarHBondContact O-CG1 3.44Å; A48-I52 PolarHBondContact O-N 3.16Å
49E94.1Very high93.3Very high89 Ų8964.7 Ų64.742%0.41630%0.302SS..Hα-helixtrans-65.8-39.2174.6-71.1172.7-174.700111.7K45 T46 I52 R53K45-E49 WeakPolarHBondContact CE-OE1 3.32Å; K45-E49 IonicContact NZ-OE1 2.75Å; K45-E49 WeakPolarHBondContact O-CG 3.46Å; K45-E49 PolarHBondContact O-N 2.78Å; T46-E49 PolarHBondContact O-N 2.89Å; T46-E49 VanDerWaalsContact O-N 3.15Å; E49-I52 PolarHBondContact O-N 3.37Å; E49-R53 WeakPolarHBondContact O-CG 3.03Å; E49-R53 PolarHBondContact O-N 3.42Å
50D94.5Very high93.1Very high58 Ų5863.4 Ų63.431%0.3130%0.297SS..Hα-helixtrans-64.9-43.2174.3-68.2-18.2000111.8Y25 T46 A47 R53 N54Y25-D50 HydrophobicContact CD1-CB 4.11Å; T46-D50 PolarHBondContact O-N 2.84Å; A47-D50 PolarHBondContact O-N 3.43Å; D50-R53 PolarHBondContact O-N 3.25Å; D50-R53 IonicContact OD1-CZ 3.94Å; D50-R53 IonicContact OD1-NE 2.65Å; D50-R53 IonicContact OD1-NH2 3.13Å; D50-R53 PolarHBondContact OD1-NH2 2.81Å; D50-N54 PolarHBondContact O-N 2.93Å; D50-N54 VanDerWaalsContact O-N 3.09Å; D50-N54 PolarHBondContact O-ND2 3.14Å
51A94.3Very high92.9Very high0 Ų068.2 Ų68.20%032%0.319CS..Hα-helixtrans-61-45.5175.400000111.3L4 F22 Y25 I42 A47 A48 R53 N54 L55L4-A51 HydrophobicContact CD1-CB 4.12Å; F22-A51 HydrophobicContact CD1-CB 3.84Å; F22-A51 HydrophobicContact CE1-CB 4.01Å; Y25-A51 HydrophobicContact CD2-CB 4.01Å; Y25-A51 HydrophobicContact CG-CB 3.87Å; I42-A51 HydrophobicContact CD1-CB 4.1Å; A47-A51 VanDerWaalsContact O-CB 3.31Å; A47-A51 WeakPolarHBondContact O-CB 3.48Å; A47-A51 PolarHBondContact O-N 3.11Å; A48-A51 PolarHBondContact O-N 2.82Å; A51-R53 PolarHBondContact O-N 3.49Å; A51-N54 PolarHBondContact O-N 3.44Å; A51-L55 HydrophobicContact CB-CD1 4.34Å; A51-L55 WeakPolarHBondContact O-CA 3.17Å; A51-L55 WeakPolarHBondContact O-CB 3.5Å; A51-L55 PolarHBondContact O-N 3.49Å
52I94.2Very high92.7Very high37 Ų3769.6 Ų69.619%0.1934%0.34CS..Hα-helixtrans-58.5-51.2175.7-67.7159.5000110.1L4 A48 E49 N54 H56 V67 A69L4-I52 HydrophobicContact CD1-CG1 4.33Å; L4-I52 HydrophobicContact CD2-CD1 3.51Å; L4-I52 HydrophobicContact CD2-CG1 3.67Å; A48-I52 WeakPolarHBondContact O-CD1 3.4Å; A48-I52 VanDerWaalsContact O-CG1 3.24Å; A48-I52 WeakPolarHBondContact O-CG1 3.44Å; A48-I52 PolarHBondContact O-N 3.16Å; E49-I52 PolarHBondContact O-N 3.37Å; I52-N54 VanDerWaalsContact C-N 3.28Å; I52-N54 PolarHBondContact O-N 2.83Å; I52-H56 WeakPolarHBondContact O-CB 3.33Å; I52-H56 PolarHBondContact O-N 3.34Å; I52-V67 HydrophobicContact CB-CG1 4.47Å; I52-V67 HydrophobicContact CG1-CG1 4.04Å; I52-A69 HydrophobicContact CD1-CB 3.94Å
53R94.2Very high92.6Very high177 Ų17772 Ų7267%0.66835%0.354SS*.Hα-helixtrans-61.7-34.7-174.8-73.9-172.6-66.2162.9-6.5113.5E49 D50 A51E49-R53 WeakPolarHBondContact O-CG 3.03Å; E49-R53 PolarHBondContact O-N 3.42Å; D50-R53 PolarHBondContact O-N 3.25Å; D50-R53 IonicContact OD1-CZ 3.94Å; D50-R53 IonicContact OD1-NE 2.65Å; D50-R53 IonicContact OD1-NH2 3.13Å; D50-R53 PolarHBondContact OD1-NH2 2.81Å; A51-R53 PolarHBondContact O-N 3.49Å
54N92.9Very high92.6Very high95 Ų9572.1 Ų72.151%0.50836%0.357SS..Hα-helixtrans-97.6-30.3-174.9-66.4-71.7000114.1Y25 D50 A51 I52Y25-N54 HydrophobicContact CE1-CB 3.59Å; Y25-N54 WeakPolarHBondContact CE1-ND2 3.5Å; Y25-N54 WeakPolarHBondContact OH-CB 3.12Å; D50-N54 PolarHBondContact O-N 2.93Å; D50-N54 VanDerWaalsContact O-N 3.09Å; D50-N54 PolarHBondContact O-ND2 3.14Å; A51-N54 PolarHBondContact O-N 3.44Å; I52-N54 VanDerWaalsContact C-N 3.28Å; I52-N54 PolarHBondContact O-N 2.83Å
55L93.3Very high92.7Very high3 Ų368.1 Ų68.12%0.01634%0.336CS..Hα-helixtrans-94.3-12.7-178.7-63174.2000113.3F22 Y25 A51 H57 Y58 V67F22-L55 HydrophobicContact CD1-CD1 3.71Å; F22-L55 HydrophobicContact CD2-CD1 3.95Å; F22-L55 HydrophobicContact CE1-CD1 3.64Å; F22-L55 HydrophobicContact CE2-CD1 3.82Å; F22-L55 HydrophobicContact CG-CD1 3.9Å; F22-L55 HydrophobicContact CZ-CD1 3.69Å; Y25-L55 HydrophobicContact CD2-CD1 3.86Å; Y25-L55 HydrophobicContact CD2-CG 4.25Å; Y25-L55 HydrophobicContact CE2-CD1 3.59Å; Y25-L55 HydrophobicContact CE2-CD2 3.79Å; Y25-L55 HydrophobicContact CE2-CG 3.51Å; A51-L55 HydrophobicContact CB-CD1 4.34Å; A51-L55 WeakPolarHBondContact O-CA 3.17Å; A51-L55 WeakPolarHBondContact O-CB 3.5Å; A51-L55 PolarHBondContact O-N 3.49Å; L55-H57 PolarHBondContact O-N 3.09Å; L55-Y58 HydrophobicContact CD2-CD2 4.34Å; L55-Y58 HydrophobicContact CD2-CG 4.27Å; L55-Y58 WeakPolarHBondContact O-CB 3.42Å; L55-Y58 PolarHBondContact O-N 2.81Å; L55-V67 HydrophobicContact CB-CB 4.5Å; L55-V67 HydrophobicContact CB-CG2 3.82Å; L55-V67 WeakPolarHBondContact O-CG2 3.28Å
56H92.2Very high92.7Very high72 Ų7263.3 Ų63.333%0.33332%0.317SS..THydrogen-bonded Turntrans-62123171.8-172.386.6000110.1I52 Y58 N66 V67I52-H56 WeakPolarHBondContact O-CB 3.33Å; I52-H56 PolarHBondContact O-N 3.34Å; H56-Y58 VanDerWaalsContact C-N 3.31Å; H56-N66 PolarHBondContact CE1-OD1 3.43Å; H56-N66 PolarHBondContact ND1-OD1 3.13Å; H56-V67 HydrophobicContact CB-CB 4.45Å; H56-V67 PolarHBondContact ND1-O 3.36Å
57H91.8Very high92.8Very high114 Ų11458.7 Ų58.753%0.52829%0.289SS..THydrogen-bonded Turntrans6817.1-170.4-59.4-55000116.6L55 K59 N64 I65L55-H57 PolarHBondContact O-N 3.09Å; H57-K59 PolarHBondContact O-N 2.86Å; H57-N64 PolarHBondContact O-ND2 2.85Å; H57-I65 WeakPolarHBondContact CA-O 3.31Å; H57-I65 PolarHBondContact N-O 3.11Å
58Y92.2Very high92.7Very high104 Ų10462 Ų6241%0.40830%0.303SS..  trans-60.6135.5172.7-175.1-96000111.5L21 L55 H56 L60 N64 I65L21-Y58 HydrophobicContact CD1-CD1 4.39Å; L21-Y58 HydrophobicContact CD1-CE1 4.13Å; L21-Y58 HydrophobicContact CD2-CE1 3.88Å; L55-Y58 HydrophobicContact CD2-CD2 4.34Å; L55-Y58 HydrophobicContact CD2-CG 4.27Å; L55-Y58 WeakPolarHBondContact O-CB 3.42Å; L55-Y58 PolarHBondContact O-N 2.81Å; H56-Y58 VanDerWaalsContact C-N 3.31Å; Y58-L60 HydrophobicContact CD1-CB 4.4Å; Y58-L60 HydrophobicContact CE1-CD1 4.34Å; Y58-L60 PolarHBondContact O-N 3Å; Y58-N64 WeakPolarHBondContact O-CA 3.14Å; Y58-I65 HydrophobicContact CD1-CD1 4.43Å; Y58-I65 WeakPolarHBondContact O-CG1 3.37Å; Y58-I65 PolarHBondContact O-N 3.07Å
59K92.2Very high92.6Very high144 Ų14464.5 Ų64.563%0.62632%0.324SS*.EExtended strand (participates in β ladder)trans-87.4102.1-176.1-171.4176.3179.91790110.1H57 V63H57-K59 PolarHBondContact O-N 2.86Å; K59-V63 CarbonylContact C-O 3.58Å; K59-V63 WeakPolarHBondContact CA-O 3.46Å
60L90Very high92.2Very high12 Ų1261.1 Ų61.16%0.06331%0.31CS..EExtended strand (participates in β ladder)trans-110.5124.6177.1-164.4115.3000109.7P10 A13 I18 L21 Y58 G62 V63 I65P10-L60 HydrophobicContact CG-CD2 3.65Å; A13-L60 HydrophobicContact CB-CD2 3.47Å; A13-L60 VanDerWaalsContact CB-CD2 3.47Å; I18-L60 HydrophobicContact CD1-CD1 4.16Å; I18-L60 HydrophobicContact CD1-CD2 4.21Å; L21-L60 HydrophobicContact CD1-CD1 3.26Å; Y58-L60 HydrophobicContact CD1-CB 4.4Å; Y58-L60 HydrophobicContact CE1-CD1 4.34Å; Y58-L60 PolarHBondContact O-N 3Å; L60-G62 PolarHBondContact O-N 2.84Å; L60-V63 PolarHBondContact N-O 2.91Å; L60-V63 PolarHBondContact O-N 3.09Å; L60-V63 VanDerWaalsContact O-O 3.05Å; L60-I65 HydrophobicContact CB-CG2 3.83Å
61H89.5Confident91.2Very high101 Ų10166.6 Ų66.647%0.46833%0.331SS..THydrogen-bonded Turntrans48.834.6-176.7-58.3-59.6000114.5P10 E17 V63P10-H61 HydrophobicContact CB-CB 4.26Å; P10-H61 HydrophobicContact CG-CB 3.92Å; E17-H61 IonicContact OE1-CE1 3.69Å; E17-H61 IonicContact OE1-NE2 3.5Å; E17-H61 PolarHBondContact OE1-NE2 3.05Å; E17-H61 IonicContact OE2-CD2 3.74Å; E17-H61 IonicContact OE2-CE1 3.7Å; E17-H61 IonicContact OE2-NE2 2.77Å; E17-H61 PolarHBondContact OE2-NE2 3.27Å; H61-V63 VanDerWaalsContact C-N 3.31Å; H61-V63 PolarHBondContact O-N 3.47Å
62G88.7Confident89.7Confident52 Ų5271.5 Ų71.554%0.53636%0.357SS..THydrogen-bonded Turntrans85.7-6.3-179.100000115.4L60L60-G62 PolarHBondContact O-N 2.84Å
63V91.3Very high87.9Confident50 Ų5078.6 Ų78.630%0.30339%0.387SS..EExtended strand (participates in β ladder)trans-108.9139.4-179.3-177.30000110.3N8 P10 K59 L60 H61N8-V63 WeakPolarHBondContact ND2-CG1 3.33Å; N8-V63 WeakPolarHBondContact O-CG1 3.36Å; P10-V63 HydrophobicContact CB-CB 4.36Å; P10-V63 HydrophobicContact CB-CG2 4.12Å; K59-V63 CarbonylContact C-O 3.58Å; K59-V63 WeakPolarHBondContact CA-O 3.46Å; L60-V63 PolarHBondContact N-O 2.91Å; L60-V63 PolarHBondContact O-N 3.09Å; L60-V63 VanDerWaalsContact O-O 3.05Å; H61-V63 VanDerWaalsContact C-N 3.31Å; H61-V63 PolarHBondContact O-N 3.47Å
64N93.5Very high86Confident80 Ų8071.3 Ų71.343%0.42836%0.363SS..EExtended strand (participates in β ladder)trans-81.8118.8174.4-62.488.8000110.3N8 H57 Y58N8-N64 PolarHBondContact ND2-O 3.29Å; H57-N64 PolarHBondContact O-ND2 2.85Å; Y58-N64 WeakPolarHBondContact O-CA 3.14Å
65I94.1Very high84.3Confident0 Ų076 Ų760%038%0.379CS..  trans-78.8147.4176.970.8178.3000110.4I6 L9 H57 Y58 L60 V67I6-I65 HydrophobicContact CG2-CB 4.27Å; I6-I65 HydrophobicContact CG2-CD1 4.32Å; L9-I65 HydrophobicContact CD2-CB 4.43Å; L9-I65 HydrophobicContact CD2-CG2 3.83Å; H57-I65 WeakPolarHBondContact CA-O 3.31Å; H57-I65 PolarHBondContact N-O 3.11Å; Y58-I65 HydrophobicContact CD1-CD1 4.43Å; Y58-I65 WeakPolarHBondContact O-CG1 3.37Å; Y58-I65 PolarHBondContact O-N 3.07Å; L60-I65 HydrophobicContact CB-CG2 3.83Å; I65-V67 HydrophobicContact CD1-CG2 3.99Å; I65-V67 HydrophobicContact CG1-CG2 4.1Å
66N93.2Very high83.1Confident38 Ų3881.1 Ų81.120%0.20341%0.411CS..EExtended strand (participates in β ladder)trans-103.5113.4174.7-17927.3000109.4I6 G7 H56 E68I6-N66 CarbonylContact C-O 3.35Å; I6-N66 VanDerWaalsContact CA-O 3.24Å; I6-N66 WeakPolarHBondContact CA-O 3.35Å; G7-N66 PolarHBondContact N-O 3.17Å; G7-N66 PolarHBondContact O-N 2.85Å; H56-N66 PolarHBondContact CE1-OD1 3.43Å; H56-N66 PolarHBondContact ND1-OD1 3.13Å; N66-E68 PolarHBondContact ND2-OE1 3.16Å; N66-E68 PolarHBondContact OD1-OE1 2.84Å
67V94.5Very high82.5Confident0 Ų078.1 Ų78.10%040%0.398CS..EExtended strand (participates in β ladder)trans-106.6123.6177-173.80000109L4 F5 I6 F22 I52 L55 H56 I65L4-V67 HydrophobicContact CD1-CG1 4.5Å; F5-V67 WeakPolarHBondContact O-CA 3.23Å; I6-V67 HydrophobicContact CG2-CG2 4.36Å; F22-V67 HydrophobicContact CE1-CG1 3.81Å; F22-V67 HydrophobicContact CZ-CB 4.48Å; F22-V67 HydrophobicContact CZ-CG1 3.73Å; F22-V67 HydrophobicContact CZ-CG2 3.83Å; I52-V67 HydrophobicContact CB-CG1 4.47Å; I52-V67 HydrophobicContact CG1-CG1 4.04Å; L55-V67 HydrophobicContact CB-CB 4.5Å; L55-V67 HydrophobicContact CB-CG2 3.82Å; L55-V67 WeakPolarHBondContact O-CG2 3.28Å; H56-V67 HydrophobicContact CB-CB 4.45Å; H56-V67 PolarHBondContact ND1-O 3.36Å; I65-V67 HydrophobicContact CD1-CG2 3.99Å; I65-V67 HydrophobicContact CG1-CG2 4.1Å
68E93.1Very high82.3Confident75 Ų7573.9 Ų73.935%0.3538%0.38SS..EExtended strand (participates in β ladder)trans-136.1156.8178.2-68.9-178.9-15900110.4L4 F5 N66 S70L4-E68 WeakPolarHBondContact CA-O 3.04Å; F5-E68 PolarHBondContact N-O 2.85Å; F5-E68 PolarHBondContact O-N 2.87Å; N66-E68 PolarHBondContact ND2-OE1 3.16Å; N66-E68 PolarHBondContact OD1-OE1 2.84Å; E68-S70 PolarHBondContact O-N 2.88Å
69A91Very high82.2Confident54 Ų5469.8 Ų69.845%0.44636%0.364SS..EExtended strand (participates in β ladder)trans-59.5123.9164.300000108.2I52 K71I52-A69 HydrophobicContact CD1-CB 3.94Å; A69-K71 PolarHBondContact O-N 2.93Å
70S85.1Confident82.2Confident18 Ų1862.9 Ų62.913%0.12633%0.334CS..  trans-62.4109.5179.2172.30000108K3 E68 N72K3-S70 WeakPolarHBondContact O-CB 3.34Å; K3-S70 PolarHBondContact O-N 3.47Å; E68-S70 PolarHBondContact O-N 2.88Å; S70-N72 VanDerWaalsContact C-N 3.33Å; S70-N72 PolarHBondContact O-N 3.33Å; S70-N72 PolarHBondContact O-OD1 2.65Å
71K74.2Confident82.4Confident172 Ų17265 Ų6575%0.74834%0.343SS*.  trans-67.9102162.9-64.6176.1-173.9171.40105.1A69 K73A69-K71 PolarHBondContact O-N 2.93Å; K71-K73 PolarHBondContact O-N 2.84Å
72N62.5Low82.6Confident104 Ų10460.1 Ų60.156%0.55632%0.321SS*.  trans-60.285.1166.5-69.950.7000106.5S70 S74S70-N72 VanDerWaalsContact C-N 3.33Å; S70-N72 PolarHBondContact O-N 3.33Å; S70-N72 PolarHBondContact O-OD1 2.65Å; N72-S74 PolarHBondContact O-N 3.49Å
73K56.7Low82.9Confident186 Ų18658.1 Ų58.181%0.80930%0.3SS*.  trans-62.889.6149.2-71-177.8-179.6-170.10102.3K71 K75K71-K73 PolarHBondContact O-N 2.84Å; K73-K75 PolarHBondContact O-N 3.01Å
74S54.2Low82.9Confident24 Ų2459.4 Ų59.417%0.16831%0.305CS..  trans-56.89217446.30000105N72 T76 S77 E119N72-S74 PolarHBondContact O-N 3.49Å; S74-T76 PolarHBondContact O-N 3.44Å; S74-S77 PolarHBondContact O-N 2.9Å; S74-E119 PolarHBondContact OG-O 2.81Å
75K57.8Low82.7Confident192 Ų19255.8 Ų55.884%0.83529%0.286SS*.THydrogen-bonded Turntrans-56.4-13.1168.1-74.7-177.5177.5-178.70110K73K73-K75 PolarHBondContact O-N 3.01Å
76T67.3Low82.5Confident112 Ų11256.3 Ų56.369%0.68729%0.289SS*.THydrogen-bonded Turntrans-100.829172.662.10000113.2S74 T78S74-T76 PolarHBondContact O-N 3.44Å; T76-T78 PolarHBondContact O-N 2.82Å
77S79.8Confident82.2Confident9 Ų959.6 Ų59.66%0.06331%0.313CS..  trans-52.7134.3167.661.20000108.7S74 K79 M118 P154S74-S77 PolarHBondContact O-N 2.9Å; S77-K79 PolarHBondContact O-N 2.96Å; S77-M118 CarbonylContact C-O 3.57Å; S77-M118 WeakPolarHBondContact CA-O 3.5Å; S77-M118 WeakPolarHBondContact CB-O 3.47Å; S77-P154 VanDerWaalsContact OG-CD 3.24Å; S77-P154 WeakPolarHBondContact OG-CD 3.44Å
78T87.2Confident82Confident24 Ų2464.1 Ų64.115%0.14734%0.34CS..EExtended strand (participates in β ladder)trans-88.9112.3-177.9-61.70000108.8T76 L80 M118 A121 A124 L145T76-T78 PolarHBondContact O-N 2.82Å; T78-L80 HydrophobicContact CG2-CD2 4.31Å; T78-M118 PolarHBondContact N-O 3.2Å; T78-M118 PolarHBondContact O-N 3.41Å; T78-A121 VanDerWaalsContact OG1-CA 3.3Å; T78-A121 WeakPolarHBondContact OG1-CA 3.45Å; T78-A121 WeakPolarHBondContact OG1-CB 3.24Å; T78-A124 HydrophobicContact CG2-CB 3.52Å; T78-L145 HydrophobicContact CG2-CD2 3.52Å
79K90.4Very high81.7Confident18 Ų1861 Ų618%0.07833%0.327CS..EExtended strand (participates in β ladder)trans-80.2125.5175.9-170.4179.9-176.6158.90109.8S77 F115 V116 H117 S146 L150 R151S77-K79 PolarHBondContact O-N 2.96Å; K79-F115 HydrophobicContact CD-CD1 4.33Å; K79-F115 VanDerWaalsContact CE-CG 3.47Å; K79-F115 HydrophobicContact CG-CD1 4.4Å; K79-V116 CarbonylContact C-O 3.58Å; K79-V116 WeakPolarHBondContact CA-O 3.37Å; K79-H117 WeakPolarHBondContact CD-NE2 3.31Å; K79-S146 WeakPolarHBondContact O-CB 3.4Å; K79-S146 PolarHBondContact O-N 3.11Å; K79-L150 PolarHBondContact NZ-O 3.42Å; K79-R151 PolarHBondContact NZ-O 2.95Å
80L93.1Very high81.8Confident0 Ų061.7 Ų61.70%033%0.325CS..EExtended strand (participates in β ladder)trans-102.8143.9173.1-59.2-177.8000109.8T78 F98 F115 V116 M118 A124 A127 I128 V143 Q144 L145T78-L80 HydrophobicContact CG2-CD2 4.31Å; L80-F98 HydrophobicContact CD1-CD1 4.05Å; L80-F98 HydrophobicContact CD1-CE1 3.72Å; L80-F115 VanDerWaalsContact O-CA 3.3Å; L80-F115 WeakPolarHBondContact O-CA 3.3Å; L80-V116 HydrophobicContact CB-CB 4.33Å; L80-V116 PolarHBondContact N-O 3.49Å; L80-V116 PolarHBondContact O-N 3.11Å; L80-M118 HydrophobicContact CD1-CG 3.77Å; L80-M118 HydrophobicContact CG-CG 4.25Å; L80-A124 HydrophobicContact CD1-CB 4.3Å; L80-A124 HydrophobicContact CD2-CB 4.09Å; L80-A124 HydrophobicContact CG-CB 4.36Å; L80-A127 HydrophobicContact CD1-CB 4.25Å; L80-I128 HydrophobicContact CD2-CD1 3.52Å; L80-I128 HydrophobicContact CD2-CG1 3.73Å; L80-V143 HydrophobicContact CD1-CG1 4.38Å; L80-Q144 CarbonylContact C-O 3.47Å; L80-Q144 WeakPolarHBondContact CA-O 3.33Å; L80-L145 HydrophobicContact CD2-CD2 4.07Å
81H94Very high82Confident55 Ų5564.4 Ų64.426%0.25534%0.339SS..EExtended strand (participates in β ladder)trans-106.2124.9167.3172.7-86.2000108.4Y113 F115 Q144H81-Y113 AromaticContact NE2-CG 3.99Å; H81-F115 HydrophobicContact CB-CD1 4.35Å; H81-F115 HydrophobicContact CB-CE1 4.16Å; H81-F115 AromaticContact CD2-CE1 3.63Å; H81-Q144 PolarHBondContact N-O 2.84Å; H81-Q144 PolarHBondContact O-N 2.86Å
82V93.8Very high82.9Confident0 Ų064.6 Ų64.60%034%0.34CS..EExtended strand (participates in β ladder)trans-114.1109.3179.6-174.30000107.6I85 L94 F98 Y113 A114 V116 M141 H142 V143V82-I85 HydrophobicContact CB-CD1 3.91Å; V82-I85 HydrophobicContact CB-CG1 4.45Å; V82-I85 HydrophobicContact CG1-CD1 3.65Å; V82-I85 HydrophobicContact CG1-CG1 3.78Å; V82-I85 WeakPolarHBondContact O-CD1 3.36Å; V82-L94 HydrophobicContact CG1-CD1 4.46Å; V82-F98 HydrophobicContact CG2-CE1 4.32Å; V82-F98 HydrophobicContact CG2-CE2 3.8Å; V82-F98 HydrophobicContact CG2-CZ 3.38Å; V82-Y113 CarbonylContact O-C 3.56Å; V82-Y113 WeakPolarHBondContact O-CA 3.26Å; V82-Y113 VanDerWaalsContact O-CB 3.31Å; V82-Y113 WeakPolarHBondContact O-CB 3.1Å; V82-A114 HydrophobicContact CB-CB 4.27Å; V82-A114 PolarHBondContact N-O 3.27Å; V82-A114 PolarHBondContact O-N 3.47Å; V82-V116 HydrophobicContact CG2-CG2 4.02Å; V82-M141 HydrophobicContact CG1-CB 4.26Å; V82-M141 HydrophobicContact CG1-SD 4.19Å; V82-H142 CarbonylContact C-O 3.54Å; V82-H142 WeakPolarHBondContact CA-O 3.19Å; V82-V143 HydrophobicContact CG1-CG2 4.22Å; V82-V143 HydrophobicContact CG2-CG1 4.39Å; V82-V143 HydrophobicContact CG2-CG2 4.45Å
83G93.1Very high84.3Confident9 Ų963.5 Ų63.59%0.09333%0.331CS..EExtended strand (participates in β ladder)trans-97.3166.3178.600000112.9I85 M141 H142G83-I85 VanDerWaalsContact C-N 3.32Å; G83-I85 PolarHBondContact O-N 3.07Å; G83-M141 WeakPolarHBondContact O-CA 3.24Å; G83-H142 PolarHBondContact N-O 2.86Å; G83-H142 PolarHBondContact O-N 3.43Å
84N92.2Very high86Confident78 Ų7854.6 Ų54.642%0.41729%0.292SS..SBendtrans57.241.7175.3-165.241.1000114D112 R140N84-D112 PolarHBondContact N-O 2.85Å; N84-D112 VanDerWaalsContact N-O 3.14Å; N84-R140 WeakPolarHBondContact CB-O 3.11Å; N84-R140 PolarHBondContact ND2-O 2.94Å
85I90.4Very high87.9Confident4 Ų458.6 Ų58.62%0.02130%0.304CS..  trans-76.8145.1177.6-53.5-179.9000108.9V82 G83 C89 L94 D112 A114 K139V82-I85 HydrophobicContact CB-CD1 3.91Å; V82-I85 HydrophobicContact CB-CG1 4.45Å; V82-I85 HydrophobicContact CG1-CD1 3.65Å; V82-I85 HydrophobicContact CG1-CG1 3.78Å; V82-I85 WeakPolarHBondContact O-CD1 3.36Å; G83-I85 VanDerWaalsContact C-N 3.32Å; G83-I85 PolarHBondContact O-N 3.07Å; I85-C89 HydrophobicContact CG2-CB 3.44Å; I85-C89 VanDerWaalsContact CG2-CB 3.44Å; I85-L94 HydrophobicContact CD1-CD2 3.77Å; I85-D112 PolarHBondContact N-O 3.34Å; I85-A114 HydrophobicContact CD1-CB 3.24Å; I85-K139 PolarHBondContact O-NZ 3.41Å
86S89.6Confident89.6Confident11 Ų1151.7 Ų51.78%0.07728%0.283CS..  trans-64.7136.8171.6-1730000110.2T88 C89S86-T88 WeakPolarHBondContact CB-OG1 3.42Å; S86-T88 PolarHBondContact O-N 2.97Å; S86-T88 VanDerWaalsContact O-N 3.09Å; S86-T88 PolarHBondContact OG-N 3.19Å; S86-T88 PolarHBondContact OG-OG1 2.86Å; S86-C89 WeakPolarHBondContact O-CB 3.42Å; S86-C89 PolarHBondContact O-N 2.68Å
87P86.9Confident90.8Very high106 Ų10649.7 Ų49.769%0.68826%0.264SS*.THydrogen-bonded Turntrans-62.4-14.9173.327.8-36.4000113C89P87-C89 VanDerWaalsContact C-N 3.32Å
88T89.2Confident91.5Very high95 Ų9549.2 Ų49.258%0.58326%0.261SS*.THydrogen-bonded Turntrans-81.3-11.117458.20000113.4S86 T90 Q137S86-T88 WeakPolarHBondContact CB-OG1 3.42Å; S86-T88 PolarHBondContact O-N 2.97Å; S86-T88 VanDerWaalsContact O-N 3.09Å; S86-T88 PolarHBondContact OG-N 3.19Å; S86-T88 PolarHBondContact OG-OG1 2.86Å; T88-T90 PolarHBondContact O-N 2.77Å; T88-Q137 VanDerWaalsContact C-OE1 3.24Å; T88-Q137 PolarHBondContact OG1-OE1 3.23Å
89C88Confident91.8Very high11 Ų1152.4 Ų52.47%0.07428%0.275CS..  trans-75125.7-174.2177.70000110.5I85 S86 P87 I109 F136I85-C89 HydrophobicContact CG2-CB 3.44Å; I85-C89 VanDerWaalsContact CG2-CB 3.44Å; S86-C89 WeakPolarHBondContact O-CB 3.42Å; S86-C89 PolarHBondContact O-N 2.68Å; P87-C89 VanDerWaalsContact C-N 3.32Å; C89-I109 WeakPolarHBondContact O-CD1 3.09Å; C89-F136 HydrophobicContact CB-CE1 4.32Å; C89-F136 VanDerWaalsContact SG-CE1 3.54Å
90T91.8Very high91.9Very high67 Ų6757.5 Ų57.541%0.41130%0.299SS..  trans-90.2151.6175.465.80000111.5T88 K92 E93 L94 I109T88-T90 PolarHBondContact O-N 2.77Å; T90-K92 PolarHBondContact O-N 3.04Å; T90-K92 VanDerWaalsContact O-N 3.09Å; T90-E93 PolarHBondContact N-OE2 3.22Å; T90-E93 PolarHBondContact O-N 3.25Å; T90-E93 VanDerWaalsContact O-N 3.11Å; T90-E93 WeakPolarHBondContact OG1-CG 3.49Å; T90-E93 PolarHBondContact OG1-N 2.8Å; T90-E93 PolarHBondContact OG1-OE2 3.33Å; T90-L94 PolarHBondContact O-N 2.67Å; T90-L94 VanDerWaalsContact O-N 3.11Å; T90-I109 VanDerWaalsContact C-CD1 3.49Å
91N90.8Very high92Very high75 Ų7560.8 Ų60.840%0.40131%0.312SS..Hα-helixtrans-54.1-33.2177.1-68.1-73.6000112.2R95 I109N91-R95 WeakPolarHBondContact O-CB 3.46Å; N91-R95 PolarHBondContact O-N 2.97Å; N91-I109 HydrophobicContact CB-CD1 4.38Å; N91-I109 WeakPolarHBondContact OD1-CB 3.48Å; N91-I109 WeakPolarHBondContact OD1-CG1 3.08Å; N91-I109 PolarHBondContact OD1-N 3.39Å
92K91.9Very high91.8Very high177 Ų17758.7 Ų58.777%0.7730%0.304SS*.Hα-helixtrans-68.7-44.9179.3-67.3-174.4178.8-177.50112.4T90 R95 A96T90-K92 PolarHBondContact O-N 3.04Å; T90-K92 VanDerWaalsContact O-N 3.09Å; K92-R95 PolarHBondContact O-N 2.83Å; K92-A96 WeakPolarHBondContact O-CB 3.43Å; K92-A96 PolarHBondContact O-N 3.29Å
93E92.6Very high91.7Very high80 Ų8061.4 Ų61.437%0.37432%0.322SS..Hα-helixtrans-66.9-44.6179.8-68.7164.4150.200111.3T90 A96 K97 F136 Q137T90-E93 PolarHBondContact N-OE2 3.22Å; T90-E93 PolarHBondContact O-N 3.25Å; T90-E93 VanDerWaalsContact O-N 3.11Å; T90-E93 WeakPolarHBondContact OG1-CG 3.49Å; T90-E93 PolarHBondContact OG1-N 2.8Å; T90-E93 PolarHBondContact OG1-OE2 3.33Å; E93-A96 PolarHBondContact O-N 3.46Å; E93-K97 PolarHBondContact O-N 3.15Å; E93-F136 HydrophobicContact CB-CZ 4.14Å; E93-Q137 PolarHBondContact OE2-NE2 3.4Å
94L92.4Very high91.6Very high0 Ų061.5 Ų61.50%032%0.321CS..Hα-helixtrans-61.9-47.3176.5-168.466.7000110.4V82 I85 T90 A96 K97 F98 I109 A114 M141V82-L94 HydrophobicContact CG1-CD1 4.46Å; I85-L94 HydrophobicContact CD1-CD2 3.77Å; T90-L94 PolarHBondContact O-N 2.67Å; T90-L94 VanDerWaalsContact O-N 3.11Å; L94-A96 VanDerWaalsContact C-N 3.34Å; L94-A96 PolarHBondContact O-N 3.26Å; L94-K97 WeakPolarHBondContact O-CB 3.44Å; L94-K97 PolarHBondContact O-N 3.04Å; L94-K97 VanDerWaalsContact O-N 3.13Å; L94-F98 HydrophobicContact CD1-CD2 4.37Å; L94-F98 HydrophobicContact CD1-CE2 3.85Å; L94-F98 HydrophobicContact CG-CD2 4.14Å; L94-F98 HydrophobicContact CG-CE2 3.96Å; L94-F98 VanDerWaalsContact O-CD2 3.31Å; L94-F98 WeakPolarHBondContact O-CD2 3.12Å; L94-F98 PolarHBondContact O-N 2.85Å; L94-I109 HydrophobicContact CB-CD1 4.3Å; L94-I109 HydrophobicContact CD2-CD1 4.14Å; L94-I109 HydrophobicContact CD2-CG1 3.87Å; L94-A114 HydrophobicContact CD2-CB 3.47Å; L94-A114 VanDerWaalsContact CD2-CB 3.47Å; L94-M141 HydrophobicContact CD1-CE 4.41Å
95R93.2Very high91.5Very high107 Ų10761.2 Ų61.240%0.40432%0.319SS..Hα-helixtrans-57.4-46.2177.5176.2177.1168159.75.3112N91 K92 K97 F98 E99 V104 C107N91-R95 WeakPolarHBondContact O-CB 3.46Å; N91-R95 PolarHBondContact O-N 2.97Å; K92-R95 PolarHBondContact O-N 2.83Å; R95-K97 PolarHBondContact O-N 3.12Å; R95-F98 PolarHBondContact O-N 2.76Å; R95-E99 HydrophobicContact CG-CG 4.23Å; R95-E99 IonicContact CZ-OE1 2.6Å; R95-E99 IonicContact NE-OE1 3.63Å; R95-E99 PolarHBondContact NE-OE1 2.94Å; R95-E99 IonicContact NH2-OE1 3.95Å; R95-E99 PolarHBondContact NH2-OE1 3.13Å; R95-E99 WeakPolarHBondContact O-CG 3.43Å; R95-E99 PolarHBondContact O-N 3.5Å; R95-V104 HydrophobicContact CG-CB 4.25Å; R95-V104 HydrophobicContact CG-CG1 4.2Å; R95-C107 HydrophobicContact CB-CB 4.11Å
96A93.7Very high91.3Very high48 Ų4862.5 Ų62.540%0.39733%0.325SS..Hα-helixtrans-57.9-36.1178.400000112.1K92 E93 L94 E99 E100K92-A96 WeakPolarHBondContact O-CB 3.43Å; K92-A96 PolarHBondContact O-N 3.29Å; E93-A96 PolarHBondContact O-N 3.46Å; L94-A96 VanDerWaalsContact C-N 3.34Å; L94-A96 PolarHBondContact O-N 3.26Å; A96-E99 PolarHBondContact O-N 3.4Å; A96-E100 PolarHBondContact O-N 2.6Å
97K92.3Very high91.4Very high69 Ų6962.8 Ų62.830%0.333%0.327SS..Hα-helixtrans-66.1-39.3174.9-78-75.8158.4-149.30113.6E93 L94 R95 E100 F136E93-K97 PolarHBondContact O-N 3.15Å; L94-K97 WeakPolarHBondContact O-CB 3.44Å; L94-K97 PolarHBondContact O-N 3.04Å; L94-K97 VanDerWaalsContact O-N 3.13Å; R95-K97 PolarHBondContact O-N 3.12Å; K97-E100 IonicContact NZ-OE1 2.97Å; K97-E100 PolarHBondContact NZ-OE1 2.83Å; K97-E100 IonicContact NZ-OE2 3.48Å; K97-F136 HydrophobicContact CD-CD2 4.39Å; K97-F136 HydrophobicContact CD-CE2 4.05Å; K97-F136 HydrophobicContact CG-CD2 4.15Å; K97-F136 HydrophobicContact CG-CE2 3.52Å; K97-F136 HydrophobicContact CG-CZ 4.12Å
98F93.9Very high91.5Very high0 Ų059.6 Ų59.60%030%0.303CS..Hα-helixtrans-74.9-29.7176.1-78.5-85.6000112.4L80 V82 L94 R95 E100 Y101 G102 V104 V116 M118 A127 L131 V143L80-F98 HydrophobicContact CD1-CD1 4.05Å; L80-F98 HydrophobicContact CD1-CE1 3.72Å; V82-F98 HydrophobicContact CG2-CE1 4.32Å; V82-F98 HydrophobicContact CG2-CE2 3.8Å; V82-F98 HydrophobicContact CG2-CZ 3.38Å; L94-F98 HydrophobicContact CD1-CD2 4.37Å; L94-F98 HydrophobicContact CD1-CE2 3.85Å; L94-F98 HydrophobicContact CG-CD2 4.14Å; L94-F98 HydrophobicContact CG-CE2 3.96Å; L94-F98 VanDerWaalsContact O-CD2 3.31Å; L94-F98 WeakPolarHBondContact O-CD2 3.12Å; L94-F98 PolarHBondContact O-N 2.85Å; R95-F98 PolarHBondContact O-N 2.76Å; F98-E100 PolarHBondContact O-N 3.3Å; F98-Y101 PolarHBondContact O-N 3.26Å; F98-Y101 VanDerWaalsContact O-N 3.07Å; F98-G102 PolarHBondContact O-N 3.18Å; F98-V104 HydrophobicContact CB-CG2 3.61Å; F98-V116 HydrophobicContact CB-CG1 4.07Å; F98-V116 HydrophobicContact CD1-CB 4.5Å; F98-V116 HydrophobicContact CD1-CG1 4.09Å; F98-V116 HydrophobicContact CD2-CG1 4.28Å; F98-V116 HydrophobicContact CD2-CG2 3.86Å; F98-V116 HydrophobicContact CE2-CG2 3.88Å; F98-V116 HydrophobicContact CG-CB 4.47Å; F98-V116 HydrophobicContact CG-CG1 3.88Å; F98-V116 HydrophobicContact CG-CG2 4.26Å; F98-V116 HydrophobicContact CZ-CG2 4.26Å; F98-M118 HydrophobicContact CB-SD 4.26Å; F98-M118 HydrophobicContact CD1-SD 4.27Å; F98-A127 HydrophobicContact CD1-CB 3.98Å; F98-A127 HydrophobicContact CE1-CB 4.17Å; F98-L131 HydrophobicContact CD1-CD1 3.78Å; F98-L131 HydrophobicContact CD2-CD1 4.23Å; F98-L131 HydrophobicContact CE1-CD1 3.6Å; F98-L131 HydrophobicContact CE2-CD1 4.06Å; F98-L131 HydrophobicContact CG-CD1 4.08Å; F98-L131 HydrophobicContact CZ-CD1 3.72Å; F98-V143 HydrophobicContact CE1-CG1 3.97Å; F98-V143 HydrophobicContact CZ-CG1 4.04Å; F98-V143 HydrophobicContact CZ-CG2 4.14Å
99E94.3Very high91.6Very high91 Ų9157 Ų5743%0.42529%0.285SS..Hα-helixtrans-63.8-20.1174.6-76.9179.3171.600113.3R95 A96 Y101 G102 V104R95-E99 HydrophobicContact CG-CG 4.23Å; R95-E99 IonicContact CZ-OE1 2.6Å; R95-E99 IonicContact NE-OE1 3.63Å; R95-E99 PolarHBondContact NE-OE1 2.94Å; R95-E99 IonicContact NH2-OE1 3.95Å; R95-E99 PolarHBondContact NH2-OE1 3.13Å; R95-E99 WeakPolarHBondContact O-CG 3.43Å; R95-E99 PolarHBondContact O-N 3.5Å; A96-E99 PolarHBondContact O-N 3.4Å; E99-Y101 PolarHBondContact O-N 2.94Å; E99-G102 WeakPolarHBondContact CA-O 3.41Å; E99-V104 HydrophobicContact CG-CB 4.16Å; E99-V104 HydrophobicContact CG-CG2 3.75Å
100E93.5Very high91.6Very high125 Ų12558.9 Ų58.958%0.58430%0.297SS*.THydrogen-bonded Turntrans-63.4-24.4171.7-65.9176-157.100112.8A96 K97 F98A96-E100 PolarHBondContact O-N 2.6Å; K97-E100 IonicContact NZ-OE1 2.97Å; K97-E100 PolarHBondContact NZ-OE1 2.83Å; K97-E100 IonicContact NZ-OE2 3.48Å; F98-E100 PolarHBondContact O-N 3.3Å
101Y93.7Very high91.3Very high69 Ų6964 Ų6427%0.27131%0.313SS..THydrogen-bonded Turntrans-100.9-30.5-179.6-62-89.4000112.9F98 E99 E126 A127 G130 L131F98-Y101 PolarHBondContact O-N 3.26Å; F98-Y101 VanDerWaalsContact O-N 3.07Å; E99-Y101 PolarHBondContact O-N 2.94Å; Y101-E126 HydrophobicContact CD1-CB 4.16Å; Y101-A127 HydrophobicContact CD1-CB 4.3Å; Y101-A127 HydrophobicContact CD2-CB 3.97Å; Y101-A127 HydrophobicContact CG-CB 3.77Å; Y101-G130 WeakPolarHBondContact OH-CA 3.09Å; Y101-L131 HydrophobicContact CD2-CD1 3.97Å; Y101-L131 HydrophobicContact CD2-CG 4.27Å; Y101-L131 HydrophobicContact CE2-CD1 3.56Å; Y101-L131 HydrophobicContact CE2-CD2 3.76Å; Y101-L131 HydrophobicContact CE2-CG 3.41Å; Y101-L131 VanDerWaalsContact CE2-CG 3.41Å
102G91Very high91.2Very high10 Ų1064.7 Ų64.710%0.10332%0.317CS..SBendtrans174.7171179.500000113.9F98 E99 V104 D123F98-G102 PolarHBondContact O-N 3.18Å; E99-G102 WeakPolarHBondContact CA-O 3.41Å; G102-V104 PolarHBondContact O-N 3.48Å; G102-D123 WeakPolarHBondContact CA-OD2 3.27Å
103P90.8Very high91.2Very high58 Ų5859.7 Ų59.738%0.37729%0.294SS..  trans-61.6123.8-178.822.9-31.7000112.4E119 D123P103-E119 HydrophobicContact CB-CB 4.39Å; P103-E119 WeakPolarHBondContact CB-OE2 3.19Å; P103-E119 HydrophobicContact CG-CB 3.92Å; P103-E119 WeakPolarHBondContact CG-OE2 3.44Å; P103-E119 PolarHBondContact O-N 3.23Å; P103-E119 VanDerWaalsContact O-N 3.11Å; P103-D123 WeakPolarHBondContact CD-OD2 3.41Å
104V91.5Very high91.2Very high11 Ų1155.9 Ų55.97%0.06728%0.276CS..EExtended strand (participates in β ladder)trans-92.9121.3177.7-179.80000109.8R95 F98 E99 G102 C107 V116 M118R95-V104 HydrophobicContact CG-CB 4.25Å; R95-V104 HydrophobicContact CG-CG1 4.2Å; F98-V104 HydrophobicContact CB-CG2 3.61Å; E99-V104 HydrophobicContact CG-CB 4.16Å; E99-V104 HydrophobicContact CG-CG2 3.75Å; G102-V104 PolarHBondContact O-N 3.48Å; V104-C107 HydrophobicContact CG1-CB 4.32Å; V104-V116 HydrophobicContact CG1-CG1 3.75Å; V104-V116 HydrophobicContact CG2-CG1 4.3Å; V104-M118 HydrophobicContact CG2-SD 3.9Å
105I89.2Confident91.2Very high72 Ų7257.2 Ų57.237%0.36928%0.282SS..EExtended strand (participates in β ladder)trans-77.6-46176.6-58.1170.5000110.4H117 E119 P154I105-H117 HydrophobicContact CB-CB 4.29Å; I105-H117 PolarHBondContact N-O 3.05Å; I105-E119 HydrophobicContact CD1-CB 4.02Å; I105-E119 HydrophobicContact CD1-CG 4.27Å; I105-E119 HydrophobicContact CG1-CB 4.02Å; I105-P154 HydrophobicContact CB-CB 4.34Å; I105-P154 HydrophobicContact CB-CG 4.27Å; I105-P154 HydrophobicContact CD1-CG 4.25Å; I105-P154 HydrophobicContact CG2-CB 3.6Å; I105-P154 HydrophobicContact CG2-CG 3.56Å
106E87.8Confident91.2Very high31 Ų3152.1 Ų52.115%0.14526%0.263CS..EExtended strand (participates in β ladder)trans-151.8144.1-174.9-170.7174.2-133.600110.8V116 H117 P154 G155E106-V116 CarbonylContact O-C 3.43Å; E106-V116 WeakPolarHBondContact O-CA 3.48Å; E106-H117 HydrophobicContact CB-CB 4.22Å; E106-H117 PolarHBondContact O-N 3.21Å; E106-H117 IonicContact OE2-CE1 3.54Å; E106-H117 IonicContact OE2-ND1 3.53Å; E106-H117 PolarHBondContact OE2-ND1 2.76Å; E106-P154 HydrophobicContact CB-CB 3.92Å; E106-P154 WeakPolarHBondContact OE2-CA 3.2Å; E106-P154 WeakPolarHBondContact OE2-CB 3.43Å; E106-G155 PolarHBondContact OE1-N 3.44Å; E106-G155 PolarHBondContact OE2-N 2.8Å
107C90.9Very high91Very high17 Ų1749.9 Ų49.912%0.11524%0.244CC..EExtended strand (participates in β ladder)trans-139.9113.7178179.80000109R95 V104 F115R95-C107 HydrophobicContact CB-CB 4.11Å; V104-C107 HydrophobicContact CG1-CB 4.32Å; C107-F115 WeakPolarHBondContact CA-O 3.43Å
108D90Very high91Very high38 Ų3846.6 Ų46.620%0.20323%0.229CC..EExtended strand (participates in β ladder)trans-120.2108.1-177-79.6-14.8000110A114 F115 R151D108-A114 CarbonylContact O-C 3.58Å; D108-A114 WeakPolarHBondContact O-CA 3.35Å; D108-A114 WeakPolarHBondContact O-CB 3.38Å; D108-F115 PolarHBondContact N-O 3.28Å; D108-F115 PolarHBondContact O-N 2.73Å; D108-R151 IonicContact OD2-NH1 2.84Å; D108-R151 PolarHBondContact OD2-NH1 2.75Å
109I90.3Very high90.7Very high40 Ų4050.5 Ų50.521%0.20525%0.248CC..EExtended strand (participates in β ladder)trans-83.4126.9168.6-61.2172.3000109.7C89 T90 N91 L94 A114C89-I109 WeakPolarHBondContact O-CD1 3.09Å; T90-I109 VanDerWaalsContact C-CD1 3.49Å; N91-I109 HydrophobicContact CB-CD1 4.38Å; N91-I109 WeakPolarHBondContact OD1-CB 3.48Å; N91-I109 WeakPolarHBondContact OD1-CG1 3.08Å; N91-I109 PolarHBondContact OD1-N 3.39Å; L94-I109 HydrophobicContact CB-CD1 4.3Å; L94-I109 HydrophobicContact CD2-CD1 4.14Å; L94-I109 HydrophobicContact CD2-CG1 3.87Å; I109-A114 HydrophobicContact CB-CB 4.32Å; I109-A114 HydrophobicContact CG1-CB 3.81Å
110V87.4Confident90.3Very high51 Ų5153.1 Ų53.131%0.30925%0.254SS..EExtended strand (participates in β ladder)trans-125.9100.7176-174.90000108.4D112 Y113V110-D112 PolarHBondContact O-N 3.01Å; V110-D112 VanDerWaalsContact O-N 3.09Å; V110-Y113 CarbonylContact C-O 3.49Å; V110-Y113 HydrophobicContact CB-CD2 4.24Å; V110-Y113 HydrophobicContact CB-CE2 3.69Å; V110-Y113 HydrophobicContact CG1-CE1 4.39Å; V110-Y113 HydrophobicContact CG1-CE2 4.02Å; V110-Y113 WeakPolarHBondContact CG1-OH 3.29Å; V110-Y113 HydrophobicContact CG2-CE2 4.43Å; V110-Y113 PolarHBondContact N-O 3.3Å; V110-Y113 VanDerWaalsContact O-CD1 3.29Å; V110-Y113 WeakPolarHBondContact O-CD1 3.41Å; V110-Y113 WeakPolarHBondContact O-CE1 3.42Å; V110-Y113 PolarHBondContact O-N 3.22Å
111K85.9Confident90Very high176 Ų17649.1 Ų49.177%0.76524%0.242SC*.THydrogen-bonded Turntrans60.6-104.4-178.7-56.6176.9177.9-177.60112.6
112D89.3Confident89.8Confident88 Ų8851.9 Ų51.947%0.47126%0.257SS..THydrogen-bonded Turntrans-107.33.3-17560.1-58.3000112.9N84 I85 V110N84-D112 PolarHBondContact N-O 2.85Å; N84-D112 VanDerWaalsContact N-O 3.14Å; I85-D112 PolarHBondContact N-O 3.34Å; V110-D112 PolarHBondContact O-N 3.01Å; V110-D112 VanDerWaalsContact O-N 3.09Å
113Y91.6Very high89.9Confident73 Ų7352.4 Ų52.429%0.28626%0.258SS..EExtended strand (participates in β ladder)trans-134.2166.5174.761.8-89000111.2H81 V82 V110 F115H81-Y113 AromaticContact NE2-CG 3.99Å; V82-Y113 CarbonylContact O-C 3.56Å; V82-Y113 WeakPolarHBondContact O-CA 3.26Å; V82-Y113 VanDerWaalsContact O-CB 3.31Å; V82-Y113 WeakPolarHBondContact O-CB 3.1Å; V110-Y113 CarbonylContact C-O 3.49Å; V110-Y113 HydrophobicContact CB-CD2 4.24Å; V110-Y113 HydrophobicContact CB-CE2 3.69Å; V110-Y113 HydrophobicContact CG1-CE1 4.39Å; V110-Y113 HydrophobicContact CG1-CE2 4.02Å; V110-Y113 WeakPolarHBondContact CG1-OH 3.29Å; V110-Y113 HydrophobicContact CG2-CE2 4.43Å; V110-Y113 PolarHBondContact N-O 3.3Å; V110-Y113 VanDerWaalsContact O-CD1 3.29Å; V110-Y113 WeakPolarHBondContact O-CD1 3.41Å; V110-Y113 WeakPolarHBondContact O-CE1 3.42Å; V110-Y113 PolarHBondContact O-N 3.22Å; Y113-F115 HydrophobicContact CD2-CE2 4.05Å; Y113-F115 HydrophobicContact CD2-CZ 4.28Å; Y113-F115 HydrophobicContact CE2-CD2 4.46Å; Y113-F115 AromaticContact CE2-CE2 3.66Å; Y113-F115 HydrophobicContact CE2-CE2 3.66Å; Y113-F115 HydrophobicContact CE2-CZ 4.08Å
114A92.5Very high90Very high0 Ų049.7 Ų49.70%024%0.24CC..EExtended strand (participates in β ladder)trans-140.7160.2176.400000112.3V82 I85 L94 D108 I109V82-A114 HydrophobicContact CB-CB 4.27Å; V82-A114 PolarHBondContact N-O 3.27Å; V82-A114 PolarHBondContact O-N 3.47Å; I85-A114 HydrophobicContact CD1-CB 3.24Å; L94-A114 HydrophobicContact CD2-CB 3.47Å; L94-A114 VanDerWaalsContact CD2-CB 3.47Å; D108-A114 CarbonylContact O-C 3.58Å; D108-A114 WeakPolarHBondContact O-CA 3.35Å; D108-A114 WeakPolarHBondContact O-CB 3.38Å; I109-A114 HydrophobicContact CB-CB 4.32Å; I109-A114 HydrophobicContact CG1-CB 3.81Å
115F92.3Very high90Very high28 Ų2852 Ų5212%0.12325%0.254CS..EExtended strand (participates in β ladder)trans-117.2127.4169.8-65.1-69.8000110.3K79 L80 H81 C107 D108 Y113 S146K79-F115 HydrophobicContact CD-CD1 4.33Å; K79-F115 VanDerWaalsContact CE-CG 3.47Å; K79-F115 HydrophobicContact CG-CD1 4.4Å; L80-F115 VanDerWaalsContact O-CA 3.3Å; L80-F115 WeakPolarHBondContact O-CA 3.3Å; H81-F115 HydrophobicContact CB-CD1 4.35Å; H81-F115 HydrophobicContact CB-CE1 4.16Å; H81-F115 AromaticContact CD2-CE1 3.63Å; C107-F115 WeakPolarHBondContact CA-O 3.43Å; D108-F115 PolarHBondContact N-O 3.28Å; D108-F115 PolarHBondContact O-N 2.73Å; Y113-F115 HydrophobicContact CD2-CE2 4.05Å; Y113-F115 HydrophobicContact CD2-CZ 4.28Å; Y113-F115 HydrophobicContact CE2-CD2 4.46Å; Y113-F115 AromaticContact CE2-CE2 3.66Å; Y113-F115 HydrophobicContact CE2-CE2 3.66Å; Y113-F115 HydrophobicContact CE2-CZ 4.08Å; F115-S146 WeakPolarHBondContact CE1-OG 3.49Å
116V92.8Very high90.3Very high0 Ų053.9 Ų53.90%026%0.261CS..EExtended strand (participates in β ladder)trans-119.6124.7178.7-175.40000108.5K79 L80 V82 F98 V104 E106 M118K79-V116 CarbonylContact C-O 3.58Å; K79-V116 WeakPolarHBondContact CA-O 3.37Å; L80-V116 HydrophobicContact CB-CB 4.33Å; L80-V116 PolarHBondContact N-O 3.49Å; L80-V116 PolarHBondContact O-N 3.11Å; V82-V116 HydrophobicContact CG2-CG2 4.02Å; F98-V116 HydrophobicContact CB-CG1 4.07Å; F98-V116 HydrophobicContact CD1-CB 4.5Å; F98-V116 HydrophobicContact CD1-CG1 4.09Å; F98-V116 HydrophobicContact CD2-CG1 4.28Å; F98-V116 HydrophobicContact CD2-CG2 3.86Å; F98-V116 HydrophobicContact CE2-CG2 3.88Å; F98-V116 HydrophobicContact CG-CB 4.47Å; F98-V116 HydrophobicContact CG-CG1 3.88Å; F98-V116 HydrophobicContact CG-CG2 4.26Å; F98-V116 HydrophobicContact CZ-CG2 4.26Å; V104-V116 HydrophobicContact CG1-CG1 3.75Å; V104-V116 HydrophobicContact CG2-CG1 4.3Å; E106-V116 CarbonylContact O-C 3.43Å; E106-V116 WeakPolarHBondContact O-CA 3.48Å; V116-M118 HydrophobicContact CG1-SD 3.97Å
117H91Very high90.7Very high0 Ų052.4 Ų52.40%025%0.254CS..EExtended strand (participates in β ladder)trans-98.5111.9174.4-66.888.2000109.1K79 I105 E106 P154K79-H117 WeakPolarHBondContact CD-NE2 3.31Å; I105-H117 HydrophobicContact CB-CB 4.29Å; I105-H117 PolarHBondContact N-O 3.05Å; E106-H117 HydrophobicContact CB-CB 4.22Å; E106-H117 PolarHBondContact O-N 3.21Å; E106-H117 IonicContact OE2-CE1 3.54Å; E106-H117 IonicContact OE2-ND1 3.53Å; E106-H117 PolarHBondContact OE2-ND1 2.76Å; H117-P154 HydrophobicContact CB-CB 4.05Å; H117-P154 HydrophobicContact CB-CG 4.4Å
118M91Very high90.8Very high0 Ų053.1 Ų53.10%026%0.257CS..EExtended strand (participates in β ladder)trans-87.5141.8174-59.3-61.1-70.600109.9S77 T78 L80 F98 V104 V116 R120 D123 A124S77-M118 CarbonylContact C-O 3.57Å; S77-M118 WeakPolarHBondContact CA-O 3.5Å; S77-M118 WeakPolarHBondContact CB-O 3.47Å; T78-M118 PolarHBondContact N-O 3.2Å; T78-M118 PolarHBondContact O-N 3.41Å; L80-M118 HydrophobicContact CD1-CG 3.77Å; L80-M118 HydrophobicContact CG-CG 4.25Å; F98-M118 HydrophobicContact CB-SD 4.26Å; F98-M118 HydrophobicContact CD1-SD 4.27Å; V104-M118 HydrophobicContact CG2-SD 3.9Å; V116-M118 HydrophobicContact CG1-SD 3.97Å; M118-R120 VanDerWaalsContact C-N 3.33Å; M118-D123 HydrophobicContact CE-CB 4.01Å; M118-A124 HydrophobicContact CB-CB 3.8Å; M118-A124 HydrophobicContact CG-CB 3.76Å
119E87.3Confident91.1Very high83 Ų8361.1 Ų61.139%0.38828%0.284SS..SBendtrans-64.6-40.4177.8-169.5-178.4162.900112.3S74 P103 I105S74-E119 PolarHBondContact OG-O 2.81Å; P103-E119 HydrophobicContact CB-CB 4.39Å; P103-E119 WeakPolarHBondContact CB-OE2 3.19Å; P103-E119 HydrophobicContact CG-CB 3.92Å; P103-E119 WeakPolarHBondContact CG-OE2 3.44Å; P103-E119 PolarHBondContact O-N 3.23Å; P103-E119 VanDerWaalsContact O-N 3.11Å; I105-E119 HydrophobicContact CD1-CB 4.02Å; I105-E119 HydrophobicContact CD1-CG 4.27Å; I105-E119 HydrophobicContact CG1-CB 4.02Å
120R86Confident91.2Very high146 Ų14660.7 Ų60.755%0.55129%0.289SS*.  trans-111.2147.3-176.7-59.1-177.2170.5-147.5-2.6111M118 D123 A124M118-R120 VanDerWaalsContact C-N 3.33Å; R120-D123 HydrophobicContact CB-CB 4.21Å; R120-D123 WeakPolarHBondContact CB-OD2 3.2Å; R120-D123 WeakPolarHBondContact CD-OD2 3.32Å; R120-A124 PolarHBondContact O-N 2.99Å
121A88.3Confident91.5Very high40 Ų4058.7 Ų58.733%0.33128%0.277SS..Hα-helixtrans-77.4-32.1178.800000111.5T78 A124 V125T78-A121 VanDerWaalsContact OG1-CA 3.3Å; T78-A121 WeakPolarHBondContact OG1-CA 3.45Å; T78-A121 WeakPolarHBondContact OG1-CB 3.24Å; A121-A124 WeakPolarHBondContact O-CB 3.33Å; A121-A124 PolarHBondContact O-N 3.15Å; A121-V125 WeakPolarHBondContact O-CG2 3.13Å; A121-V125 PolarHBondContact O-N 2.86Å; A121-V125 VanDerWaalsContact O-N 3.14Å
122E89.6Confident91.8Very high127 Ų12752.5 Ų52.559%0.59325%0.252SS*.Hα-helixtrans-63.4-54.8179-61.369.5-150.700110A124 V125 E126E122-A124 PolarHBondContact O-N 2.94Å; E122-V125 WeakPolarHBondContact O-CB 3.17Å; E122-V125 PolarHBondContact O-N 3.5Å; E122-E126 PolarHBondContact O-N 3.48Å
123D92.7Very high91.9Very high22 Ų2252.8 Ų52.812%0.11825%0.254CS..Hα-helixtrans-56.9-35.9176.7-52.53.4000111.7G102 P103 M118 R120 E126 A127G102-D123 WeakPolarHBondContact CA-OD2 3.27Å; P103-D123 WeakPolarHBondContact CD-OD2 3.41Å; M118-D123 HydrophobicContact CE-CB 4.01Å; R120-D123 HydrophobicContact CB-CB 4.21Å; R120-D123 WeakPolarHBondContact CB-OD2 3.2Å; R120-D123 WeakPolarHBondContact CD-OD2 3.32Å; D123-E126 PolarHBondContact O-N 3.16Å; D123-A127 VanDerWaalsContact O-CB 3.3Å; D123-A127 WeakPolarHBondContact O-CB 3.42Å; D123-A127 PolarHBondContact O-N 3.43Å
124A92.4Very high91.9Very high0 Ų051.4 Ų51.40%025%0.253CS..Hα-helixtrans-66.5-38.3177.500000112.5T78 L80 M118 R120 A121 E122 I128T78-A124 HydrophobicContact CG2-CB 3.52Å; L80-A124 HydrophobicContact CD1-CB 4.3Å; L80-A124 HydrophobicContact CD2-CB 4.09Å; L80-A124 HydrophobicContact CG-CB 4.36Å; M118-A124 HydrophobicContact CB-CB 3.8Å; M118-A124 HydrophobicContact CG-CB 3.76Å; R120-A124 PolarHBondContact O-N 2.99Å; A121-A124 WeakPolarHBondContact O-CB 3.33Å; A121-A124 PolarHBondContact O-N 3.15Å; E122-A124 PolarHBondContact O-N 2.94Å; A124-I128 WeakPolarHBondContact O-CD1 3.39Å; A124-I128 VanDerWaalsContact O-CG1 3.26Å; A124-I128 WeakPolarHBondContact O-CG1 3.41Å; A124-I128 PolarHBondContact O-N 3.44Å
125V92.9Very high91.9Very high59 Ų5957.8 Ų57.836%0.35828%0.283SS..Hα-helixtrans-69.8-39176.1173.40000110.8A121 E122 I128 R129A121-V125 WeakPolarHBondContact O-CG2 3.13Å; A121-V125 PolarHBondContact O-N 2.86Å; A121-V125 VanDerWaalsContact O-N 3.14Å; E122-V125 WeakPolarHBondContact O-CB 3.17Å; E122-V125 PolarHBondContact O-N 3.5Å; V125-I128 PolarHBondContact O-N 3.4Å; V125-R129 WeakPolarHBondContact O-CG 3.29Å; V125-R129 PolarHBondContact O-N 2.85Å
126E94.8Very high91.6Very high113 Ų11358 Ų5853%0.52828%0.284SS..Hα-helixtrans-65.2-43.7174.6-65.7-167.2124.600111.7Y101 E122 D123 I128 R129 G130Y101-E126 HydrophobicContact CD1-CB 4.16Å; E122-E126 PolarHBondContact O-N 3.48Å; D123-E126 PolarHBondContact O-N 3.16Å; E126-I128 VanDerWaalsContact C-N 3.34Å; E126-I128 PolarHBondContact O-N 3.32Å; E126-R129 PolarHBondContact O-N 3.47Å; E126-R129 VanDerWaalsContact O-N 3.15Å; E126-G130 PolarHBondContact O-N 2.82Å
127A95.1Very high91.3Very high0 Ų061.2 Ų61.20%030%0.299CS..Hα-helixtrans-59-42.9174.300000112.1L80 F98 Y101 D123 G130 L131L80-A127 HydrophobicContact CD1-CB 4.25Å; F98-A127 HydrophobicContact CD1-CB 3.98Å; F98-A127 HydrophobicContact CE1-CB 4.17Å; Y101-A127 HydrophobicContact CD1-CB 4.3Å; Y101-A127 HydrophobicContact CD2-CB 3.97Å; Y101-A127 HydrophobicContact CG-CB 3.77Å; D123-A127 VanDerWaalsContact O-CB 3.3Å; D123-A127 WeakPolarHBondContact O-CB 3.42Å; D123-A127 PolarHBondContact O-N 3.43Å; A127-G130 PolarHBondContact O-N 2.84Å; A127-L131 VanDerWaalsContact O-CB 3.24Å; A127-L131 WeakPolarHBondContact O-CB 3.3Å; A127-L131 PolarHBondContact O-N 2.93Å
128I94.8Very high91Very high31 Ų3165.1 Ų65.116%0.15934%0.339CS..Hα-helixtrans-59.1-50.3173.7-70.8159.6000110.3L80 A124 V125 E126 G130 D132 V143 L145L80-I128 HydrophobicContact CD2-CD1 3.52Å; L80-I128 HydrophobicContact CD2-CG1 3.73Å; A124-I128 WeakPolarHBondContact O-CD1 3.39Å; A124-I128 VanDerWaalsContact O-CG1 3.26Å; A124-I128 WeakPolarHBondContact O-CG1 3.41Å; A124-I128 PolarHBondContact O-N 3.44Å; V125-I128 PolarHBondContact O-N 3.4Å; E126-I128 VanDerWaalsContact C-N 3.34Å; E126-I128 PolarHBondContact O-N 3.32Å; I128-G130 VanDerWaalsContact C-N 3.27Å; I128-G130 PolarHBondContact O-N 3.45Å; I128-D132 WeakPolarHBondContact O-CB 3.5Å; I128-D132 PolarHBondContact O-N 3.09Å; I128-V143 HydrophobicContact CB-CG1 4.48Å; I128-V143 HydrophobicContact CG1-CG1 3.9Å; I128-V143 WeakPolarHBondContact CG2-O 3.42Å; I128-L145 HydrophobicContact CD1-CD2 3.75Å; I128-L145 HydrophobicContact CD1-CG 3.69Å
129R94.7Very high91Very high206 Ų20668.5 Ų68.578%0.77735%0.353SS*.Hα-helixtrans-63.7-33.9-176.9-72174.5179-170.31.1113V125 E126V125-R129 WeakPolarHBondContact O-CG 3.29Å; V125-R129 PolarHBondContact O-N 2.85Å; E126-R129 PolarHBondContact O-N 3.47Å; E126-R129 VanDerWaalsContact O-N 3.15Å
130G92.5Very high91.2Very high31 Ų3171.5 Ų71.532%0.3236%0.361SS..Hα-helixtrans-88.1-35.1-176.400000114.4Y101 E126 A127 I128 T134Y101-G130 WeakPolarHBondContact OH-CA 3.09Å; E126-G130 PolarHBondContact O-N 2.82Å; A127-G130 PolarHBondContact O-N 2.84Å; I128-G130 VanDerWaalsContact C-N 3.27Å; I128-G130 PolarHBondContact O-N 3.45Å; G130-T134 WeakPolarHBondContact O-CG2 3.39Å
131L93.5Very high91.6Very high9 Ų964.8 Ų64.85%0.04734%0.336CS..Hα-helixtrans-100.3-20.2-174.7-64.5173.4000113.7F98 Y101 A127 N133 T134 M141 V143F98-L131 HydrophobicContact CD1-CD1 3.78Å; F98-L131 HydrophobicContact CD2-CD1 4.23Å; F98-L131 HydrophobicContact CE1-CD1 3.6Å; F98-L131 HydrophobicContact CE2-CD1 4.06Å; F98-L131 HydrophobicContact CG-CD1 4.08Å; F98-L131 HydrophobicContact CZ-CD1 3.72Å; Y101-L131 HydrophobicContact CD2-CD1 3.97Å; Y101-L131 HydrophobicContact CD2-CG 4.27Å; Y101-L131 HydrophobicContact CE2-CD1 3.56Å; Y101-L131 HydrophobicContact CE2-CD2 3.76Å; Y101-L131 HydrophobicContact CE2-CG 3.41Å; Y101-L131 VanDerWaalsContact CE2-CG 3.41Å; A127-L131 VanDerWaalsContact O-CB 3.24Å; A127-L131 WeakPolarHBondContact O-CB 3.3Å; A127-L131 PolarHBondContact O-N 2.93Å; L131-N133 PolarHBondContact O-N 3.01Å; L131-T134 WeakPolarHBondContact O-CB 3.4Å; L131-T134 WeakPolarHBondContact O-CG2 3.34Å; L131-T134 PolarHBondContact O-N 3.3Å; L131-T134 VanDerWaalsContact O-N 3.15Å; L131-T134 PolarHBondContact O-OG1 3.08Å; L131-M141 HydrophobicContact CB-SD 4.15Å; L131-M141 WeakPolarHBondContact O-CG 3.43Å; L131-V143 HydrophobicContact CB-CG2 3.84Å
132D93.4Very high91.8Very high46 Ų4666 Ų6625%0.24634%0.335CS..THydrogen-bonded Turntrans-63.3130.7177.4-169.943.1000111.2I128 T134 H142 V143I128-D132 WeakPolarHBondContact O-CB 3.5Å; I128-D132 PolarHBondContact O-N 3.09Å; D132-T134 VanDerWaalsContact C-N 3.26Å; D132-T134 PolarHBondContact O-N 3.47Å; D132-H142 WeakPolarHBondContact OD1-CA 3.37Å; D132-H142 IonicContact OD1-CE1 3.74Å; D132-H142 IonicContact OD1-CG 2.81Å; D132-H142 IonicContact OD1-ND1 3.33Å; D132-H142 PolarHBondContact OD1-ND1 3.39Å; D132-H142 VanDerWaalsContact OD1-ND1 3.13Å; D132-V143 HydrophobicContact CB-CB 4.21Å; D132-V143 PolarHBondContact OD1-N 2.75Å
133N91.5Very high92.1Very high95 Ų9559.9 Ų59.951%0.50831%0.306SS..THydrogen-bonded Turntrans63.720.6-174.2-57.8-72.5000115.8L131 M141L131-N133 PolarHBondContact O-N 3.01Å; N133-M141 WeakPolarHBondContact CA-O 3.44Å; N133-M141 PolarHBondContact N-O 2.73Å
134T92Very high92.1Very high44 Ų4463.5 Ų63.527%0.2732%0.323SS..  trans-85.6148.9173.561.80000112.7G130 L131 D132 R140 M141G130-T134 WeakPolarHBondContact O-CG2 3.39Å; L131-T134 WeakPolarHBondContact O-CB 3.4Å; L131-T134 WeakPolarHBondContact O-CG2 3.34Å; L131-T134 PolarHBondContact O-N 3.3Å; L131-T134 VanDerWaalsContact O-N 3.15Å; L131-T134 PolarHBondContact O-OG1 3.08Å; D132-T134 VanDerWaalsContact C-N 3.26Å; D132-T134 PolarHBondContact O-N 3.47Å; T134-R140 CarbonylContact O-C 3.33Å; T134-R140 VanDerWaalsContact O-CA 3.27Å; T134-R140 WeakPolarHBondContact O-CA 3.3Å; T134-M141 PolarHBondContact O-N 2.79Å
135E90.8Very high92.1Very high134 Ų13468.3 Ų68.363%0.62635%0.347SS*.EExtended strand (participates in β ladder)trans-83.5120.3175.6-72.5178.7-178.500110.7K139 R140E135-K139 CarbonylContact C-O 3.56Å; E135-K139 WeakPolarHBondContact CA-O 3.21Å; E135-R140 HydrophobicContact CG-CG 3.59Å; E135-R140 IonicContact OE1-CZ 2.76Å; E135-R140 IonicContact OE1-NE 3.33Å; E135-R140 PolarHBondContact OE1-NE 3.28Å; E135-R140 IonicContact OE1-NH2 3.86Å; E135-R140 PolarHBondContact OE1-NH2 3.01Å
136F87Confident91.9Very high32 Ų3266.8 Ų66.814%0.1434%0.339CS..EExtended strand (participates in β ladder)trans-135.7119.5179.2-168.6-100.9000110.2C89 E93 K97 G138 K139 M141C89-F136 HydrophobicContact CB-CE1 4.32Å; C89-F136 VanDerWaalsContact SG-CE1 3.54Å; E93-F136 HydrophobicContact CB-CZ 4.14Å; K97-F136 HydrophobicContact CD-CD2 4.39Å; K97-F136 HydrophobicContact CD-CE2 4.05Å; K97-F136 HydrophobicContact CG-CD2 4.15Å; K97-F136 HydrophobicContact CG-CE2 3.52Å; K97-F136 HydrophobicContact CG-CZ 4.12Å; F136-G138 PolarHBondContact O-N 3.19Å; F136-K139 PolarHBondContact N-O 3.18Å; F136-K139 PolarHBondContact O-N 2.97Å; F136-K139 VanDerWaalsContact O-N 3.13Å; F136-K139 VanDerWaalsContact O-O 3.1Å; F136-M141 HydrophobicContact CB-CE 3.19Å; F136-M141 HydrophobicContact CD1-CE 3.89Å; F136-M141 HydrophobicContact CD2-CE 3.92Å; F136-M141 HydrophobicContact CG-CE 3.38Å
137Q85.3Confident91.3Very high68 Ų6868 Ų6832%0.31836%0.355SS..THydrogen-bonded Turntrans50.742-175.7-62-173-15.100113.5T88 E93 K139T88-Q137 VanDerWaalsContact C-OE1 3.24Å; T88-Q137 PolarHBondContact OG1-OE1 3.23Å; E93-Q137 PolarHBondContact OE2-NE2 3.4Å; Q137-K139 VanDerWaalsContact C-N 3.28Å; Q137-K139 PolarHBondContact O-N 3.28Å
138G86.6Confident90.2Very high81 Ų8169.7 Ų69.784%0.83537%0.367SS*.THydrogen-bonded Turntrans77.93.9177.200000115.4F136F136-G138 PolarHBondContact O-N 3.19Å
139K90Very high88.9Confident71 Ų7178 Ų7831%0.30940%0.396SS..EExtended strand (participates in β ladder)trans-120.3153.7171-67.7-164.4-174.4179.90111.2I85 E135 F136 Q137I85-K139 PolarHBondContact O-NZ 3.41Å; E135-K139 CarbonylContact C-O 3.56Å; E135-K139 WeakPolarHBondContact CA-O 3.21Å; F136-K139 PolarHBondContact N-O 3.18Å; F136-K139 PolarHBondContact O-N 2.97Å; F136-K139 VanDerWaalsContact O-N 3.13Å; F136-K139 VanDerWaalsContact O-O 3.1Å; Q137-K139 VanDerWaalsContact C-N 3.28Å; Q137-K139 PolarHBondContact O-N 3.28Å
140R91.7Very high87.3Confident147 Ų14771.3 Ų71.356%0.55538%0.375SS*.EExtended strand (participates in β ladder)trans-89112173.3-71.6-179.5175.1-141.8-4.4110.3N84 T134 E135N84-R140 WeakPolarHBondContact CB-O 3.11Å; N84-R140 PolarHBondContact ND2-O 2.94Å; T134-R140 CarbonylContact O-C 3.33Å; T134-R140 VanDerWaalsContact O-CA 3.27Å; T134-R140 WeakPolarHBondContact O-CA 3.3Å; E135-R140 HydrophobicContact CG-CG 3.59Å; E135-R140 IonicContact OE1-CZ 2.76Å; E135-R140 IonicContact OE1-NE 3.33Å; E135-R140 PolarHBondContact OE1-NE 3.28Å; E135-R140 IonicContact OE1-NH2 3.86Å; E135-R140 PolarHBondContact OE1-NH2 3.01Å
141M93.3Very high85.8Confident4 Ų473 Ų732%0.0237%0.372CS..  trans-76.8147178.672.2170.280.900110.9V82 G83 L94 L131 N133 T134 F136 V143V82-M141 HydrophobicContact CG1-CB 4.26Å; V82-M141 HydrophobicContact CG1-SD 4.19Å; G83-M141 WeakPolarHBondContact O-CA 3.24Å; L94-M141 HydrophobicContact CD1-CE 4.41Å; L131-M141 HydrophobicContact CB-SD 4.15Å; L131-M141 WeakPolarHBondContact O-CG 3.43Å; N133-M141 WeakPolarHBondContact CA-O 3.44Å; N133-M141 PolarHBondContact N-O 2.73Å; T134-M141 PolarHBondContact O-N 2.79Å; F136-M141 HydrophobicContact CB-CE 3.19Å; F136-M141 HydrophobicContact CD1-CE 3.89Å; F136-M141 HydrophobicContact CD2-CE 3.92Å; F136-M141 HydrophobicContact CG-CE 3.38Å; M141-V143 HydrophobicContact CG-CG2 4.07Å; M141-V143 HydrophobicContact SD-CG2 3.85Å
142H93.3Very high84.4Confident65 Ų6576.7 Ų76.730%0.30140%0.395SS..EExtended strand (participates in β ladder)trans-115.9112.5178.6-168.167.5000109.6V82 G83 D132 Q144V82-H142 CarbonylContact C-O 3.54Å; V82-H142 WeakPolarHBondContact CA-O 3.19Å; G83-H142 PolarHBondContact N-O 2.86Å; G83-H142 PolarHBondContact O-N 3.43Å; D132-H142 WeakPolarHBondContact OD1-CA 3.37Å; D132-H142 IonicContact OD1-CE1 3.74Å; D132-H142 IonicContact OD1-CG 2.81Å; D132-H142 IonicContact OD1-ND1 3.33Å; D132-H142 PolarHBondContact OD1-ND1 3.39Å; D132-H142 VanDerWaalsContact OD1-ND1 3.13Å; H142-Q144 WeakPolarHBondContact NE2-CG 3.43Å; H142-Q144 PolarHBondContact NE2-NE2 2.81Å; H142-Q144 PolarHBondContact NE2-OE1 2.83Å
143V95.3Very high82.8Confident0 Ų077.5 Ų77.50%041%0.408CS..EExtended strand (participates in β ladder)trans-111.6122-171.6-1720000109.6L80 V82 F98 I128 L131 D132 M141L80-V143 HydrophobicContact CD1-CG1 4.38Å; V82-V143 HydrophobicContact CG1-CG2 4.22Å; V82-V143 HydrophobicContact CG2-CG1 4.39Å; V82-V143 HydrophobicContact CG2-CG2 4.45Å; F98-V143 HydrophobicContact CE1-CG1 3.97Å; F98-V143 HydrophobicContact CZ-CG1 4.04Å; F98-V143 HydrophobicContact CZ-CG2 4.14Å; I128-V143 HydrophobicContact CB-CG1 4.48Å; I128-V143 HydrophobicContact CG1-CG1 3.9Å; I128-V143 WeakPolarHBondContact CG2-O 3.42Å; L131-V143 HydrophobicContact CB-CG2 3.84Å; D132-V143 HydrophobicContact CB-CB 4.21Å; D132-V143 PolarHBondContact OD1-N 2.75Å; M141-V143 HydrophobicContact CG-CG2 4.07Å; M141-V143 HydrophobicContact SD-CG2 3.85Å
144Q93.8Very high81.4Confident98 Ų9875 Ų7546%0.45840%0.397SS..EExtended strand (participates in β ladder)trans-140.7161-179.1-65.9-173.4-42.600111.9L80 H81 H142 S146L80-Q144 CarbonylContact C-O 3.47Å; L80-Q144 WeakPolarHBondContact CA-O 3.33Å; H81-Q144 PolarHBondContact N-O 2.84Å; H81-Q144 PolarHBondContact O-N 2.86Å; H142-Q144 WeakPolarHBondContact NE2-CG 3.43Å; H142-Q144 PolarHBondContact NE2-NE2 2.81Å; H142-Q144 PolarHBondContact NE2-OE1 2.83Å; Q144-S146 PolarHBondContact O-N 2.87Å
145L92.2Very high79.9Confident100 Ų10074.7 Ų74.752%0.52440%0.403SS..EExtended strand (participates in β ladder)trans-58.7129.2166-70.9172.6000109.4T78 L80 I128 T147T78-L145 HydrophobicContact CG2-CD2 3.52Å; L80-L145 HydrophobicContact CD2-CD2 4.07Å; I128-L145 HydrophobicContact CD1-CD2 3.75Å; I128-L145 HydrophobicContact CD1-CG 3.69Å; L145-T147 PolarHBondContact O-N 3.09Å
146S88.8Confident78Confident27 Ų2774.9 Ų74.919%0.18941%0.405CS..  trans-66.3122.5-177.9-164.20000110.2K79 F115 Q144 S148K79-S146 WeakPolarHBondContact O-CB 3.4Å; K79-S146 PolarHBondContact O-N 3.11Å; F115-S146 WeakPolarHBondContact CE1-OG 3.49Å; Q144-S146 PolarHBondContact O-N 2.87Å; S146-S148 WeakPolarHBondContact OG-CB 3.42Å; S146-S148 PolarHBondContact OG-N 3.18Å
147T82.1Confident76.4Confident138 Ų13875.2 Ų75.285%0.84742%0.418SS*.  trans-82.8-3.9168.457.70000111.8L145 R149L145-T147 PolarHBondContact O-N 3.09Å; T147-R149 PolarHBondContact O-N 2.76Å
148S72.2Confident75Confident36 Ų3678.2 Ų78.225%0.25244%0.437SS..  trans-72.4115.9-175.8-170.90000110.8S146 L150S146-S148 WeakPolarHBondContact OG-CB 3.42Å; S146-S148 PolarHBondContact OG-N 3.18Å; S148-L150 PolarHBondContact O-N 2.84Å; S148-L150 WeakPolarHBondContact OG-CB 3.09Å; S148-L150 PolarHBondContact OG-N 2.74Å
149R68Low73.7Confident207 Ų20782.5 Ų82.578%0.78144%0.435SS*.  trans-76.8-7.4168.2-60.2-173.5-178.5175.21112.5T147 R151T147-R149 PolarHBondContact O-N 2.76Å; R149-R151 PolarHBondContact O-N 3.07Å
150L60.5Low72.5Confident65 Ų6582 Ų8234%0.3444%0.441SS..SBendtrans-79.6119.2178.1-156.478.6000108.6K79 S148 Y163 R164K79-L150 PolarHBondContact NZ-O 3.42Å; S148-L150 PolarHBondContact O-N 2.84Å; S148-L150 WeakPolarHBondContact OG-CB 3.09Å; S148-L150 PolarHBondContact OG-N 2.74Å; L150-Y163 VanDerWaalsContact CD1-C 3.42Å; L150-Y163 WeakPolarHBondContact CD1-O 3.31Å; L150-R164 HydrophobicContact CD1-CB 4.29Å; L150-R164 HydrophobicContact CD1-CG 3.58Å
151R61Low71.3Confident67 Ų6775.8 Ų75.825%0.25342%0.421SS..  trans48.681-175.5-68.9-169.6-89.2127.6-8.3112.9K79 D108 R149 Y163K79-R151 PolarHBondContact NZ-O 2.95Å; D108-R151 IonicContact OD2-NH1 2.84Å; D108-R151 PolarHBondContact OD2-NH1 2.75Å; R149-R151 PolarHBondContact O-N 3.07Å; R151-Y163 HydrophobicContact CG-CD1 4.43Å
152T63Low70.3Confident85 Ų8575.7 Ų75.752%0.52142%0.421SS..  trans-77.7-25174.6-50.70000112.6
153A60.9Low69.2Low63 Ų6377 Ų7752%0.52142%0.424SS..SBendtrans-99.1140.5176.500000110.3
154P60.9Low67.9Low42 Ų4283.5 Ų83.527%0.27345%0.449SS..SBendtrans-68.7142.4175.324.3-30.7000110.9S77 I105 E106 H117S77-P154 VanDerWaalsContact OG-CD 3.24Å; S77-P154 WeakPolarHBondContact OG-CD 3.44Å; I105-P154 HydrophobicContact CB-CB 4.34Å; I105-P154 HydrophobicContact CB-CG 4.27Å; I105-P154 HydrophobicContact CD1-CG 4.25Å; I105-P154 HydrophobicContact CG2-CB 3.6Å; I105-P154 HydrophobicContact CG2-CG 3.56Å; E106-P154 HydrophobicContact CB-CB 3.92Å; E106-P154 WeakPolarHBondContact OE2-CA 3.2Å; E106-P154 WeakPolarHBondContact OE2-CB 3.43Å; H117-P154 HydrophobicContact CB-CB 4.05Å; H117-P154 HydrophobicContact CB-CG 4.4Å
155G60.3Low67Low39 Ų3980.4 Ų80.440%0.40244%0.437SS..SBendtrans130.7129.2-177.800000112.6E106 G157E106-G155 PolarHBondContact OE1-N 3.44Å; E106-G155 PolarHBondContact OE2-N 2.8Å; G155-G157 PolarHBondContact O-N 3.32Å
156M52.4Low65.9Low137 Ų13778.9 Ų78.968%0.67545%0.446SS*.  trans-67.883170.3-15976143.900108.6
157G53.3Low65Low40 Ų4084.4 Ų84.441%0.41247%0.466SS..  trans-48.5144.8174.300000110.5G155 Q159G155-G157 PolarHBondContact O-N 3.32Å; G157-Q159 PolarHBondContact O-N 2.84Å
158D54.6Low64.8Low131 Ų13185.2 Ų85.270%0.70146%0.461SS*.  trans-39.7129.2-173.7-56.1-50.7000110.5S160 G161D158-S160 PolarHBondContact O-N 2.7Å; D158-G161 PolarHBondContact O-N 3.33Å
159Q59.6Low65Low170 Ų17087.2 Ų87.279%0.79449%0.487SS*.THydrogen-bonded Turntrans-55.1-5.8-170-70.7167-25.400114.5G157G157-Q159 PolarHBondContact O-N 2.84Å
160S65.3Low65.6Low62 Ų6278.7 Ų78.743%0.43446%0.456SS..THydrogen-bonded Turntrans-99.72.2177.854.30000115.2D158 G169D158-S160 PolarHBondContact O-N 2.7Å; S160-G169 PolarHBondContact O-N 3.07Å
161G66.9Low66.3Low15 Ų1583.5 Ų83.516%0.15547%0.469CS..BIsolated β-bridgetrans-94.9144.3-174.400000116D158 Y163D158-G161 PolarHBondContact O-N 3.33Å; G161-Y163 PolarHBondContact O-N 2.78Å
162C72.4Confident67.1Low2 Ų281.2 Ų81.21%0.01446%0.464CS..  trans-70.7117.1168.8175.30000111R164 G166 K167 H170 C175C162-R164 PolarHBondContact O-N 3.21Å; C162-R164 VanDerWaalsContact O-N 3.16Å; C162-R164 PolarHBondContact SG-N 3.06Å; C162-R164 VanDerWaalsContact SG-N 3.43Å; C162-G166 VanDerWaalsContact O-CA 3.25Å; C162-G166 WeakPolarHBondContact O-CA 3.14Å; C162-G166 PolarHBondContact O-N 3.4Å; C162-K167 VanDerWaalsContact CB-O 3.3Å; C162-K167 WeakPolarHBondContact CB-O 3.46Å; C162-K167 PolarHBondContact N-O 2.88Å; C162-H170 VanDerWaalsContact CA-O 3.26Å; C162-H170 WeakPolarHBondContact CA-O 3.48Å; C162-H170 VanDerWaalsContact CB-CD2 3.5Å; C162-H170 WeakPolarHBondContact CB-CD2 3.42Å; C162-H170 VanDerWaalsContact CB-CE1 3.46Å; C162-H170 WeakPolarHBondContact CB-CE1 3.38Å; C162-H170 WeakPolarHBondContact CB-NE2 3.42Å; C162-H170 VanDerWaalsContact CB-O 3.28Å; C162-H170 WeakPolarHBondContact CB-O 3.38Å; C162-H170 PolarHBondContact N-O 3.25Å; C162-H170 VanDerWaalsContact N-O 3.11Å; C162-H170 PolarHBondContact SG-NE2 3.22Å; C162-C175 PolarHBondContact SG-SG 2.82Å
163Y69.5Low67.6Low92 Ų9286.7 Ų86.736%0.36148%0.48SS..THydrogen-bonded Turntrans-67.2-15.7179.6-49.2-68.2000114.3L150 R151 G161 S172L150-Y163 VanDerWaalsContact CD1-C 3.42Å; L150-Y163 WeakPolarHBondContact CD1-O 3.31Å; R151-Y163 HydrophobicContact CG-CD1 4.43Å; G161-Y163 PolarHBondContact O-N 2.78Å; Y163-S172 WeakPolarHBondContact CA-OG 3.47Å; Y163-S172 WeakPolarHBondContact CB-OG 3.47Å; Y163-S172 WeakPolarHBondContact CD2-OG 3.31Å; Y163-S172 PolarHBondContact N-OG 3.36Å
164R69.2Low68.3Low138 Ų13889.7 Ų89.752%0.52148%0.483SS..THydrogen-bonded Turntrans-85.4-46.1178.7-73.7-174.3177.3179.7-2.7113.3L150 C162 S172 C175 D178L150-R164 HydrophobicContact CD1-CB 4.29Å; L150-R164 HydrophobicContact CD1-CG 3.58Å; C162-R164 PolarHBondContact O-N 3.21Å; C162-R164 VanDerWaalsContact O-N 3.16Å; C162-R164 PolarHBondContact SG-N 3.06Å; C162-R164 VanDerWaalsContact SG-N 3.43Å; R164-S172 PolarHBondContact N-OG 2.95Å; R164-C175 HydrophobicContact CB-CB 4.25Å; R164-D178 VanDerWaalsContact CD-OD2 3.23Å; R164-D178 WeakPolarHBondContact CD-OD2 3.39Å; R164-D178 IonicContact CZ-OD1 3.79Å; R164-D178 IonicContact CZ-OD2 3.84Å; R164-D178 IonicContact NE-OD2 3.81Å; R164-D178 IonicContact NH1-OD1 3.88Å; R164-D178 PolarHBondContact NH1-OD1 3.15Å; R164-D178 IonicContact NH1-OD2 3.56Å; R164-D178 PolarHBondContact NH1-OD2 3.01Å
165C74.2Confident69.1Low32 Ų3287.8 Ų87.822%0.21647%0.471CS..THydrogen-bonded Turntrans-107.7-8.8-176.373.70000114.5K167 H170 I177C165-K167 PolarHBondContact O-N 3.42Å; C165-K167 VanDerWaalsContact SG-CB 3.57Å; C165-K167 PolarHBondContact SG-N 3.01Å; C165-K167 VanDerWaalsContact SG-N 3.42Å; C165-H170 PolarHBondContact SG-CE1 3.07Å; C165-H170 PolarHBondContact SG-NE2 2.92Å; C165-H170 VanDerWaalsContact SG-NE2 3.36Å; C165-I177 HydrophobicContact CB-CD1 3.28Å; C165-I177 HydrophobicContact CB-CG1 3.98Å
166G69.8Low69.9Low68 Ų6889.2 Ų89.270%0.70147%0.474SS*.  trans73.3-0.6-177.100000115C162C162-G166 VanDerWaalsContact O-CA 3.25Å; C162-G166 WeakPolarHBondContact O-CA 3.14Å; C162-G166 PolarHBondContact O-N 3.4Å
167K70Confident70.8Confident143 Ų14387.7 Ų87.762%0.62247%0.467SS*.  trans-81.5141.4177.9-57.1-179.8179.9-1740110.9C162 C165C162-K167 VanDerWaalsContact CB-O 3.3Å; C162-K167 WeakPolarHBondContact CB-O 3.46Å; C162-K167 PolarHBondContact N-O 2.88Å; C165-K167 PolarHBondContact O-N 3.42Å; C165-K167 VanDerWaalsContact SG-CB 3.57Å; C165-K167 PolarHBondContact SG-N 3.01Å; C165-K167 VanDerWaalsContact SG-N 3.42Å
168E76.7Confident71.2Confident156 Ų15690.1 Ų90.173%0.72947%0.471SS*.BIsolated β-bridgetrans-69.8162.6168.762-173.8169.600112.4
169G76.7Confident71.5Confident77 Ų7794.2 Ų94.279%0.79448%0.476SS*.SBendtrans92.32.3170.900000116.4S160S160-G169 PolarHBondContact O-N 3.07Å
170H81.4Confident71.5Confident28 Ų2891 Ų9113%0.1347%0.472CS..SBendtrans-155156168.465.5-76.3000110.8C162 C165 E174 C175 P176C162-H170 VanDerWaalsContact CA-O 3.26Å; C162-H170 WeakPolarHBondContact CA-O 3.48Å; C162-H170 VanDerWaalsContact CB-CD2 3.5Å; C162-H170 WeakPolarHBondContact CB-CD2 3.42Å; C162-H170 VanDerWaalsContact CB-CE1 3.46Å; C162-H170 WeakPolarHBondContact CB-CE1 3.38Å; C162-H170 WeakPolarHBondContact CB-NE2 3.42Å; C162-H170 VanDerWaalsContact CB-O 3.28Å; C162-H170 WeakPolarHBondContact CB-O 3.38Å; C162-H170 PolarHBondContact N-O 3.25Å; C162-H170 VanDerWaalsContact N-O 3.11Å; C162-H170 PolarHBondContact SG-NE2 3.22Å; C165-H170 PolarHBondContact SG-CE1 3.07Å; C165-H170 PolarHBondContact SG-NE2 2.92Å; C165-H170 VanDerWaalsContact SG-NE2 3.36Å; H170-E174 HydrophobicContact CB-CB 4.19Å; H170-C175 VanDerWaalsContact CD2-CA 3.4Å; H170-C175 WeakPolarHBondContact CD2-CA 3.49Å; H170-C175 WeakPolarHBondContact NE2-CA 3.49Å; H170-C175 PolarHBondContact NE2-SG 3.32Å; H170-C175 VanDerWaalsContact NE2-SG 3.44Å; H170-P176 VanDerWaalsContact NE2-CD 3.31Å; H170-P176 WeakPolarHBondContact NE2-CD 3.5Å
171W75.1Confident70.9Confident166 Ų16691 Ų9163%0.62948%0.483SS*.  trans-86.6160.3173.2-71.3-1.2000111.3K173 E174 C175W171-K173 PolarHBondContact O-N 3.46Å; W171-E174 WeakPolarHBondContact O-CA 3.3Å; W171-E174 PolarHBondContact O-N 2.97Å; W171-C175 PolarHBondContact O-N 3.01Å
172S76.6Confident70Confident19 Ų19101.1 Ų101.113%0.13352%0.516CS..G310 helixtrans-52-25.7179.9-63.80000115.1Y163 R164 E174Y163-S172 WeakPolarHBondContact CA-OG 3.47Å; Y163-S172 WeakPolarHBondContact CB-OG 3.47Å; Y163-S172 WeakPolarHBondContact CD2-OG 3.31Å; Y163-S172 PolarHBondContact N-OG 3.36Å; R164-S172 PolarHBondContact N-OG 2.95Å; S172-E174 VanDerWaalsContact C-N 3.28Å
173K74Confident68.6Low200 Ų200106.9 Ų106.987%0.8755%0.551SS**G310 helixtrans-71-24.5176.7-64.1-175.4179-177.90113W171W171-K173 PolarHBondContact O-N 3.46Å
174E75.6Confident67Low126 Ų126107.5 Ų107.559%0.58958%0.575SS**G310 helixtrans-107.116.5-177.2-67.7166.4-146.300111.4H170 W171 S172 P176H170-E174 HydrophobicContact CB-CB 4.19Å; W171-E174 WeakPolarHBondContact O-CA 3.3Å; W171-E174 PolarHBondContact O-N 2.97Å; S172-E174 VanDerWaalsContact C-N 3.28Å; E174-P176 VanDerWaalsContact O-CD 3.24Å; E174-P176 WeakPolarHBondContact O-CD 3.45Å
175C77Confident65.7Low3 Ų3106.7 Ų106.72%0.0258%0.581CS.*  trans-64.5120.5-174.5-164.60000112.1C162 R164 H170 W171 I177 D178C162-C175 PolarHBondContact SG-SG 2.82Å; R164-C175 HydrophobicContact CB-CB 4.25Å; H170-C175 VanDerWaalsContact CD2-CA 3.4Å; H170-C175 WeakPolarHBondContact CD2-CA 3.49Å; H170-C175 WeakPolarHBondContact NE2-CA 3.49Å; H170-C175 PolarHBondContact NE2-SG 3.32Å; H170-C175 VanDerWaalsContact NE2-SG 3.44Å; W171-C175 PolarHBondContact O-N 3.01Å; C175-I177 PolarHBondContact O-N 3.27Å; C175-I177 VanDerWaalsContact O-N 3.11Å; C175-D178 PolarHBondContact O-N 2.75Å; C175-D178 VanDerWaalsContact O-N 3.09Å
176P78.4Confident64.1Low69 Ų69112.9 Ų112.945%0.44861%0.611SS.*Hα-helixtrans-61.2-22.6178-22.933.2000113.2H170 E174 D178 R179 S180H170-P176 VanDerWaalsContact NE2-CD 3.31Å; H170-P176 WeakPolarHBondContact NE2-CD 3.5Å; E174-P176 VanDerWaalsContact O-CD 3.24Å; E174-P176 WeakPolarHBondContact O-CD 3.45Å; P176-D178 VanDerWaalsContact C-N 3.28Å; P176-D178 PolarHBondContact O-N 3.27Å; P176-R179 PolarHBondContact O-N 3.08Å; P176-S180 WeakPolarHBondContact O-CB 3.32Å; P176-S180 PolarHBondContact O-N 2.96Å; P176-S180 PolarHBondContact O-OG 3.35Å
177I71.8Confident62.8Low105 Ų105116.3 Ų116.354%0.53862%0.619SS.*Hα-helixtrans-62-36.4176.9-59.3-168.8000111.1C165 C175C165-I177 HydrophobicContact CB-CD1 3.28Å; C165-I177 HydrophobicContact CB-CG1 3.98Å; C175-I177 PolarHBondContact O-N 3.27Å; C175-I177 VanDerWaalsContact O-N 3.11Å
178D61.2Low61.4Low91 Ų91118.5 Ų118.549%0.48763%0.631SS.*Hα-helixtrans-76.3-35.5176.8-82.2-100.3000112.7R164 C175 P176 S180R164-D178 VanDerWaalsContact CD-OD2 3.23Å; R164-D178 WeakPolarHBondContact CD-OD2 3.39Å; R164-D178 IonicContact CZ-OD1 3.79Å; R164-D178 IonicContact CZ-OD2 3.84Å; R164-D178 IonicContact NE-OD2 3.81Å; R164-D178 IonicContact NH1-OD1 3.88Å; R164-D178 PolarHBondContact NH1-OD1 3.15Å; R164-D178 IonicContact NH1-OD2 3.56Å; R164-D178 PolarHBondContact NH1-OD2 3.01Å; C175-D178 PolarHBondContact O-N 2.75Å; C175-D178 VanDerWaalsContact O-N 3.09Å; P176-D178 VanDerWaalsContact C-N 3.28Å; P176-D178 PolarHBondContact O-N 3.27Å; D178-S180 VanDerWaalsContact C-N 3.3Å; D178-S180 PolarHBondContact O-N 3.43Å
179R60.1Low59.6Low216 Ų216120 Ų12082%0.81564%0.638SS**Hα-helixtrans-68.2-30.3176.1-81.1-171.6175.3-159.1-0.4112.6P176 G181P176-R179 PolarHBondContact O-N 3.08Å; R179-G181 VanDerWaalsContact C-N 3.29Å; R179-G181 PolarHBondContact O-N 2.98Å
180S60.5Low57.5Low102 Ų102127.4 Ų127.471%0.71364%0.644SS**THydrogen-bonded Turntrans-82.9-2.3-175.1-51.20000114P176 D178P176-S180 WeakPolarHBondContact O-CB 3.32Å; P176-S180 PolarHBondContact O-N 2.96Å; P176-S180 PolarHBondContact O-OG 3.35Å; D178-S180 VanDerWaalsContact C-N 3.3Å; D178-S180 PolarHBondContact O-N 3.43Å
181G52.7Low55.5Low64 Ų64133.6 Ų133.666%0.6668%0.678SS**THydrogen-bonded Turntrans-96.3-9.5-177.100000116R179R179-G181 VanDerWaalsContact C-N 3.29Å; R179-G181 PolarHBondContact O-N 2.98Å
182R47.7Very low53.9Low227 Ų227135 Ų13586%0.85769%0.691SS**SBendtrans-131.790.6167.9-76.5-149.6-129.1-165.55110.1
183V42.5Very low52.3Low122 Ų122141.3 Ų141.374%0.73972%0.719SS**  trans33.5106.4145.7-165.60000115.4D185V183-D185 HydrophobicContact CG1-CB 4.3Å; V183-D185 PolarHBondContact O-N 3.48Å; V183-D185 VanDerWaalsContact O-N 3.08Å
184A35.7Very low50.6Low105 Ų105142 Ų14287%0.86872%0.717SS**  trans-50.7108.2151.800000109.5
185D42.8Very low48.7Very low122 Ų122139.5 Ų139.565%0.65273%0.726SS**  trans-140.392.4168.2-147.72.3000109.4V183 T187V183-D185 HydrophobicContact CG1-CB 4.3Å; V183-D185 PolarHBondContact O-N 3.48Å; V183-D185 VanDerWaalsContact O-N 3.08Å; D185-T187 PolarHBondContact O-N 2.93Å
186L39.5Very low46.8Very low162 Ų162144 Ų14485%0.84876%0.763SS**  trans30.677.7151.1-72.5114.4000119
187T42.2Very low44.7Very low139 Ų139147.5 Ų147.585%0.85378%0.783SS**  trans-139.836.4156.9-28.10000113.9D185D185-T187 PolarHBondContact O-N 2.93Å
188E41.3Very low42.9Very low190 Ų190153.6 Ų153.689%0.88880%0.799SS**SBendtrans-12470.7165.1-75.4-174.9136.400109
189Q39.5Very low42Very low187 Ų187155.6 Ų155.687%0.87482%0.815SS**SBendtrans-167.27.3156.6-124.3177.2-39.800119
190Y31.4Very low40.9Very low232 Ų232150.8 Ų150.891%0.9181%0.812SS**  trans-146.967.8-172.6-125.5-92.7000114.1
191N39.9Very low39.8Very low158 Ų158156.5 Ų156.585%0.84582%0.819SS**  trans-157.144.6156.8-129.8-1.8000114.5
192E42.1Very low39.3Very low195 Ų195159.2 Ų159.291%0.91182%0.823SS**  trans-120.163.2164-84.1-172.910600109.7
193Q42.5Very low38.7Very low152 Ų152156.8 Ų156.871%0.7182%0.824SS**SBendtrans-163.5126.5157.4-142.8157.2-72.900110
194Y39.2Very low38.4Very low214 Ų214156.4 Ų156.484%0.83983%0.826SS**  trans74.8106-174.2-54.8-84.3000113.3
195G35.6Very low38.3Very low75 Ų75162 Ų16277%0.77383%0.827SS**  cis109.69545.300000107.7
196A37Very low38Very low97 Ų97159.9 Ų159.980%0.80283%0.834SS**  trans25.6121.7152.800000118.8
197V34.7Very low37.6Very low143 Ų143159.7 Ų159.787%0.86783%0.834SS**  -160128.7115.4170.80000108.7
198R32.9Very low37.4Very low232 Ų232158.1 Ų158.188%0.87583%0.828SS**  trans-78.6140.9171.8-72.1172128.3-152.10.3111
199T42.4Very low37.2Very low134 Ų134156.4 Ų156.482%0.82282%0.824SS**  trans-148.3127.2141.951.30000110.8
200P36.8Very low37.1Very low114 Ų114156.7 Ų156.774%0.7482%0.819SS**  trans-94.2179.5173.137.2-30.3000112.3
201Y37Very low37.2Very low222 Ų222155.4 Ų155.487%0.87181%0.814SS**  trans81.2131.9-179.7-90-115.7000113.8
202T42.3Very low37Very low122 Ų122155 Ų15575%0.74881%0.812SS**  cis-159.6160.822.646.20000113.2
203M34.7Very low36.7Very low175 Ų175153.6 Ų153.686%0.86281%0.81SS**  trans-31.4146.6166.5-54.2-166.380.200119
204S37.3Very low36.7Very low114 Ų114150.5 Ų150.580%0.79781%0.811SS**  158.4144.6107.1-169.90000112.9
205Y33.6Very low36.8Very low223 Ų223150.3 Ų150.388%0.87581%0.81SS**  trans-37.8146.9-177.2-89.2-105.8000121.1
206G36Very low37.1Very low77 Ų77150.1 Ų150.179%0.79481%0.808SS**  trans94.4143.4152.800000114.6
207D32.2Very low37.6Very low159 Ų159149.2 Ų149.285%0.8580%0.801SS**  cis-170.6152.5-7.1-1749.8000105.7
208S36.4Very low38Very low105 Ų105147.4 Ų147.473%0.73479%0.785SS**  trans59.899.4157.3-151.50000121.1
209L37.4Very low38.4Very low155 Ų155140.8 Ų140.881%0.81277%0.767SS**  trans-91.6122.5162.5-81.4170.3000111.4
210Y36.8Very low38.8Very low192 Ų192137.4 Ų137.475%0.75375%0.754SS**  69.7124.9123.1-90.4-127.7000122.6
211Y35.5Very low39Very low205 Ų205139.3 Ų139.380%0.80475%0.747SS**  trans8582.6148.4-88.2-100.7000121.4
212N34Very low39.2Very low150 Ų150134.9 Ų134.980%0.80273%0.729SS**  trans-91.4134.9142.5-87.4-72.2000109.3
213N36.9Very low39.5Very low165 Ų165135.7 Ų135.788%0.88272%0.723SS**  trans145.159.4150.6-74.8-21.8000114.6
214A41.5Very low40.2Very low88 Ų88137 Ų13773%0.72772%0.718SS**SBendtrans-140.7-1.6163.900000115.2
215Y41.2Very low40.5Very low209 Ų209134 Ų13482%0.8270%0.697SS**THydrogen-bonded Turntrans-89.8-0.4-169.9-96.1-89.5000116
216G41.4Very low41.3Very low71 Ų71133.3 Ų133.373%0.73269%0.692SS**Hα-helixtrans-77-19.5179.100000115.3
217A47.7Very low42.2Very low78 Ų78132.2 Ų132.265%0.64568%0.676SS**Hα-helixtrans-88.6-20-173.900000114.1
218L43.4Very low43.2Very low105 Ų105126.9 Ų126.955%0.5565%0.654SS.*Hα-helixtrans-80-31.4-176.5-134.590.2000112.9A220 Y221 Y222L218-A220 VanDerWaalsContact C-N 3.31Å; L218-A220 PolarHBondContact O-N 3.11Å; L218-Y221 PolarHBondContact O-N 3.42Å; L218-Y222 HydrophobicContact CD2-CE2 4.24Å; L218-Y222 PolarHBondContact O-N 3.11Å
219D42.3Very low43.9Very low93 Ų93131.4 Ų131.450%0.49766%0.655SS.*Hα-helixtrans-66-34.8177.6-16664.7000111.8K223D219-K223 PolarHBondContact O-N 3.07Å; D219-K223 VanDerWaalsContact O-N 3.11Å; D219-K223 WeakPolarHBondContact OD2-CE 3.43Å; D219-K223 IonicContact OD2-NZ 3.7Å; D219-K223 PolarHBondContact OD2-NZ 3.09Å
220A49.4Very low44.8Very low64 Ų64127.1 Ų127.153%0.52964%0.638SS.*Hα-helixtrans-67.7-33.2175.400000112.7L218 R224L218-A220 VanDerWaalsContact C-N 3.31Å; L218-A220 PolarHBondContact O-N 3.11Å; A220-R224 WeakPolarHBondContact O-CB 3.26Å; A220-R224 PolarHBondContact O-N 2.98Å
221Y41.3Very low45.7Very low154 Ų154126.3 Ų126.360%0.60464%0.635SS**Hα-helixtrans-69.2-44.9176.7-178.3-98.6000111.7L218 R224 C225L218-Y221 PolarHBondContact O-N 3.42Å; Y221-R224 PolarHBondContact O-N 2.96Å; Y221-C225 PolarHBondContact O-N 2.93Å; Y221-C225 PolarHBondContact O-SG 3.09Å; Y221-C225 VanDerWaalsContact O-SG 3.4Å
222Y42.5Very low46.6Very low128 Ų128122.9 Ų122.950%0.50263%0.626SS.*Hα-helixtrans-71.2-35.4-179.8-86.6-82.2000113.6L218 R224 C225 R226L218-Y222 HydrophobicContact CD2-CE2 4.24Å; L218-Y222 PolarHBondContact O-N 3.11Å; Y222-R224 VanDerWaalsContact C-N 3.3Å; Y222-R224 PolarHBondContact O-N 3.37Å; Y222-C225 PolarHBondContact O-N 3.4Å; Y222-R226 PolarHBondContact O-N 3.26Å
223K48.3Very low47.6Very low140 Ų140118.7 Ų118.761%0.60961%0.612SS**Hα-helixtrans-62.7-37.6169.7-83.2172.1178.4150.40111.9D219 R226 A227D219-K223 PolarHBondContact O-N 3.07Å; D219-K223 VanDerWaalsContact O-N 3.11Å; D219-K223 WeakPolarHBondContact OD2-CE 3.43Å; D219-K223 IonicContact OD2-NZ 3.7Å; D219-K223 PolarHBondContact OD2-NZ 3.09Å; K223-R226 PolarHBondContact O-N 3.2Å; K223-A227 WeakPolarHBondContact O-CB 3.4Å; K223-A227 PolarHBondContact O-N 3.25Å; K223-A227 VanDerWaalsContact O-N 3.07Å
224R49.4Very low48.6Very low203 Ų203115.5 Ų115.577%0.76660%0.599SS**Hα-helixtrans-68.6-38.6176.7-163.6167.6-173.6174.30.7112.6A220 Y221 Y222 A228A220-R224 WeakPolarHBondContact O-CB 3.26Å; A220-R224 PolarHBondContact O-N 2.98Å; Y221-R224 PolarHBondContact O-N 2.96Å; Y222-R224 VanDerWaalsContact C-N 3.3Å; Y222-R224 PolarHBondContact O-N 3.37Å; R224-A228 WeakPolarHBondContact O-CB 3.41Å; R224-A228 PolarHBondContact O-N 2.88Å
225C43.9Very low49.4Very low51 Ų51113.5 Ų113.535%0.34558%0.582SS.*Hα-helixtrans-70.3-34.3175.6-67.70000113.4Y221 Y222 A228 R229Y221-C225 PolarHBondContact O-N 2.93Å; Y221-C225 PolarHBondContact O-SG 3.09Å; Y221-C225 VanDerWaalsContact O-SG 3.4Å; Y222-C225 PolarHBondContact O-N 3.4Å; C225-A228 PolarHBondContact O-N 3.47Å; C225-R229 PolarHBondContact O-N 2.95Å; C225-R229 VanDerWaalsContact O-N 3.16Å
226R49.9Very low50.2Low207 Ų207106.5 Ų106.578%0.78157%0.567SS**Hα-helixtrans-69.7-38.2174.9-164.2174.4-176.1155.50111.7Y222 K223 S230Y222-R226 PolarHBondContact O-N 3.26Å; K223-R226 PolarHBondContact O-N 3.2Å; R226-S230 PolarHBondContact O-N 3.14Å; R226-S230 PolarHBondContact O-OG 3.4Å
227A54.3Low51Low55 Ų55105.6 Ų105.646%0.45555%0.553SS.*Hα-helixtrans-67.6-36.4173.500000112.8K223 S230 Y231K223-A227 WeakPolarHBondContact O-CB 3.4Å; K223-A227 PolarHBondContact O-N 3.25Å; K223-A227 VanDerWaalsContact O-N 3.07Å; A227-S230 WeakPolarHBondContact CA-OG 3.48Å; A227-S230 PolarHBondContact O-N 3.36Å; A227-S230 PolarHBondContact O-OG 3.2Å; A227-Y231 PolarHBondContact O-N 3.38Å
228A54.4Low51.5Low47 Ų47104.1 Ų104.139%0.38854%0.541SS..Hα-helixtrans-64.5-43.8175.500000112.1R224 C225 S230 Y231 E232R224-A228 WeakPolarHBondContact O-CB 3.41Å; R224-A228 PolarHBondContact O-N 2.88Å; C225-A228 PolarHBondContact O-N 3.47Å; A228-S230 VanDerWaalsContact C-N 3.34Å; A228-S230 PolarHBondContact O-N 3.07Å; A228-Y231 PolarHBondContact O-N 3.33Å; A228-Y231 VanDerWaalsContact O-N 3.15Å; A228-E232 PolarHBondContact O-N 2.87Å
229R51.1Low52.4Low200 Ų200101.3 Ų101.376%0.75553%0.532SS*.Hα-helixtrans-64.6-34.3175.4-80.1-177.1166.1-161.8-4.6113.4C225 A233C225-R229 PolarHBondContact O-N 2.95Å; C225-R229 VanDerWaalsContact O-N 3.16Å; R229-A233 WeakPolarHBondContact O-CB 3.47Å; R229-A233 PolarHBondContact O-N 2.76Å; R229-A233 VanDerWaalsContact O-N 3.15Å
230S56.5Low53.5Low64 Ų64100.2 Ų100.245%0.44853%0.532SS..Hα-helixtrans-70.9-33.5172.751.90000112.5R226 A227 A228 V234R226-S230 PolarHBondContact O-N 3.14Å; R226-S230 PolarHBondContact O-OG 3.4Å; A227-S230 WeakPolarHBondContact CA-OG 3.48Å; A227-S230 PolarHBondContact O-N 3.36Å; A227-S230 PolarHBondContact O-OG 3.2Å; A228-S230 VanDerWaalsContact C-N 3.34Å; A228-S230 PolarHBondContact O-N 3.07Å; S230-V234 WeakPolarHBondContact O-CG2 3.4Å; S230-V234 PolarHBondContact O-N 2.92Å
231Y55.1Low54.1Low175 Ų175102 Ų10269%0.68654%0.536SS*.Hα-helixtrans-70.7-41.5176.2-177.8-99000112A227 A228 A233 V234 A235A227-Y231 PolarHBondContact O-N 3.38Å; A228-Y231 PolarHBondContact O-N 3.33Å; A228-Y231 VanDerWaalsContact O-N 3.15Å; Y231-A233 VanDerWaalsContact C-N 3.34Å; Y231-A233 PolarHBondContact O-N 2.85Å; Y231-V234 PolarHBondContact O-N 3.4Å; Y231-A235 VanDerWaalsContact O-CB 3.26Å; Y231-A235 WeakPolarHBondContact O-CB 3.38Å; Y231-A235 PolarHBondContact O-N 3.05Å
232E54.7Low54.9Low133 Ų133103.2 Ų103.262%0.62154%0.541SS*.Hα-helixtrans-62-39.8173.5-77.3174.8170.900112.1A228 A235 A236A228-E232 PolarHBondContact O-N 2.87Å; E232-A235 PolarHBondContact O-N 3Å; E232-A236 VanDerWaalsContact O-CB 3.29Å; E232-A236 WeakPolarHBondContact O-CB 3.24Å; E232-A236 PolarHBondContact O-N 2.98Å
233A54.5Low55.8Low62 Ų62101.4 Ų101.451%0.51254%0.54SS..Hα-helixtrans-66.3-40.417600000112.6R229 Y231 A237R229-A233 WeakPolarHBondContact O-CB 3.47Å; R229-A233 PolarHBondContact O-N 2.76Å; R229-A233 VanDerWaalsContact O-N 3.15Å; Y231-A233 VanDerWaalsContact C-N 3.34Å; Y231-A233 PolarHBondContact O-N 2.85Å; A233-A237 WeakPolarHBondContact O-CB 3.35Å; A233-A237 PolarHBondContact O-N 2.91Å
234V57.8Low56.4Low99 Ų99102.5 Ų102.560%0.654%0.541SS*.Hα-helixtrans-70.6-37.3176.2175.10000111.2S230 Y231 A237 A238S230-V234 WeakPolarHBondContact O-CG2 3.4Å; S230-V234 PolarHBondContact O-N 2.92Å; Y231-V234 PolarHBondContact O-N 3.4Å; V234-A237 PolarHBondContact O-N 2.92Å; V234-A238 WeakPolarHBondContact O-CB 3.39Å; V234-A238 PolarHBondContact O-N 3.14Å
235A58.7Low56.7Low46 Ų4695 Ų9538%0.3852%0.522SS..Hα-helixtrans-67-39.917500000112Y231 E232 A238 A239Y231-A235 VanDerWaalsContact O-CB 3.26Å; Y231-A235 WeakPolarHBondContact O-CB 3.38Å; Y231-A235 PolarHBondContact O-N 3.05Å; E232-A235 PolarHBondContact O-N 3Å; A235-A238 PolarHBondContact O-N 3.02Å; A235-A239 VanDerWaalsContact O-CB 3.3Å; A235-A239 WeakPolarHBondContact O-CB 2.99Å; A235-A239 PolarHBondContact O-N 3.4Å
236A58.5Low57.6Low61 Ų6199 Ų9950%0.50454%0.536SS..Hα-helixtrans-65.5-40.717400000111.9E232 A239 S240E232-A236 VanDerWaalsContact O-CB 3.29Å; E232-A236 WeakPolarHBondContact O-CB 3.24Å; E232-A236 PolarHBondContact O-N 2.98Å; A236-A239 PolarHBondContact O-N 3.13Å; A236-S240 PolarHBondContact O-N 2.8Å
237A57.3Low58Low52 Ų5295.1 Ų95.143%0.4353%0.527SS..Hα-helixtrans-64.4-43.917400000111.6A233 V234 A239 S240 V241A233-A237 WeakPolarHBondContact O-CB 3.35Å; A233-A237 PolarHBondContact O-N 2.91Å; V234-A237 PolarHBondContact O-N 2.92Å; A237-A239 VanDerWaalsContact C-N 3.34Å; A237-A239 PolarHBondContact O-N 3.46Å; A237-S240 PolarHBondContact O-N 2.73Å; A237-S240 PolarHBondContact O-OG 2.86Å; A237-V241 WeakPolarHBondContact O-CG2 3.41Å; A237-V241 PolarHBondContact O-N 3.43Å
238A57.4Low58.2Low48 Ų4895.9 Ų95.940%0.39753%0.526SS..Hα-helixtrans-62.8-39.8174.700000112V234 A235 V241 Y242V234-A238 WeakPolarHBondContact O-CB 3.39Å; V234-A238 PolarHBondContact O-N 3.14Å; A235-A238 PolarHBondContact O-N 3.02Å; A238-V241 PolarHBondContact O-N 2.9Å; A238-Y242 PolarHBondContact O-N 3.2Å
239A62.7Low58.3Low45 Ų4599.7 Ų99.737%0.37254%0.539SS..Hα-helixtrans-65.4-36.1175.100000112.2A235 A236 A237 V241 Y242 N243A235-A239 VanDerWaalsContact O-CB 3.3Å; A235-A239 WeakPolarHBondContact O-CB 2.99Å; A235-A239 PolarHBondContact O-N 3.4Å; A236-A239 PolarHBondContact O-N 3.13Å; A237-A239 VanDerWaalsContact C-N 3.34Å; A237-A239 PolarHBondContact O-N 3.46Å; A239-V241 VanDerWaalsContact C-N 3.35Å; A239-Y242 PolarHBondContact O-N 3.4Å; A239-N243 WeakPolarHBondContact O-CB 3.27Å; A239-N243 PolarHBondContact O-N 3.32Å; A239-N243 PolarHBondContact O-ND2 3.4Å
240S66.3Low58.6Low71 Ų7194.6 Ų94.650%0.49753%0.534SS..Hα-helixtrans-67.4-34.9173.671.40000112.6A236 A237 Y244A236-S240 PolarHBondContact O-N 2.8Å; A237-S240 PolarHBondContact O-N 2.73Å; A237-S240 PolarHBondContact O-OG 2.86Å; S240-Y244 WeakPolarHBondContact O-CB 3.1Å; S240-Y244 PolarHBondContact O-N 2.82Å
241V62.1Low58.3Low100 Ų10099.2 Ų99.261%0.60655%0.549SS*.Hα-helixtrans-69.7-40.3176173.90000110.6A237 A238 A239 A245A237-V241 WeakPolarHBondContact O-CG2 3.41Å; A237-V241 PolarHBondContact O-N 3.43Å; A238-V241 PolarHBondContact O-N 2.9Å; A239-V241 VanDerWaalsContact C-N 3.35Å; V241-A245 WeakPolarHBondContact O-CB 3.45Å; V241-A245 PolarHBondContact O-N 3.15Å
242Y57.4Low57.7Low181 Ų18196.7 Ų96.771%0.7155%0.547SS*.Hα-helixtrans-65.8-43.1174.5-97.2-81.4000112.8A238 A239 A245 E246A238-Y242 PolarHBondContact O-N 3.2Å; A239-Y242 PolarHBondContact O-N 3.4Å; Y242-A245 PolarHBondContact O-N 3.42Å; Y242-E246 PolarHBondContact O-N 2.75Å
243N61.8Low57.2Low89 Ų8995.7 Ų95.748%0.47655%0.552SS.*Hα-helixtrans-66.2-37.7176.5-83.5-76.6000112.4A239 E246 Q247A239-N243 WeakPolarHBondContact O-CB 3.27Å; A239-N243 PolarHBondContact O-N 3.32Å; A239-N243 PolarHBondContact O-ND2 3.4Å; N243-E246 PolarHBondContact O-N 2.94Å; N243-Q247 WeakPolarHBondContact O-CG 3.42Å; N243-Q247 PolarHBondContact O-N 3.37Å; N243-Q247 VanDerWaalsContact O-N 3.09Å
244Y60.1Low56.7Low164 Ų164101.6 Ų101.664%0.64357%0.568SS**Hα-helixtrans-65.2-40.7174.5-171.6-96.1000111.3S240 Q247 T248S240-Y244 WeakPolarHBondContact O-CB 3.1Å; S240-Y244 PolarHBondContact O-N 2.82Å; Y244-Q247 PolarHBondContact O-N 3.05Å; Y244-T248 HydrophobicContact CD1-CG2 4.28Å; Y244-T248 HydrophobicContact CE1-CG2 3.96Å; Y244-T248 WeakPolarHBondContact O-CG2 3.39Å; Y244-T248 PolarHBondContact O-N 3.33Å; Y244-T248 VanDerWaalsContact O-N 3.08Å; Y244-T248 PolarHBondContact O-OG1 3.44Å
245A57.2Low56.1Low44 Ų44102.4 Ų102.436%0.36457%0.573SS.*Hα-helixtrans-62.9-43.5175.900000112.4V241 Y242 T248 L249V241-A245 WeakPolarHBondContact O-CB 3.45Å; V241-A245 PolarHBondContact O-N 3.15Å; Y242-A245 PolarHBondContact O-N 3.42Å; A245-T248 PolarHBondContact O-N 3.42Å; A245-T248 PolarHBondContact O-OG1 2.76Å; A245-L249 PolarHBondContact O-N 3.13Å
246E60.8Low55.2Low137 Ų137108.4 Ų108.464%0.6459%0.594SS**Hα-helixtrans-62.8-41.5175.6-83.2-163.9133.900112.9Y242 N243 T248 L249 S250Y242-E246 PolarHBondContact O-N 2.75Å; N243-E246 PolarHBondContact O-N 2.94Å; E246-T248 VanDerWaalsContact C-N 3.3Å; E246-T248 PolarHBondContact O-N 2.99Å; E246-L249 PolarHBondContact O-N 3.15Å; E246-S250 PolarHBondContact O-N 3.35Å; E246-S250 VanDerWaalsContact O-N 3.08Å
247Q59.8Low54.5Low124 Ų124112.7 Ų112.758%0.57961%0.608SS**Hα-helixtrans-62.7-37.4176.1-73.6177.97.800111.8N243 Y244 S250N243-Q247 WeakPolarHBondContact O-CG 3.42Å; N243-Q247 PolarHBondContact O-N 3.37Å; N243-Q247 VanDerWaalsContact O-N 3.09Å; Y244-Q247 PolarHBondContact O-N 3.05Å; Q247-S250 PolarHBondContact O-OG 3.13Å
248T58Low53.6Low72 Ų72116.8 Ų116.844%0.44263%0.628SS.*Hα-helixtrans-74.6-30.3176.259.90000113.9Y244 A245 E246 S250Y244-T248 HydrophobicContact CD1-CG2 4.28Å; Y244-T248 HydrophobicContact CE1-CG2 3.96Å; Y244-T248 WeakPolarHBondContact O-CG2 3.39Å; Y244-T248 PolarHBondContact O-N 3.33Å; Y244-T248 VanDerWaalsContact O-N 3.08Å; Y244-T248 PolarHBondContact O-OG1 3.44Å; A245-T248 PolarHBondContact O-N 3.42Å; A245-T248 PolarHBondContact O-OG1 2.76Å; E246-T248 VanDerWaalsContact C-N 3.3Å; E246-T248 PolarHBondContact O-N 2.99Å; T248-S250 VanDerWaalsContact C-N 3.35Å
249L56.6Low52.8Low127 Ų127119 Ų11967%0.66565%0.646SS**Hα-helixtrans-74.2-27176.4-129.482.2000112.6A245 E246 Q251 L252A245-L249 PolarHBondContact O-N 3.13Å; E246-L249 PolarHBondContact O-N 3.15Å; L249-Q251 PolarHBondContact O-N 3.26Å; L249-L252 HydrophobicContact CG-CD1 4.47Å
250S56.9Low51.8Low93 Ų93125.5 Ų125.565%0.6567%0.671SS**THydrogen-bonded Turntrans-73.6-8.317872.20000114.6E246 Q247 T248E246-S250 PolarHBondContact O-N 3.35Å; E246-S250 VanDerWaalsContact O-N 3.08Å; Q247-S250 PolarHBondContact O-OG 3.13Å; T248-S250 VanDerWaalsContact C-N 3.35Å
251Q49.5Very low50.2Low161 Ų161126.2 Ų126.275%0.75268%0.681SS**THydrogen-bonded Turntrans-103.115179.4-64.6-169.918.400114.1L249L249-Q251 PolarHBondContact O-N 3.26Å
252L44.5Very low49.1Very low122 Ų122126.1 Ų126.164%0.63969%0.685SS**  trans-71.7128.8174.1-74.3170.2000111.2L249 Q254L249-L252 HydrophobicContact CG-CD1 4.47Å; L252-Q254 PolarHBondContact O-N 2.77Å
253P44.2Very low48.4Very low112 Ų112124.9 Ų124.973%0.72769%0.685SS**  trans-61.5124.2177.3-18.429.7000111V255P253-V255 PolarHBondContact O-N 2.68Å
254Q43.1Very low47.4Very low185 Ų185127 Ų12786%0.86470%0.696SS**  trans-65.695.1171.5-70.1-81.9-45.100109.3L252 Q256L252-Q254 PolarHBondContact O-N 2.77Å; Q254-Q256 PolarHBondContact O-N 2.93Å
255V45.7Very low46.4Very low116 Ų116125.4 Ų125.470%0.70370%0.703SS**  trans-79.1101.1170.6-1760000108.1P253 N257P253-V255 PolarHBondContact O-N 2.68Å; V255-N257 PolarHBondContact O-N 3.39Å
256Q39.1Very low45.7Very low173 Ų173127.8 Ų127.881%0.80872%0.717SS**  trans-67.5104.9170.2-70.5178.7-44.600109.4Q254Q254-Q256 PolarHBondContact O-N 2.93Å
257N44.1Very low44.9Very low150 Ų150127.5 Ų127.580%0.80273%0.725SS**  trans-110.595.7166.2-90.9-10.1000109.9V255V255-N257 PolarHBondContact O-N 3.39Å
258T37.7Very low43.9Very low139 Ų139126 Ų12685%0.85373%0.728SS**  trans-84.610616446.20000109.3
259A41.6Very low43.3Very low93 Ų93129.7 Ų129.777%0.76974%0.744SS**  trans-159.8100.6160.100000111.9
260M40.3Very low42.7Very low183 Ų183130.1 Ų130.190%0.90175%0.747SS**  trans42.1104.1136-57.3-65.4179.100119.8
261A32.9Very low41.8Very low85 Ų85130.7 Ų130.770%0.70275%0.749SS**  48.6120.4119.900000120.8
262S38.7Very low41.2Very low99 Ų99133.6 Ų133.669%0.69275%0.754SS**  108.4132.2123.371.90000119.4
263H43.5Very low41.2Very low155 Ų155134.6 Ų134.672%0.71876%0.761SS**  trans103.9105.1153-67.9-71.4000120.7
264L40.7Very low40.8Very low134 Ų134140.7 Ų140.770%0.70277%0.769SS**  87.4106.2124.9-65.4171000117.9
265T38.8Very low40.9Very low130 Ų130140.2 Ų140.280%0.79877%0.766SS**  62.3132100.463.70000112.9
266S42.8Very low40.4Very low93 Ų93142.5 Ų142.565%0.6577%0.774SS**  cis-176.2160.324.2-172.50000107.3
267T43.8Very low40.3Very low131 Ų131141.9 Ų141.980%0.80478%0.775SS**  trans62.4144.7150.543.70000118.4
268S38.7Very low40.2Very low92 Ų92139.7 Ų139.764%0.64377%0.769SS**  cis166.8158.4-6174.60000103.4
269L46.4Very low40.2Very low150 Ų150138.9 Ų138.979%0.78576%0.764SS**  trans82.4139.3167.1-43.1171.7000115.5
270D43Very low40.1Very low137 Ų137140.4 Ų140.473%0.73377%0.769SS**  cis-165.1150.9-17.3-122.8-43.9000106Y272D270-Y272 PolarHBondContact O-N 3.44Å
271P39.5Very low40.1Very low104 Ų104135.1 Ų135.168%0.67576%0.761SS**SBendtrans-99.333.3-160.537.2-32.7000116.6
272Y35.9Very low40.2Very low222 Ų222136.1 Ų136.187%0.87177%0.77SS**  trans-144.185.9176.1-77.7-88.3000111.7D270D270-Y272 PolarHBondContact O-N 3.44Å
273D45Very low40.2Very low144 Ų144136.2 Ų136.277%0.7778%0.777SS**  trans-143.9119.1152.6-141.5-32.9000112H275D273-H275 IonicContact OD1-CD2 2.76Å
274R34.7Very low40Very low240 Ų240133.2 Ų133.291%0.90678%0.779SS**  trans-96.1107178.1-112.1-173.3172.4167.5-1.3105.5
275H45.4Very low39.7Very low175 Ų175134 Ų13481%0.8179%0.789SS**  trans-128.8136.1161.4-94.5-73.6000112.6D273D273-H275 IonicContact OD1-CD2 2.76Å
276L36.8Very low39.6Very low164 Ų164132 Ų13286%0.85979%0.786SS**  trans-74.8148.5-170.3-67.9152.5000112.1
277L36.7Very low39.2Very low159 Ų159133 Ų13383%0.83280%0.799SS**  trans-18.7160.1159.4-64.4162.9000116.6
278P42.3Very low38.7Very low104 Ų104131.6 Ų131.668%0.67580%0.802SS**  cis-157-179.636.744.8-22.4000119.5
279T37.9Very low38.4Very low122 Ų122132.2 Ų132.275%0.74881%0.812SS**  trans74.5122.6147.865.90000123.8
280S39.4Very low37.9Very low126 Ų126130.3 Ų130.388%0.88182%0.818SS**  trans96.7133.1134.476.80000119.6
281G39.7Very low37.5Very low71 Ų71128.9 Ų128.973%0.73283%0.825SS**  trans11466.3167.700000113.6
282A35.6Very low37.1Very low106 Ų106129 Ų12988%0.87684%0.835SS**  53.789.490.600000114.2
283A38.7Very low36.9Very low102 Ų102123.3 Ų123.384%0.84383%0.834SS**  trans-173.2144.3145.700000111.2
284A39.6Very low36.5Very low92 Ų92121.4 Ų121.476%0.7684%0.838SS**  trans79.870.616400000118A286A284-A286 PolarHBondContact O-N 3.38Å
285T33.9Very low36.4Very low150 Ų150114.6 Ų114.692%0.9283%0.833SS**  trans-28.3112.6144.647.60000114.8
286A35.2Very low35.7Very low88 Ų88112.8 Ų112.873%0.72783%0.834SS**  trans-139.4115.9167.100000110.5A284 A288A284-A286 PolarHBondContact O-N 3.38Å; A286-A288 PolarHBondContact O-N 2.81Å
287A36Very low35.6Very low113 Ų113111.9 Ų111.993%0.93484%0.836SS**SBendtrans29.483.7145.800000118.7
288A32.3Very low35.4Very low103 Ų103109.4 Ų109.485%0.85184%0.838SS**  trans-158.146.2165.600000113.6A286A286-A288 PolarHBondContact O-N 2.81Å
289A32Very low34.8Very low105 Ų105109 Ų10987%0.86884%0.844SS**  trans-136.787.8-179.500000112
290A35.8Very low34.7Very low110 Ų110108.6 Ų108.691%0.90985%0.846SS**SBendtrans-166.719.7162.600000116.7
291A35.2Very low34.5Very low107 Ų107109.4 Ų109.488%0.88485%0.846SS**SBendtrans-135.728.1-171.400000117.1
292A31.1Very low34.3Very low105 Ų105111.5 Ų111.587%0.86885%0.849SS**  trans-13950-174.700000115.5
293A32.7Very low34.2Very low104 Ų104115.6 Ų115.686%0.8684%0.843SS**  trans-143.475174.400000112.8
294A36.2Very low34.1Very low104 Ų104120.8 Ų120.886%0.8684%0.842SS**SBendtrans-173.258.5159.600000112
295A32Very low34Very low97 Ų97119.7 Ų119.780%0.80284%0.84SS**  trans-16054.5173.100000112.8
296V31.2Very low34.2Very low137 Ų137123.7 Ų123.783%0.8384%0.838SS**  trans-14489168.6-176.20000109
297T34.1Very low34.1Very low145 Ų145126.2 Ų126.289%0.8984%0.839SS**SBendtrans-170.9134.3148.19.90000109.7
298A32.2Very low34.1Very low107 Ų107132.4 Ų132.488%0.88484%0.838SS**  trans78.963.4170.700000118.1
299A29.6Very low34.3Very low96 Ų96132.8 Ų132.879%0.79384%0.835SS**  trans-136.498.2147.300000108.7
300S36.6Very low35Very low113 Ų113133.1 Ų133.179%0.7983%0.828SS**  trans-169138.9159.9-78.10000109.4
301T34.9Very low35.2Very low143 Ų143134.7 Ų134.788%0.87782%0.821SS**  trans91.574.817171.40000118
302S35.2Very low35.6Very low114 Ų114140 Ų14080%0.79782%0.818SS**  trans-158.5100137.354.30000109.8
303Y33.2Very low36Very low192 Ų192145.8 Ų145.875%0.75382%0.817SS**  trans-157.9133.6159.7-134.8-77.7000111.5
304Y37.9Very low36.3Very low212 Ų212145 Ų14583%0.83181%0.81SS**  trans71128.5179.6-54.4-71.2000115.5
305G36.9Very low36.7Very low68 Ų68147.2 Ų147.270%0.70181%0.814SS**  cis166.5142.82.100000109.1
306R37.2Very low37.2Very low234 Ų234147 Ų14788%0.88381%0.811SS**  trans59.2118148-70.6-177.2162.4153.3-3.8121.7
307D33.5Very low38.3Very low141 Ų141145.4 Ų145.475%0.75480%0.804SS**  63.4110.6126-69-70.3000121.3
308R37.1Very low39.3Very low243 Ų243144.7 Ų144.792%0.91780%0.799SS**  146.2113.8120.4-79.9-175.1-177.9-162.5-0.3112.8
309S36.7Very low40.3Very low112 Ų112144.3 Ų144.378%0.78379%0.788SS**  trans-81.2-179.5147.5-44.50000109.1
310P46.1Very low41.1Very low111 Ų111146 Ų14672%0.72179%0.788SS**  cis-137.1-176.9-6.533.2-10.8000114
311L40.6Very low41.6Very low144 Ų144147.6 Ų147.675%0.75479%0.793SS**  trans140.6123.2140-77.7155.6000116.4
312R41.8Very low42.1Very low218 Ų218144.3 Ų144.382%0.82379%0.788SS**  trans51.6132.5140.7-73-174.5-179.9173.60.3119.2
313R40.7Very low42.3Very low226 Ų226148.2 Ų148.285%0.85379%0.793SS**  -173.2127.654.8-117.8170.9-168.5-176.23.5106.4
314A39.5Very low42.8Very low87 Ų87142.7 Ų142.772%0.71980%0.795SS**  55.5112.190.800000116.8
315T43.4Very low42.7Very low152 Ų152143.9 Ų143.993%0.93380%0.8SS**  -174.3125.5123.525.40000111.8
316A44Very low43Very low91 Ų91144.6 Ų144.675%0.75281%0.807SS**  trans-100-158.6162.500000107.9
317P54Low43Very low105 Ų105145.3 Ų145.368%0.68281%0.811SS**  cis-151.4-178.2-0.235.5-9.9000118.7
318V55.4Low43.4Very low129 Ų129141.9 Ų141.978%0.78281%0.81SS**  trans60.3169.4141.3-86.10000124.5
319P52.1Low43.6Very low100 Ų100138 Ų13865%0.64980%0.802SS**  cis-143.8-171.6-39.937-18.5000114.6
320T46.3Very low43.8Very low131 Ų131139.9 Ų139.980%0.80480%0.798SS**  trans134.9143.6143.253.30000112.2
321V47.1Very low43.6Very low146 Ų146138.6 Ų138.689%0.88579%0.792SS**  cis-169.8151.8-3.91440000105.3
322G45.3Very low43.7Very low75 Ų75140.1 Ų140.177%0.77380%0.795SS**  trans14892.2155.900000117.3
323E40Very low43.8Very low195 Ų195137.8 Ų137.891%0.91180%0.798SS**  trans-78160.6172.5-71.2160.7103.100113.9
324G42.7Very low43.8Very low77 Ų77132.3 Ų132.379%0.79480%0.795SS**  trans172.297161.600000114.3
325Y36Very low44Very low237 Ų237137 Ų13793%0.92980%0.801SS**  trans-83.4149.5172-70.5-92.7000112
326G43.7Very low43.9Very low82 Ų82134 Ų13485%0.84579%0.792SS**  trans-163.9109.7165.800000112.7
327Y37Very low43.7Very low249 Ų249134.9 Ų134.998%0.97679%0.792SS**  trans-108.4142.1169.8-114.4-90.9000108.4
328G42.1Very low43.1Very low70 Ų70134.6 Ų134.672%0.72280%0.799SS**  trans169.9105.816900000111
329H41.5Very low42.5Very low161 Ų161133.4 Ų133.475%0.74580%0.803SS**  96.697.595.4-157.3-78.4000110.2
330E40.1Very low42.1Very low152 Ų152132.9 Ų132.971%0.7181%0.807SS**  69.5113.793.4-99.5-162.6120.400114.2
331S42.9Very low41.9Very low84 Ų84138.7 Ų138.759%0.58781%0.814SS**  112136.1123.9-53.70000119.8
332E42.5Very low41.6Very low175 Ų175139.3 Ų139.382%0.81881%0.813SS**  trans79.5112.5152.3-38.4-161.887.400119
333L43.5Very low41.2Very low169 Ų169141 Ų14189%0.88581%0.813SS**  178.8117.897.9-89.4158000111.8
334S40.1Very low41.2Very low112 Ų112139.1 Ų139.178%0.78381%0.808SS**  trans-80.2147.8167.8-63.70000111.6
335Q43.8Very low40.9Very low185 Ų185145.4 Ų145.486%0.86481%0.809SS**  trans-167.3107.4143.6-105163.234.200106.6
336A42Very low40.9Very low88 Ų88140.5 Ų140.573%0.72780%0.799SS**  56.7129.983.300000111.1
337S40.6Very low40.6Very low110 Ų110143.9 Ų143.977%0.76980%0.795SS**  cis176.5155.111.426.10000107.7
338A40.5Very low40.7Very low100 Ų100136 Ų13683%0.82678%0.781SS**  trans57.9120.6147.200000120.6
339A43.7Very low40.5Very low104 Ų104144 Ų14486%0.8679%0.79SS**  177140.810600000111.9
340A42.2Very low40.3Very low89 Ų89146.6 Ų146.674%0.73679%0.794SS**  trans-60.6155.1-179.800000114.7
341R43.2Very low40Very low253 Ų253146.9 Ų146.996%0.95580%0.796SS**  -167.3133.6129.6-104.2158.2175.7154.20.5112.8
342N40.6Very low39.8Very low159 Ų159154.2 Ų154.285%0.8581%0.81SS**  trans-68153.8-177.7-74.7-29.9000114.1
343S36.9Very low39.6Very low110 Ų110153.1 Ų153.177%0.76981%0.805SS**  trans11.9125.5136.7-169.70000118.4
344L40.4Very low39.6Very low156 Ų156154.1 Ų154.182%0.81781%0.805SS**  trans-178.7148.8137.9-97.5161.3000110.6
345Y36.6Very low39.4Very low209 Ų209158.8 Ų158.882%0.8281%0.807SS**  trans100.373.8170.3-76.6-85.6000119.5
346D35.9Very low39.4Very low134 Ų134154.2 Ų154.272%0.71780%0.801SS**  -52.3137.6128.6-163-11.8000111
347M36.7Very low39.3Very low153 Ų153157.1 Ų157.175%0.75480%0.804SS**  trans143.4117.1152.7-77.6-71.9142.200114.4
348A38.3Very low39.5Very low83 Ų83164 Ų16469%0.68681%0.813SS**  trans90.7128.8135.300000121.4
349R39.6Very low39.8Very low239 Ų239162.2 Ų162.290%0.90280%0.798SS**  trans114.7100148.9-63.5-179.1179.5134.51112.4
350Y36.3Very low39.9Very low214 Ų214168 Ų16884%0.83980%0.798SS**  cis44.5119.441.9-107-90.3000114.6
351E34.1Very low40Very low159 Ų159174 Ų17474%0.74380%0.803SS**  trans72113.8167.1-72.616915100119.6
352R37.6Very low40.1Very low237 Ų237166.6 Ų166.689%0.89479%0.79SS**  trans-135.870.8151.1-161.1179.8-140.1-173.36.2109
353E39.1Very low40.6Very low153 Ų153163.2 Ų163.272%0.71578%0.784SS**  trans-75.5131.3153.5-82.8-177.8133.600108.7Y355E353-Y355 PolarHBondContact O-N 2.97Å
354Q43.7Very low41.4Very low190 Ų190171.5 Ų171.589%0.88881%0.807SS**  trans-86.898.1170.2-73.5-177.4-13.700108.6
355Y35.5Very low41.4Very low210 Ų210172.3 Ų172.382%0.82481%0.806SS**  trans-109.7127.6162.3-117.4-86.6000108.1E353E353-Y355 PolarHBondContact O-N 2.97Å
356A43Very low41.7Very low88 Ų88170.4 Ų170.473%0.72781%0.805SS**  trans177.8114.4139.400000111.6
357D41.5Very low42Very low149 Ų149172.4 Ų172.480%0.79781%0.81SS**  trans58.7102.6140.7-87-54000120.3
358R44.9Very low42.3Very low256 Ų256173.5 Ų173.597%0.96681%0.814SS**  -136.1106129.3-146.2170179.7103.6-3.6111.3
359A46.3Very low42.5Very low61 Ų61179.2 Ų179.250%0.50482%0.822SS.*  trans-73.8151.4-176.700000114.1
360R45.6Very low42.7Very low227 Ų227175.2 Ų175.286%0.85782%0.816SS**  trans75.3121.5136.9-72.2166.6-174.8174.42.6120.6
361Y43.7Very low43.2Very low215 Ų215172.4 Ų172.484%0.84382%0.815SS**  149.387.4129.3-93.2-85000108.1
362S46Very low43.9Very low97 Ų97173.5 Ų173.568%0.67882%0.82SS**  57.3116.991.472.30000116.1
363A51.2Low44.4Very low87 Ų87168.2 Ų168.272%0.71981%0.814SS**  trans64.5104.3151.200000118.5
364F52.7Low44.9Very low285 Ų285169.5 Ų169.5100%1.2582%0.823SS**  -1660106.9-98.6-74.1000109.9

Retrieved 364 of 364 residues in 212.9 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).