A0A087XIM6_POEFO Loading...

Pyridoxal kinase

Catalyzes the phosphorylation of the dietary vitamin B6 vitamers pyridoxal (PL), pyridoxine (PN) and pyridoxamine (PM) to form pyridoxal 5'-phosphate (PLP), pyridoxine 5'-phosphate (PNP) and pyridoxamine 5'-phosphate (PMP), respectively. PLP is the active form of vitamin B6, and acts as a cofactor for over 140 different enzymatic reactions.

AlphaFold DB , UniProt , Accession A0A087XIM6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 307 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
1M62.4Low94Very high242 Ų24246 Ų46100%1.19222%0.22SC*.  0138.50-86.9174.5-101.500106.2
2E89.8Confident94.4Very high125 Ų12542.4 Ų42.458%0.58420%0.203SC*.  trans-59.2133.6173.5-173.1-175.5142.100108.9R4 E32E2-R4 IonicContact OE1-CZ 3.76Å; E2-R4 IonicContact OE1-NE 2.98Å; E2-R4 IonicContact OE1-NH2 3.99Å; E2-R4 PolarHBondContact OE1-NH2 3.42Å; E2-E32 HydrophobicContact CG-CB 4.27Å; E2-E32 HydrophobicContact CG-CG 3.47Å; E2-E32 VanDerWaalsContact CG-CG 3.47Å; E2-E32 WeakPolarHBondContact OE1-CG 3.45Å
3C97.5Very high94.7Very high14 Ų1446.5 Ų46.510%0.09523%0.232CC..  trans-113.7118.7179.5-172.10000109.3F31 E32 D76 Y77C3-F31 HydrophobicContact CB-CD1 3.98Å; C3-F31 HydrophobicContact CB-CE1 4.15Å; C3-E32 PolarHBondContact O-N 3.26Å; C3-D76 WeakPolarHBondContact CA-OD2 3.43Å; C3-Y77 VanDerWaalsContact SG-CD2 3.55Å; C3-Y77 WeakPolarHBondContact SG-CE2 3.5Å
4R98.7Very high95Very high64 Ų6453.6 Ų53.624%0.24226%0.255CS..EExtended strand (participates in β ladder)trans-107.4129.3-170.9-167.4176.9-78.3-78.6-14.9112.3E2 E32 D34 Q74 Y75 D76 Y77E2-R4 IonicContact OE1-CZ 3.76Å; E2-R4 IonicContact OE1-NE 2.98Å; E2-R4 IonicContact OE1-NH2 3.99Å; E2-R4 PolarHBondContact OE1-NH2 3.42Å; R4-E32 CarbonylContact C-O 3.14Å; R4-E32 WeakPolarHBondContact CA-O 3.45Å; R4-E32 HydrophobicContact CB-CB 4.42Å; R4-E32 HydrophobicContact CG-CB 4.29Å; R4-D34 IonicContact CZ-OD2 2.79Å; R4-D34 VanDerWaalsContact NH1-CG 3.32Å; R4-D34 IonicContact NH1-OD1 2.73Å; R4-D34 PolarHBondContact NH1-OD1 3.39Å; R4-D34 IonicContact NH1-OD2 3.71Å; R4-D34 PolarHBondContact NH1-OD2 2.91Å; R4-Q74 WeakPolarHBondContact CD-O 3.49Å; R4-Y75 HydrophobicContact CB-CD1 4.28Å; R4-Y75 HydrophobicContact CG-CD1 3.62Å; R4-Y75 HydrophobicContact CG-CE1 3.67Å; R4-D76 PolarHBondContact N-OD2 2.87Å; R4-D76 PolarHBondContact O-N 2.9Å; R4-Y77 PolarHBondContact O-N 3.43Å; R4-Y77 VanDerWaalsContact O-N 3.08Å
5V98.9Very high95.2Very high0 Ų050.5 Ų50.50%024%0.242CC..EExtended strand (participates in β ladder)trans-113.2124.3-178.7-171.70000109.8L26 F31 E32 D34 Y77 L79 L236V5-L26 HydrophobicContact CG1-CD1 4.29Å; V5-F31 HydrophobicContact CG2-CB 4.08Å; V5-F31 HydrophobicContact CG2-CD1 3.73Å; V5-F31 HydrophobicContact CG2-CG 4.24Å; V5-E32 PolarHBondContact N-O 3.08Å; V5-D34 PolarHBondContact O-N 3Å; V5-Y77 WeakPolarHBondContact CA-O 3.2Å; V5-L79 HydrophobicContact CG1-CB 4.1Å; V5-L236 HydrophobicContact CG1-CD1 4.04Å; V5-L236 HydrophobicContact CG2-CD2 4.36Å
6L98.9Very high95.4Very high1 Ų150.3 Ų50.31%0.00524%0.239CC..EExtended strand (participates in β ladder)trans-89.9107.5163.9179.259.8000109.2I8 D34 I36 Y75 Y77 V78 L79 I95 L99L6-I8 HydrophobicContact CD1-CG1 4.45Å; L6-I8 HydrophobicContact CD2-CD1 4.18Å; L6-I8 HydrophobicContact CD2-CG1 4.47Å; L6-I8 HydrophobicContact CG-CD1 4.3Å; L6-I8 HydrophobicContact CG-CG1 4.05Å; L6-D34 WeakPolarHBondContact CA-O 3.27Å; L6-D34 HydrophobicContact CD1-CB 4.38Å; L6-I36 HydrophobicContact CD1-CD1 4.01Å; L6-I36 HydrophobicContact CD1-CG1 4.13Å; L6-Y75 HydrophobicContact CB-CD1 3.61Å; L6-Y75 HydrophobicContact CB-CD2 3.99Å; L6-Y75 HydrophobicContact CB-CE1 3.67Å; L6-Y75 HydrophobicContact CB-CE2 4.02Å; L6-Y75 HydrophobicContact CB-CG 3.8Å; L6-Y75 HydrophobicContact CD1-CE1 4.41Å; L6-Y75 HydrophobicContact CD1-CE2 4.4Å; L6-Y75 HydrophobicContact CD2-CD2 4.2Å; L6-Y75 HydrophobicContact CD2-CE2 3.97Å; L6-Y75 HydrophobicContact CG-CE2 4.35Å; L6-Y77 PolarHBondContact N-O 3.39Å; L6-V78 HydrophobicContact CB-CG2 4.32Å; L6-V78 CarbonylContact O-C 3.53Å; L6-V78 WeakPolarHBondContact O-CA 3.3Å; L6-L79 PolarHBondContact O-N 3.13Å; L6-I95 HydrophobicContact CD2-CG2 4.29Å; L6-L99 HydrophobicContact CD2-CD1 3.88Å
7S98.8Very high95.5Very high0 Ų047.8 Ų47.80%023%0.228CC..EExtended strand (participates in β ladder)trans-102.1114.7179.2-171.30000111.4Q9 N19 D34 S35 I36 L79S7-Q9 PolarHBondContact OG-NE2 3.35Å; S7-N19 WeakPolarHBondContact CB-OD1 3.28Å; S7-N19 PolarHBondContact O-ND2 3.04Å; S7-N19 PolarHBondContact O-OD1 2.82Å; S7-N19 PolarHBondContact OG-OD1 3.31Å; S7-D34 PolarHBondContact N-O 2.96Å; S7-S35 WeakPolarHBondContact O-CA 3.48Å; S7-I36 PolarHBondContact O-N 3.31Å; S7-L79 CarbonylContact C-O 3.6Å; S7-L79 WeakPolarHBondContact CA-O 3.47Å
8I98.5Very high95.6Very high1 Ų145.2 Ų45.21%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-112.695.2-180-46.1179.8000109.1L6 I36 L79 T80 F88 V92L6-I8 HydrophobicContact CD1-CG1 4.45Å; L6-I8 HydrophobicContact CD2-CD1 4.18Å; L6-I8 HydrophobicContact CD2-CG1 4.47Å; L6-I8 HydrophobicContact CG-CD1 4.3Å; L6-I8 HydrophobicContact CG-CG1 4.05Å; I8-I36 WeakPolarHBondContact CA-O 3.48Å; I8-I36 HydrophobicContact CG1-CB 4.26Å; I8-I36 HydrophobicContact CG1-CD1 4.49Å; I8-I36 HydrophobicContact CG2-CB 4.27Å; I8-I36 HydrophobicContact CG2-CG2 4.29Å; I8-L79 PolarHBondContact N-O 2.96Å; I8-T80 HydrophobicContact CB-CG2 4.31Å; I8-F88 HydrophobicContact CG2-CE1 3.85Å; I8-F88 HydrophobicContact CG2-CZ 3.84Å; I8-V92 HydrophobicContact CD1-CG2 4.23Å; I8-V92 HydrophobicContact CG2-CG2 4.2Å
9Q97.3Very high95.8Very high2 Ų242.9 Ų42.91%0.00920%0.204CC..EExtended strand (participates in β ladder)trans-149.7178.4-174.4-50.1-177.546.800111.5S7 N19 A22 I36 N37 S38 L79S7-Q9 PolarHBondContact OG-NE2 3.35Å; Q9-N19 HydrophobicContact CB-CB 4.49Å; Q9-N19 WeakPolarHBondContact CB-OD1 3.47Å; Q9-N19 WeakPolarHBondContact CG-OD1 2.96Å; Q9-N19 PolarHBondContact O-ND2 2.67Å; Q9-A22 VanDerWaalsContact NE2-CB 3.34Å; Q9-I36 PolarHBondContact N-O 3.34Å; Q9-N37 CarbonylContact O-C 3.56Å; Q9-N37 WeakPolarHBondContact O-CA 3.44Å; Q9-S38 PolarHBondContact O-N 3.22Å; Q9-S38 PolarHBondContact O-OG 2.69Å; Q9-L79 VanDerWaalsContact NE2-CD2 3.28Å
10S95.9Very high95.9Very high11 Ų1143.6 Ų43.68%0.07721%0.206CC..EExtended strand (participates in β ladder)trans-65157.5174.567.90000113.1G18 N19 S38S10-G18 CarbonylContact O-C 3.53Å; S10-G18 WeakPolarHBondContact O-CA 3.12Å; S10-G18 WeakPolarHBondContact OG-CA 3.08Å; S10-N19 PolarHBondContact O-N 3.19Å; S10-S38 PolarHBondContact N-OG 3.12Å
11H97.9Very high96Very high46 Ų4641.5 Ų41.521%0.21320%0.197CC..EExtended strand (participates in β ladder)trans-131.9144.5169.1173.4-92.4000111.3N37 V39 Q40 F41H11-N37 HydrophobicContact CB-CB 3.75Å; H11-N37 VanDerWaalsContact CB-CG 3.46Å; H11-N37 WeakPolarHBondContact CB-OD1 3.42Å; H11-V39 WeakPolarHBondContact CA-O 3.33Å; H11-V39 WeakPolarHBondContact CB-O 3.34Å; H11-V39 PolarHBondContact N-O 2.9Å; H11-Q40 WeakPolarHBondContact O-CA 3.42Å; H11-F41 PolarHBondContact O-N 2.95Å
12V98.2Very high97.7Very high3 Ų330 Ų302%0.01814%0.14CC..EExtended strand (participates in β ladder)trans-129.6139177-64.70000112.2R14 V17 K20 F41V12-R14 WeakPolarHBondContact CB-O 3.41Å; V12-R14 VanDerWaalsContact CG2-O 3.23Å; V12-R14 WeakPolarHBondContact CG2-O 3.32Å; V12-V17 HydrophobicContact CB-CG2 4.28Å; V12-V17 HydrophobicContact CG1-CG2 3.49Å; V12-V17 VanDerWaalsContact CG1-CG2 3.49Å; V12-V17 HydrophobicContact CG2-CG2 3.75Å; V12-K20 HydrophobicContact CG2-CD 4.23Å; V12-K20 WeakPolarHBondContact O-CD 3.46Å; V12-K20 PolarHBondContact O-NZ 3.03Å; V12-F41 CarbonylContact C-O 3.58Å; V12-F41 VanDerWaalsContact CA-O 3.27Å; V12-F41 WeakPolarHBondContact CA-O 3.43Å; V12-F41 HydrophobicContact CG1-CB 4.41Å
13V98.6Very high98.1Very high95 Ų9524.8 Ų24.858%0.57612%0.117SC*.SBendtrans-62.3-50.9174.91770000110.2K20 F41V13-K20 PolarHBondContact O-NZ 3.45Å; V13-F41 PolarHBondContact N-O 3.46Å
14R98.5Very high98.2Very high147 Ų14726.5 Ų26.556%0.55512%0.123SC*.SBendtrans-110.1139.1175.1-179.1176.9176.894.63110.7V12 S42 N43V12-R14 WeakPolarHBondContact CB-O 3.41Å; V12-R14 VanDerWaalsContact CG2-O 3.23Å; V12-R14 WeakPolarHBondContact CG2-O 3.32Å; R14-S42 PolarHBondContact N-O 3.43Å; R14-N43 WeakPolarHBondContact O-CA 3.46Å
15G98.3Very high98.2Very high6 Ų623.4 Ų23.46%0.06211%0.112CC..SBendtrans98.6-174.3176.700000114.9K20 E284G15-K20 WeakPolarHBondContact O-CD 3.35Å; G15-K20 WeakPolarHBondContact O-CE 3.28Å; G15-K20 PolarHBondContact O-NZ 3.2Å; G15-E284 WeakPolarHBondContact CA-OE1 3.43Å; G15-E284 WeakPolarHBondContact CA-OE2 3.5Å
16Y98.5Very high98.2Very high48 Ų4823.4 Ų23.419%0.18811%0.112CC..  trans-132.293.8-179.6-64.4-85.7000111.4K20 E284 L285 M287 V288Y16-K20 HydrophobicContact CD1-CG 4.08Å; Y16-K20 HydrophobicContact CE1-CG 4.46Å; Y16-E284 PolarHBondContact N-OE2 3.17Å; Y16-L285 WeakPolarHBondContact CD2-O 3.35Å; Y16-L285 WeakPolarHBondContact CE2-O 3.33Å; Y16-M287 HydrophobicContact CD1-CB 3.54Å; Y16-M287 HydrophobicContact CD1-CE 4.4Å; Y16-M287 HydrophobicContact CD1-CG 3.97Å; Y16-M287 HydrophobicContact CD2-CB 4.16Å; Y16-M287 HydrophobicContact CE1-CB 3.44Å; Y16-M287 VanDerWaalsContact CE1-CB 3.44Å; Y16-M287 HydrophobicContact CE1-CG 4.02Å; Y16-M287 HydrophobicContact CE2-CB 4.05Å; Y16-M287 HydrophobicContact CG-CB 3.91Å; Y16-V288 WeakPolarHBondContact OH-CG2 3.44Å
17V97.3Very high98.2Very high8 Ų828.5 Ų28.55%0.04814%0.135CC..  trans-141.6162.1169.6-55.90000109.1V12 K20 S21 H44 V225V12-V17 HydrophobicContact CB-CG2 4.28Å; V12-V17 HydrophobicContact CG1-CG2 3.49Å; V12-V17 VanDerWaalsContact CG1-CG2 3.49Å; V12-V17 HydrophobicContact CG2-CG2 3.75Å; V17-K20 WeakPolarHBondContact O-CB 3.38Å; V17-K20 PolarHBondContact O-N 3.04Å; V17-S21 PolarHBondContact O-N 2.98Å; V17-H44 HydrophobicContact CG1-CB 3.75Å; V17-H44 HydrophobicContact CG2-CB 3.94Å; V17-V225 HydrophobicContact CG1-CB 4.16Å; V17-V225 HydrophobicContact CG1-CG1 3.67Å
18G97.3Very high98.2Very high0 Ų030.2 Ų30.20%015%0.146CC..THydrogen-bonded Turntrans52.7-135.3-17900000113.3S10 K20 S21 A22 D229S10-G18 CarbonylContact O-C 3.53Å; S10-G18 WeakPolarHBondContact O-CA 3.12Å; S10-G18 WeakPolarHBondContact OG-CA 3.08Å; G18-K20 PolarHBondContact O-N 2.9Å; G18-S21 WeakPolarHBondContact O-CA 3.37Å; G18-S21 WeakPolarHBondContact O-CB 3.48Å; G18-S21 PolarHBondContact O-N 3.34Å; G18-A22 PolarHBondContact O-N 3Å; G18-D229 PolarHBondContact N-OD2 3.17Å
19N98.4Very high98.2Very high3 Ų331.5 Ų31.52%0.01615%0.152CC..Hα-helixtrans-56.2-29179.6-82.9-17.8000112.6S7 Q9 S10 S21 A22 S23 I36 N37S7-N19 WeakPolarHBondContact CB-OD1 3.28Å; S7-N19 PolarHBondContact O-ND2 3.04Å; S7-N19 PolarHBondContact O-OD1 2.82Å; S7-N19 PolarHBondContact OG-OD1 3.31Å; Q9-N19 HydrophobicContact CB-CB 4.49Å; Q9-N19 WeakPolarHBondContact CB-OD1 3.47Å; Q9-N19 WeakPolarHBondContact CG-OD1 2.96Å; Q9-N19 PolarHBondContact O-ND2 2.67Å; S10-N19 PolarHBondContact O-N 3.19Å; N19-S21 VanDerWaalsContact C-N 3.34Å; N19-A22 PolarHBondContact O-N 3.44Å; N19-S23 WeakPolarHBondContact O-CB 3.26Å; N19-S23 PolarHBondContact O-N 3.44Å; N19-S23 PolarHBondContact O-OG 2.95Å; N19-I36 PolarHBondContact ND2-O 2.81Å; N19-N37 PolarHBondContact ND2-OD1 3.29Å
20K98.1Very high98.2Very high56 Ų5634.3 Ų34.324%0.24318%0.182CC..Hα-helixtrans-73.9-28.1177.6-165.8164.8173-156.60112.7V12 V13 G15 Y16 V17 G18V12-K20 HydrophobicContact CG2-CD 4.23Å; V12-K20 WeakPolarHBondContact O-CD 3.46Å; V12-K20 PolarHBondContact O-NZ 3.03Å; V13-K20 PolarHBondContact O-NZ 3.45Å; G15-K20 WeakPolarHBondContact O-CD 3.35Å; G15-K20 WeakPolarHBondContact O-CE 3.28Å; G15-K20 PolarHBondContact O-NZ 3.2Å; Y16-K20 HydrophobicContact CD1-CG 4.08Å; Y16-K20 HydrophobicContact CE1-CG 4.46Å; V17-K20 WeakPolarHBondContact O-CB 3.38Å; V17-K20 PolarHBondContact O-N 3.04Å; G18-K20 PolarHBondContact O-N 2.9Å
21S98.2Very high98.4Very high0 Ų034.2 Ų34.20%018%0.18CC..Hα-helixtrans-81.2-32.7172.4-155.60000112.1V17 G18 N19 P25 G226 M287V17-S21 PolarHBondContact O-N 2.98Å; G18-S21 WeakPolarHBondContact O-CA 3.37Å; G18-S21 WeakPolarHBondContact O-CB 3.48Å; G18-S21 PolarHBondContact O-N 3.34Å; N19-S21 VanDerWaalsContact C-N 3.34Å; S21-P25 WeakPolarHBondContact O-CD 3.2Å; S21-P25 WeakPolarHBondContact O-CG 3.5Å; S21-G226 PolarHBondContact OG-O 3.25Å; S21-M287 WeakPolarHBondContact OG-CE 3.23Å
22A98.6Very high98.4Very high0 Ų036.4 Ų36.40%019%0.191CC..Hα-helixtrans-87.1-40.1-176.200000114.7Q9 G18 N19 P25 L26 L79 A233Q9-A22 VanDerWaalsContact NE2-CB 3.34Å; G18-A22 PolarHBondContact O-N 3Å; N19-A22 PolarHBondContact O-N 3.44Å; A22-P25 WeakPolarHBondContact O-CD 3.5Å; A22-L26 WeakPolarHBondContact O-CG 3.46Å; A22-L26 PolarHBondContact O-N 3.37Å; A22-L79 HydrophobicContact CB-CD2 3.98Å; A22-A233 HydrophobicContact CB-CB 3.76Å
23S98.6Very high98.4Very high16 Ų1637 Ų3711%0.11220%0.195CC..Hα-helixtrans-69.9-47.2-169-55.80000112.9N19 L26 Q27 S35N19-S23 WeakPolarHBondContact O-CB 3.26Å; N19-S23 PolarHBondContact O-N 3.44Å; N19-S23 PolarHBondContact O-OG 2.95Å; S23-L26 PolarHBondContact O-N 2.76Å; S23-Q27 WeakPolarHBondContact O-CB 3.46Å; S23-Q27 WeakPolarHBondContact O-CG 3.44Å; S23-Q27 PolarHBondContact O-N 3.21Å; S23-S35 PolarHBondContact OG-OG 3.35Å
24F98.8Very high98.4Very high49 Ų4934.9 Ų34.922%0.21518%0.18CC..Hα-helixtrans-59.4-48.1-178.4170.4-92.7000112L26 Q27 V28 M287 V288 K291 I294F24-L26 PolarHBondContact O-N 3.17Å; F24-Q27 PolarHBondContact O-N 2.98Å; F24-V28 HydrophobicContact CD1-CG2 4.31Å; F24-V28 HydrophobicContact CD2-CG2 4.04Å; F24-V28 HydrophobicContact CE1-CG2 4Å; F24-V28 HydrophobicContact CE2-CG2 3.69Å; F24-V28 HydrophobicContact CG-CG2 4.36Å; F24-V28 HydrophobicContact CZ-CG2 3.68Å; F24-V28 WeakPolarHBondContact O-CB 3.48Å; F24-V28 VanDerWaalsContact O-CG2 3.23Å; F24-V28 WeakPolarHBondContact O-CG2 3.34Å; F24-V28 PolarHBondContact O-N 3.46Å; F24-M287 HydrophobicContact CD1-CG 3.53Å; F24-M287 HydrophobicContact CD1-SD 4.47Å; F24-M287 HydrophobicContact CE1-CG 4.09Å; F24-M287 HydrophobicContact CG-CG 4.34Å; F24-V288 HydrophobicContact CE2-CG2 4.45Å; F24-V288 HydrophobicContact CZ-CG2 4.42Å; F24-K291 HydrophobicContact CE1-CB 4.41Å; F24-K291 HydrophobicContact CE1-CG 4.49Å; F24-K291 HydrophobicContact CZ-CB 4.03Å; F24-K291 HydrophobicContact CZ-CD 4.26Å; F24-K291 HydrophobicContact CZ-CG 3.91Å; F24-I294 HydrophobicContact CD1-CD1 4.35Å; F24-I294 HydrophobicContact CE1-CD1 4.08Å
25P98.8Very high98.4Very high0 Ų030.4 Ų30.40%017%0.171CC..Hα-helixtrans-59.8-43176.3-26.936000114.2S21 A22 V28 L29 L230 M234 M287 I294S21-P25 WeakPolarHBondContact O-CD 3.2Å; S21-P25 WeakPolarHBondContact O-CG 3.5Å; A22-P25 WeakPolarHBondContact O-CD 3.5Å; P25-V28 PolarHBondContact O-N 2.93Å; P25-L29 WeakPolarHBondContact O-CG 3.33Å; P25-L29 PolarHBondContact O-N 3.33Å; P25-L29 VanDerWaalsContact O-N 3.08Å; P25-L230 HydrophobicContact CB-CD1 4.07Å; P25-L230 HydrophobicContact CG-CD1 3.5Å; P25-L230 VanDerWaalsContact CG-CD1 3.5Å; P25-M234 HydrophobicContact CB-CE 3.13Å; P25-M234 HydrophobicContact CB-SD 3.87Å; P25-M234 HydrophobicContact CG-CE 4.4Å; P25-M287 HydrophobicContact CG-CE 4.42Å; P25-M287 HydrophobicContact CG-CG 4.49Å; P25-M287 HydrophobicContact CG-SD 3.67Å; P25-I294 HydrophobicContact CB-CG2 3.88Å; P25-I294 HydrophobicContact CG-CD1 4.25Å
26L98.9Very high98.4Very high0 Ų030.8 Ų30.80%017%0.171CC..Hα-helixtrans-64-44.8177.5-73.7173.5000112.1V5 A22 S23 F24 V28 L29 G30 F31 V33 L79 A233 L236 A237V5-L26 HydrophobicContact CG1-CD1 4.29Å; A22-L26 WeakPolarHBondContact O-CG 3.46Å; A22-L26 PolarHBondContact O-N 3.37Å; S23-L26 PolarHBondContact O-N 2.76Å; F24-L26 PolarHBondContact O-N 3.17Å; L26-V28 VanDerWaalsContact C-N 3.34Å; L26-V28 PolarHBondContact O-N 2.9Å; L26-L29 CarbonylContact O-C 3.57Å; L26-L29 PolarHBondContact O-N 2.81Å; L26-L29 VanDerWaalsContact O-N 3.14Å; L26-G30 PolarHBondContact O-N 3.48Å; L26-G30 VanDerWaalsContact O-N 3.16Å; L26-F31 HydrophobicContact CB-CB 4.16Å; L26-F31 HydrophobicContact CD2-CD2 4.13Å; L26-F31 HydrophobicContact CD2-CG 4.26Å; L26-F31 WeakPolarHBondContact O-CB 3.42Å; L26-F31 PolarHBondContact O-N 3.09Å; L26-V33 HydrophobicContact CB-CG2 3.6Å; L26-V33 HydrophobicContact CD1-CG2 4.21Å; L26-L79 HydrophobicContact CD1-CD2 4.16Å; L26-A233 HydrophobicContact CD1-CB 4.27Å; L26-A233 WeakPolarHBondContact CD2-O 3.44Å; L26-A233 HydrophobicContact CG-CB 4.12Å; L26-L236 HydrophobicContact CD2-CD2 3.98Å; L26-A237 HydrophobicContact CD2-CB 4.15Å
27Q98.8Very high98.4Very high107 Ų10731.1 Ų31.150%0.518%0.176SC..Hα-helixtrans-61.9-42.7177.8-73.8171.8-31.300111.9S23 F24 L29 G30 V33S23-Q27 WeakPolarHBondContact O-CB 3.46Å; S23-Q27 WeakPolarHBondContact O-CG 3.44Å; S23-Q27 PolarHBondContact O-N 3.21Å; F24-Q27 PolarHBondContact O-N 2.98Å; Q27-L29 PolarHBondContact O-N 3.36Å; Q27-G30 PolarHBondContact O-N 3.27Å; Q27-V33 HydrophobicContact CG-CB 4.31Å; Q27-V33 HydrophobicContact CG-CG2 3.95Å
28V98.4Very high98.3Very high36 Ų3631 Ų3122%0.21818%0.176CC..Hα-helixtrans-64.1-30.9176.8166.30000111.6F24 P25 L26 G30 K291 I294 E295F24-V28 HydrophobicContact CD1-CG2 4.31Å; F24-V28 HydrophobicContact CD2-CG2 4.04Å; F24-V28 HydrophobicContact CE1-CG2 4Å; F24-V28 HydrophobicContact CE2-CG2 3.69Å; F24-V28 HydrophobicContact CG-CG2 4.36Å; F24-V28 HydrophobicContact CZ-CG2 3.68Å; F24-V28 WeakPolarHBondContact O-CB 3.48Å; F24-V28 VanDerWaalsContact O-CG2 3.23Å; F24-V28 WeakPolarHBondContact O-CG2 3.34Å; F24-V28 PolarHBondContact O-N 3.46Å; P25-V28 PolarHBondContact O-N 2.93Å; L26-V28 VanDerWaalsContact C-N 3.34Å; L26-V28 PolarHBondContact O-N 2.9Å; V28-G30 VanDerWaalsContact C-N 3.28Å; V28-K291 HydrophobicContact CG1-CG 3.9Å; V28-K291 HydrophobicContact CG2-CG 4.08Å; V28-I294 HydrophobicContact CG1-CG2 4.33Å; V28-E295 HydrophobicContact CG1-CB 4.47Å; V28-E295 HydrophobicContact CG1-CG 3.15Å; V28-E295 WeakPolarHBondContact CG1-OE1 3.39Å
29L98.4Very high98.1Very high28 Ų2831.2 Ų31.215%0.14718%0.177CC..THydrogen-bonded Turntrans-84.95.6173.2-68.9173.3000114P25 L26 Q27 F31 M234 A237 W238 I294P25-L29 WeakPolarHBondContact O-CG 3.33Å; P25-L29 PolarHBondContact O-N 3.33Å; P25-L29 VanDerWaalsContact O-N 3.08Å; L26-L29 CarbonylContact O-C 3.57Å; L26-L29 PolarHBondContact O-N 2.81Å; L26-L29 VanDerWaalsContact O-N 3.14Å; Q27-L29 PolarHBondContact O-N 3.36Å; L29-F31 HydrophobicContact CB-CD2 4.12Å; L29-F31 HydrophobicContact CB-CE2 4.22Å; L29-M234 HydrophobicContact CD1-CE 3.49Å; L29-M234 VanDerWaalsContact CD1-CE 3.49Å; L29-M234 HydrophobicContact CD1-SD 3.9Å; L29-A237 HydrophobicContact CD1-CB 3.51Å; L29-W238 HydrophobicContact CD1-CZ2 4.46Å; L29-W238 HydrophobicContact CD2-CH2 4.16Å; L29-W238 HydrophobicContact CD2-CZ2 4.15Å; L29-I294 HydrophobicContact CD1-CG2 4.49Å; L29-I294 HydrophobicContact CG-CG2 4.41Å
30G98.3Very high98.1Very high62 Ų6235.7 Ų35.764%0.63920%0.198SC*.THydrogen-bonded Turntrans87.515.1171.900000115.7L26 Q27 V28L26-G30 PolarHBondContact O-N 3.48Å; L26-G30 VanDerWaalsContact O-N 3.16Å; Q27-G30 PolarHBondContact O-N 3.27Å; V28-G30 VanDerWaalsContact C-N 3.28Å
31F98.8Very high98.1Very high8 Ų833.6 Ų33.64%0.03519%0.189CC..  trans-83.4142.4170.8-67.2-99.6000110.8C3 V5 L26 L29 V33 Y77 L236 A237 H240C3-F31 HydrophobicContact CB-CD1 3.98Å; C3-F31 HydrophobicContact CB-CE1 4.15Å; V5-F31 HydrophobicContact CG2-CB 4.08Å; V5-F31 HydrophobicContact CG2-CD1 3.73Å; V5-F31 HydrophobicContact CG2-CG 4.24Å; L26-F31 HydrophobicContact CB-CB 4.16Å; L26-F31 HydrophobicContact CD2-CD2 4.13Å; L26-F31 HydrophobicContact CD2-CG 4.26Å; L26-F31 WeakPolarHBondContact O-CB 3.42Å; L26-F31 PolarHBondContact O-N 3.09Å; L29-F31 HydrophobicContact CB-CD2 4.12Å; L29-F31 HydrophobicContact CB-CE2 4.22Å; F31-V33 HydrophobicContact CB-CG2 4.3Å; F31-Y77 HydrophobicContact CE1-CE2 4.49Å; F31-L236 HydrophobicContact CD1-CD2 4.28Å; F31-L236 HydrophobicContact CE1-CD2 3.85Å; F31-L236 HydrophobicContact CZ-CD2 4.24Å; F31-A237 HydrophobicContact CD2-CB 4.42Å; F31-A237 HydrophobicContact CE2-CB 3.62Å; F31-A237 HydrophobicContact CZ-CB 4.07Å; F31-H240 HydrophobicContact CE1-CB 4.25Å; F31-H240 HydrophobicContact CZ-CB 3.88Å; F31-H240 AromaticContact CZ-CD2 3.74Å; F31-H240 AromaticContact CZ-CG 3.84Å
32E98.7Very high98.1Very high93 Ų9335.9 Ų35.944%0.43521%0.205SC..EExtended strand (participates in β ladder)trans-84.3122.1168-73-69.1160.200108.9E2 C3 R4 V5E2-E32 HydrophobicContact CG-CB 4.27Å; E2-E32 HydrophobicContact CG-CG 3.47Å; E2-E32 VanDerWaalsContact CG-CG 3.47Å; E2-E32 WeakPolarHBondContact OE1-CG 3.45Å; C3-E32 PolarHBondContact O-N 3.26Å; R4-E32 CarbonylContact C-O 3.14Å; R4-E32 WeakPolarHBondContact CA-O 3.45Å; R4-E32 HydrophobicContact CB-CB 4.42Å; R4-E32 HydrophobicContact CG-CB 4.29Å; V5-E32 PolarHBondContact N-O 3.08Å
33V98.7Very high98.1Very high16 Ų1636.7 Ų36.710%0.09721%0.21CC..EExtended strand (participates in β ladder)trans-119.3112-170.1-172.80000110.4L26 Q27 F31L26-V33 HydrophobicContact CB-CG2 3.6Å; L26-V33 HydrophobicContact CD1-CG2 4.21Å; Q27-V33 HydrophobicContact CG-CB 4.31Å; Q27-V33 HydrophobicContact CG-CG2 3.95Å; F31-V33 HydrophobicContact CB-CG2 4.3Å
34D98.8Very high97.9Very high50 Ų5036.6 Ų36.627%0.26721%0.207SC..EExtended strand (participates in β ladder)trans-94.7124168.5-65-22.6000108.6R4 V5 L6 S7 Y75R4-D34 IonicContact CZ-OD2 2.79Å; R4-D34 VanDerWaalsContact NH1-CG 3.32Å; R4-D34 IonicContact NH1-OD1 2.73Å; R4-D34 PolarHBondContact NH1-OD1 3.39Å; R4-D34 IonicContact NH1-OD2 3.71Å; R4-D34 PolarHBondContact NH1-OD2 2.91Å; V5-D34 PolarHBondContact O-N 3Å; L6-D34 WeakPolarHBondContact CA-O 3.27Å; L6-D34 HydrophobicContact CD1-CB 4.38Å; S7-D34 PolarHBondContact N-O 2.96Å; D34-Y75 HydrophobicContact CB-CE1 3.88Å; D34-Y75 WeakPolarHBondContact OD2-CE1 3.33Å; D34-Y75 PolarHBondContact OD2-OH 2.79Å
35S98.3Very high97.6Very high53 Ų5338.2 Ų38.237%0.37122%0.221SC..EExtended strand (participates in β ladder)trans-112124.2-173.7-670000111.9S7 S23S7-S35 WeakPolarHBondContact O-CA 3.48Å; S23-S35 PolarHBondContact OG-OG 3.35Å
36I98.3Very high97.2Very high13 Ų1340.1 Ų40.17%0.06724%0.241CC..EExtended strand (participates in β ladder)trans-103.4120163.1-61.7176.2000108.2L6 S7 I8 Q9 N19 S38 L55 L60 L63L6-I36 HydrophobicContact CD1-CD1 4.01Å; L6-I36 HydrophobicContact CD1-CG1 4.13Å; S7-I36 PolarHBondContact O-N 3.31Å; I8-I36 WeakPolarHBondContact CA-O 3.48Å; I8-I36 HydrophobicContact CG1-CB 4.26Å; I8-I36 HydrophobicContact CG1-CD1 4.49Å; I8-I36 HydrophobicContact CG2-CB 4.27Å; I8-I36 HydrophobicContact CG2-CG2 4.29Å; Q9-I36 PolarHBondContact N-O 3.34Å; N19-I36 PolarHBondContact ND2-O 2.81Å; I36-S38 PolarHBondContact O-N 3.46Å; I36-L55 HydrophobicContact CG2-CD2 3.8Å; I36-L60 HydrophobicContact CD1-CD1 3.89Å; I36-L60 HydrophobicContact CG2-CD1 3.78Å; I36-L63 HydrophobicContact CG2-CD1 3.84Å
37N97.4Very high97Very high55 Ų5541.6 Ų41.629%0.29425%0.246SC..EExtended strand (participates in β ladder)trans-90.3105.1-177.2-62.4-34.7000110.1Q9 H11 N19 V39Q9-N37 CarbonylContact O-C 3.56Å; Q9-N37 WeakPolarHBondContact O-CA 3.44Å; H11-N37 HydrophobicContact CB-CB 3.75Å; H11-N37 VanDerWaalsContact CB-CG 3.46Å; H11-N37 WeakPolarHBondContact CB-OD1 3.42Å; N19-N37 PolarHBondContact ND2-OD1 3.29Å; N37-V39 PolarHBondContact O-N 2.82Å
38S95.3Very high96.9Very high5 Ų542 Ų424%0.03526%0.261CS..EExtended strand (participates in β ladder)trans-65.4-25.9-179.766.70000112.9Q9 S10 I36 L55 F88Q9-S38 PolarHBondContact O-N 3.22Å; Q9-S38 PolarHBondContact O-OG 2.69Å; S10-S38 PolarHBondContact N-OG 3.12Å; I36-S38 PolarHBondContact O-N 3.46Å; S38-L55 VanDerWaalsContact O-CB 3.26Å; S38-L55 WeakPolarHBondContact O-CB 3.48Å; S38-L55 PolarHBondContact O-N 2.81Å; S38-F88 VanDerWaalsContact CB-CZ 3.45Å
39V94.4Very high96.8Very high6 Ų647.9 Ų47.94%0.03629%0.286CS..EExtended strand (participates in β ladder)trans-142.8156.7169.5-57.50000109.5H11 N37 F41 Q53 V54H11-V39 WeakPolarHBondContact CA-O 3.33Å; H11-V39 WeakPolarHBondContact CB-O 3.34Å; H11-V39 PolarHBondContact N-O 2.9Å; N37-V39 PolarHBondContact O-N 2.82Å; V39-F41 HydrophobicContact CB-CD1 4.36Å; V39-F41 HydrophobicContact CB-CE1 4.12Å; V39-F41 HydrophobicContact CB-CE2 4.39Å; V39-F41 HydrophobicContact CB-CZ 4.12Å; V39-F41 HydrophobicContact CG1-CE1 4.47Å; V39-F41 HydrophobicContact CG1-CZ 4.13Å; V39-F41 HydrophobicContact CG2-CD2 4.21Å; V39-F41 HydrophobicContact CG2-CE2 4.21Å; V39-F41 HydrophobicContact CG2-CG 4.45Å; V39-F41 HydrophobicContact CG2-CZ 4.44Å; V39-Q53 WeakPolarHBondContact CA-O 3.18Å; V39-Q53 WeakPolarHBondContact CB-O 3.39Å; V39-V54 HydrophobicContact CB-CG2 4.32Å; V39-V54 HydrophobicContact CG1-CB 4.05Å; V39-V54 HydrophobicContact CG1-CG1 3.97Å; V39-V54 HydrophobicContact CG1-CG2 3.57Å
40Q97.4Very high96.7Very high96 Ų9651.5 Ų51.545%0.44930%0.298SS..EExtended strand (participates in β ladder)trans-127.3101.2166.4178.5168-6.200108.9H11 G52 Q53H11-Q40 WeakPolarHBondContact O-CA 3.42Å; Q40-G52 CarbonylContact O-C 3.44Å; Q40-G52 VanDerWaalsContact O-CA 3.28Å; Q40-G52 WeakPolarHBondContact O-CA 3.21Å; Q40-Q53 PolarHBondContact N-O 3.47Å; Q40-Q53 PolarHBondContact O-N 3.28Å; Q40-Q53 PolarHBondContact O-OE1 3.39Å
41F97.6Very high96.7Very high13 Ų1356.8 Ų56.86%0.05730%0.303CS..EExtended strand (participates in β ladder)trans-107161.6177.5-66.9-18.1000112.3H11 V12 V13 V39 N43 W50 K51 Q53 V54H11-F41 PolarHBondContact O-N 2.95Å; V12-F41 CarbonylContact C-O 3.58Å; V12-F41 VanDerWaalsContact CA-O 3.27Å; V12-F41 WeakPolarHBondContact CA-O 3.43Å; V12-F41 HydrophobicContact CG1-CB 4.41Å; V13-F41 PolarHBondContact N-O 3.46Å; V39-F41 HydrophobicContact CB-CD1 4.36Å; V39-F41 HydrophobicContact CB-CE1 4.12Å; V39-F41 HydrophobicContact CB-CE2 4.39Å; V39-F41 HydrophobicContact CB-CZ 4.12Å; V39-F41 HydrophobicContact CG1-CE1 4.47Å; V39-F41 HydrophobicContact CG1-CZ 4.13Å; V39-F41 HydrophobicContact CG2-CD2 4.21Å; V39-F41 HydrophobicContact CG2-CE2 4.21Å; V39-F41 HydrophobicContact CG2-CG 4.45Å; V39-F41 HydrophobicContact CG2-CZ 4.44Å; F41-N43 PolarHBondContact O-N 3.23Å; F41-W50 HydrophobicContact CD1-CE3 4.27Å; F41-W50 HydrophobicContact CD1-CZ3 4.3Å; F41-W50 AromaticContact CD2-CE3 3.88Å; F41-W50 HydrophobicContact CD2-CE3 3.88Å; F41-W50 HydrophobicContact CD2-CZ3 4.11Å; F41-W50 HydrophobicContact CE1-CE3 4.25Å; F41-W50 AromaticContact CE1-CZ3 3.82Å; F41-W50 HydrophobicContact CE1-CZ3 3.82Å; F41-W50 AromaticContact CE2-CE3 3.85Å; F41-W50 HydrophobicContact CE2-CE3 3.85Å; F41-W50 HydrophobicContact CE2-CH2 4.32Å; F41-W50 AromaticContact CE2-CZ3 3.6Å; F41-W50 HydrophobicContact CE2-CZ3 3.6Å; F41-W50 HydrophobicContact CG-CE3 4.11Å; F41-W50 HydrophobicContact CG-CZ3 4.45Å; F41-W50 HydrophobicContact CZ-CE3 4.04Å; F41-W50 HydrophobicContact CZ-CH2 4.22Å; F41-W50 AromaticContact CZ-CZ3 3.44Å; F41-W50 HydrophobicContact CZ-CZ3 3.44Å; F41-W50 VanDerWaalsContact CZ-CZ3 3.44Å; F41-K51 CarbonylContact C-O 3.58Å; F41-K51 VanDerWaalsContact CA-O 3.32Å; F41-K51 WeakPolarHBondContact CA-O 3.25Å; F41-Q53 WeakPolarHBondContact CE1-O 3.23Å; F41-V54 HydrophobicContact CE1-CG2 3.84Å; F41-V54 HydrophobicContact CZ-CG2 3.81Å
42S98.6Very high96.6Very high48 Ų4858.3 Ų58.334%0.33632%0.321SS..SBendtrans-59.6-36.1172.546.90000112.4R14 K51R14-S42 PolarHBondContact N-O 3.43Å; S42-K51 PolarHBondContact N-O 3.38Å; S42-K51 PolarHBondContact OG-N 3.45Å; S42-K51 PolarHBondContact OG-O 2.96Å
43N98.3Very high96.5Very high17 Ų1760.1 Ų60.19%0.09133%0.33CS..SBendtrans-170.5169-171.149.3-16.3000108.8R14 F41 Y47 H49 W50R14-N43 WeakPolarHBondContact O-CA 3.46Å; F41-N43 PolarHBondContact O-N 3.23Å; N43-Y47 HydrophobicContact CB-CD2 3.83Å; N43-Y47 HydrophobicContact CB-CE2 3.8Å; N43-Y47 HydrophobicContact CB-CG 4.21Å; N43-Y47 WeakPolarHBondContact ND2-CB 3.22Å; N43-Y47 WeakPolarHBondContact ND2-CD1 3.47Å; N43-Y47 WeakPolarHBondContact ND2-CD2 3.2Å; N43-H49 PolarHBondContact ND2-O 2.57Å; N43-H49 VanDerWaalsContact ND2-O 3.09Å; N43-H49 PolarHBondContact OD1-O 3.35Å; N43-W50 WeakPolarHBondContact OD1-CA 3.33Å; N43-W50 WeakPolarHBondContact OD1-CB 3.2Å
44H95Very high96.3Very high13 Ų1361.3 Ų61.36%0.0634%0.337CS..  trans-69.5158.917872.286.3000111.9V17 G46 Y47 V225 E284V17-H44 HydrophobicContact CG1-CB 3.75Å; V17-H44 HydrophobicContact CG2-CB 3.94Å; H44-G46 WeakPolarHBondContact ND1-CA 3.34Å; H44-G46 PolarHBondContact ND1-N 2.85Å; H44-G46 PolarHBondContact O-N 2.93Å; H44-G46 VanDerWaalsContact O-N 3.09Å; H44-Y47 AromaticContact CD2-CD2 3.74Å; H44-Y47 AromaticContact CD2-CE2 3.45Å; H44-Y47 VanDerWaalsContact CD2-CE2 3.45Å; H44-Y47 WeakPolarHBondContact CD2-CE2 3.49Å; H44-Y47 AromaticContact CE1-CD2 3.76Å; H44-Y47 AromaticContact CE1-CE2 3.98Å; H44-Y47 AromaticContact NE2-CD2 3.51Å; H44-Y47 AromaticContact NE2-CE2 3.26Å; H44-Y47 VanDerWaalsContact NE2-CE2 3.26Å; H44-Y47 WeakPolarHBondContact NE2-CE2 3.26Å; H44-Y47 WeakPolarHBondContact O-CD2 3.49Å; H44-Y47 PolarHBondContact O-N 2.93Å; H44-V225 HydrophobicContact CB-CG1 4.22Å; H44-E284 IonicContact CD2-OE1 2.73Å; H44-E284 PolarHBondContact CD2-OE1 3.19Å; H44-E284 VanDerWaalsContact CD2-OE1 3.26Å; H44-E284 IonicContact NE2-OE1 3.21Å
45T92.1Very high96.2Very high83 Ų8360.4 Ų60.451%0.50933%0.332SS..THydrogen-bonded Turntrans-71.2-4.1-173.153.70000114.7Y47 W50T45-Y47 PolarHBondContact O-N 3.29Å; T45-W50 HydrophobicContact CG2-CD2 4.09Å; T45-W50 HydrophobicContact CG2-CG 4.33Å; T45-W50 HydrophobicContact CG2-CZ2 4.26Å
46G91.1Very high96.1Very high40 Ų4061.1 Ų61.141%0.41233%0.334SS..THydrogen-bonded Turntrans-76.4-8.8172.800000113.6H44 P280H44-G46 WeakPolarHBondContact ND1-CA 3.34Å; H44-G46 PolarHBondContact ND1-N 2.85Å; H44-G46 PolarHBondContact O-N 2.93Å; H44-G46 VanDerWaalsContact O-N 3.09Å; G46-P280 WeakPolarHBondContact O-CG 3.5Å
47Y95Very high96.1Very high31 Ų3160.9 Ų60.912%0.12233%0.334CS..SBendtrans-78.8153.8168.5-78.1-110000111.7N43 H44 T45 H49 P281 E284N43-Y47 HydrophobicContact CB-CD2 3.83Å; N43-Y47 HydrophobicContact CB-CE2 3.8Å; N43-Y47 HydrophobicContact CB-CG 4.21Å; N43-Y47 WeakPolarHBondContact ND2-CB 3.22Å; N43-Y47 WeakPolarHBondContact ND2-CD1 3.47Å; N43-Y47 WeakPolarHBondContact ND2-CD2 3.2Å; H44-Y47 AromaticContact CD2-CD2 3.74Å; H44-Y47 AromaticContact CD2-CE2 3.45Å; H44-Y47 VanDerWaalsContact CD2-CE2 3.45Å; H44-Y47 WeakPolarHBondContact CD2-CE2 3.49Å; H44-Y47 AromaticContact CE1-CD2 3.76Å; H44-Y47 AromaticContact CE1-CE2 3.98Å; H44-Y47 AromaticContact NE2-CD2 3.51Å; H44-Y47 AromaticContact NE2-CE2 3.26Å; H44-Y47 VanDerWaalsContact NE2-CE2 3.26Å; H44-Y47 WeakPolarHBondContact NE2-CE2 3.26Å; H44-Y47 WeakPolarHBondContact O-CD2 3.49Å; H44-Y47 PolarHBondContact O-N 2.93Å; T45-Y47 PolarHBondContact O-N 3.29Å; Y47-H49 PolarHBondContact O-N 3.42Å; Y47-P281 HydrophobicContact CD1-CG 3.98Å; Y47-P281 HydrophobicContact CE1-CB 3.52Å; Y47-P281 HydrophobicContact CE1-CG 3.41Å; Y47-P281 VanDerWaalsContact CE1-CG 3.41Å; Y47-P281 VanDerWaalsContact OH-CA 3.25Å; Y47-P281 WeakPolarHBondContact OH-CA 3.41Å; Y47-P281 WeakPolarHBondContact OH-CB 3.4Å; Y47-E284 VanDerWaalsContact CE2-OE1 3.3Å; Y47-E284 WeakPolarHBondContact CE2-OE1 3.27Å; Y47-E284 PolarHBondContact OH-OE1 2.98Å; Y47-E284 VanDerWaalsContact OH-OE1 3.07Å
48S95.9Very high96.1Very high116 Ų11664.2 Ų64.281%0.81135%0.352SS*.SBendtrans-59.2-29.5175.6-49.50000113.7
49H96.5Very high96.2Very high160 Ų16068.4 Ų68.474%0.74137%0.371SS*.  trans-136.7140177.2-56.3-59.7000110.5N43 Y47N43-H49 PolarHBondContact ND2-O 2.57Å; N43-H49 VanDerWaalsContact ND2-O 3.09Å; N43-H49 PolarHBondContact OD1-O 3.35Å; Y47-H49 PolarHBondContact O-N 3.42Å
50W97.3Very high96.4Very high104 Ų10468.1 Ų68.139%0.39437%0.369SS..  trans-149.4151.217360.1-90.1000109.3F41 N43 T45F41-W50 HydrophobicContact CD1-CE3 4.27Å; F41-W50 HydrophobicContact CD1-CZ3 4.3Å; F41-W50 AromaticContact CD2-CE3 3.88Å; F41-W50 HydrophobicContact CD2-CE3 3.88Å; F41-W50 HydrophobicContact CD2-CZ3 4.11Å; F41-W50 HydrophobicContact CE1-CE3 4.25Å; F41-W50 AromaticContact CE1-CZ3 3.82Å; F41-W50 HydrophobicContact CE1-CZ3 3.82Å; F41-W50 AromaticContact CE2-CE3 3.85Å; F41-W50 HydrophobicContact CE2-CE3 3.85Å; F41-W50 HydrophobicContact CE2-CH2 4.32Å; F41-W50 AromaticContact CE2-CZ3 3.6Å; F41-W50 HydrophobicContact CE2-CZ3 3.6Å; F41-W50 HydrophobicContact CG-CE3 4.11Å; F41-W50 HydrophobicContact CG-CZ3 4.45Å; F41-W50 HydrophobicContact CZ-CE3 4.04Å; F41-W50 HydrophobicContact CZ-CH2 4.22Å; F41-W50 AromaticContact CZ-CZ3 3.44Å; F41-W50 HydrophobicContact CZ-CZ3 3.44Å; F41-W50 VanDerWaalsContact CZ-CZ3 3.44Å; N43-W50 WeakPolarHBondContact OD1-CA 3.33Å; N43-W50 WeakPolarHBondContact OD1-CB 3.2Å; T45-W50 HydrophobicContact CG2-CD2 4.09Å; T45-W50 HydrophobicContact CG2-CG 4.33Å; T45-W50 HydrophobicContact CG2-CZ2 4.26Å
51K97.4Very high96.5Very high172 Ų17267.5 Ų67.575%0.74837%0.366SS*.  trans-145.2157.1175.8-68.1-66.4-177179.40109.2F41 S42F41-K51 CarbonylContact C-O 3.58Å; F41-K51 VanDerWaalsContact CA-O 3.32Å; F41-K51 WeakPolarHBondContact CA-O 3.25Å; S42-K51 PolarHBondContact N-O 3.38Å; S42-K51 PolarHBondContact OG-N 3.45Å; S42-K51 PolarHBondContact OG-O 2.96Å
52G96.6Very high96.5Very high40 Ų4071.4 Ų71.441%0.41239%0.391SS..EExtended strand (participates in β ladder)trans154-160.2166.600000112.4Q40Q40-G52 CarbonylContact O-C 3.44Å; Q40-G52 VanDerWaalsContact O-CA 3.28Å; Q40-G52 WeakPolarHBondContact O-CA 3.21Å
53Q95.9Very high96.5Very high131 Ų13173 Ų7361%0.61240%0.396SS*.EExtended strand (participates in β ladder)trans-113.7156.8-169.6-57.680.87.700111.2V39 Q40 F41V39-Q53 WeakPolarHBondContact CA-O 3.18Å; V39-Q53 WeakPolarHBondContact CB-O 3.39Å; Q40-Q53 PolarHBondContact N-O 3.47Å; Q40-Q53 PolarHBondContact O-N 3.28Å; Q40-Q53 PolarHBondContact O-OE1 3.39Å; F41-Q53 WeakPolarHBondContact CE1-O 3.23Å
54V95Very high96.5Very high41 Ų4172.7 Ų72.725%0.24839%0.393CS..EExtended strand (participates in β ladder)trans-125.5132.5176.4173.50000108.4V39 F41 R84V39-V54 HydrophobicContact CB-CG2 4.32Å; V39-V54 HydrophobicContact CG1-CB 4.05Å; V39-V54 HydrophobicContact CG1-CG1 3.97Å; V39-V54 HydrophobicContact CG1-CG2 3.57Å; F41-V54 HydrophobicContact CE1-CG2 3.84Å; F41-V54 HydrophobicContact CZ-CG2 3.81Å; V54-R84 VanDerWaalsContact CG2-NH2 3.34Å
55L96.1Very high96.7Very high31 Ų3176.3 Ų76.316%0.16241%0.41CS..  trans-77.1128.2175.1-160.972.8000109.3I36 S38 E59 L60 L63 F88I36-L55 HydrophobicContact CG2-CD2 3.8Å; S38-L55 VanDerWaalsContact O-CB 3.26Å; S38-L55 WeakPolarHBondContact O-CB 3.48Å; S38-L55 PolarHBondContact O-N 2.81Å; L55-E59 WeakPolarHBondContact CA-OE2 2.95Å; L55-E59 HydrophobicContact CD1-CB 3.39Å; L55-E59 HydrophobicContact CD1-CG 4.33Å; L55-E59 HydrophobicContact CG-CB 3.82Å; L55-L60 HydrophobicContact CD2-CB 4.25Å; L55-L63 HydrophobicContact CD2-CD1 3.91Å; L55-F88 HydrophobicContact CB-CE2 4.09Å; L55-F88 HydrophobicContact CD2-CE2 4.03Å; L55-F88 HydrophobicContact CG-CE2 4.28Å; L55-F88 WeakPolarHBondContact O-CD2 3.46Å
56T97.2Very high97Very high68 Ų6873.7 Ų73.742%0.41740%0.4SS..  trans-82.2168.5174.661.10000111.3D58 E59 L60T56-D58 VanDerWaalsContact C-N 3.31Å; T56-D58 PolarHBondContact O-N 2.96Å; T56-E59 WeakPolarHBondContact CB-OE2 3.43Å; T56-E59 WeakPolarHBondContact CG2-OE2 3.44Å; T56-E59 PolarHBondContact N-OE2 2.87Å; T56-E59 PolarHBondContact O-N 3.14Å; T56-E59 VanDerWaalsContact OG1-CD 3.31Å; T56-E59 VanDerWaalsContact OG1-CG 3.26Å; T56-E59 WeakPolarHBondContact OG1-CG 3.35Å; T56-E59 PolarHBondContact OG1-N 3.42Å; T56-E59 PolarHBondContact OG1-OE2 3.45Å; T56-L60 PolarHBondContact O-N 3.43Å
57A97.3Very high97.3Very high9 Ų973.7 Ų73.77%0.07439%0.39CS..Hα-helixtrans-61.4-38.6174.800000112.6L60 H61 S87 M91A57-L60 WeakPolarHBondContact O-CB 3.37Å; A57-L60 PolarHBondContact O-N 2.95Å; A57-H61 PolarHBondContact O-N 2.91Å; A57-S87 WeakPolarHBondContact CB-OG 3.46Å; A57-M91 HydrophobicContact CB-CB 4.43Å
58D98.1Very high97.5Very high125 Ų12576.3 Ų76.367%0.66840%0.402SS*.Hα-helixtrans-64.5-42.5176.8-67.9-21000111.2T56 H61 V62T56-D58 VanDerWaalsContact C-N 3.31Å; T56-D58 PolarHBondContact O-N 2.96Å; D58-H61 WeakPolarHBondContact O-CB 3.4Å; D58-H61 PolarHBondContact O-N 3.11Å; D58-V62 WeakPolarHBondContact O-CG2 3.31Å; D58-V62 PolarHBondContact O-N 3.33Å
59E98.3Very high97.6Very high92 Ų9276.7 Ų76.743%0.4339%0.394SS..Hα-helixtrans-68.9-35.3177.2-66.5164.4137.400112.1L55 T56 H61 V62 L63L55-E59 WeakPolarHBondContact CA-OE2 2.95Å; L55-E59 HydrophobicContact CD1-CB 3.39Å; L55-E59 HydrophobicContact CD1-CG 4.33Å; L55-E59 HydrophobicContact CG-CB 3.82Å; T56-E59 WeakPolarHBondContact CB-OE2 3.43Å; T56-E59 WeakPolarHBondContact CG2-OE2 3.44Å; T56-E59 PolarHBondContact N-OE2 2.87Å; T56-E59 PolarHBondContact O-N 3.14Å; T56-E59 VanDerWaalsContact OG1-CD 3.31Å; T56-E59 VanDerWaalsContact OG1-CG 3.26Å; T56-E59 WeakPolarHBondContact OG1-CG 3.35Å; T56-E59 PolarHBondContact OG1-N 3.42Å; T56-E59 PolarHBondContact OG1-OE2 3.45Å; E59-H61 VanDerWaalsContact C-N 3.34Å; E59-V62 PolarHBondContact O-N 3.4Å; E59-L63 WeakPolarHBondContact O-CG 3.33Å; E59-L63 PolarHBondContact O-N 3.04Å; E59-L63 VanDerWaalsContact O-N 3.17Å
60L98.3Very high97.7Very high0 Ų074.8 Ų74.80%039%0.389CS..Hα-helixtrans-60.2-45169.3171.761.8000111I36 L55 T56 A57 V62 L63 Y64 F88 M91 V92 I95I36-L60 HydrophobicContact CD1-CD1 3.89Å; I36-L60 HydrophobicContact CG2-CD1 3.78Å; L55-L60 HydrophobicContact CD2-CB 4.25Å; T56-L60 PolarHBondContact O-N 3.43Å; A57-L60 WeakPolarHBondContact O-CB 3.37Å; A57-L60 PolarHBondContact O-N 2.95Å; L60-V62 VanDerWaalsContact C-N 3.34Å; L60-V62 PolarHBondContact O-N 3.11Å; L60-L63 PolarHBondContact O-N 2.87Å; L60-Y64 PolarHBondContact O-N 3.03Å; L60-F88 HydrophobicContact CB-CD2 4.24Å; L60-F88 HydrophobicContact CB-CE2 3.82Å; L60-F88 HydrophobicContact CB-CZ 4.43Å; L60-F88 HydrophobicContact CD1-CZ 4.37Å; L60-F88 HydrophobicContact CD2-CD1 4.3Å; L60-F88 HydrophobicContact CD2-CD2 4.1Å; L60-F88 HydrophobicContact CD2-CE1 4.05Å; L60-F88 HydrophobicContact CD2-CE2 3.83Å; L60-F88 HydrophobicContact CD2-CG 4.33Å; L60-F88 HydrophobicContact CD2-CZ 3.8Å; L60-F88 HydrophobicContact CG-CE2 4.28Å; L60-F88 HydrophobicContact CG-CZ 4.44Å; L60-M91 HydrophobicContact CD2-CB 3.97Å; L60-M91 HydrophobicContact CD2-CG 3.6Å; L60-M91 HydrophobicContact CG-CG 3.95Å; L60-V92 HydrophobicContact CD2-CG2 3.79Å; L60-I95 HydrophobicContact CD1-CD1 4.04Å; L60-I95 HydrophobicContact CD2-CD1 4.1Å; L60-I95 HydrophobicContact CG-CD1 3.95Å
61H98.2Very high97.7Very high83 Ų8375.3 Ų75.338%0.38440%0.4SS..Hα-helixtrans-60.2-44.1176.9-179.213000111.4A57 D58 E59 L63 Y64 E65 M91A57-H61 PolarHBondContact O-N 2.91Å; D58-H61 WeakPolarHBondContact O-CB 3.4Å; D58-H61 PolarHBondContact O-N 3.11Å; E59-H61 VanDerWaalsContact C-N 3.34Å; H61-L63 VanDerWaalsContact C-N 3.31Å; H61-L63 PolarHBondContact O-N 3.13Å; H61-Y64 PolarHBondContact O-N 2.81Å; H61-E65 VanDerWaalsContact O-CB 3.28Å; H61-E65 WeakPolarHBondContact O-CB 3.49Å; H61-E65 PolarHBondContact O-N 3.42Å; H61-M91 HydrophobicContact CB-CE 3.99Å; H61-M91 HydrophobicContact CB-SD 4.29Å
62V98.6Very high97.7Very high95 Ų9570.8 Ų70.858%0.57639%0.387SS*.Hα-helixtrans-56.5-44.3176.9168.40000111.6D58 E59 L60 G66D58-V62 WeakPolarHBondContact O-CG2 3.31Å; D58-V62 PolarHBondContact O-N 3.33Å; E59-V62 PolarHBondContact O-N 3.4Å; L60-V62 VanDerWaalsContact C-N 3.34Å; L60-V62 PolarHBondContact O-N 3.11Å; V62-G66 PolarHBondContact O-N 2.99Å
63L98.8Very high97.7Very high83 Ų8370.3 Ų70.344%0.43537%0.374SS..Hα-helixtrans-65.6-45.7177.6-65.2178.5000111.8I36 L55 E59 L60 H61 G66 I67I36-L63 HydrophobicContact CG2-CD1 3.84Å; L55-L63 HydrophobicContact CD2-CD1 3.91Å; E59-L63 WeakPolarHBondContact O-CG 3.33Å; E59-L63 PolarHBondContact O-N 3.04Å; E59-L63 VanDerWaalsContact O-N 3.17Å; L60-L63 PolarHBondContact O-N 2.87Å; H61-L63 VanDerWaalsContact C-N 3.31Å; H61-L63 PolarHBondContact O-N 3.13Å; L63-G66 PolarHBondContact O-N 3.41Å; L63-I67 PolarHBondContact O-N 2.8Å
64Y98.6Very high97.8Very high10 Ų1069.6 Ų69.64%0.03937%0.37CS..Hα-helixtrans-65.5-41.4179.5-174.4-109.7000112.2L60 H61 G66 I67 K68 H73 I95 E98 L99L60-Y64 PolarHBondContact O-N 3.03Å; H61-Y64 PolarHBondContact O-N 2.81Å; Y64-G66 VanDerWaalsContact C-N 3.3Å; Y64-G66 PolarHBondContact O-N 2.99Å; Y64-I67 HydrophobicContact CD2-CD1 3.81Å; Y64-I67 HydrophobicContact CD2-CG1 4.11Å; Y64-I67 HydrophobicContact CE2-CD1 4.16Å; Y64-I67 WeakPolarHBondContact O-CG1 3.48Å; Y64-I67 PolarHBondContact O-N 2.92Å; Y64-K68 HydrophobicContact CE1-CD 4.44Å; Y64-K68 WeakPolarHBondContact O-CB 3.38Å; Y64-K68 PolarHBondContact O-N 2.94Å; Y64-H73 HydrophobicContact CE2-CB 4.47Å; Y64-I95 HydrophobicContact CD1-CD1 4.28Å; Y64-I95 HydrophobicContact CD1-CG1 3.8Å; Y64-I95 HydrophobicContact CD2-CD1 4.1Å; Y64-I95 HydrophobicContact CD2-CG1 4.05Å; Y64-I95 HydrophobicContact CD2-CG2 3.82Å; Y64-I95 HydrophobicContact CE1-CG1 4.05Å; Y64-I95 HydrophobicContact CE2-CB 4.45Å; Y64-I95 HydrophobicContact CE2-CG1 4.31Å; Y64-I95 HydrophobicContact CE2-CG2 3.55Å; Y64-I95 HydrophobicContact CG-CD1 3.82Å; Y64-I95 HydrophobicContact CG-CG1 3.79Å; Y64-I95 HydrophobicContact CG-CG2 4.44Å; Y64-E98 PolarHBondContact OH-OE1 2.83Å; Y64-L99 HydrophobicContact CE2-CD1 4.49Å; Y64-L99 HydrophobicContact CE2-CD2 4.15Å; Y64-L99 HydrophobicContact CE2-CG 4.37Å; Y64-L99 WeakPolarHBondContact OH-CD2 3.3Å
65E98.6Very high97.9Very high88 Ų8867.9 Ų67.941%0.41136%0.359SS..Hα-helixtrans-60.3-42.1173.6-174.3-178.2-170.600110.6H61 I67 K68 L69H61-E65 VanDerWaalsContact O-CB 3.28Å; H61-E65 WeakPolarHBondContact O-CB 3.49Å; H61-E65 PolarHBondContact O-N 3.42Å; E65-I67 PolarHBondContact O-N 3.26Å; E65-K68 WeakPolarHBondContact O-CB 3.41Å; E65-K68 PolarHBondContact O-N 3.06Å; E65-K68 VanDerWaalsContact O-N 3.13Å; E65-L69 HydrophobicContact CG-CD1 3.94Å; E65-L69 HydrophobicContact CG-CG 4.13Å; E65-L69 WeakPolarHBondContact O-CB 3.41Å; E65-L69 VanDerWaalsContact O-CG 3.3Å; E65-L69 WeakPolarHBondContact O-CG 3.32Å; E65-L69 PolarHBondContact O-N 3.49Å
66G98.7Very high98.1Very high29 Ų2969.2 Ų69.230%0.29937%0.367SS..Hα-helixtrans-55.6-47.7175.900000113.3V62 L63 Y64 K68 N70V62-G66 PolarHBondContact O-N 2.99Å; L63-G66 PolarHBondContact O-N 3.41Å; Y64-G66 VanDerWaalsContact C-N 3.3Å; Y64-G66 PolarHBondContact O-N 2.99Å; G66-K68 VanDerWaalsContact C-N 3.35Å; G66-N70 PolarHBondContact O-N 2.84Å; G66-N70 PolarHBondContact O-ND2 3.08Å
67I97.8Very high98.1Very high40 Ų4067 Ų6721%0.20535%0.351CS..Hα-helixtrans-71.5-31.2176.962.7170.4000112.2L63 Y64 E65 N70 N71 V72 H73 Y75L63-I67 PolarHBondContact O-N 2.8Å; Y64-I67 HydrophobicContact CD2-CD1 3.81Å; Y64-I67 HydrophobicContact CD2-CG1 4.11Å; Y64-I67 HydrophobicContact CE2-CD1 4.16Å; Y64-I67 WeakPolarHBondContact O-CG1 3.48Å; Y64-I67 PolarHBondContact O-N 2.92Å; E65-I67 PolarHBondContact O-N 3.26Å; I67-N70 PolarHBondContact O-N 2.71Å; I67-N71 PolarHBondContact O-N 3.18Å; I67-V72 HydrophobicContact CB-CG2 4Å; I67-V72 HydrophobicContact CG2-CG2 4.38Å; I67-V72 WeakPolarHBondContact O-CG2 3.33Å; I67-V72 PolarHBondContact O-N 2.68Å; I67-H73 HydrophobicContact CD1-CB 4.17Å; I67-H73 HydrophobicContact CG1-CB 4.18Å; I67-Y75 HydrophobicContact CD1-CE2 3.98Å
68K97.8Very high98.2Very high86 Ų8666.6 Ų66.637%0.37435%0.347SS..Hα-helixtrans-66.4-47.2176.4-174173.3178.3168.20112Y64 E65 G66 N70 N71 E98Y64-K68 HydrophobicContact CE1-CD 4.44Å; Y64-K68 WeakPolarHBondContact O-CB 3.38Å; Y64-K68 PolarHBondContact O-N 2.94Å; E65-K68 WeakPolarHBondContact O-CB 3.41Å; E65-K68 PolarHBondContact O-N 3.06Å; E65-K68 VanDerWaalsContact O-N 3.13Å; G66-K68 VanDerWaalsContact C-N 3.35Å; K68-N70 PolarHBondContact O-N 2.7Å; K68-N71 WeakPolarHBondContact O-CA 3.13Å; K68-N71 PolarHBondContact O-N 2.92Å; K68-E98 WeakPolarHBondContact CD-OE1 3.35Å; K68-E98 WeakPolarHBondContact CE-OE1 3.39Å; K68-E98 IonicContact NZ-OE1 2.69Å; K68-E98 PolarHBondContact NZ-OE1 3.43Å; K68-E98 IonicContact NZ-OE2 2.96Å; K68-E98 PolarHBondContact NZ-OE2 2.75Å
69L98.5Very high98.3Very high124 Ų12460.7 Ų60.765%0.64932%0.316SS*.Hα-helixtrans-60.2-30.8177.3-72.6172.1000112.6E65 N71E65-L69 HydrophobicContact CG-CD1 3.94Å; E65-L69 HydrophobicContact CG-CG 4.13Å; E65-L69 WeakPolarHBondContact O-CB 3.41Å; E65-L69 VanDerWaalsContact O-CG 3.3Å; E65-L69 WeakPolarHBondContact O-CG 3.32Å; E65-L69 PolarHBondContact O-N 3.49Å; L69-N71 VanDerWaalsContact C-N 3.3Å
70N98.4Very high98.3Very high119 Ų11956.4 Ų56.464%0.63630%0.296SS*.THydrogen-bonded Turntrans-85.80.8175.5-73.7-69.5000113.6G66 I67 K68 V72G66-N70 PolarHBondContact O-N 2.84Å; G66-N70 PolarHBondContact O-ND2 3.08Å; I67-N70 PolarHBondContact O-N 2.71Å; K68-N70 PolarHBondContact O-N 2.7Å; N70-V72 HydrophobicContact CB-CG2 3.92Å; N70-V72 PolarHBondContact O-N 3.09Å
71N97.3Very high98Very high116 Ų11656.5 Ų56.562%0.6230%0.296SS*.THydrogen-bonded Turntrans56.132.9-176.2-56.8-65.7000114I67 K68 L69 Q74I67-N71 PolarHBondContact O-N 3.18Å; K68-N71 WeakPolarHBondContact O-CA 3.13Å; K68-N71 PolarHBondContact O-N 2.92Å; L69-N71 VanDerWaalsContact C-N 3.3Å; N71-Q74 PolarHBondContact O-NE2 3.22Å; N71-Q74 PolarHBondContact O-OE1 3.14Å
72V97.5Very high97.4Very high77 Ų7755.3 Ų55.347%0.46729%0.289SS..  trans-115.132.2179.5-63.70000112.3I67 N70I67-V72 HydrophobicContact CB-CG2 4Å; I67-V72 HydrophobicContact CG2-CG2 4.38Å; I67-V72 WeakPolarHBondContact O-CG2 3.33Å; I67-V72 PolarHBondContact O-N 2.68Å; N70-V72 HydrophobicContact CB-CG2 3.92Å; N70-V72 PolarHBondContact O-N 3.09Å
73H96.6Very high96.8Very high30 Ų3051 Ų5114%0.13926%0.263CS..  trans-100.625.2-178.363.9-76.6000112.4Y64 I67 Y75 L99Y64-H73 HydrophobicContact CE2-CB 4.47Å; I67-H73 HydrophobicContact CD1-CB 4.17Å; I67-H73 HydrophobicContact CG1-CB 4.18Å; H73-Y75 WeakPolarHBondContact O-CD2 3.45Å; H73-L99 HydrophobicContact CB-CD2 4.42Å; H73-L99 WeakPolarHBondContact O-CD2 3.4Å
74Q97.5Very high96.1Very high115 Ų11552.4 Ų52.454%0.53726%0.262SS..  trans-91.2122.9177.3-56.980.59.500109.7R4 N71R4-Q74 WeakPolarHBondContact CD-O 3.49Å; N71-Q74 PolarHBondContact O-NE2 3.22Å; N71-Q74 PolarHBondContact O-OE1 3.14Å
75Y98.6Very high95.8Very high6 Ų654.9 Ų54.92%0.02428%0.277CS..  trans-132.6150.1-176.9-68.1-75.5000110.7R4 L6 D34 I67 H73 L99 N103R4-Y75 HydrophobicContact CB-CD1 4.28Å; R4-Y75 HydrophobicContact CG-CD1 3.62Å; R4-Y75 HydrophobicContact CG-CE1 3.67Å; L6-Y75 HydrophobicContact CB-CD1 3.61Å; L6-Y75 HydrophobicContact CB-CD2 3.99Å; L6-Y75 HydrophobicContact CB-CE1 3.67Å; L6-Y75 HydrophobicContact CB-CE2 4.02Å; L6-Y75 HydrophobicContact CB-CG 3.8Å; L6-Y75 HydrophobicContact CD1-CE1 4.41Å; L6-Y75 HydrophobicContact CD1-CE2 4.4Å; L6-Y75 HydrophobicContact CD2-CD2 4.2Å; L6-Y75 HydrophobicContact CD2-CE2 3.97Å; L6-Y75 HydrophobicContact CG-CE2 4.35Å; D34-Y75 HydrophobicContact CB-CE1 3.88Å; D34-Y75 WeakPolarHBondContact OD2-CE1 3.33Å; D34-Y75 PolarHBondContact OD2-OH 2.79Å; I67-Y75 HydrophobicContact CD1-CE2 3.98Å; H73-Y75 WeakPolarHBondContact O-CD2 3.45Å; Y75-L99 HydrophobicContact CD2-CD1 3.96Å; Y75-L99 HydrophobicContact CD2-CD2 3.97Å; Y75-N103 PolarHBondContact O-ND2 2.82Å
76D98.8Very high95.6Very high59 Ų5952.1 Ų52.132%0.31627%0.265SS..SBendtrans-95.5-31.3170.9-58.1-67.4000110.8C3 R4 L106 V107C3-D76 WeakPolarHBondContact CA-OD2 3.43Å; R4-D76 PolarHBondContact N-OD2 2.87Å; R4-D76 PolarHBondContact O-N 2.9Å; D76-L106 WeakPolarHBondContact O-CA 3.35Å; D76-V107 PolarHBondContact O-N 2.84Å
77Y98.9Very high95.5Very high22 Ų2253.4 Ų53.49%0.08627%0.27CS..EExtended strand (participates in β ladder)trans-133.2149.8177.3-68.6-98.9000112.2C3 R4 V5 L6 F31 V107 V109 L236 H240C3-Y77 VanDerWaalsContact SG-CD2 3.55Å; C3-Y77 WeakPolarHBondContact SG-CE2 3.5Å; R4-Y77 PolarHBondContact O-N 3.43Å; R4-Y77 VanDerWaalsContact O-N 3.08Å; V5-Y77 WeakPolarHBondContact CA-O 3.2Å; L6-Y77 PolarHBondContact N-O 3.39Å; F31-Y77 HydrophobicContact CE1-CE2 4.49Å; Y77-V107 WeakPolarHBondContact CA-O 3.33Å; Y77-V107 HydrophobicContact CD1-CB 3.57Å; Y77-V107 HydrophobicContact CD1-CG1 3.85Å; Y77-V107 HydrophobicContact CE1-CB 3.47Å; Y77-V107 VanDerWaalsContact CE1-CB 3.47Å; Y77-V107 HydrophobicContact CE1-CG1 3.64Å; Y77-V107 HydrophobicContact CE1-CG2 4.04Å; Y77-V107 HydrophobicContact CG-CB 4.41Å; Y77-V109 HydrophobicContact CD1-CG2 4.3Å; Y77-L236 HydrophobicContact CD1-CD1 3.95Å; Y77-L236 HydrophobicContact CD1-CD2 3.85Å; Y77-L236 HydrophobicContact CD1-CG 3.64Å; Y77-L236 HydrophobicContact CD2-CD2 4.36Å; Y77-L236 HydrophobicContact CE1-CD2 4.11Å; Y77-L236 HydrophobicContact CE1-CG 4.04Å; Y77-L236 HydrophobicContact CG-CD1 4.2Å; Y77-L236 HydrophobicContact CG-CD2 4.01Å; Y77-L236 HydrophobicContact CG-CG 4.17Å; Y77-H240 AromaticContact CE2-ND1 3.63Å; Y77-H240 AromaticContact CZ-ND1 3.71Å; Y77-H240 WeakPolarHBondContact OH-CB 3.37Å; Y77-H240 PolarHBondContact OH-ND1 2.6Å
78V98.9Very high95.4Very high0 Ų051.7 Ų51.70%026%0.261CS..EExtended strand (participates in β ladder)trans-116.7137.1159.5177.20000107.9L6 T80 V96 L99 L106 V107 Y108 V109L6-V78 HydrophobicContact CB-CG2 4.32Å; L6-V78 CarbonylContact O-C 3.53Å; L6-V78 WeakPolarHBondContact O-CA 3.3Å; V78-T80 HydrophobicContact CG1-CG2 4.04Å; V78-V96 HydrophobicContact CB-CG2 4.31Å; V78-V96 HydrophobicContact CG1-CG2 3.86Å; V78-V96 HydrophobicContact CG2-CG2 4.35Å; V78-L99 HydrophobicContact CG2-CD1 3.76Å; V78-L106 HydrophobicContact CG2-CD1 4.14Å; V78-L106 HydrophobicContact CG2-CD2 4.03Å; V78-V107 PolarHBondContact N-O 3.04Å; V78-Y108 HydrophobicContact CB-CD2 3.87Å; V78-Y108 HydrophobicContact CG1-CD2 3.82Å; V78-Y108 HydrophobicContact CG1-CE2 4.02Å; V78-V109 PolarHBondContact O-N 3.42Å
79L98.9Very high95.3Very high1 Ų147.6 Ų47.61%0.00524%0.243CC..EExtended strand (participates in β ladder)trans-123.9124.1174.4177.262.2000109.5V5 L6 S7 I8 Q9 A22 L26 V109 A232 A233 L236V5-L79 HydrophobicContact CG1-CB 4.1Å; L6-L79 PolarHBondContact O-N 3.13Å; S7-L79 CarbonylContact C-O 3.6Å; S7-L79 WeakPolarHBondContact CA-O 3.47Å; I8-L79 PolarHBondContact N-O 2.96Å; Q9-L79 VanDerWaalsContact NE2-CD2 3.28Å; A22-L79 HydrophobicContact CB-CD2 3.98Å; L26-L79 HydrophobicContact CD1-CD2 4.16Å; L79-V109 WeakPolarHBondContact CA-O 3.46Å; L79-V109 HydrophobicContact CD1-CB 3.87Å; L79-V109 HydrophobicContact CD1-CG1 3.76Å; L79-A232 HydrophobicContact CD1-CB 4.02Å; L79-A233 HydrophobicContact CD2-CB 4.15Å; L79-L236 HydrophobicContact CB-CD1 4.09Å; L79-L236 HydrophobicContact CD2-CD1 4.43Å
80T98.5Very high95.3Very high2 Ų244.7 Ų44.71%0.01223%0.226CC..EExtended strand (participates in β ladder)trans-129.2150.2176.465.30000111.3I8 V78 V92 Y108 V109 D111I8-T80 HydrophobicContact CB-CG2 4.31Å; V78-T80 HydrophobicContact CG1-CG2 4.04Å; T80-V92 HydrophobicContact CG2-CG1 3.62Å; T80-Y108 HydrophobicContact CG2-CE2 3.55Å; T80-Y108 WeakPolarHBondContact OG1-CE2 3.4Å; T80-Y108 PolarHBondContact OG1-OH 3.29Å; T80-V109 PolarHBondContact N-O 2.89Å; T80-D111 PolarHBondContact O-N 3.47Å
81G92.1Very high95.3Very high1 Ų140.9 Ų40.91%0.0121%0.205CC..  trans-143.1-132.8174.200000111.3T83 Y130G81-T83 PolarHBondContact O-N 2.76Å; G81-T83 PolarHBondContact O-OG1 3.32Å; G81-Y130 PolarHBondContact O-OH 3.4Å
82Y86.6Confident95.3Very high59 Ų5935.4 Ų35.423%0.23118%0.176CC..  trans-47120.8-174.7179.5-91.7000113.9R84 V113 Y121 V122Y82-R84 HydrophobicContact CE1-CB 4.32Å; Y82-V113 HydrophobicContact CD2-CG1 3.98Å; Y82-Y121 HydrophobicContact CD2-CE2 4.37Å; Y82-Y121 HydrophobicContact CE2-CE2 4.29Å; Y82-V122 HydrophobicContact CD2-CG1 4.35Å; Y82-V122 HydrophobicContact CE2-CG1 3.91Å
83T86.6Confident95.4Very high4 Ų432 Ų323%0.02516%0.155CC..  trans-133.8146.9172.4-63.20000109.2G81 D85 F88 L89 L126G81-T83 PolarHBondContact O-N 2.76Å; G81-T83 PolarHBondContact O-OG1 3.32Å; T83-D85 WeakPolarHBondContact CG2-O 3.38Å; T83-F88 HydrophobicContact CG2-CB 4.24Å; T83-F88 HydrophobicContact CG2-CD1 3.67Å; T83-F88 HydrophobicContact CG2-CG 4.3Å; T83-L89 HydrophobicContact CG2-CB 4.01Å; T83-L89 HydrophobicContact CG2-CD1 4.49Å; T83-L126 WeakPolarHBondContact O-CD1 3.46Å
84R84.1Confident95.5Very high112 Ų11234.8 Ų34.842%0.42317%0.171SC..  trans-120.4-1.8-178.571.7172.3-146.8166.70.8114.7V54 Y82V54-R84 VanDerWaalsContact CG2-NH2 3.34Å; Y82-R84 HydrophobicContact CE1-CB 4.32Å
85D91.3Very high95.5Very high63 Ų6329.4 Ų29.434%0.33715%0.146SC..  trans-129.9130.4-171.8-178.5-93.1000111T83 S87 F88 L89T83-D85 WeakPolarHBondContact CG2-O 3.38Å; D85-S87 WeakPolarHBondContact OD1-CA 3.36Å; D85-S87 WeakPolarHBondContact OD1-CB 3.42Å; D85-S87 PolarHBondContact OD1-N 3.01Å; D85-S87 PolarHBondContact OD1-OG 2.95Å; D85-F88 HydrophobicContact CB-CB 3.87Å; D85-F88 PolarHBondContact O-N 3.01Å; D85-F88 PolarHBondContact OD1-N 3.21Å; D85-L89 PolarHBondContact O-N 2.87Å; D85-L89 VanDerWaalsContact O-N 3.08Å
86T94.1Very high95.5Very high29 Ų2929.1 Ų29.118%0.17815%0.145CC..Hα-helixtrans-64.2-46-177.8-71.50000111.5F88 L89 E90 N125 V129T86-F88 VanDerWaalsContact C-N 3.28Å; T86-F88 PolarHBondContact O-N 2.97Å; T86-L89 PolarHBondContact O-N 3.33Å; T86-E90 HydrophobicContact CG2-CG 4.33Å; T86-E90 WeakPolarHBondContact O-CG 3.36Å; T86-E90 PolarHBondContact O-N 3.23Å; T86-N125 PolarHBondContact OG1-ND2 2.81Å; T86-N125 PolarHBondContact OG1-O 2.85Å; T86-V129 HydrophobicContact CG2-CG2 3.71Å
87S96.4Very high95.5Very high56 Ų5629.9 Ų29.939%0.39215%0.146SC..Hα-helixtrans-65.3-35.6-178.367.60000111.6A57 D85 E90 M91A57-S87 WeakPolarHBondContact CB-OG 3.46Å; D85-S87 WeakPolarHBondContact OD1-CA 3.36Å; D85-S87 WeakPolarHBondContact OD1-CB 3.42Å; D85-S87 PolarHBondContact OD1-N 3.01Å; D85-S87 PolarHBondContact OD1-OG 2.95Å; S87-E90 PolarHBondContact O-N 3.09Å; S87-M91 WeakPolarHBondContact O-CB 3.32Å; S87-M91 PolarHBondContact O-N 3.33Å
88F96.6Very high95.5Very high4 Ų431.1 Ų31.12%0.01815%0.153CC..Hα-helixtrans-61.8-48.1173-169.6-80.7000111.2I8 S38 L55 L60 T83 D85 T86 E90 M91 V92I8-F88 HydrophobicContact CG2-CE1 3.85Å; I8-F88 HydrophobicContact CG2-CZ 3.84Å; S38-F88 VanDerWaalsContact CB-CZ 3.45Å; L55-F88 HydrophobicContact CB-CE2 4.09Å; L55-F88 HydrophobicContact CD2-CE2 4.03Å; L55-F88 HydrophobicContact CG-CE2 4.28Å; L55-F88 WeakPolarHBondContact O-CD2 3.46Å; L60-F88 HydrophobicContact CB-CD2 4.24Å; L60-F88 HydrophobicContact CB-CE2 3.82Å; L60-F88 HydrophobicContact CB-CZ 4.43Å; L60-F88 HydrophobicContact CD1-CZ 4.37Å; L60-F88 HydrophobicContact CD2-CD1 4.3Å; L60-F88 HydrophobicContact CD2-CD2 4.1Å; L60-F88 HydrophobicContact CD2-CE1 4.05Å; L60-F88 HydrophobicContact CD2-CE2 3.83Å; L60-F88 HydrophobicContact CD2-CG 4.33Å; L60-F88 HydrophobicContact CD2-CZ 3.8Å; L60-F88 HydrophobicContact CG-CE2 4.28Å; L60-F88 HydrophobicContact CG-CZ 4.44Å; T83-F88 HydrophobicContact CG2-CB 4.24Å; T83-F88 HydrophobicContact CG2-CD1 3.67Å; T83-F88 HydrophobicContact CG2-CG 4.3Å; D85-F88 HydrophobicContact CB-CB 3.87Å; D85-F88 PolarHBondContact O-N 3.01Å; D85-F88 PolarHBondContact OD1-N 3.21Å; T86-F88 VanDerWaalsContact C-N 3.28Å; T86-F88 PolarHBondContact O-N 2.97Å; F88-E90 VanDerWaalsContact C-N 3.33Å; F88-E90 PolarHBondContact O-N 3.17Å; F88-M91 PolarHBondContact O-N 3.35Å; F88-V92 HydrophobicContact CD1-CG2 3.96Å; F88-V92 HydrophobicContact CE1-CG2 3.76Å; F88-V92 WeakPolarHBondContact O-CG2 3.3Å; F88-V92 PolarHBondContact O-N 3.48Å
89L95.9Very high95.5Very high1 Ų131.3 Ų31.31%0.00515%0.154CC..Hα-helixtrans-66-36.1-179.8-169.758.5000112.1T83 D85 T86 V92 V93 L126 V129 Y130 V134T83-L89 HydrophobicContact CG2-CB 4.01Å; T83-L89 HydrophobicContact CG2-CD1 4.49Å; D85-L89 PolarHBondContact O-N 2.87Å; D85-L89 VanDerWaalsContact O-N 3.08Å; T86-L89 PolarHBondContact O-N 3.33Å; L89-V92 PolarHBondContact O-N 2.96Å; L89-V93 WeakPolarHBondContact O-CG2 3.5Å; L89-V93 PolarHBondContact O-N 2.95Å; L89-V93 VanDerWaalsContact O-N 3.14Å; L89-L126 HydrophobicContact CB-CD2 4.34Å; L89-L126 HydrophobicContact CD2-CD2 3.98Å; L89-V129 HydrophobicContact CB-CG1 4.08Å; L89-V129 HydrophobicContact CD2-CB 3.95Å; L89-V129 HydrophobicContact CD2-CG1 3.64Å; L89-V129 HydrophobicContact CG-CG1 3.73Å; L89-Y130 HydrophobicContact CD1-CE1 4.32Å; L89-Y130 HydrophobicContact CD2-CD1 4.33Å; L89-Y130 HydrophobicContact CD2-CD2 3.63Å; L89-Y130 HydrophobicContact CD2-CE1 4.24Å; L89-Y130 HydrophobicContact CD2-CE2 3.56Å; L89-Y130 HydrophobicContact CD2-CG 4.05Å; L89-V134 HydrophobicContact CD1-CG2 3.76Å; L89-V134 HydrophobicContact CD2-CG2 3.93Å; L89-V134 HydrophobicContact CG-CG2 3.71Å
90E97.6Very high95.5Very high62 Ų6233.5 Ų33.529%0.2916%0.164SC..Hα-helixtrans-65-43.5173.7-70.7179.8148.500111.8T86 S87 F88 V92 V93 D94 V129 K133T86-E90 HydrophobicContact CG2-CG 4.33Å; T86-E90 WeakPolarHBondContact O-CG 3.36Å; T86-E90 PolarHBondContact O-N 3.23Å; S87-E90 PolarHBondContact O-N 3.09Å; F88-E90 VanDerWaalsContact C-N 3.33Å; F88-E90 PolarHBondContact O-N 3.17Å; E90-V92 VanDerWaalsContact C-N 3.32Å; E90-V92 PolarHBondContact O-N 3.23Å; E90-V93 WeakPolarHBondContact O-CB 3.33Å; E90-V93 PolarHBondContact O-N 2.73Å; E90-V93 VanDerWaalsContact O-N 3.11Å; E90-D94 PolarHBondContact O-N 3.09Å; E90-V129 HydrophobicContact CG-CG1 3.96Å; E90-K133 VanDerWaalsContact CD-NZ 3.34Å; E90-K133 HydrophobicContact CG-CD 4.14Å; E90-K133 IonicContact OE1-NZ 2.67Å; E90-K133 PolarHBondContact OE1-NZ 3.2Å
91M98.3Very high95.5Very high40 Ų4041.5 Ų41.520%0.19719%0.193CC..Hα-helixtrans-61.7-38.8174.3179.961.26600112.1A57 L60 H61 S87 F88 V93 D94 I95A57-M91 HydrophobicContact CB-CB 4.43Å; L60-M91 HydrophobicContact CD2-CB 3.97Å; L60-M91 HydrophobicContact CD2-CG 3.6Å; L60-M91 HydrophobicContact CG-CG 3.95Å; H61-M91 HydrophobicContact CB-CE 3.99Å; H61-M91 HydrophobicContact CB-SD 4.29Å; S87-M91 WeakPolarHBondContact O-CB 3.32Å; S87-M91 PolarHBondContact O-N 3.33Å; F88-M91 PolarHBondContact O-N 3.35Å; M91-V93 VanDerWaalsContact C-N 3.3Å; M91-V93 PolarHBondContact O-N 3.12Å; M91-D94 PolarHBondContact O-N 3.4Å; M91-I95 HydrophobicContact CG-CD1 4.15Å; M91-I95 WeakPolarHBondContact O-CG1 3.33Å; M91-I95 PolarHBondContact O-N 3Å
92V98.4Very high95.7Very high1 Ų145 Ų451%0.00622%0.223CC..Hα-helixtrans-59.2-42.2173.3168.10000111.2I8 L60 T80 F88 L89 E90 I95 V96I8-V92 HydrophobicContact CD1-CG2 4.23Å; I8-V92 HydrophobicContact CG2-CG2 4.2Å; L60-V92 HydrophobicContact CD2-CG2 3.79Å; T80-V92 HydrophobicContact CG2-CG1 3.62Å; F88-V92 HydrophobicContact CD1-CG2 3.96Å; F88-V92 HydrophobicContact CE1-CG2 3.76Å; F88-V92 WeakPolarHBondContact O-CG2 3.3Å; F88-V92 PolarHBondContact O-N 3.48Å; L89-V92 PolarHBondContact O-N 2.96Å; E90-V92 VanDerWaalsContact C-N 3.32Å; E90-V92 PolarHBondContact O-N 3.23Å; V92-I95 PolarHBondContact O-N 2.89Å; V92-V96 HydrophobicContact CG1-CG2 4.45Å; V92-V96 WeakPolarHBondContact O-CG2 3.22Å; V92-V96 PolarHBondContact O-N 2.82Å
93V98.5Very high96.2Very high4 Ų444.1 Ų44.12%0.02422%0.222CC..Hα-helixtrans-62.5-43.7176.1172.90000111.1L89 E90 M91 I95 V96 Q97 K133 V134 V137L89-V93 WeakPolarHBondContact O-CG2 3.5Å; L89-V93 PolarHBondContact O-N 2.95Å; L89-V93 VanDerWaalsContact O-N 3.14Å; E90-V93 WeakPolarHBondContact O-CB 3.33Å; E90-V93 PolarHBondContact O-N 2.73Å; E90-V93 VanDerWaalsContact O-N 3.11Å; M91-V93 VanDerWaalsContact C-N 3.3Å; M91-V93 PolarHBondContact O-N 3.12Å; V93-I95 VanDerWaalsContact C-N 3.34Å; V93-I95 PolarHBondContact O-N 2.79Å; V93-V96 PolarHBondContact O-N 3.08Å; V93-Q97 HydrophobicContact CG1-CG 4.36Å; V93-Q97 WeakPolarHBondContact O-CB 3.25Å; V93-Q97 WeakPolarHBondContact O-CG 3.48Å; V93-Q97 PolarHBondContact O-N 2.94Å; V93-K133 HydrophobicContact CG1-CB 4.32Å; V93-K133 HydrophobicContact CG2-CB 4.08Å; V93-V134 HydrophobicContact CG2-CB 4.39Å; V93-V134 HydrophobicContact CG2-CG2 3.71Å; V93-V137 HydrophobicContact CG1-CG2 4.31Å
94D98.6Very high96.7Very high89 Ų8949 Ų4948%0.47625%0.254SS..Hα-helixtrans-61.5-42.9178.3-69-21.3000111.6E90 M91 Q97 E98E90-D94 PolarHBondContact O-N 3.09Å; M91-D94 PolarHBondContact O-N 3.4Å; D94-Q97 PolarHBondContact O-N 2.98Å; D94-E98 PolarHBondContact O-N 2.92Å
95I98.7Very high97.4Very high3 Ų350.3 Ų50.32%0.01527%0.269CS..Hα-helixtrans-59.8-51.8174-70.9168.8000110.6L6 L60 Y64 M91 V92 V93 Q97 E98 L99L6-I95 HydrophobicContact CD2-CG2 4.29Å; L60-I95 HydrophobicContact CD1-CD1 4.04Å; L60-I95 HydrophobicContact CD2-CD1 4.1Å; L60-I95 HydrophobicContact CG-CD1 3.95Å; Y64-I95 HydrophobicContact CD1-CD1 4.28Å; Y64-I95 HydrophobicContact CD1-CG1 3.8Å; Y64-I95 HydrophobicContact CD2-CD1 4.1Å; Y64-I95 HydrophobicContact CD2-CG1 4.05Å; Y64-I95 HydrophobicContact CD2-CG2 3.82Å; Y64-I95 HydrophobicContact CE1-CG1 4.05Å; Y64-I95 HydrophobicContact CE2-CB 4.45Å; Y64-I95 HydrophobicContact CE2-CG1 4.31Å; Y64-I95 HydrophobicContact CE2-CG2 3.55Å; Y64-I95 HydrophobicContact CG-CD1 3.82Å; Y64-I95 HydrophobicContact CG-CG1 3.79Å; Y64-I95 HydrophobicContact CG-CG2 4.44Å; M91-I95 HydrophobicContact CG-CD1 4.15Å; M91-I95 WeakPolarHBondContact O-CG1 3.33Å; M91-I95 PolarHBondContact O-N 3Å; V92-I95 PolarHBondContact O-N 2.89Å; V93-I95 VanDerWaalsContact C-N 3.34Å; V93-I95 PolarHBondContact O-N 2.79Å; I95-Q97 VanDerWaalsContact C-N 3.3Å; I95-Q97 PolarHBondContact O-N 2.89Å; I95-E98 PolarHBondContact O-N 2.96Å; I95-E98 VanDerWaalsContact O-N 3.17Å; I95-L99 HydrophobicContact CG2-CD1 3.78Å; I95-L99 HydrophobicContact CG2-CG 4.23Å; I95-L99 VanDerWaalsContact O-CG 3.28Å; I95-L99 WeakPolarHBondContact O-CG 3.34Å; I95-L99 PolarHBondContact O-N 3.37Å
96V98.8Very high97.7Very high0 Ų047.5 Ų47.50%025%0.254CS..Hα-helixtrans-58.3-44-179.8168.30000111.1V78 V92 V93 L99 K100 Y108 V137V78-V96 HydrophobicContact CB-CG2 4.31Å; V78-V96 HydrophobicContact CG1-CG2 3.86Å; V78-V96 HydrophobicContact CG2-CG2 4.35Å; V92-V96 HydrophobicContact CG1-CG2 4.45Å; V92-V96 WeakPolarHBondContact O-CG2 3.22Å; V92-V96 PolarHBondContact O-N 2.82Å; V93-V96 PolarHBondContact O-N 3.08Å; V96-L99 PolarHBondContact O-N 2.89Å; V96-K100 HydrophobicContact CG1-CD 4.37Å; V96-K100 HydrophobicContact CG1-CG 4.43Å; V96-K100 WeakPolarHBondContact O-CB 3.47Å; V96-K100 WeakPolarHBondContact O-CG 3.48Å; V96-K100 PolarHBondContact O-N 3Å; V96-Y108 HydrophobicContact CB-CD1 4.45Å; V96-Y108 HydrophobicContact CG1-CD1 3.64Å; V96-Y108 HydrophobicContact CG1-CE1 4.28Å; V96-Y108 HydrophobicContact CG1-CG 3.94Å; V96-Y108 HydrophobicContact CG2-CD1 4.12Å; V96-Y108 HydrophobicContact CG2-CD2 4.28Å; V96-Y108 HydrophobicContact CG2-CE1 4.15Å; V96-Y108 HydrophobicContact CG2-CE2 4.33Å; V96-Y108 HydrophobicContact CG2-CG 4.2Å; V96-V137 HydrophobicContact CG1-CG2 4.16Å
97Q98.6Very high97.9Very high74 Ų7447.9 Ų47.935%0.34626%0.256SS..Hα-helixtrans-64.9-39.6178.4-72.7-178.3-1.600112.3V93 D94 I95 R101 V137V93-Q97 HydrophobicContact CG1-CG 4.36Å; V93-Q97 WeakPolarHBondContact O-CB 3.25Å; V93-Q97 WeakPolarHBondContact O-CG 3.48Å; V93-Q97 PolarHBondContact O-N 2.94Å; D94-Q97 PolarHBondContact O-N 2.98Å; I95-Q97 VanDerWaalsContact C-N 3.3Å; I95-Q97 PolarHBondContact O-N 2.89Å; Q97-R101 WeakPolarHBondContact O-CG 3.28Å; Q97-R101 PolarHBondContact O-N 2.92Å; Q97-V137 HydrophobicContact CG-CG1 4.04Å
98E98.5Very high98.1Very high49 Ų4945.2 Ų45.223%0.22924%0.237CC..Hα-helixtrans-62-47.4173.6-174.1174.3135.200111.5Y64 K68 D94 I95 K100 R101 A102Y64-E98 PolarHBondContact OH-OE1 2.83Å; K68-E98 WeakPolarHBondContact CD-OE1 3.35Å; K68-E98 WeakPolarHBondContact CE-OE1 3.39Å; K68-E98 IonicContact NZ-OE1 2.69Å; K68-E98 PolarHBondContact NZ-OE1 3.43Å; K68-E98 IonicContact NZ-OE2 2.96Å; K68-E98 PolarHBondContact NZ-OE2 2.75Å; D94-E98 PolarHBondContact O-N 2.92Å; I95-E98 PolarHBondContact O-N 2.96Å; I95-E98 VanDerWaalsContact O-N 3.17Å; E98-K100 PolarHBondContact O-N 3.48Å; E98-R101 WeakPolarHBondContact O-CB 3.31Å; E98-R101 PolarHBondContact O-N 3.35Å; E98-A102 PolarHBondContact O-N 2.98Å; E98-A102 VanDerWaalsContact O-N 3.12Å
99L98.6Very high98.2Very high3 Ų345 Ų452%0.01624%0.237CC..Hα-helixtrans-63-40.4179-65.4177.1000112L6 Y64 H73 Y75 V78 I95 V96 R101 A102 N103 L106L6-L99 HydrophobicContact CD2-CD1 3.88Å; Y64-L99 HydrophobicContact CE2-CD1 4.49Å; Y64-L99 HydrophobicContact CE2-CD2 4.15Å; Y64-L99 HydrophobicContact CE2-CG 4.37Å; Y64-L99 WeakPolarHBondContact OH-CD2 3.3Å; H73-L99 HydrophobicContact CB-CD2 4.42Å; H73-L99 WeakPolarHBondContact O-CD2 3.4Å; Y75-L99 HydrophobicContact CD2-CD1 3.96Å; Y75-L99 HydrophobicContact CD2-CD2 3.97Å; V78-L99 HydrophobicContact CG2-CD1 3.76Å; I95-L99 HydrophobicContact CG2-CD1 3.78Å; I95-L99 HydrophobicContact CG2-CG 4.23Å; I95-L99 VanDerWaalsContact O-CG 3.28Å; I95-L99 WeakPolarHBondContact O-CG 3.34Å; I95-L99 PolarHBondContact O-N 3.37Å; V96-L99 PolarHBondContact O-N 2.89Å; L99-R101 PolarHBondContact O-N 2.87Å; L99-A102 PolarHBondContact O-N 3.3Å; L99-N103 PolarHBondContact O-N 3.46Å; L99-L106 HydrophobicContact CB-CD1 3.56Å; L99-L106 HydrophobicContact CD1-CD1 4.4Å
100K98.6Very high98.3Very high48 Ų4845 Ų4521%0.20924%0.236CC..Hα-helixtrans-65.8-33.1174.3-78.5-166.6164.9-166.30113.3V96 E98 A102 N103 P104 L106 V137 D139V96-K100 HydrophobicContact CG1-CD 4.37Å; V96-K100 HydrophobicContact CG1-CG 4.43Å; V96-K100 WeakPolarHBondContact O-CB 3.47Å; V96-K100 WeakPolarHBondContact O-CG 3.48Å; V96-K100 PolarHBondContact O-N 3Å; E98-K100 PolarHBondContact O-N 3.48Å; K100-A102 VanDerWaalsContact C-N 3.31Å; K100-N103 CarbonylContact O-C 3.54Å; K100-P104 WeakPolarHBondContact O-CA 3.36Å; K100-L106 WeakPolarHBondContact CE-O 3.44Å; K100-L106 HydrophobicContact CG-CB 4.38Å; K100-L106 HydrophobicContact CG-CD2 3.87Å; K100-V137 WeakPolarHBondContact CE-O 3.23Å; K100-V137 PolarHBondContact NZ-O 2.77Å; K100-D139 WeakPolarHBondContact CE-OD2 3.35Å; K100-D139 IonicContact NZ-OD1 3.34Å; K100-D139 PolarHBondContact NZ-OD1 3.34Å; K100-D139 IonicContact NZ-OD2 2.65Å; K100-D139 PolarHBondContact NZ-OD2 3.34Å
101R98.1Very high98.3Very high169 Ų16942.6 Ų42.664%0.63823%0.226SC*.Hα-helixtrans-65.6-36.6172.4-75.5-176-65.5-107.42.5111.6Q97 E98 L99Q97-R101 WeakPolarHBondContact O-CG 3.28Å; Q97-R101 PolarHBondContact O-N 2.92Å; E98-R101 WeakPolarHBondContact O-CB 3.31Å; E98-R101 PolarHBondContact O-N 3.35Å; L99-R101 PolarHBondContact O-N 2.87Å
102A96.5Very high98.2Very high75 Ų7540.7 Ų40.762%0.6222%0.216SC*.Hα-helixtrans-76.5-37.8177.400000112.6E98 L99 K100E98-A102 PolarHBondContact O-N 2.98Å; E98-A102 VanDerWaalsContact O-N 3.12Å; L99-A102 PolarHBondContact O-N 3.3Å; K100-A102 VanDerWaalsContact C-N 3.31Å
103N98.1Very high97.9Very high40 Ų4041.1 Ų41.121%0.21422%0.219CC..  trans-130.995.5176.4179.711.7000110.3Y75 L99 K100 N105 L106Y75-N103 PolarHBondContact O-ND2 2.82Å; L99-N103 PolarHBondContact O-N 3.46Å; K100-N103 CarbonylContact O-C 3.54Å; N103-N105 PolarHBondContact O-N 3.24Å; N103-N105 VanDerWaalsContact O-N 3.08Å; N103-N105 WeakPolarHBondContact OD1-CB 3.47Å; N103-N105 PolarHBondContact OD1-N 3.25Å; N103-N105 VanDerWaalsContact OD1-N 3.09Å; N103-L106 HydrophobicContact CB-CB 4.2Å; N103-L106 VanDerWaalsContact O-CB 3.23Å; N103-L106 WeakPolarHBondContact O-CB 3.41Å; N103-L106 PolarHBondContact O-N 2.83Å
104P97.6Very high97.5Very high108 Ų10840.9 Ų40.970%0.70122%0.218SC*.THydrogen-bonded Turntrans-62.7-14.3178.1-25.936000115K100K100-P104 WeakPolarHBondContact O-CA 3.36Å
105N97.1Very high96.9Very high139 Ų13936.7 Ų36.774%0.74320%0.195SC*.THydrogen-bonded Turntrans-92.7-0.6176.2-59.5-40.9000112.9N103 V107N103-N105 PolarHBondContact O-N 3.24Å; N103-N105 VanDerWaalsContact O-N 3.08Å; N103-N105 WeakPolarHBondContact OD1-CB 3.47Å; N103-N105 PolarHBondContact OD1-N 3.25Å; N103-N105 VanDerWaalsContact OD1-N 3.09Å; N105-V107 PolarHBondContact O-N 2.85Å
106L98.7Very high96.2Very high4 Ų439.5 Ų39.52%0.02121%0.21CC..  trans-61133.1177.3179.1154.9000110.3D76 V78 L99 K100 N103D76-L106 WeakPolarHBondContact O-CA 3.35Å; V78-L106 HydrophobicContact CG2-CD1 4.14Å; V78-L106 HydrophobicContact CG2-CD2 4.03Å; L99-L106 HydrophobicContact CB-CD1 3.56Å; L99-L106 HydrophobicContact CD1-CD1 4.4Å; K100-L106 WeakPolarHBondContact CE-O 3.44Å; K100-L106 HydrophobicContact CG-CB 4.38Å; K100-L106 HydrophobicContact CG-CD2 3.87Å; N103-L106 HydrophobicContact CB-CB 4.2Å; N103-L106 VanDerWaalsContact O-CB 3.23Å; N103-L106 WeakPolarHBondContact O-CB 3.41Å; N103-L106 PolarHBondContact O-N 2.83Å
107V98.8Very high95.1Very high36 Ų3647 Ų4722%0.21825%0.245CC..EExtended strand (participates in β ladder)trans-104.5120.3177.7178.30000110.3D76 Y77 V78 N105 V109 D139 I140D76-V107 PolarHBondContact O-N 2.84Å; Y77-V107 WeakPolarHBondContact CA-O 3.33Å; Y77-V107 HydrophobicContact CD1-CB 3.57Å; Y77-V107 HydrophobicContact CD1-CG1 3.85Å; Y77-V107 HydrophobicContact CE1-CB 3.47Å; Y77-V107 VanDerWaalsContact CE1-CB 3.47Å; Y77-V107 HydrophobicContact CE1-CG1 3.64Å; Y77-V107 HydrophobicContact CE1-CG2 4.04Å; Y77-V107 HydrophobicContact CG-CB 4.41Å; V78-V107 PolarHBondContact N-O 3.04Å; N105-V107 PolarHBondContact O-N 2.85Å; V107-V109 HydrophobicContact CG1-CG2 4.28Å; V107-D139 WeakPolarHBondContact CA-OD2 3.33Å; V107-D139 HydrophobicContact CG1-CB 3.99Å; V107-I140 HydrophobicContact CG1-CD1 4.08Å; V107-I140 HydrophobicContact CG1-CG1 4.1Å
108Y98.9Very high94.1Very high0 Ų046.2 Ų46.20%026%0.257CS..EExtended strand (participates in β ladder)trans-96.5112.3174.4177.6-151.4000110.8V78 T80 V96 C110 V134 V137 A138 D139 I140V78-Y108 HydrophobicContact CB-CD2 3.87Å; V78-Y108 HydrophobicContact CG1-CD2 3.82Å; V78-Y108 HydrophobicContact CG1-CE2 4.02Å; T80-Y108 HydrophobicContact CG2-CE2 3.55Å; T80-Y108 WeakPolarHBondContact OG1-CE2 3.4Å; T80-Y108 PolarHBondContact OG1-OH 3.29Å; V96-Y108 HydrophobicContact CB-CD1 4.45Å; V96-Y108 HydrophobicContact CG1-CD1 3.64Å; V96-Y108 HydrophobicContact CG1-CE1 4.28Å; V96-Y108 HydrophobicContact CG1-CG 3.94Å; V96-Y108 HydrophobicContact CG2-CD1 4.12Å; V96-Y108 HydrophobicContact CG2-CD2 4.28Å; V96-Y108 HydrophobicContact CG2-CE1 4.15Å; V96-Y108 HydrophobicContact CG2-CE2 4.33Å; V96-Y108 HydrophobicContact CG2-CG 4.2Å; Y108-C110 HydrophobicContact CE1-CB 4.19Å; Y108-C110 HydrophobicContact CE2-CB 3.9Å; Y108-V134 HydrophobicContact CE1-CG1 4.01Å; Y108-V134 WeakPolarHBondContact OH-CG1 3.5Å; Y108-V137 HydrophobicContact CD1-CG2 4.06Å; Y108-V137 HydrophobicContact CE1-CG2 4.03Å; Y108-A138 VanDerWaalsContact CD1-CA 3.5Å; Y108-A138 HydrophobicContact CD1-CB 3.9Å; Y108-A138 HydrophobicContact CE1-CB 4.12Å; Y108-D139 PolarHBondContact N-OD2 2.83Å; Y108-D139 PolarHBondContact O-N 3.23Å; Y108-I140 PolarHBondContact O-N 3Å; Y108-I140 VanDerWaalsContact O-N 3.13Å
109V98.9Very high93.2Very high0 Ų047.2 Ų47.20%027%0.269CS..EExtended strand (participates in β ladder)trans-96.4119.3172.2-172.80000109.2Y77 V78 L79 T80 V107 I140 L236Y77-V109 HydrophobicContact CD1-CG2 4.3Å; V78-V109 PolarHBondContact O-N 3.42Å; L79-V109 WeakPolarHBondContact CA-O 3.46Å; L79-V109 HydrophobicContact CD1-CB 3.87Å; L79-V109 HydrophobicContact CD1-CG1 3.76Å; T80-V109 PolarHBondContact N-O 2.89Å; V107-V109 HydrophobicContact CG1-CG2 4.28Å; V109-I140 WeakPolarHBondContact CA-O 3.45Å; V109-I140 HydrophobicContact CB-CB 4.43Å; V109-I140 HydrophobicContact CG1-CB 4.22Å; V109-I140 HydrophobicContact CG1-CG2 4.28Å; V109-I140 HydrophobicContact CG2-CB 4.11Å; V109-I140 HydrophobicContact CG2-CD1 4.08Å; V109-I140 HydrophobicContact CG2-CG1 4.29Å; V109-L236 HydrophobicContact CB-CD1 4.33Å; V109-L236 HydrophobicContact CG2-CB 4.04Å; V109-L236 HydrophobicContact CG2-CD1 3.87Å; V109-L236 HydrophobicContact CG2-CG 3.88Å
110C98.6Very high92.5Very high0 Ų049.3 Ų49.30%028%0.279CS..EExtended strand (participates in β ladder)trans-121121.7-178.9171.50000111Y108 P112 V134 A138 I140 I141 T142Y108-C110 HydrophobicContact CE1-CB 4.19Å; Y108-C110 HydrophobicContact CE2-CB 3.9Å; C110-P112 WeakPolarHBondContact O-CD 3.38Å; C110-V134 HydrophobicContact CB-CG1 4.35Å; C110-V134 VanDerWaalsContact SG-CG1 3.51Å; C110-A138 HydrophobicContact CB-CB 4.01Å; C110-I140 PolarHBondContact N-O 2.83Å; C110-I141 HydrophobicContact CB-CG2 4.22Å; C110-I141 VanDerWaalsContact O-CA 3.25Å; C110-I141 WeakPolarHBondContact O-CA 3.39Å; C110-T142 PolarHBondContact O-N 3.42Å
111D97.8Very high91.8Very high13 Ų1353 Ų537%0.0729%0.293CS..  trans-88.2107.4161.8-171.116.2000109.2T80 V113 T142 A232T80-D111 PolarHBondContact O-N 3.47Å; D111-V113 HydrophobicContact CB-CG2 4.18Å; D111-V113 PolarHBondContact O-N 2.9Å; D111-V113 WeakPolarHBondContact OD2-CG2 3.16Å; D111-T142 WeakPolarHBondContact CA-OG1 3.22Å; D111-T142 WeakPolarHBondContact CB-OG1 3.22Å; D111-T142 PolarHBondContact OD1-OG1 3.2Å; D111-A232 HydrophobicContact CB-CB 4.33Å
112P95.7Very high91.1Very high0 Ų045.5 Ų45.50%027%0.266CS..  trans-82.662.7-171.836.4-36.5000112C110 L114 Y130 P143 L151C110-P112 WeakPolarHBondContact O-CD 3.38Å; P112-L114 WeakPolarHBondContact O-CG 3.34Å; P112-L114 PolarHBondContact O-N 2.87Å; P112-Y130 HydrophobicContact CB-CD1 3.96Å; P112-Y130 HydrophobicContact CB-CE1 4.1Å; P112-P143 HydrophobicContact CG-CB 3.76Å; P112-L151 HydrophobicContact CB-CD1 4.2Å; P112-L151 HydrophobicContact CG-CD1 4.19Å
113V91.9Very high90.7Very high9 Ų944.5 Ų44.56%0.05525%0.253CS..  trans-61.3100-172.6-171.50000111.8Y82 D111 Y121 E147Y82-V113 HydrophobicContact CD2-CG1 3.98Å; D111-V113 HydrophobicContact CB-CG2 4.18Å; D111-V113 PolarHBondContact O-N 2.9Å; D111-V113 WeakPolarHBondContact OD2-CG2 3.16Å; V113-Y121 HydrophobicContact CG1-CE2 3.69Å; V113-Y121 WeakPolarHBondContact CG1-OH 3.48Å; V113-E147 WeakPolarHBondContact CA-OE1 3.49Å
114L89.8Confident90.3Very high0 Ų050 Ų500%028%0.277CS..  trans-119.3-36.3-179.6-68.1160.5000112.3P112 M120 Y121 V122 L126 Y130 E147 L150 L151P112-L114 WeakPolarHBondContact O-CG 3.34Å; P112-L114 PolarHBondContact O-N 2.87Å; L114-M120 HydrophobicContact CB-CE 4.36Å; L114-M120 HydrophobicContact CD2-CE 3.77Å; L114-M120 VanDerWaalsContact O-CA 3.24Å; L114-M120 WeakPolarHBondContact O-CA 3.36Å; L114-M120 WeakPolarHBondContact O-CB 3.37Å; L114-Y121 PolarHBondContact O-N 2.98Å; L114-V122 HydrophobicContact CD2-CG2 4.09Å; L114-V122 WeakPolarHBondContact O-CG2 3.28Å; L114-L126 HydrophobicContact CD2-CB 4.45Å; L114-Y130 HydrophobicContact CD2-CD2 3.61Å; L114-Y130 HydrophobicContact CD2-CE2 4.1Å; L114-Y130 HydrophobicContact CD2-CG 4.44Å; L114-Y130 HydrophobicContact CG-CD2 4.11Å; L114-Y130 HydrophobicContact CG-CE2 4.45Å; L114-E147 HydrophobicContact CB-CG 4.15Å; L114-E147 PolarHBondContact N-OE1 3.13Å; L114-L150 HydrophobicContact CB-CD2 4.17Å; L114-L150 HydrophobicContact CD1-CD2 3.91Å; L114-L151 HydrophobicContact CD1-CD2 4.25Å; L114-L151 HydrophobicContact CD1-CG 4.39Å
115G86.6Confident90.1Very high0 Ų049.2 Ų49.20%027%0.267CS..EExtended strand (participates in β ladder)trans174.8175.3-169.400000113.8S119 Y121 N144 E147G115-S119 CarbonylContact C-O 3.54Å; G115-S119 WeakPolarHBondContact CA-O 3.44Å; G115-Y121 VanDerWaalsContact C-CE1 3.5Å; G115-Y121 VanDerWaalsContact CA-CE1 3.43Å; G115-N144 PolarHBondContact O-ND2 3.05Å; G115-E147 PolarHBondContact N-OE1 2.98Å
116D83.8Confident89.8Confident62 Ų6242.6 Ų42.633%0.33223%0.232SC..EExtended strand (participates in β ladder)trans-150.8161.8174.9-159.1-3.4000109.4G118 S119 Y121D116-G118 PolarHBondContact O-N 3.34Å; D116-G118 VanDerWaalsContact O-N 3.11Å; D116-S119 PolarHBondContact N-O 2.83Å; D116-S119 PolarHBondContact O-N 2.75Å; D116-S119 VanDerWaalsContact O-O 3.07Å; D116-S119 PolarHBondContact O-OG 2.9Å; D116-Y121 HydrophobicContact CB-CE1 4.2Å
117H76.6Confident89.6Confident158 Ų15845.1 Ų45.173%0.73124%0.241SC*.THydrogen-bonded Turntrans48.641.4175.6-60-54.3000114.5S119H117-S119 VanDerWaalsContact C-N 3.35Å; H117-S119 PolarHBondContact O-N 2.92Å
118G77.5Confident89.4Confident58 Ų5846.2 Ų46.260%0.59825%0.249SC*.THydrogen-bonded Turntrans81.67.2175.700000115.1D116 F146D116-G118 PolarHBondContact O-N 3.34Å; D116-G118 VanDerWaalsContact O-N 3.11Å; G118-F146 VanDerWaalsContact CA-CD2 3.49Å
119S78.8Confident89.3Confident69 Ų6946.6 Ų46.648%0.48325%0.252SS..EExtended strand (participates in β ladder)trans-136.1137.1-18067.10000112.9G115 D116 H117G115-S119 CarbonylContact C-O 3.54Å; G115-S119 WeakPolarHBondContact CA-O 3.44Å; D116-S119 PolarHBondContact N-O 2.83Å; D116-S119 PolarHBondContact O-N 2.75Å; D116-S119 VanDerWaalsContact O-O 3.07Å; D116-S119 PolarHBondContact O-OG 2.9Å; H117-S119 VanDerWaalsContact C-N 3.35Å; H117-S119 PolarHBondContact O-N 2.92Å
120M84.5Confident89.2Confident48 Ų4846.6 Ų46.624%0.23625%0.252CS..EExtended strand (participates in β ladder)trans-72.4131167.9-67.9-175.36800109.7L114 V122 Q124 F146 L150L114-M120 HydrophobicContact CB-CE 4.36Å; L114-M120 HydrophobicContact CD2-CE 3.77Å; L114-M120 VanDerWaalsContact O-CA 3.24Å; L114-M120 WeakPolarHBondContact O-CA 3.36Å; L114-M120 WeakPolarHBondContact O-CB 3.37Å; M120-V122 HydrophobicContact CE-CG2 3.75Å; M120-Q124 HydrophobicContact SD-CG 4.08Å; M120-F146 HydrophobicContact CG-CE1 4.11Å; M120-F146 HydrophobicContact CG-CZ 4.11Å; M120-L150 HydrophobicContact CG-CD2 4.09Å; M120-L150 HydrophobicContact SD-CD2 3.98Å
121Y84Confident89.2Confident126 Ų12649.3 Ų49.349%0.49426%0.264SS..  trans-105.41.6169.458.4-110.1000112.7Y82 V113 L114 G115 D116Y82-Y121 HydrophobicContact CD2-CE2 4.37Å; Y82-Y121 HydrophobicContact CE2-CE2 4.29Å; V113-Y121 HydrophobicContact CG1-CE2 3.69Å; V113-Y121 WeakPolarHBondContact CG1-OH 3.48Å; L114-Y121 PolarHBondContact O-N 2.98Å; G115-Y121 VanDerWaalsContact C-CE1 3.5Å; G115-Y121 VanDerWaalsContact CA-CE1 3.43Å; D116-Y121 HydrophobicContact CB-CE1 4.2Å
122V84.1Confident89.2Confident10 Ų1054 Ų546%0.06129%0.288CS..SBendtrans-107.4162.2169.2-50.30000110.8Y82 L114 M120 Q124 L126Y82-V122 HydrophobicContact CD2-CG1 4.35Å; Y82-V122 HydrophobicContact CE2-CG1 3.91Å; L114-V122 HydrophobicContact CD2-CG2 4.09Å; L114-V122 WeakPolarHBondContact O-CG2 3.28Å; M120-V122 HydrophobicContact CE-CG2 3.75Å; V122-Q124 PolarHBondContact O-N 3.27Å; V122-L126 HydrophobicContact CB-CD1 3.85Å; V122-L126 HydrophobicContact CG2-CB 4.33Å; V122-L126 HydrophobicContact CG2-CD1 3.77Å
123P87.8Confident89.3Confident55 Ų5558.2 Ų58.236%0.35731%0.307SS..  trans-56.1133.3176.3-28.338.3000113.2N125 L126P123-N125 WeakPolarHBondContact CB-OD1 3.32Å; P123-N125 PolarHBondContact O-N 3.01Å; P123-N125 VanDerWaalsContact O-N 3.09Å; P123-L126 WeakPolarHBondContact O-CB 3.41Å; P123-L126 PolarHBondContact O-N 3.09Å
124Q89.9Confident89.6Confident155 Ų15557.8 Ų57.872%0.72430%0.304SS*.G310 helixtrans-59.2-25.8-175.4-70.3-174.9-10.500113.8M120 V122 L126 Y127M120-Q124 HydrophobicContact SD-CG 4.08Å; V122-Q124 PolarHBondContact O-N 3.27Å; Q124-L126 PolarHBondContact O-N 3.45Å; Q124-Y127 WeakPolarHBondContact O-CB 3.42Å; Q124-Y127 PolarHBondContact O-N 3.31Å
125N91.9Very high90Very high91 Ų9157.8 Ų57.849%0.48730%0.304SS..G310 helixtrans-68-10.1176.457.9-50.5000114.2T86 P123T86-N125 PolarHBondContact OG1-ND2 2.81Å; T86-N125 PolarHBondContact OG1-O 2.85Å; P123-N125 WeakPolarHBondContact CB-OD1 3.32Å; P123-N125 PolarHBondContact O-N 3.01Å; P123-N125 VanDerWaalsContact O-N 3.09Å
126L92.2Very high90.6Very high0 Ų060.6 Ų60.60%032%0.323CS..G310 helixtrans-77.1-28.6171.7-68.5175000112.8T83 L89 L114 V122 P123 Q124 V129 Y130T83-L126 WeakPolarHBondContact O-CD1 3.46Å; L89-L126 HydrophobicContact CB-CD2 4.34Å; L89-L126 HydrophobicContact CD2-CD2 3.98Å; L114-L126 HydrophobicContact CD2-CB 4.45Å; V122-L126 HydrophobicContact CB-CD1 3.85Å; V122-L126 HydrophobicContact CG2-CB 4.33Å; V122-L126 HydrophobicContact CG2-CD1 3.77Å; P123-L126 WeakPolarHBondContact O-CB 3.41Å; P123-L126 PolarHBondContact O-N 3.09Å; Q124-L126 PolarHBondContact O-N 3.45Å; L126-V129 WeakPolarHBondContact O-CB 3.49Å; L126-V129 PolarHBondContact O-N 3.31Å; L126-Y130 HydrophobicContact CB-CD2 4.28Å; L126-Y130 HydrophobicContact CB-CE2 4.42Å; L126-Y130 PolarHBondContact O-N 2.77Å
127Y93Very high91.3Very high57 Ų5758.8 Ų58.822%0.22431%0.313CS..Hα-helixtrans-55.3-50.3-177.4160.5-110000113.1Q124 V129 Y130 K131 L150Q124-Y127 WeakPolarHBondContact O-CB 3.42Å; Q124-Y127 PolarHBondContact O-N 3.31Å; Y127-V129 PolarHBondContact O-N 2.9Å; Y127-Y130 PolarHBondContact O-N 3.31Å; Y127-K131 HydrophobicContact CE2-CB 4.31Å; Y127-K131 HydrophobicContact CE2-CD 4.02Å; Y127-K131 WeakPolarHBondContact O-CB 3.49Å; Y127-K131 PolarHBondContact O-N 2.89Å; Y127-K131 WeakPolarHBondContact OH-CD 3.42Å; Y127-K131 PolarHBondContact OH-NZ 3.41Å; Y127-L150 HydrophobicContact CD2-CD1 4.03Å; Y127-L150 HydrophobicContact CD2-CD2 4.04Å; Y127-L150 HydrophobicContact CD2-CG 3.63Å; Y127-L150 HydrophobicContact CE2-CD1 3.92Å; Y127-L150 HydrophobicContact CE2-CG 3.69Å; Y127-L150 WeakPolarHBondContact CE2-O 3.4Å; Y127-L150 HydrophobicContact CG-CD1 4.46Å; Y127-L150 HydrophobicContact CG-CG 4.41Å; Y127-L150 PolarHBondContact OH-O 2.87Å
128P95.6Very high92.3Very high59 Ų5951.3 Ų51.338%0.38328%0.279SS..Hα-helixtrans-62.1-30.6177.9-23.634.9000113.3N132P128-N132 WeakPolarHBondContact O-CB 3.39Å; P128-N132 VanDerWaalsContact O-CG 3.31Å; P128-N132 PolarHBondContact O-N 2.76Å; P128-N132 PolarHBondContact O-ND2 2.96Å
129V96.8Very high93.3Very high8 Ų850.5 Ų50.55%0.04826%0.261CS..Hα-helixtrans-71.6-48.6179.1-175.70000109.8T86 L89 E90 L126 Y127 K131 N132 K133 V134T86-V129 HydrophobicContact CG2-CG2 3.71Å; L89-V129 HydrophobicContact CB-CG1 4.08Å; L89-V129 HydrophobicContact CD2-CB 3.95Å; L89-V129 HydrophobicContact CD2-CG1 3.64Å; L89-V129 HydrophobicContact CG-CG1 3.73Å; E90-V129 HydrophobicContact CG-CG1 3.96Å; L126-V129 WeakPolarHBondContact O-CB 3.49Å; L126-V129 PolarHBondContact O-N 3.31Å; Y127-V129 PolarHBondContact O-N 2.9Å; V129-K131 VanDerWaalsContact C-N 3.34Å; V129-K131 PolarHBondContact O-N 2.99Å; V129-N132 PolarHBondContact O-N 2.74Å; V129-K133 HydrophobicContact CG1-CB 4.36Å; V129-K133 HydrophobicContact CG1-CD 4.34Å; V129-K133 WeakPolarHBondContact O-CA 3.47Å; V129-K133 WeakPolarHBondContact O-CB 3.26Å; V129-K133 PolarHBondContact O-N 2.94Å; V129-V134 HydrophobicContact CG1-CG2 4.38Å; V129-V134 PolarHBondContact O-N 3.39Å; V129-V134 VanDerWaalsContact O-N 3.11Å
130Y97.1Very high94.3Very high0 Ų047.7 Ų47.70%024%0.241CC..Iπ-helixtrans-56.1-50.6175.3-88.7-71.1000111.3G81 L89 P112 L114 L126 Y127 V134 V135G81-Y130 PolarHBondContact O-OH 3.4Å; L89-Y130 HydrophobicContact CD1-CE1 4.32Å; L89-Y130 HydrophobicContact CD2-CD1 4.33Å; L89-Y130 HydrophobicContact CD2-CD2 3.63Å; L89-Y130 HydrophobicContact CD2-CE1 4.24Å; L89-Y130 HydrophobicContact CD2-CE2 3.56Å; L89-Y130 HydrophobicContact CD2-CG 4.05Å; P112-Y130 HydrophobicContact CB-CD1 3.96Å; P112-Y130 HydrophobicContact CB-CE1 4.1Å; L114-Y130 HydrophobicContact CD2-CD2 3.61Å; L114-Y130 HydrophobicContact CD2-CE2 4.1Å; L114-Y130 HydrophobicContact CD2-CG 4.44Å; L114-Y130 HydrophobicContact CG-CD2 4.11Å; L114-Y130 HydrophobicContact CG-CE2 4.45Å; L126-Y130 HydrophobicContact CB-CD2 4.28Å; L126-Y130 HydrophobicContact CB-CE2 4.42Å; L126-Y130 PolarHBondContact O-N 2.77Å; Y127-Y130 PolarHBondContact O-N 3.31Å; Y130-V134 HydrophobicContact CD1-CB 3.85Å; Y130-V134 HydrophobicContact CD1-CG1 3.89Å; Y130-V134 HydrophobicContact CD1-CG2 3.93Å; Y130-V134 HydrophobicContact CE1-CB 4.49Å; Y130-V134 HydrophobicContact CE1-CG1 4.13Å; Y130-V134 HydrophobicContact CE1-CG2 4.39Å; Y130-V134 HydrophobicContact CG-CG2 4.41Å; Y130-V134 PolarHBondContact O-N 2.87Å; Y130-V135 WeakPolarHBondContact O-CG2 3.37Å; Y130-V135 PolarHBondContact O-N 2.92Å
131K97.1Very high95Very high58 Ų5845.4 Ų45.425%0.25223%0.229SC..Iπ-helixtrans-63.6-45.1-177.2-178.8168.1-179.4149.50113.7Y127 V129 L151 M172Y127-K131 HydrophobicContact CE2-CB 4.31Å; Y127-K131 HydrophobicContact CE2-CD 4.02Å; Y127-K131 WeakPolarHBondContact O-CB 3.49Å; Y127-K131 PolarHBondContact O-N 2.89Å; Y127-K131 WeakPolarHBondContact OH-CD 3.42Å; Y127-K131 PolarHBondContact OH-NZ 3.41Å; V129-K131 VanDerWaalsContact C-N 3.34Å; V129-K131 PolarHBondContact O-N 2.99Å; K131-L151 HydrophobicContact CB-CD2 4.24Å; K131-L151 WeakPolarHBondContact CE-O 3.47Å; K131-L151 PolarHBondContact NZ-O 3.47Å; K131-M172 HydrophobicContact CG-CE 3.85Å
132N97.8Very high95.7Very high110 Ų11039.4 Ų39.459%0.58821%0.206SC*.Iπ-helixtrans-100.3-16.4-168.4-58.6-42.6000114.2P128 V129P128-N132 WeakPolarHBondContact O-CB 3.39Å; P128-N132 VanDerWaalsContact O-CG 3.31Å; P128-N132 PolarHBondContact O-N 2.76Å; P128-N132 PolarHBondContact O-ND2 2.96Å; V129-N132 PolarHBondContact O-N 2.74Å
133K98Very high96.3Very high90 Ų9039 Ų3939%0.39120%0.203SC..Iπ-helixtrans-125.2-43.4-174.7-61.6-173.1173-176.40113.2E90 V93 V129 V137E90-K133 VanDerWaalsContact CD-NZ 3.34Å; E90-K133 HydrophobicContact CG-CD 4.14Å; E90-K133 IonicContact OE1-NZ 2.67Å; E90-K133 PolarHBondContact OE1-NZ 3.2Å; V93-K133 HydrophobicContact CG1-CB 4.32Å; V93-K133 HydrophobicContact CG2-CB 4.08Å; V129-K133 HydrophobicContact CG1-CB 4.36Å; V129-K133 HydrophobicContact CG1-CD 4.34Å; V129-K133 WeakPolarHBondContact O-CA 3.47Å; V129-K133 WeakPolarHBondContact O-CB 3.26Å; V129-K133 PolarHBondContact O-N 2.94Å; K133-V137 WeakPolarHBondContact O-CG2 3.48Å
134V98.3Very high96.8Very high0 Ų037 Ų370%019%0.189CC..Iπ-helixtrans-80.8-58.4-175.4-175.40000112.2L89 V93 Y108 C110 V129 Y130 P136 V137 A138L89-V134 HydrophobicContact CD1-CG2 3.76Å; L89-V134 HydrophobicContact CD2-CG2 3.93Å; L89-V134 HydrophobicContact CG-CG2 3.71Å; V93-V134 HydrophobicContact CG2-CB 4.39Å; V93-V134 HydrophobicContact CG2-CG2 3.71Å; Y108-V134 HydrophobicContact CE1-CG1 4.01Å; Y108-V134 WeakPolarHBondContact OH-CG1 3.5Å; C110-V134 HydrophobicContact CB-CG1 4.35Å; C110-V134 VanDerWaalsContact SG-CG1 3.51Å; V129-V134 HydrophobicContact CG1-CG2 4.38Å; V129-V134 PolarHBondContact O-N 3.39Å; V129-V134 VanDerWaalsContact O-N 3.11Å; Y130-V134 HydrophobicContact CD1-CB 3.85Å; Y130-V134 HydrophobicContact CD1-CG1 3.89Å; Y130-V134 HydrophobicContact CD1-CG2 3.93Å; Y130-V134 HydrophobicContact CE1-CB 4.49Å; Y130-V134 HydrophobicContact CE1-CG1 4.13Å; Y130-V134 HydrophobicContact CE1-CG2 4.39Å; Y130-V134 HydrophobicContact CG-CG2 4.41Å; Y130-V134 PolarHBondContact O-N 2.87Å; V134-P136 VanDerWaalsContact C-CD 3.47Å; V134-P136 VanDerWaalsContact C-N 3.29Å; V134-V137 VanDerWaalsContact O-CG2 3.27Å; V134-V137 WeakPolarHBondContact O-CG2 3.44Å; V134-V137 PolarHBondContact O-N 3.3Å; V134-A138 PolarHBondContact O-N 3.4Å; V134-A138 VanDerWaalsContact O-N 3.14Å
135V98.5Very high97.2Very high0 Ų030.8 Ų30.80%016%0.16CC..G310 helixtrans-56-39.9-178.6175.90000111.7Y130 V137 A138 L151 M172 P174Y130-V135 WeakPolarHBondContact O-CG2 3.37Å; Y130-V135 PolarHBondContact O-N 2.92Å; V135-V137 PolarHBondContact O-N 2.92Å; V135-V137 VanDerWaalsContact O-N 3.13Å; V135-A138 PolarHBondContact O-N 3.12Å; V135-L151 HydrophobicContact CG2-CD1 4.18Å; V135-L151 HydrophobicContact CG2-CD2 4.1Å; V135-M172 HydrophobicContact CB-CE 4.1Å; V135-M172 HydrophobicContact CG1-CB 3.71Å; V135-M172 HydrophobicContact CG1-CE 3.86Å; V135-M172 HydrophobicContact CG1-SD 4.44Å; V135-P174 HydrophobicContact CG1-CG 4.19Å; V135-P174 WeakPolarHBondContact O-CD 3.3Å
136P98.6Very high97.4Very high59 Ų5928.2 Ų28.238%0.38315%0.145SC..G310 helixtrans-62.4-18.3177.4-27.137.9000116.7V134 M172V134-P136 VanDerWaalsContact C-CD 3.47Å; V134-P136 VanDerWaalsContact C-N 3.29Å; P136-M172 VanDerWaalsContact CA-O 3.25Å; P136-M172 WeakPolarHBondContact CA-O 3.11Å
137V98.5Very high97.6Very high23 Ų2328.4 Ų28.414%0.13915%0.146CC..G310 helixtrans-109.9-6.1177.9-57.80000113.3V93 V96 Q97 K100 Y108 K133 V134 V135V93-V137 HydrophobicContact CG1-CG2 4.31Å; V96-V137 HydrophobicContact CG1-CG2 4.16Å; Q97-V137 HydrophobicContact CG-CG1 4.04Å; K100-V137 WeakPolarHBondContact CE-O 3.23Å; K100-V137 PolarHBondContact NZ-O 2.77Å; Y108-V137 HydrophobicContact CD1-CG2 4.06Å; Y108-V137 HydrophobicContact CE1-CG2 4.03Å; K133-V137 WeakPolarHBondContact O-CG2 3.48Å; V134-V137 VanDerWaalsContact O-CG2 3.27Å; V134-V137 WeakPolarHBondContact O-CG2 3.44Å; V134-V137 PolarHBondContact O-N 3.3Å; V135-V137 PolarHBondContact O-N 2.92Å; V135-V137 VanDerWaalsContact O-N 3.13Å
138A98.8Very high97.9Very high2 Ų225.7 Ų25.72%0.01714%0.135CC..  trans-78.3145.5176.600000111.5Y108 C110 V134 V135 I141 P174Y108-A138 VanDerWaalsContact CD1-CA 3.5Å; Y108-A138 HydrophobicContact CD1-CB 3.9Å; Y108-A138 HydrophobicContact CE1-CB 4.12Å; C110-A138 HydrophobicContact CB-CB 4.01Å; V134-A138 PolarHBondContact O-N 3.4Å; V134-A138 VanDerWaalsContact O-N 3.14Å; V135-A138 PolarHBondContact O-N 3.12Å; A138-I141 HydrophobicContact CB-CG2 3.73Å; A138-P174 WeakPolarHBondContact O-CA 3.01Å
139D98.8Very high98Very high41 Ų4124.6 Ų24.622%0.21913%0.125CC..SBendtrans-101.8-32.3175.7-53.6-67000111.2K100 V107 Y108 D175 T176K100-D139 WeakPolarHBondContact CE-OD2 3.35Å; K100-D139 IonicContact NZ-OD1 3.34Å; K100-D139 PolarHBondContact NZ-OD1 3.34Å; K100-D139 IonicContact NZ-OD2 2.65Å; K100-D139 PolarHBondContact NZ-OD2 3.34Å; V107-D139 WeakPolarHBondContact CA-OD2 3.33Å; V107-D139 HydrophobicContact CG1-CB 3.99Å; Y108-D139 PolarHBondContact N-OD2 2.83Å; Y108-D139 PolarHBondContact O-N 3.23Å; D139-D175 PolarHBondContact O-N 2.92Å; D139-T176 PolarHBondContact O-N 2.91Å
140I98.9Very high98Very high9 Ų926.2 Ų26.25%0.04613%0.133CC..EExtended strand (participates in β ladder)trans-128.5130.2176.1-48.5-171.1000108.8V107 Y108 V109 C110 T176 L235 T239V107-I140 HydrophobicContact CG1-CD1 4.08Å; V107-I140 HydrophobicContact CG1-CG1 4.1Å; Y108-I140 PolarHBondContact O-N 3Å; Y108-I140 VanDerWaalsContact O-N 3.13Å; V109-I140 WeakPolarHBondContact CA-O 3.45Å; V109-I140 HydrophobicContact CB-CB 4.43Å; V109-I140 HydrophobicContact CG1-CB 4.22Å; V109-I140 HydrophobicContact CG1-CG2 4.28Å; V109-I140 HydrophobicContact CG2-CB 4.11Å; V109-I140 HydrophobicContact CG2-CD1 4.08Å; V109-I140 HydrophobicContact CG2-CG1 4.29Å; C110-I140 PolarHBondContact N-O 2.83Å; I140-T176 VanDerWaalsContact CA-O 3.3Å; I140-T176 WeakPolarHBondContact CA-O 3.26Å; I140-T176 HydrophobicContact CG2-CG2 4.05Å; I140-L235 HydrophobicContact CG2-CD2 3.91Å; I140-T239 HydrophobicContact CD1-CG2 4.49Å
141I98.9Very high98Very high0 Ų026.2 Ų26.20%013%0.133CC..EExtended strand (participates in β ladder)trans-125.4145.7170.261.5167000112.8C110 A138 P143 L169 P174 T176 V177 V178C110-I141 HydrophobicContact CB-CG2 4.22Å; C110-I141 VanDerWaalsContact O-CA 3.25Å; C110-I141 WeakPolarHBondContact O-CA 3.39Å; A138-I141 HydrophobicContact CB-CG2 3.73Å; I141-P143 HydrophobicContact CD1-CG 4.32Å; I141-P143 WeakPolarHBondContact O-CD 3.44Å; I141-L169 HydrophobicContact CD1-CB 4.13Å; I141-L169 HydrophobicContact CD1-CD1 4.04Å; I141-L169 HydrophobicContact CD1-CD2 3.86Å; I141-L169 HydrophobicContact CD1-CG 4.22Å; I141-P174 HydrophobicContact CD1-CG 3.8Å; I141-P174 HydrophobicContact CG1-CB 4.17Å; I141-P174 HydrophobicContact CG1-CG 3.81Å; I141-P174 HydrophobicContact CG2-CB 4.26Å; I141-P174 HydrophobicContact CG2-CG 4.18Å; I141-T176 PolarHBondContact N-O 3.32Å; I141-V177 HydrophobicContact CD1-CG1 4.23Å; I141-V177 HydrophobicContact CD1-CG2 4.11Å; I141-V177 HydrophobicContact CG1-CB 4.29Å; I141-V177 HydrophobicContact CG1-CG1 4.11Å; I141-V177 HydrophobicContact CG1-CG2 3.88Å; I141-V178 PolarHBondContact O-N 2.74Å
142T98.8Very high98Very high1 Ų124.6 Ų24.61%0.00613%0.128CC..  trans-121.947.9-177.157.50000114.3C110 D111 V178 T180 F231 A232 L235C110-T142 PolarHBondContact O-N 3.42Å; D111-T142 WeakPolarHBondContact CA-OG1 3.22Å; D111-T142 WeakPolarHBondContact CB-OG1 3.22Å; D111-T142 PolarHBondContact OD1-OG1 3.2Å; T142-V178 CarbonylContact C-O 3.56Å; T142-V178 WeakPolarHBondContact CA-O 3.45Å; T142-T180 VanDerWaalsContact O-CG2 3.26Å; T142-T180 WeakPolarHBondContact O-CG2 3.42Å; T142-F231 HydrophobicContact CG2-CD1 4.05Å; T142-F231 HydrophobicContact CG2-CE1 3.96Å; T142-A232 HydrophobicContact CG2-CB 4.39Å; T142-L235 HydrophobicContact CG2-CD2 3.57Å
143P98.3Very high98Very high0 Ų022.3 Ų22.30%013%0.131CC..  trans-63.2153-178.630.7-37000111.8P112 I141 E147 A148 L169 V178 I179 T180P112-P143 HydrophobicContact CG-CB 3.76Å; I141-P143 HydrophobicContact CD1-CG 4.32Å; I141-P143 WeakPolarHBondContact O-CD 3.44Å; P143-E147 WeakPolarHBondContact CA-OE2 3.45Å; P143-E147 HydrophobicContact CB-CB 3.8Å; P143-A148 HydrophobicContact CB-CB 4.15Å; P143-A148 HydrophobicContact CG-CB 4.09Å; P143-L169 HydrophobicContact CG-CD1 4.34Å; P143-V178 WeakPolarHBondContact CD-O 3.37Å; P143-I179 CarbonylContact O-C 3.56Å; P143-I179 VanDerWaalsContact O-CA 3.24Å; P143-I179 WeakPolarHBondContact O-CA 3.35Å; P143-T180 PolarHBondContact O-N 2.68Å; P143-T180 PolarHBondContact O-OG1 3.39Å
144N97.3Very high97.9Very high13 Ų1320.5 Ų20.57%0.0712%0.123CC..  trans-78.1176.115668.647.4000110.9G115 F146 E147 A148G115-N144 PolarHBondContact O-ND2 3.05Å; N144-F146 PolarHBondContact O-N 2.67Å; N144-F146 WeakPolarHBondContact OD1-CA 3.39Å; N144-F146 WeakPolarHBondContact OD1-CB 3.39Å; N144-F146 PolarHBondContact OD1-N 2.68Å; N144-E147 PolarHBondContact N-OE2 2.89Å; N144-E147 PolarHBondContact ND2-OE2 2.78Å; N144-E147 PolarHBondContact O-N 3.01Å; N144-E147 WeakPolarHBondContact OD1-CG 3.48Å; N144-E147 PolarHBondContact OD1-N 3.35Å; N144-A148 WeakPolarHBondContact O-CB 3.45Å; N144-A148 PolarHBondContact O-N 3.24Å
145Q97.4Very high97.9Very high25 Ų2526.5 Ų26.512%0.11716%0.155CC..Hα-helixtrans-54.4-49.4178.4168.3170.3-11.500112.7E147 A148 E149 I156 I179 S181 S182Q145-E147 VanDerWaalsContact C-N 3.3Å; Q145-E147 PolarHBondContact O-N 3.28Å; Q145-A148 PolarHBondContact O-N 3.31Å; Q145-E149 HydrophobicContact CG-CG 4.19Å; Q145-E149 PolarHBondContact NE2-OE1 2.88Å; Q145-E149 VanDerWaalsContact O-CG 3.25Å; Q145-E149 WeakPolarHBondContact O-CG 3.2Å; Q145-E149 PolarHBondContact O-N 2.61Å; Q145-I156 HydrophobicContact CG-CB 4.25Å; Q145-I156 HydrophobicContact CG-CD1 4.28Å; Q145-I156 PolarHBondContact NE2-O 3.43Å; Q145-I179 HydrophobicContact CB-CG2 4.49Å; Q145-S181 WeakPolarHBondContact CB-O 3.45Å; Q145-S181 PolarHBondContact N-O 3.45Å; Q145-S182 VanDerWaalsContact OE1-CA 3.25Å
146F96.4Very high97.9Very high37 Ų3726.9 Ų26.916%0.16216%0.157CC..Hα-helixtrans-59.3-42.9-177.6170.6-100.4000111.7G118 M120 N144 E149 L150G118-F146 VanDerWaalsContact CA-CD2 3.49Å; M120-F146 HydrophobicContact CG-CE1 4.11Å; M120-F146 HydrophobicContact CG-CZ 4.11Å; N144-F146 PolarHBondContact O-N 2.67Å; N144-F146 WeakPolarHBondContact OD1-CA 3.39Å; N144-F146 WeakPolarHBondContact OD1-CB 3.39Å; N144-F146 PolarHBondContact OD1-N 2.68Å; F146-E149 PolarHBondContact O-N 3.15Å; F146-L150 HydrophobicContact CE1-CD2 4.18Å; F146-L150 HydrophobicContact CZ-CD2 4.35Å; F146-L150 VanDerWaalsContact O-CB 3.28Å; F146-L150 WeakPolarHBondContact O-CB 3.36Å; F146-L150 PolarHBondContact O-N 3.28Å
147E97.6Very high97.7Very high4 Ų428.8 Ų28.82%0.01917%0.172CC..Hα-helixtrans-66.9-42.2178.9-65.4169.5156.900111.6V113 L114 G115 P143 N144 Q145 L150 L151V113-E147 WeakPolarHBondContact CA-OE1 3.49Å; L114-E147 HydrophobicContact CB-CG 4.15Å; L114-E147 PolarHBondContact N-OE1 3.13Å; G115-E147 PolarHBondContact N-OE1 2.98Å; P143-E147 WeakPolarHBondContact CA-OE2 3.45Å; P143-E147 HydrophobicContact CB-CB 3.8Å; N144-E147 PolarHBondContact N-OE2 2.89Å; N144-E147 PolarHBondContact ND2-OE2 2.78Å; N144-E147 PolarHBondContact O-N 3.01Å; N144-E147 WeakPolarHBondContact OD1-CG 3.48Å; N144-E147 PolarHBondContact OD1-N 3.35Å; Q145-E147 VanDerWaalsContact C-N 3.3Å; Q145-E147 PolarHBondContact O-N 3.28Å; E147-L150 PolarHBondContact O-N 3.14Å; E147-L151 WeakPolarHBondContact O-CB 3.24Å; E147-L151 VanDerWaalsContact O-CG 3.23Å; E147-L151 WeakPolarHBondContact O-CG 3.42Å; E147-L151 PolarHBondContact O-N 2.95Å
148A98.3Very high97.6Very high0 Ų029.7 Ų29.70%018%0.179CC..Hα-helixtrans-63.1-42.6176.400000111.8P143 N144 Q145 T152 I156 V165 L169 I179P143-A148 HydrophobicContact CB-CB 4.15Å; P143-A148 HydrophobicContact CG-CB 4.09Å; N144-A148 WeakPolarHBondContact O-CB 3.45Å; N144-A148 PolarHBondContact O-N 3.24Å; Q145-A148 PolarHBondContact O-N 3.31Å; A148-T152 WeakPolarHBondContact O-CG2 3.24Å; A148-T152 PolarHBondContact O-N 3.5Å; A148-T152 VanDerWaalsContact O-N 3.12Å; A148-T152 PolarHBondContact O-OG1 3.49Å; A148-I156 HydrophobicContact CB-CD1 4.43Å; A148-V165 HydrophobicContact CB-CG1 3.82Å; A148-L169 HydrophobicContact CB-CD1 4.18Å; A148-I179 HydrophobicContact CB-CD1 4.3Å; A148-I179 HydrophobicContact CB-CG1 4.31Å
149E97.7Very high97.6Very high36 Ų3631.7 Ų31.717%0.16819%0.188CC..Hα-helixtrans-63-43.4174.6-69.2177.8160.100111.4Q145 F146 G153 K154 I156Q145-E149 HydrophobicContact CG-CG 4.19Å; Q145-E149 PolarHBondContact NE2-OE1 2.88Å; Q145-E149 VanDerWaalsContact O-CG 3.25Å; Q145-E149 WeakPolarHBondContact O-CG 3.2Å; Q145-E149 PolarHBondContact O-N 2.61Å; F146-E149 PolarHBondContact O-N 3.15Å; E149-G153 WeakPolarHBondContact O-CA 3.38Å; E149-G153 PolarHBondContact O-N 3.16Å; E149-K154 WeakPolarHBondContact CA-O 3.41Å; E149-K154 WeakPolarHBondContact CG-O 3.25Å; E149-K154 PolarHBondContact O-N 2.68Å; E149-I156 HydrophobicContact CG-CB 4.32Å; E149-I156 HydrophobicContact CG-CD1 4.24Å; E149-I156 HydrophobicContact CG-CG1 3.94Å; E149-I156 PolarHBondContact OE1-N 3.48Å
150L96.6Very high97.5Very high42 Ų4237.5 Ų37.522%0.2221%0.212CC..Hα-helixtrans-65.2-45.9-179.9-178.658.6000112L114 M120 Y127 F146 E147L114-L150 HydrophobicContact CB-CD2 4.17Å; L114-L150 HydrophobicContact CD1-CD2 3.91Å; M120-L150 HydrophobicContact CG-CD2 4.09Å; M120-L150 HydrophobicContact SD-CD2 3.98Å; Y127-L150 HydrophobicContact CD2-CD1 4.03Å; Y127-L150 HydrophobicContact CD2-CD2 4.04Å; Y127-L150 HydrophobicContact CD2-CG 3.63Å; Y127-L150 HydrophobicContact CE2-CD1 3.92Å; Y127-L150 HydrophobicContact CE2-CG 3.69Å; Y127-L150 WeakPolarHBondContact CE2-O 3.4Å; Y127-L150 HydrophobicContact CG-CD1 4.46Å; Y127-L150 HydrophobicContact CG-CG 4.41Å; Y127-L150 PolarHBondContact OH-O 2.87Å; F146-L150 HydrophobicContact CE1-CD2 4.18Å; F146-L150 HydrophobicContact CZ-CD2 4.35Å; F146-L150 VanDerWaalsContact O-CB 3.28Å; F146-L150 WeakPolarHBondContact O-CB 3.36Å; F146-L150 PolarHBondContact O-N 3.28Å; E147-L150 PolarHBondContact O-N 3.14Å
151L97.6Very high97.5Very high0 Ų038.6 Ų38.60%022%0.217CC..Hα-helixtrans-61.6-46.5178.9-72.4170000111.5P112 L114 K131 V135 E147 L169P112-L151 HydrophobicContact CB-CD1 4.2Å; P112-L151 HydrophobicContact CG-CD1 4.19Å; L114-L151 HydrophobicContact CD1-CD2 4.25Å; L114-L151 HydrophobicContact CD1-CG 4.39Å; K131-L151 HydrophobicContact CB-CD2 4.24Å; K131-L151 WeakPolarHBondContact CE-O 3.47Å; K131-L151 PolarHBondContact NZ-O 3.47Å; V135-L151 HydrophobicContact CG2-CD1 4.18Å; V135-L151 HydrophobicContact CG2-CD2 4.1Å; E147-L151 WeakPolarHBondContact O-CB 3.24Å; E147-L151 VanDerWaalsContact O-CG 3.23Å; E147-L151 WeakPolarHBondContact O-CG 3.42Å; E147-L151 PolarHBondContact O-N 2.95Å; L151-L169 HydrophobicContact CB-CD2 3.96Å; L151-L169 HydrophobicContact CD1-CD2 4.11Å
152T97.9Very high97.4Very high24 Ų2438.6 Ų38.615%0.14722%0.218CC..Hα-helixtrans-85.8-21-176.460.60000114.1A148 K154 V165 L168 L169A148-T152 WeakPolarHBondContact O-CG2 3.24Å; A148-T152 PolarHBondContact O-N 3.5Å; A148-T152 VanDerWaalsContact O-N 3.12Å; A148-T152 PolarHBondContact O-OG1 3.49Å; T152-K154 VanDerWaalsContact C-N 3.26Å; T152-K154 PolarHBondContact OG1-N 3.01Å; T152-V165 HydrophobicContact CG2-CG1 3.86Å; T152-L168 HydrophobicContact CG2-CB 3.82Å; T152-L168 HydrophobicContact CG2-CD1 4.46Å; T152-L169 HydrophobicContact CG2-CD1 4.45Å; T152-L169 HydrophobicContact CG2-CD2 3.74Å; T152-L169 HydrophobicContact CG2-CG 3.64Å
153G96.6Very high97.4Very high63 Ų6339.4 Ų39.465%0.64922%0.222SC*.THydrogen-bonded Turntrans70.919.3-171.300000113.6E149E149-G153 WeakPolarHBondContact O-CA 3.38Å; E149-G153 PolarHBondContact O-N 3.16Å
154K97.5Very high97.4Very high52 Ų5243.2 Ų43.223%0.22624%0.24CC..  trans-126.1126.2-176.5-178-175.4172.4980110.7E149 T152 E164 V165 L168E149-K154 WeakPolarHBondContact CA-O 3.41Å; E149-K154 WeakPolarHBondContact CG-O 3.25Å; E149-K154 PolarHBondContact O-N 2.68Å; T152-K154 VanDerWaalsContact C-N 3.26Å; T152-K154 PolarHBondContact OG1-N 3.01Å; K154-E164 HydrophobicContact CD-CG 4.29Å; K154-E164 WeakPolarHBondContact CE-OE1 3.39Å; K154-E164 VanDerWaalsContact CE-OE2 3.22Å; K154-E164 WeakPolarHBondContact CE-OE2 3.21Å; K154-E164 IonicContact NZ-OE1 3.85Å; K154-E164 PolarHBondContact NZ-OE1 2.87Å; K154-E164 IonicContact NZ-OE2 3.99Å; K154-E164 PolarHBondContact NZ-OE2 3.46Å; K154-V165 HydrophobicContact CB-CG2 4.03Å; K154-V165 HydrophobicContact CD-CG2 3.9Å; K154-V165 HydrophobicContact CG-CG2 4.06Å; K154-L168 HydrophobicContact CB-CD1 4.4Å; K154-L168 HydrophobicContact CD-CD1 3.98Å
155N97.1Very high97.5Very high125 Ų12542.6 Ų42.667%0.66824%0.237SC*.  trans-72.9148.2178.4-62.5-16.8000112.2
156I97.6Very high97.6Very high9 Ų941.4 Ų41.45%0.04623%0.232CC..  trans-109.5109.5177.4-61.5177000108.8Q145 A148 E149 A162 V165 I179 L184Q145-I156 HydrophobicContact CG-CB 4.25Å; Q145-I156 HydrophobicContact CG-CD1 4.28Å; Q145-I156 PolarHBondContact NE2-O 3.43Å; A148-I156 HydrophobicContact CB-CD1 4.43Å; E149-I156 HydrophobicContact CG-CB 4.32Å; E149-I156 HydrophobicContact CG-CD1 4.24Å; E149-I156 HydrophobicContact CG-CG1 3.94Å; E149-I156 PolarHBondContact OE1-N 3.48Å; I156-A162 HydrophobicContact CD1-CB 4.25Å; I156-A162 HydrophobicContact CG2-CB 3.76Å; I156-V165 HydrophobicContact CD1-CB 4.07Å; I156-V165 HydrophobicContact CD1-CG1 4.01Å; I156-V165 HydrophobicContact CD1-CG2 4.07Å; I156-V165 HydrophobicContact CG1-CB 4.24Å; I156-V165 HydrophobicContact CG1-CG2 3.72Å; I156-I179 HydrophobicContact CD1-CD1 3.84Å; I156-L184 HydrophobicContact CG2-CD1 4.27Å; I156-L184 HydrophobicContact CG2-CD2 3.93Å; I156-L184 HydrophobicContact CG2-CG 4.21Å
157S96.1Very high97.7Very high98 Ų9841.8 Ų41.869%0.68524%0.235SC*.SBendtrans-118.5-9.917569.50000113.2D161S157-D161 PolarHBondContact N-OD2 3.29Å; S157-D161 PolarHBondContact OG-OD2 3.22Å
158S96.7Very high97.7Very high43 Ų4345 Ų4530%0.30125%0.252SS..SBendtrans-146.3163.5-179.170.50000111.4K160 D161 A162 L184S158-K160 PolarHBondContact O-N 3.11Å; S158-K160 PolarHBondContact OG-N 3.16Å; S158-D161 PolarHBondContact N-OD2 3.21Å; S158-D161 PolarHBondContact O-N 2.98Å; S158-D161 VanDerWaalsContact O-N 3.13Å; S158-D161 PolarHBondContact OG-N 3.14Å; S158-D161 PolarHBondContact OG-OD1 3.12Å; S158-D161 PolarHBondContact OG-OD2 2.98Å; S158-A162 PolarHBondContact O-N 2.82Å; S158-A162 VanDerWaalsContact O-N 3.08Å; S158-L184 VanDerWaalsContact C-CD2 3.46Å; S158-L184 VanDerWaalsContact CA-CD2 3.5Å
159Q97.1Very high97.7Very high44 Ų4445 Ų4521%0.20625%0.252CS..Hα-helixtrans-57.4-35172.6-177.9-179.9-52.200111.7A162 V163 L196 I306Q159-A162 PolarHBondContact O-N 2.88Å; Q159-V163 WeakPolarHBondContact O-CG2 3.36Å; Q159-V163 PolarHBondContact O-N 2.86Å; Q159-L196 HydrophobicContact CG-CD2 4.01Å; Q159-I306 HydrophobicContact CG-CD1 4.2Å
160K97.4Very high97.8Very high163 Ų16343.8 Ų43.871%0.70925%0.247SC*.Hα-helixtrans-64-43.6177.4-175.3-175.4175.2-172.80111.2S158 A162 V163 E164S158-K160 PolarHBondContact O-N 3.11Å; S158-K160 PolarHBondContact OG-N 3.16Å; K160-A162 VanDerWaalsContact C-N 3.32Å; K160-A162 PolarHBondContact O-N 3.38Å; K160-V163 PolarHBondContact O-N 3.21Å; K160-E164 PolarHBondContact O-N 3.25Å
161D98.1Very high97.8Very high31 Ų3145.7 Ų45.717%0.16627%0.268CS..Hα-helixtrans-62.4-42.4177.1-56.3-32.9000110.9S157 S158 V163 E164 V165S157-D161 PolarHBondContact N-OD2 3.29Å; S157-D161 PolarHBondContact OG-OD2 3.22Å; S158-D161 PolarHBondContact N-OD2 3.21Å; S158-D161 PolarHBondContact O-N 2.98Å; S158-D161 VanDerWaalsContact O-N 3.13Å; S158-D161 PolarHBondContact OG-N 3.14Å; S158-D161 PolarHBondContact OG-OD1 3.12Å; S158-D161 PolarHBondContact OG-OD2 2.98Å; D161-V163 PolarHBondContact O-N 2.88Å; D161-E164 PolarHBondContact O-N 2.96Å; D161-V165 WeakPolarHBondContact O-CG2 3.23Å; D161-V165 PolarHBondContact O-N 2.93Å
162A98.3Very high97.9Very high1 Ų148 Ų481%0.00828%0.279CS..Hα-helixtrans-63.2-40177.800000112.6I156 S158 Q159 K160 E164 V165 M166 I179 L184 L196I156-A162 HydrophobicContact CD1-CB 4.25Å; I156-A162 HydrophobicContact CG2-CB 3.76Å; S158-A162 PolarHBondContact O-N 2.82Å; S158-A162 VanDerWaalsContact O-N 3.08Å; Q159-A162 PolarHBondContact O-N 2.88Å; K160-A162 VanDerWaalsContact C-N 3.32Å; K160-A162 PolarHBondContact O-N 3.38Å; A162-E164 VanDerWaalsContact C-N 3.34Å; A162-V165 PolarHBondContact O-N 2.98Å; A162-M166 WeakPolarHBondContact O-CG 3.34Å; A162-M166 PolarHBondContact O-N 3.34Å; A162-I179 HydrophobicContact CB-CD1 4.26Å; A162-L184 HydrophobicContact CB-CD1 4.22Å; A162-L196 HydrophobicContact CB-CD1 3.55Å
163V98.4Very high97.9Very high17 Ų1748.3 Ų48.310%0.10329%0.288CS..Hα-helixtrans-61.2-43.7173.1169.20000111Q159 K160 D161 M166 D167 I306Q159-V163 WeakPolarHBondContact O-CG2 3.36Å; Q159-V163 PolarHBondContact O-N 2.86Å; K160-V163 PolarHBondContact O-N 3.21Å; D161-V163 PolarHBondContact O-N 2.88Å; V163-M166 HydrophobicContact CG2-CE 4.17Å; V163-M166 PolarHBondContact O-N 3.41Å; V163-D167 PolarHBondContact O-N 2.76Å; V163-I306 HydrophobicContact CG2-CD1 4.17Å
164E98.4Very high98Very high81 Ų8145.3 Ų45.338%0.37926%0.257SS..Hα-helixtrans-65.5-39.5177-168.9-177.8152.100112.1K154 K160 D161 A162 D167 L168K154-E164 HydrophobicContact CD-CG 4.29Å; K154-E164 WeakPolarHBondContact CE-OE1 3.39Å; K154-E164 VanDerWaalsContact CE-OE2 3.22Å; K154-E164 WeakPolarHBondContact CE-OE2 3.21Å; K154-E164 IonicContact NZ-OE1 3.85Å; K154-E164 PolarHBondContact NZ-OE1 2.87Å; K154-E164 IonicContact NZ-OE2 3.99Å; K154-E164 PolarHBondContact NZ-OE2 3.46Å; K160-E164 PolarHBondContact O-N 3.25Å; D161-E164 PolarHBondContact O-N 2.96Å; A162-E164 VanDerWaalsContact C-N 3.34Å; E164-D167 WeakPolarHBondContact O-CB 3.06Å; E164-D167 PolarHBondContact O-N 2.68Å; E164-L168 WeakPolarHBondContact O-CG 3.19Å; E164-L168 PolarHBondContact O-N 2.91Å
165V98.7Very high98Very high0 Ų046.7 Ų46.70%027%0.267CS..Hα-helixtrans-62.3-44.7173.9166.50000111.2A148 T152 K154 I156 D161 A162 D167 L168 L169A148-V165 HydrophobicContact CB-CG1 3.82Å; T152-V165 HydrophobicContact CG2-CG1 3.86Å; K154-V165 HydrophobicContact CB-CG2 4.03Å; K154-V165 HydrophobicContact CD-CG2 3.9Å; K154-V165 HydrophobicContact CG-CG2 4.06Å; I156-V165 HydrophobicContact CD1-CB 4.07Å; I156-V165 HydrophobicContact CD1-CG1 4.01Å; I156-V165 HydrophobicContact CD1-CG2 4.07Å; I156-V165 HydrophobicContact CG1-CB 4.24Å; I156-V165 HydrophobicContact CG1-CG2 3.72Å; D161-V165 WeakPolarHBondContact O-CG2 3.23Å; D161-V165 PolarHBondContact O-N 2.93Å; A162-V165 PolarHBondContact O-N 2.98Å; V165-D167 VanDerWaalsContact C-N 3.28Å; V165-D167 PolarHBondContact O-N 3.05Å; V165-L168 PolarHBondContact O-N 3.23Å; V165-L169 HydrophobicContact CG1-CD1 4.03Å; V165-L169 HydrophobicContact CG1-CG 4.49Å; V165-L169 WeakPolarHBondContact O-CG 3.4Å; V165-L169 PolarHBondContact O-N 3.37Å
166M98.8Very high98.1Very high0 Ų041.1 Ų41.10%024%0.237CC..Hα-helixtrans-61.5-37.7174-69.4-172.7-65.700111.5A162 V163 L169 H170 V177 I179 L196 S198A162-M166 WeakPolarHBondContact O-CG 3.34Å; A162-M166 PolarHBondContact O-N 3.34Å; V163-M166 HydrophobicContact CG2-CE 4.17Å; V163-M166 PolarHBondContact O-N 3.41Å; M166-L169 PolarHBondContact O-N 3.48Å; M166-H170 PolarHBondContact O-CD2 2.92Å; M166-H170 VanDerWaalsContact O-CG 3.27Å; M166-H170 PolarHBondContact O-N 3.19Å; M166-V177 HydrophobicContact CB-CG1 4.34Å; M166-V177 HydrophobicContact CG-CB 4.37Å; M166-V177 HydrophobicContact CG-CG1 3.85Å; M166-I179 HydrophobicContact CG-CD1 3.85Å; M166-I179 HydrophobicContact CG-CG1 4.15Å; M166-I179 HydrophobicContact SD-CD1 4.43Å; M166-I179 HydrophobicContact SD-CG1 4.47Å; M166-L196 HydrophobicContact CE-CB 4.01Å; M166-L196 HydrophobicContact SD-CB 4.21Å; M166-S198 VanDerWaalsContact SD-CB 3.54Å
167D98.5Very high98.1Very high45 Ų4540.7 Ų40.724%0.24124%0.235CC..Hα-helixtrans-66.2-36.5176-78.2-26.3000113.5V163 E164 V165 H170 A171 R200 R212V163-D167 PolarHBondContact O-N 2.76Å; E164-D167 WeakPolarHBondContact O-CB 3.06Å; E164-D167 PolarHBondContact O-N 2.68Å; V165-D167 VanDerWaalsContact C-N 3.28Å; V165-D167 PolarHBondContact O-N 3.05Å; D167-H170 IonicContact OD1-CD2 2.77Å; D167-A171 PolarHBondContact O-N 3.48Å; D167-A171 VanDerWaalsContact O-N 3.12Å; D167-R200 PolarHBondContact O-NH2 3.36Å; D167-R200 IonicContact OD1-CZ 2.7Å; D167-R200 IonicContact OD1-NE 3.94Å; D167-R200 IonicContact OD1-NH2 3Å; D167-R200 PolarHBondContact OD1-NH2 2.82Å; D167-R212 IonicContact OD1-CZ 2.74Å; D167-R212 IonicContact OD1-NH2 3.09Å; D167-R212 PolarHBondContact OD1-NH2 3.45Å; D167-R212 IonicContact OD2-CZ 2.74Å; D167-R212 IonicContact OD2-NH2 3.93Å; D167-R212 PolarHBondContact OD2-NH2 2.9Å
168L98.6Very high98.3Very high72 Ų7236 Ų3638%0.37720%0.202SC..Hα-helixtrans-66.3-43.8171.7-70.9171.8000111.2T152 K154 E164 V165 H170 A171 M172T152-L168 HydrophobicContact CG2-CB 3.82Å; T152-L168 HydrophobicContact CG2-CD1 4.46Å; K154-L168 HydrophobicContact CB-CD1 4.4Å; K154-L168 HydrophobicContact CD-CD1 3.98Å; E164-L168 WeakPolarHBondContact O-CG 3.19Å; E164-L168 PolarHBondContact O-N 2.91Å; V165-L168 PolarHBondContact O-N 3.23Å; L168-H170 VanDerWaalsContact C-N 3.35Å; L168-H170 PolarHBondContact O-N 3Å; L168-A171 WeakPolarHBondContact O-CB 3.11Å; L168-A171 PolarHBondContact O-N 3.08Å; L168-A171 VanDerWaalsContact O-N 3.09Å; L168-M172 WeakPolarHBondContact O-CG 3.23Å; L168-M172 PolarHBondContact O-N 2.75Å; L168-M172 VanDerWaalsContact O-N 3.17Å
169L98.7Very high98.3Very high0 Ų034 Ų340%019%0.188CC..Hα-helixtrans-61.5-43175.9-72168.2000111.4I141 P143 A148 L151 T152 V165 M166 A171 M172 G173 P174 V177I141-L169 HydrophobicContact CD1-CB 4.13Å; I141-L169 HydrophobicContact CD1-CD1 4.04Å; I141-L169 HydrophobicContact CD1-CD2 3.86Å; I141-L169 HydrophobicContact CD1-CG 4.22Å; P143-L169 HydrophobicContact CG-CD1 4.34Å; A148-L169 HydrophobicContact CB-CD1 4.18Å; L151-L169 HydrophobicContact CB-CD2 3.96Å; L151-L169 HydrophobicContact CD1-CD2 4.11Å; T152-L169 HydrophobicContact CG2-CD1 4.45Å; T152-L169 HydrophobicContact CG2-CD2 3.74Å; T152-L169 HydrophobicContact CG2-CG 3.64Å; V165-L169 HydrophobicContact CG1-CD1 4.03Å; V165-L169 HydrophobicContact CG1-CG 4.49Å; V165-L169 WeakPolarHBondContact O-CG 3.4Å; V165-L169 PolarHBondContact O-N 3.37Å; M166-L169 PolarHBondContact O-N 3.48Å; L169-A171 VanDerWaalsContact C-N 3.26Å; L169-A171 PolarHBondContact O-N 3.03Å; L169-M172 HydrophobicContact CD2-SD 4.01Å; L169-M172 WeakPolarHBondContact O-CA 3.39Å; L169-M172 VanDerWaalsContact O-CB 3.31Å; L169-M172 WeakPolarHBondContact O-CB 3.27Å; L169-M172 PolarHBondContact O-N 2.89Å; L169-G173 PolarHBondContact O-N 3.03Å; L169-P174 WeakPolarHBondContact O-CD 3.49Å; L169-V177 HydrophobicContact CB-CG1 4.32Å; L169-V177 HydrophobicContact CB-CG2 3.89Å; L169-V177 HydrophobicContact CD1-CG1 3.65Å
170H98.6Very high98.4Very high10 Ų1033.4 Ų33.45%0.04619%0.188CC..Hα-helixtrans-60.1-36.1173-70.9-55.1000112.9M166 D167 L168 M172 G173 P174 D175 S198 R200M166-H170 PolarHBondContact O-CD2 2.92Å; M166-H170 VanDerWaalsContact O-CG 3.27Å; M166-H170 PolarHBondContact O-N 3.19Å; D167-H170 IonicContact OD1-CD2 2.77Å; L168-H170 VanDerWaalsContact C-N 3.35Å; L168-H170 PolarHBondContact O-N 3Å; H170-M172 PolarHBondContact O-N 2.97Å; H170-G173 PolarHBondContact O-N 2.73Å; H170-P174 WeakPolarHBondContact CA-O 3.47Å; H170-P174 PolarHBondContact ND1-O 2.87Å; H170-D175 PolarHBondContact CE1-O 3.19Å; H170-D175 PolarHBondContact ND1-O 3.42Å; H170-S198 PolarHBondContact CE1-O 3.31Å; H170-S198 VanDerWaalsContact CE1-O 3.31Å; H170-S198 VanDerWaalsContact NE2-CB 3.31Å; H170-S198 WeakPolarHBondContact NE2-CB 3.13Å; H170-S198 PolarHBondContact NE2-OG 3.47Å; H170-R200 VanDerWaalsContact CB-NH1 3.27Å; H170-R200 PolarHBondContact CD2-NE 2.9Å; H170-R200 VanDerWaalsContact CD2-NE 3.31Å
171A98.1Very high98.2Very high82 Ų8227.4 Ų27.468%0.67817%0.166SC*.Hα-helixtrans-69.3-18.1175.800000112.9D167 L168 L169D167-A171 PolarHBondContact O-N 3.48Å; D167-A171 VanDerWaalsContact O-N 3.12Å; L168-A171 WeakPolarHBondContact O-CB 3.11Å; L168-A171 PolarHBondContact O-N 3.08Å; L168-A171 VanDerWaalsContact O-N 3.09Å; L169-A171 VanDerWaalsContact C-N 3.26Å; L169-A171 PolarHBondContact O-N 3.03Å
172M98.4Very high98Very high47 Ų4726.2 Ų26.223%0.23216%0.161CC..Hα-helixtrans-80.7-25.9175-63.7170.163.800112.6K131 V135 P136 L168 L169 H170K131-M172 HydrophobicContact CG-CE 3.85Å; V135-M172 HydrophobicContact CB-CE 4.1Å; V135-M172 HydrophobicContact CG1-CB 3.71Å; V135-M172 HydrophobicContact CG1-CE 3.86Å; V135-M172 HydrophobicContact CG1-SD 4.44Å; P136-M172 VanDerWaalsContact CA-O 3.25Å; P136-M172 WeakPolarHBondContact CA-O 3.11Å; L168-M172 WeakPolarHBondContact O-CG 3.23Å; L168-M172 PolarHBondContact O-N 2.75Å; L168-M172 VanDerWaalsContact O-N 3.17Å; L169-M172 HydrophobicContact CD2-SD 4.01Å; L169-M172 WeakPolarHBondContact O-CA 3.39Å; L169-M172 VanDerWaalsContact O-CB 3.31Å; L169-M172 WeakPolarHBondContact O-CB 3.27Å; L169-M172 PolarHBondContact O-N 2.89Å; H170-M172 PolarHBondContact O-N 2.97Å
173G97.8Very high97.7Very high32 Ų3232.3 Ų32.333%0.3319%0.193SC..SBendtrans164.1-64-176.600000115.1L169 H170L169-G173 PolarHBondContact O-N 3.03Å; H170-G173 PolarHBondContact O-N 2.73Å
174P98.4Very high97.5Very high0 Ų031.8 Ų31.80%019%0.19CC..  trans-67.6136.1-165.824.2-36.3000113.7V135 A138 I141 L169 H170 V177V135-P174 HydrophobicContact CG1-CG 4.19Å; V135-P174 WeakPolarHBondContact O-CD 3.3Å; A138-P174 WeakPolarHBondContact O-CA 3.01Å; I141-P174 HydrophobicContact CD1-CG 3.8Å; I141-P174 HydrophobicContact CG1-CB 4.17Å; I141-P174 HydrophobicContact CG1-CG 3.81Å; I141-P174 HydrophobicContact CG2-CB 4.26Å; I141-P174 HydrophobicContact CG2-CG 4.18Å; L169-P174 WeakPolarHBondContact O-CD 3.49Å; H170-P174 WeakPolarHBondContact CA-O 3.47Å; H170-P174 PolarHBondContact ND1-O 2.87Å; P174-V177 HydrophobicContact CB-CG2 4.41Å; P174-V177 HydrophobicContact CG-CG2 4.05Å
175D98Very high97.1Very high80 Ų8032.6 Ų32.643%0.42820%0.202SC..SBendtrans-81.2-21.1173.7-79.5-39.4000112.4D139 H170 Q199 R200D139-D175 PolarHBondContact O-N 2.92Å; H170-D175 PolarHBondContact CE1-O 3.19Å; H170-D175 PolarHBondContact ND1-O 3.42Å; D175-Q199 CarbonylContact O-C 3.55Å; D175-Q199 WeakPolarHBondContact O-CA 3.36Å; D175-R200 PolarHBondContact O-N 3.39Å
176T98.9Very high96.8Very high8 Ų833.7 Ų33.75%0.04921%0.209CC..EExtended strand (participates in β ladder)trans-121.7127.3174.4-52.20000111.1D139 I140 I141 V178 S198 Q199 L246D139-T176 PolarHBondContact O-N 2.91Å; I140-T176 VanDerWaalsContact CA-O 3.3Å; I140-T176 WeakPolarHBondContact CA-O 3.26Å; I140-T176 HydrophobicContact CG2-CG2 4.05Å; I141-T176 PolarHBondContact N-O 3.32Å; T176-V178 HydrophobicContact CG2-CG2 4.49Å; T176-S198 WeakPolarHBondContact CA-O 3.44Å; T176-Q199 HydrophobicContact CG2-CB 4.37Å; T176-Q199 WeakPolarHBondContact OG1-CG 3.44Å; T176-Q199 PolarHBondContact OG1-NE2 3.13Å; T176-L246 HydrophobicContact CG2-CD1 3.83Å
177V98.9Very high96.4Very high0 Ų041.4 Ų41.40%024%0.238CC..EExtended strand (participates in β ladder)trans-129.3127.9177.8179.40000108.3I141 M166 L169 P174 G197 S198I141-V177 HydrophobicContact CD1-CG1 4.23Å; I141-V177 HydrophobicContact CD1-CG2 4.11Å; I141-V177 HydrophobicContact CG1-CB 4.29Å; I141-V177 HydrophobicContact CG1-CG1 4.11Å; I141-V177 HydrophobicContact CG1-CG2 3.88Å; M166-V177 HydrophobicContact CB-CG1 4.34Å; M166-V177 HydrophobicContact CG-CB 4.37Å; M166-V177 HydrophobicContact CG-CG1 3.85Å; L169-V177 HydrophobicContact CB-CG1 4.32Å; L169-V177 HydrophobicContact CB-CG2 3.89Å; L169-V177 HydrophobicContact CD1-CG1 3.65Å; P174-V177 HydrophobicContact CB-CG2 4.41Å; P174-V177 HydrophobicContact CG-CG2 4.05Å; V177-G197 CarbonylContact O-C 3.55Å; V177-G197 WeakPolarHBondContact O-CA 3.44Å; V177-S198 PolarHBondContact N-O 2.97Å; V177-S198 PolarHBondContact O-N 3.45Å
178V98.8Very high95.8Very high0 Ų044.7 Ų44.70%026%0.255CS..EExtended strand (participates in β ladder)trans-126.1112172.1-175.40000109.8I141 T142 P143 T176 T180 L196 F231 L235 L246I141-V178 PolarHBondContact O-N 2.74Å; T142-V178 CarbonylContact C-O 3.56Å; T142-V178 WeakPolarHBondContact CA-O 3.45Å; P143-V178 WeakPolarHBondContact CD-O 3.37Å; T176-V178 HydrophobicContact CG2-CG2 4.49Å; V178-T180 PolarHBondContact O-N 3.46Å; V178-L196 CarbonylContact C-O 3.5Å; V178-L196 WeakPolarHBondContact CA-O 3.28Å; V178-F231 HydrophobicContact CB-CE1 4.41Å; V178-F231 HydrophobicContact CG1-CE1 4.03Å; V178-F231 HydrophobicContact CG1-CZ 3.79Å; V178-L235 HydrophobicContact CB-CD2 4.19Å; V178-L235 HydrophobicContact CG2-CD1 4.38Å; V178-L235 HydrophobicContact CG2-CD2 3.69Å; V178-L246 HydrophobicContact CG2-CD1 4.32Å
179I98.6Very high95.4Very high1 Ų142.6 Ų42.61%0.00525%0.251CS..EExtended strand (participates in β ladder)trans-75.4102.3168.1-59.3176.8000107.1P143 Q145 A148 I156 A162 M166 S181 S195 L196P143-I179 CarbonylContact O-C 3.56Å; P143-I179 VanDerWaalsContact O-CA 3.24Å; P143-I179 WeakPolarHBondContact O-CA 3.35Å; Q145-I179 HydrophobicContact CB-CG2 4.49Å; A148-I179 HydrophobicContact CB-CD1 4.3Å; A148-I179 HydrophobicContact CB-CG1 4.31Å; I156-I179 HydrophobicContact CD1-CD1 3.84Å; A162-I179 HydrophobicContact CB-CD1 4.26Å; M166-I179 HydrophobicContact CG-CD1 3.85Å; M166-I179 HydrophobicContact CG-CG1 4.15Å; M166-I179 HydrophobicContact SD-CD1 4.43Å; M166-I179 HydrophobicContact SD-CG1 4.47Å; I179-S181 VanDerWaalsContact C-N 3.34Å; I179-S181 WeakPolarHBondContact CG2-O 3.39Å; I179-S181 PolarHBondContact O-N 2.88Å; I179-S195 WeakPolarHBondContact O-CA 3.41Å; I179-S195 WeakPolarHBondContact O-CB 3.27Å; I179-S195 PolarHBondContact O-OG 3.3Å; I179-L196 PolarHBondContact N-O 3.02Å; I179-L196 PolarHBondContact O-N 3.37Å; I179-L196 VanDerWaalsContact O-N 3.13Å
180T97.3Very high94.9Very high32 Ų3249.2 Ų49.220%0.19629%0.286CS..EExtended strand (participates in β ladder)trans-67.4-33.8-167.656.10000113.1T142 P143 V178 S195 F231T142-T180 VanDerWaalsContact O-CG2 3.26Å; T142-T180 WeakPolarHBondContact O-CG2 3.42Å; P143-T180 PolarHBondContact O-N 2.68Å; P143-T180 PolarHBondContact O-OG1 3.39Å; V178-T180 PolarHBondContact O-N 3.46Å; T180-S195 WeakPolarHBondContact O-CB 3.44Å; T180-F231 HydrophobicContact CG2-CD1 3.66Å; T180-F231 HydrophobicContact CG2-CE1 3.57Å; T180-F231 HydrophobicContact CG2-CG 4.36Å; T180-F231 HydrophobicContact CG2-CZ 4.21Å
181S94.4Very high94.5Very high36 Ų3658.4 Ų58.425%0.25232%0.321SS..EExtended strand (participates in β ladder)trans-150.9151.3175.361.30000111Q145 I179 V194Q145-S181 WeakPolarHBondContact CB-O 3.45Å; Q145-S181 PolarHBondContact N-O 3.45Å; I179-S181 VanDerWaalsContact C-N 3.34Å; I179-S181 WeakPolarHBondContact CG2-O 3.39Å; I179-S181 PolarHBondContact O-N 2.88Å; S181-V194 CarbonylContact C-O 3.53Å
182S94.6Very high94.3Very high7 Ų756.6 Ų56.65%0.04930%0.298CS..EExtended strand (participates in β ladder)trans-150.9158.517766.10000111.1Q145 L184 V194Q145-S182 VanDerWaalsContact OE1-CA 3.25Å; S182-L184 PolarHBondContact O-N 3.16Å; S182-V194 PolarHBondContact N-O 2.84Å; S182-V194 WeakPolarHBondContact OG-CB 3.36Å; S182-V194 PolarHBondContact OG-O 3.47Å
183D91.3Very high94Very high129 Ų12957.2 Ų57.269%0.6930%0.301SS*.  trans-88.614.7174.2-71.8-37.5000112.3
184L93.8Very high93.9Very high6 Ų655.7 Ų55.73%0.03129%0.286CS..SBendtrans-61.6143.8174.4-68.5178.9000110.8I156 S158 A162 S182 P186 V194 L196I156-L184 HydrophobicContact CG2-CD1 4.27Å; I156-L184 HydrophobicContact CG2-CD2 3.93Å; I156-L184 HydrophobicContact CG2-CG 4.21Å; S158-L184 VanDerWaalsContact C-CD2 3.46Å; S158-L184 VanDerWaalsContact CA-CD2 3.5Å; A162-L184 HydrophobicContact CB-CD1 4.22Å; S182-L184 PolarHBondContact O-N 3.16Å; L184-P186 VanDerWaalsContact O-CD 3.27Å; L184-P186 WeakPolarHBondContact O-CD 3.4Å; L184-V194 HydrophobicContact CB-CB 4.12Å; L184-V194 HydrophobicContact CB-CG1 4.29Å; L184-V194 HydrophobicContact CB-CG2 4.26Å; L184-V194 HydrophobicContact CD1-CG1 4.36Å; L184-V194 WeakPolarHBondContact O-CG2 3.34Å; L184-L196 HydrophobicContact CD1-CD1 3.52Å
185P90.9Very high93.9Very high98 Ų9855.7 Ų55.764%0.63629%0.286SS*.PPolyproline II helixtrans-62.8121.1179.323.7-32.1000110.6R214P185-R214 PolarHBondContact O-NH2 2.6Å
186P90.6Very high94Very high22 Ų2251.9 Ų51.914%0.14327%0.266CS..PPolyproline II helixtrans-73.2147.9175.230.4-35.5000111.1L184 G189 F192 V194 E216L184-P186 VanDerWaalsContact O-CD 3.27Å; L184-P186 WeakPolarHBondContact O-CD 3.4Å; P186-G189 VanDerWaalsContact CG-C 3.47Å; P186-G189 WeakPolarHBondContact CG-O 3.26Å; P186-F192 HydrophobicContact CB-CB 3.79Å; P186-F192 HydrophobicContact CG-CB 4.31Å; P186-V194 HydrophobicContact CB-CG2 3.99Å; P186-E216 WeakPolarHBondContact CB-OE2 3.2Å
187R90.7Very high93.9Very high162 Ų16251.5 Ų51.561%0.61126%0.263SS*.SBendtrans-78.1-28.7174.3-62.3175.5-174.4172.93.8111.5G189 E216R187-G189 VanDerWaalsContact C-N 3.3Å; R187-E216 WeakPolarHBondContact CB-OE1 2.94Å; R187-E216 WeakPolarHBondContact CG-OE1 3.5Å; R187-E216 PolarHBondContact N-OE1 3.24Å; R187-E216 PolarHBondContact N-OE2 3.09Å
188L87.1Confident93.9Very high114 Ų11451.5 Ų51.560%0.59726%0.263SS*.SBendtrans-85.71.4-179.3-59.4179.2000113.6F192 E216L188-F192 HydrophobicContact CB-CD1 4.19Å; L188-F192 HydrophobicContact CB-CD2 3.65Å; L188-F192 HydrophobicContact CB-CE1 4.22Å; L188-F192 HydrophobicContact CB-CE2 3.69Å; L188-F192 HydrophobicContact CB-CG 3.92Å; L188-F192 HydrophobicContact CB-CZ 3.99Å; L188-F192 HydrophobicContact CD1-CD1 4.09Å; L188-F192 HydrophobicContact CD1-CE1 3.87Å; L188-F192 HydrophobicContact CD1-CZ 4.23Å; L188-F192 WeakPolarHBondContact O-CE2 3.31Å; L188-E216 WeakPolarHBondContact CB-OE2 3.2Å; L188-E216 HydrophobicContact CD1-CB 3.93Å; L188-E216 HydrophobicContact CG-CB 4.45Å; L188-E216 WeakPolarHBondContact CG-OE2 3.36Å; L188-E216 PolarHBondContact N-OE2 2.75Å
189G89.6Confident93.9Very high29 Ų2951.9 Ų51.930%0.29927%0.265SS..  trans102.9166.117600000114.3P186 R187 R191 F192P186-G189 VanDerWaalsContact CG-C 3.47Å; P186-G189 WeakPolarHBondContact CG-O 3.26Å; R187-G189 VanDerWaalsContact C-N 3.3Å; G189-R191 PolarHBondContact O-N 3.14Å; G189-F192 WeakPolarHBondContact O-CD2 3.24Å; G189-F192 PolarHBondContact O-N 3.08Å
190D88.8Confident93.8Very high139 Ų13954.7 Ų54.774%0.74328%0.276SS*.THydrogen-bonded Turntrans-60.4-14.3-164.7-59.1-22.1000115.9F192 K219D190-F192 PolarHBondContact O-N 2.78Å; D190-K219 WeakPolarHBondContact O-CD 3.48Å; D190-K219 PolarHBondContact O-NZ 3.41Å
191R89.8Confident93.5Very high202 Ų20255 Ų5576%0.76228%0.275SS*.THydrogen-bonded Turntrans-78.36.8174.3-61.3-167.4-62-175.60.2113.6G189 K219G189-R191 PolarHBondContact O-N 3.14Å; R191-K219 WeakPolarHBondContact O-CB 3.43Å; R191-K219 PolarHBondContact O-N 2.88Å
192F92.8Very high93.1Very high45 Ų4557.6 Ų57.620%0.19729%0.289CS..EExtended strand (participates in β ladder)trans-117147.1178-68.1-101.5000111.2P186 L188 G189 D190 E216 V217 P218 K219P186-F192 HydrophobicContact CB-CB 3.79Å; P186-F192 HydrophobicContact CG-CB 4.31Å; L188-F192 HydrophobicContact CB-CD1 4.19Å; L188-F192 HydrophobicContact CB-CD2 3.65Å; L188-F192 HydrophobicContact CB-CE1 4.22Å; L188-F192 HydrophobicContact CB-CE2 3.69Å; L188-F192 HydrophobicContact CB-CG 3.92Å; L188-F192 HydrophobicContact CB-CZ 3.99Å; L188-F192 HydrophobicContact CD1-CD1 4.09Å; L188-F192 HydrophobicContact CD1-CE1 3.87Å; L188-F192 HydrophobicContact CD1-CZ 4.23Å; L188-F192 WeakPolarHBondContact O-CE2 3.31Å; G189-F192 WeakPolarHBondContact O-CD2 3.24Å; G189-F192 PolarHBondContact O-N 3.08Å; D190-F192 PolarHBondContact O-N 2.78Å; F192-E216 HydrophobicContact CB-CB 4.37Å; F192-E216 HydrophobicContact CD1-CB 4.27Å; F192-V217 CarbonylContact C-O 3.41Å; F192-V217 VanDerWaalsContact CA-O 3.25Å; F192-V217 WeakPolarHBondContact CA-O 2.98Å; F192-P218 HydrophobicContact CD1-CG 4.16Å; F192-P218 HydrophobicContact CE1-CB 4.35Å; F192-P218 HydrophobicContact CE1-CG 3.7Å; F192-P218 HydrophobicContact CZ-CG 4.42Å; F192-K219 WeakPolarHBondContact O-CE 3.06Å; F192-K219 PolarHBondContact O-NZ 3.48Å
193L92.9Very high92.7Very high59 Ų5963.6 Ų63.631%0.30931%0.31SS..EExtended strand (participates in β ladder)trans-94.8148165.6-68.1165.5000108.8E216 V217 K219L193-E216 CarbonylContact O-C 3.57Å; L193-E216 VanDerWaalsContact O-CA 3.3Å; L193-E216 WeakPolarHBondContact O-CA 3.13Å; L193-V217 PolarHBondContact N-O 2.9Å; L193-V217 PolarHBondContact O-N 3.14Å; L193-K219 HydrophobicContact CD1-CG 4.17Å; L193-K219 HydrophobicContact CD2-CD 4.27Å; L193-K219 HydrophobicContact CD2-CG 4.05Å; L193-K219 HydrophobicContact CG-CD 4.3Å; L193-K219 HydrophobicContact CG-CG 3.58Å
194V96.7Very high92.4Very high0 Ų064.4 Ų64.40%032%0.323CS..EExtended strand (participates in β ladder)trans-102.4127.4174179.70000108.8S181 S182 L184 P186 L196 R214 E216S181-V194 CarbonylContact C-O 3.53Å; S182-V194 PolarHBondContact N-O 2.84Å; S182-V194 WeakPolarHBondContact OG-CB 3.36Å; S182-V194 PolarHBondContact OG-O 3.47Å; L184-V194 HydrophobicContact CB-CB 4.12Å; L184-V194 HydrophobicContact CB-CG1 4.29Å; L184-V194 HydrophobicContact CB-CG2 4.26Å; L184-V194 HydrophobicContact CD1-CG1 4.36Å; L184-V194 WeakPolarHBondContact O-CG2 3.34Å; P186-V194 HydrophobicContact CB-CG2 3.99Å; V194-L196 HydrophobicContact CG1-CD1 4.23Å; V194-L196 HydrophobicContact CG1-CG 4.4Å; V194-R214 HydrophobicContact CG1-CG 4.2Å; V194-E216 HydrophobicContact CG2-CG 4.28Å
195S98.1Very high92.2Very high1 Ų169.9 Ų69.91%0.00735%0.352CS..EExtended strand (participates in β ladder)trans-115148.2166.9175.10000110I179 T180 R214 I215 F254I179-S195 WeakPolarHBondContact O-CA 3.41Å; I179-S195 WeakPolarHBondContact O-CB 3.27Å; I179-S195 PolarHBondContact O-OG 3.3Å; T180-S195 WeakPolarHBondContact O-CB 3.44Å; S195-R214 WeakPolarHBondContact O-CA 3.16Å; S195-I215 PolarHBondContact N-O 3.28Å; S195-I215 PolarHBondContact O-N 3.29Å; S195-F254 WeakPolarHBondContact OG-CZ 3.29Å
196L98.6Very high92Very high0 Ų067.7 Ų67.70%035%0.347CS..EExtended strand (participates in β ladder)trans-131.7134.7179.5-73.1140000109.7Q159 A162 M166 V178 I179 L184 V194 V213 R214 I306Q159-L196 HydrophobicContact CG-CD2 4.01Å; A162-L196 HydrophobicContact CB-CD1 3.55Å; M166-L196 HydrophobicContact CE-CB 4.01Å; M166-L196 HydrophobicContact SD-CB 4.21Å; V178-L196 CarbonylContact C-O 3.5Å; V178-L196 WeakPolarHBondContact CA-O 3.28Å; I179-L196 PolarHBondContact N-O 3.02Å; I179-L196 PolarHBondContact O-N 3.37Å; I179-L196 VanDerWaalsContact O-N 3.13Å; L184-L196 HydrophobicContact CD1-CD1 3.52Å; V194-L196 HydrophobicContact CG1-CD1 4.23Å; V194-L196 HydrophobicContact CG1-CG 4.4Å; L196-V213 CarbonylContact C-O 3.56Å; L196-V213 WeakPolarHBondContact CA-O 3.26Å; L196-R214 HydrophobicContact CD2-CB 4.01Å; L196-R214 HydrophobicContact CD2-CG 4.4Å; L196-I306 HydrophobicContact CD2-CD1 3.4Å; L196-I306 VanDerWaalsContact CD2-CD1 3.4Å
197G98.6Very high92Very high0 Ų068.8 Ų68.80%036%0.356CS..EExtended strand (participates in β ladder)trans-123145.8175.200000111.2V177 R212 V213V177-G197 CarbonylContact O-C 3.55Å; V177-G197 WeakPolarHBondContact O-CA 3.44Å; G197-R212 CarbonylContact O-C 3.51Å; G197-R212 VanDerWaalsContact O-CA 3.26Å; G197-R212 WeakPolarHBondContact O-CA 3.42Å; G197-V213 PolarHBondContact N-O 3.05Å; G197-V213 PolarHBondContact O-N 3.26Å
198S98.8Very high91.9Very high0 Ų070.3 Ų70.30%036%0.361CS..EExtended strand (participates in β ladder)trans-140.2130174.2-178.70000109.3M166 H170 T176 V177 Q211M166-S198 VanDerWaalsContact SD-CB 3.54Å; H170-S198 PolarHBondContact CE1-O 3.31Å; H170-S198 VanDerWaalsContact CE1-O 3.31Å; H170-S198 VanDerWaalsContact NE2-CB 3.31Å; H170-S198 WeakPolarHBondContact NE2-CB 3.13Å; H170-S198 PolarHBondContact NE2-OG 3.47Å; T176-S198 WeakPolarHBondContact CA-O 3.44Å; V177-S198 PolarHBondContact N-O 2.97Å; V177-S198 PolarHBondContact O-N 3.45Å; S198-Q211 WeakPolarHBondContact CA-O 3.46Å
199Q98.6Very high92.2Very high8 Ų867 Ų674%0.03735%0.346CS..EExtended strand (participates in β ladder)trans-129.9127.2176.5-178.5177.458.900109.7D175 T176 H201 T210 Q211 P243 L246D175-Q199 CarbonylContact O-C 3.55Å; D175-Q199 WeakPolarHBondContact O-CA 3.36Å; T176-Q199 HydrophobicContact CG2-CB 4.37Å; T176-Q199 WeakPolarHBondContact OG1-CG 3.44Å; T176-Q199 PolarHBondContact OG1-NE2 3.13Å; Q199-H201 VanDerWaalsContact CG-NE2 3.33Å; Q199-H201 WeakPolarHBondContact CG-NE2 3.41Å; Q199-H201 PolarHBondContact OE1-NE2 3.06Å; Q199-T210 CarbonylContact O-C 3.57Å; Q199-T210 VanDerWaalsContact O-CA 3.3Å; Q199-T210 WeakPolarHBondContact O-CA 3.39Å; Q199-Q211 PolarHBondContact N-O 3.32Å; Q199-Q211 PolarHBondContact O-N 2.86Å; Q199-P243 PolarHBondContact NE2-O 3.47Å; Q199-P243 VanDerWaalsContact NE2-O 3.11Å; Q199-P243 PolarHBondContact OE1-O 2.94Å; Q199-L246 HydrophobicContact CB-CB 3.99Å; Q199-L246 HydrophobicContact CB-CD2 3.8Å; Q199-L246 HydrophobicContact CB-CG 4.31Å
200R96.6Very high92.5Very high60 Ų6068.7 Ų68.723%0.22635%0.35CS..EExtended strand (participates in β ladder)trans-100.5133.7173.7-67.8-177.3178.31783.7109.1D167 H170 D175 T209 T210D167-R200 PolarHBondContact O-NH2 3.36Å; D167-R200 IonicContact OD1-CZ 2.7Å; D167-R200 IonicContact OD1-NE 3.94Å; D167-R200 IonicContact OD1-NH2 3Å; D167-R200 PolarHBondContact OD1-NH2 2.82Å; H170-R200 VanDerWaalsContact CB-NH1 3.27Å; H170-R200 PolarHBondContact CD2-NE 2.9Å; H170-R200 VanDerWaalsContact CD2-NE 3.31Å; D175-R200 PolarHBondContact O-N 3.39Å; R200-T209 WeakPolarHBondContact CA-O 3.47Å; R200-T210 HydrophobicContact CG-CG2 4.23Å
201H90.6Very high92.9Very high39 Ų3964 Ų6418%0.18132%0.324CS..EExtended strand (participates in β ladder)trans-123132.4176.1-77.7-63.2000110.1Q199 R208 T209 P243 N244Q199-H201 VanDerWaalsContact CG-NE2 3.33Å; Q199-H201 WeakPolarHBondContact CG-NE2 3.41Å; Q199-H201 PolarHBondContact OE1-NE2 3.06Å; H201-R208 WeakPolarHBondContact O-CA 3.42Å; H201-T209 PolarHBondContact N-O 2.85Å; H201-T209 PolarHBondContact O-N 3.18Å; H201-P243 PolarHBondContact CE1-O 3.42Å; H201-P243 PolarHBondContact NE2-O 3.04Å; H201-P243 VanDerWaalsContact NE2-O 3.16Å; H201-N244 PolarHBondContact CE1-OD1 3.47Å; H201-N244 VanDerWaalsContact CE1-OD1 3.29Å; H201-N244 PolarHBondContact ND1-OD1 3.36Å
202V85.5Confident93.3Very high89 Ų8956 Ų5654%0.53929%0.294SS..EExtended strand (participates in β ladder)trans-94.9113.8166.8-173.30000107.6R208V202-R208 HydrophobicContact CG2-CG 4.33Å
203R85.6Confident93.6Very high133 Ų13353.9 Ų53.950%0.50229%0.285SS..  trans-72.9159.1175.7-69.5-174.1-179.9175.8-4.7110.5D205 G206 S207R203-D205 WeakPolarHBondContact CB-OD1 3.36Å; R203-D205 PolarHBondContact O-N 2.95Å; R203-D205 VanDerWaalsContact O-N 3.09Å; R203-G206 WeakPolarHBondContact O-CA 3.46Å; R203-G206 PolarHBondContact O-N 2.87Å; R203-S207 WeakPolarHBondContact CD-OG 3.34Å; R203-S207 PolarHBondContact N-O 3.19Å
204P85.3Confident93.9Very high147 Ų14751.8 Ų51.896%0.95527%0.272SS*.THydrogen-bonded Turntrans-57.6-24.2176.8-26.735.4000114.6G206P204-G206 PolarHBondContact O-N 3.42Å
205D89.8Confident93.9Very high120 Ų12051.8 Ų51.864%0.64227%0.272SS*.THydrogen-bonded Turntrans-80.42.4175.265.96.1000113.6R203 S207R203-D205 WeakPolarHBondContact CB-OD1 3.36Å; R203-D205 PolarHBondContact O-N 2.95Å; R203-D205 VanDerWaalsContact O-N 3.09Å; D205-S207 VanDerWaalsContact C-N 3.27Å; D205-S207 PolarHBondContact O-N 2.96Å; D205-S207 VanDerWaalsContact OD1-CB 3.23Å; D205-S207 WeakPolarHBondContact OD1-CB 3.35Å; D205-S207 PolarHBondContact OD1-N 3.38Å; D205-S207 PolarHBondContact OD1-OG 3.43Å; D205-S207 PolarHBondContact OD2-OG 2.92Å
206G86.7Confident93.8Very high53 Ų5352.7 Ų52.755%0.54628%0.277SS..SBendtrans81.6-4.1-17800000114.5R203 P204R203-G206 WeakPolarHBondContact O-CA 3.46Å; R203-G206 PolarHBondContact O-N 2.87Å; P204-G206 PolarHBondContact O-N 3.42Å
207S90.2Very high93.4Very high45 Ų4553.6 Ų53.632%0.31528%0.282SS..  trans-72.6146.7176.169.70000111.3R203 D205R203-S207 WeakPolarHBondContact CD-OG 3.34Å; R203-S207 PolarHBondContact N-O 3.19Å; D205-S207 VanDerWaalsContact C-N 3.27Å; D205-S207 PolarHBondContact O-N 2.96Å; D205-S207 VanDerWaalsContact OD1-CB 3.23Å; D205-S207 WeakPolarHBondContact OD1-CB 3.35Å; D205-S207 PolarHBondContact OD1-N 3.38Å; D205-S207 PolarHBondContact OD1-OG 3.43Å; D205-S207 PolarHBondContact OD2-OG 2.92Å
208R88.9Confident93.1Very high194 Ų19455.8 Ų55.873%0.73230%0.297SS*.EExtended strand (participates in β ladder)trans-104.9130.4178.7-66.8-177.1179.2-176.1-3.5110H201 V202H201-R208 WeakPolarHBondContact O-CA 3.42Å; V202-R208 HydrophobicContact CG2-CG 4.33Å
209T93Very high92.8Very high44 Ų4460.5 Ų60.527%0.2732%0.317SS..EExtended strand (participates in β ladder)trans-119.4141.7170.852.80000110.7R200 H201R200-T209 WeakPolarHBondContact CA-O 3.47Å; H201-T209 PolarHBondContact N-O 2.85Å; H201-T209 PolarHBondContact O-N 3.18Å
210T96.6Very high92.4Very high64 Ų6461.8 Ų61.839%0.39333%0.325SS..EExtended strand (participates in β ladder)trans-117.9126176.2-510000108.8Q199 R200 R212Q199-T210 CarbonylContact O-C 3.57Å; Q199-T210 VanDerWaalsContact O-CA 3.3Å; Q199-T210 WeakPolarHBondContact O-CA 3.39Å; R200-T210 HydrophobicContact CG-CG2 4.23Å; T210-R212 HydrophobicContact CG2-CG 3.89Å
211Q97.6Very high92.1Very high42 Ų4265.8 Ų65.820%0.19635%0.351CS..EExtended strand (participates in β ladder)trans-103.4127.3167-168.5-175.545.600108.1S198 Q199 V213 D245 L246S198-Q211 WeakPolarHBondContact CA-O 3.46Å; Q199-Q211 PolarHBondContact N-O 3.32Å; Q199-Q211 PolarHBondContact O-N 2.86Å; Q211-V213 HydrophobicContact CG-CG1 4.5Å; Q211-D245 PolarHBondContact NE2-OD1 3.09Å; Q211-L246 VanDerWaalsContact OE1-CB 3.26Å
212R98.5Very high92.1Very high34 Ų3465.3 Ų65.313%0.12835%0.354CS..EExtended strand (participates in β ladder)trans-121.8138.6174.9-60.5-176.7178.1122.9-5.2110.3D167 G197 T210 I305 I306 S307D167-R212 IonicContact OD1-CZ 2.74Å; D167-R212 IonicContact OD1-NH2 3.09Å; D167-R212 PolarHBondContact OD1-NH2 3.45Å; D167-R212 IonicContact OD2-CZ 2.74Å; D167-R212 IonicContact OD2-NH2 3.93Å; D167-R212 PolarHBondContact OD2-NH2 2.9Å; G197-R212 CarbonylContact O-C 3.51Å; G197-R212 VanDerWaalsContact O-CA 3.26Å; G197-R212 WeakPolarHBondContact O-CA 3.42Å; T210-R212 HydrophobicContact CG2-CG 3.89Å; R212-I305 WeakPolarHBondContact O-CA 3.18Å; R212-I306 HydrophobicContact CB-CD1 4.25Å; R212-I306 HydrophobicContact CB-CG1 3.59Å; R212-I306 PolarHBondContact O-N 2.81Å; R212-S307 PolarHBondContact NH1-OXT 3.42Å
213V98.4Very high92.4Very high0 Ų067 Ų670%036%0.364CS..EExtended strand (participates in β ladder)trans-131144.6-176.8-62.60000110.6L196 G197 Q211 I215 L246 K247 A303 T304L196-V213 CarbonylContact C-O 3.56Å; L196-V213 WeakPolarHBondContact CA-O 3.26Å; G197-V213 PolarHBondContact N-O 3.05Å; G197-V213 PolarHBondContact O-N 3.26Å; Q211-V213 HydrophobicContact CG-CG1 4.5Å; V213-I215 HydrophobicContact CB-CD1 4.35Å; V213-I215 HydrophobicContact CG2-CD1 3.79Å; V213-L246 HydrophobicContact CG2-CD2 3.97Å; V213-L246 HydrophobicContact CG2-CG 4.22Å; V213-K247 HydrophobicContact CG1-CB 3.9Å; V213-K247 HydrophobicContact CG1-CG 4.31Å; V213-A303 HydrophobicContact CB-CB 4.28Å; V213-T304 CarbonylContact C-O 3.49Å; V213-T304 VanDerWaalsContact CA-O 3.29Å; V213-T304 WeakPolarHBondContact CA-O 3.45Å
214R98.2Very high92.8Very high14 Ų1461.9 Ų61.95%0.05335%0.346CS..EExtended strand (participates in β ladder)trans-119.6130.5169171.2-178.5176.9129.36.1108.5P185 V194 S195 L196 E216 T304 I306P185-R214 PolarHBondContact O-NH2 2.6Å; V194-R214 HydrophobicContact CG1-CG 4.2Å; S195-R214 WeakPolarHBondContact O-CA 3.16Å; L196-R214 HydrophobicContact CD2-CB 4.01Å; L196-R214 HydrophobicContact CD2-CG 4.4Å; R214-E216 IonicContact CZ-OE1 2.68Å; R214-E216 IonicContact NE-OE1 3.89Å; R214-E216 PolarHBondContact NE-OE1 3.06Å; R214-E216 VanDerWaalsContact NE-OE1 3.09Å; R214-E216 IonicContact NH2-OE1 2.67Å; R214-E216 PolarHBondContact NH2-OE1 3.06Å; R214-T304 PolarHBondContact N-O 3.44Å; R214-T304 PolarHBondContact O-N 3.31Å; R214-T304 PolarHBondContact O-OG1 3.42Å; R214-T304 VanDerWaalsContact O-OG1 3.11Å; R214-I306 HydrophobicContact CB-CD1 4.29Å; R214-I306 HydrophobicContact CB-CG2 3.89Å
215I97.7Very high93.2Very high0 Ų057.5 Ų57.50%032%0.316CS..EExtended strand (participates in β ladder)trans-122.3136.9179-56.3106.5000108.8S195 V213 V217 C250 F254 T301 A303S195-I215 PolarHBondContact N-O 3.28Å; S195-I215 PolarHBondContact O-N 3.29Å; V213-I215 HydrophobicContact CB-CD1 4.35Å; V213-I215 HydrophobicContact CG2-CD1 3.79Å; I215-V217 HydrophobicContact CG2-CG2 3.9Å; I215-C250 HydrophobicContact CD1-CB 3.82Å; I215-F254 HydrophobicContact CB-CD2 4.27Å; I215-F254 HydrophobicContact CB-CE2 4.34Å; I215-F254 HydrophobicContact CD1-CD2 4.13Å; I215-F254 HydrophobicContact CD1-CE2 3.89Å; I215-F254 HydrophobicContact CG1-CD2 4.2Å; I215-F254 HydrophobicContact CG1-CE2 4.36Å; I215-F254 HydrophobicContact CG2-CB 4.43Å; I215-F254 HydrophobicContact CG2-CD2 3.96Å; I215-F254 HydrophobicContact CG2-CE2 4.44Å; I215-F254 HydrophobicContact CG2-CG 4.1Å; I215-T301 HydrophobicContact CG2-CG2 3.24Å; I215-A303 HydrophobicContact CD1-CB 4.31Å; I215-A303 HydrophobicContact CG1-CB 3.61Å
216E95.6Very high93.3Very high20 Ų2052.1 Ų52.19%0.09329%0.289CS..EExtended strand (participates in β ladder)trans-114.8117.4173.1-65.3-166.8-170.300110.2P186 R187 L188 F192 L193 V194 R214P186-E216 WeakPolarHBondContact CB-OE2 3.2Å; R187-E216 WeakPolarHBondContact CB-OE1 2.94Å; R187-E216 WeakPolarHBondContact CG-OE1 3.5Å; R187-E216 PolarHBondContact N-OE1 3.24Å; R187-E216 PolarHBondContact N-OE2 3.09Å; L188-E216 WeakPolarHBondContact CB-OE2 3.2Å; L188-E216 HydrophobicContact CD1-CB 3.93Å; L188-E216 HydrophobicContact CG-CB 4.45Å; L188-E216 WeakPolarHBondContact CG-OE2 3.36Å; L188-E216 PolarHBondContact N-OE2 2.75Å; F192-E216 HydrophobicContact CB-CB 4.37Å; F192-E216 HydrophobicContact CD1-CB 4.27Å; L193-E216 CarbonylContact O-C 3.57Å; L193-E216 VanDerWaalsContact O-CA 3.3Å; L193-E216 WeakPolarHBondContact O-CA 3.13Å; V194-E216 HydrophobicContact CG2-CG 4.28Å; R214-E216 IonicContact CZ-OE1 2.68Å; R214-E216 IonicContact NE-OE1 3.89Å; R214-E216 PolarHBondContact NE-OE1 3.06Å; R214-E216 VanDerWaalsContact NE-OE1 3.09Å; R214-E216 IonicContact NH2-OE1 2.67Å; R214-E216 PolarHBondContact NH2-OE1 3.06Å
217V91.3Very high93.8Very high20 Ų2051.4 Ų51.412%0.12127%0.274CS..EExtended strand (participates in β ladder)trans-113.5132-170.5-170.60000109.5F192 L193 I215 K219 F254 T301F192-V217 CarbonylContact C-O 3.41Å; F192-V217 VanDerWaalsContact CA-O 3.25Å; F192-V217 WeakPolarHBondContact CA-O 2.98Å; L193-V217 PolarHBondContact N-O 2.9Å; L193-V217 PolarHBondContact O-N 3.14Å; I215-V217 HydrophobicContact CG2-CG2 3.9Å; V217-K219 PolarHBondContact O-N 3.11Å; V217-F254 HydrophobicContact CG2-CD1 3.4Å; V217-F254 HydrophobicContact CG2-CE1 3.69Å; V217-F254 HydrophobicContact CG2-CG 4.08Å; V217-T301 HydrophobicContact CG2-CG2 4.18Å
218P91.8Very high94Very high46 Ų4650.7 Ų50.730%0.29927%0.273SS..EExtended strand (participates in β ladder)trans-56.6128.9175.6-23.632.2000112.2F192F192-P218 HydrophobicContact CD1-CG 4.16Å; F192-P218 HydrophobicContact CE1-CB 4.35Å; F192-P218 HydrophobicContact CE1-CG 3.7Å; F192-P218 HydrophobicContact CZ-CG 4.42Å
219K91.3Very high94.5Very high98 Ų9842.2 Ų42.243%0.42624%0.242SC..  trans-65.6143.5169.1-74.1173.5-178.9164.40109.5D190 R191 F192 L193 V217D190-K219 WeakPolarHBondContact O-CD 3.48Å; D190-K219 PolarHBondContact O-NZ 3.41Å; R191-K219 WeakPolarHBondContact O-CB 3.43Å; R191-K219 PolarHBondContact O-N 2.88Å; F192-K219 WeakPolarHBondContact O-CE 3.06Å; F192-K219 PolarHBondContact O-NZ 3.48Å; L193-K219 HydrophobicContact CD1-CG 4.17Å; L193-K219 HydrophobicContact CD2-CD 4.27Å; L193-K219 HydrophobicContact CD2-CG 4.05Å; L193-K219 HydrophobicContact CG-CD 4.3Å; L193-K219 HydrophobicContact CG-CG 3.58Å; V217-K219 PolarHBondContact O-N 3.11Å
220V91.7Very high94.7Very high36 Ų3640.1 Ų40.122%0.21823%0.23CC..  trans-116.7129.7168.3179.30000107.2A222 F224 I261 I265V220-A222 HydrophobicContact CG1-CB 4.43Å; V220-A222 PolarHBondContact O-N 2.71Å; V220-F224 HydrophobicContact CB-CE2 4.03Å; V220-F224 HydrophobicContact CG1-CE2 3.75Å; V220-F224 HydrophobicContact CG1-CZ 3.83Å; V220-I261 HydrophobicContact CB-CG2 4Å; V220-I261 HydrophobicContact CG1-CG2 4.19Å; V220-I261 HydrophobicContact CG2-CG2 3.62Å; V220-I265 HydrophobicContact CG1-CB 3.92Å; V220-I265 HydrophobicContact CG1-CD1 4.27Å; V220-I265 HydrophobicContact CG1-CG1 3.69Å; V220-I265 HydrophobicContact CG1-CG2 4.04Å
221D89.7Confident94.8Very high144 Ų14437.4 Ų37.477%0.7721%0.213SC*.SBendtrans-76.661.4-177.7-173.427.6000111.2
222A90.8Very high94.9Very high28 Ų2835.5 Ų35.523%0.23120%0.204CC..SBendtrans-157.8152.217600000110.1V220 F224 I265 L283V220-A222 HydrophobicContact CG1-CB 4.43Å; V220-A222 PolarHBondContact O-N 2.71Å; A222-F224 HydrophobicContact CB-CD2 4.45Å; A222-F224 HydrophobicContact CB-CE1 4.47Å; A222-F224 HydrophobicContact CB-CE2 3.68Å; A222-F224 HydrophobicContact CB-CZ 3.7Å; A222-I265 HydrophobicContact CB-CD1 3.7Å; A222-L283 HydrophobicContact CB-CD1 4.29Å; A222-L283 HydrophobicContact CB-CD2 3.94Å
223V91.2Very high94.9Very high124 Ų12433.9 Ų33.975%0.75220%0.198SC*.  trans-97.7113.6174.4-178.70000108.2
224F93.8Very high94.9Very high27 Ų2733.9 Ų33.912%0.11820%0.198CC..  trans-98.4149.4175.1-57.4-87.3000109.7V220 A222 T227 I261 T264 I265 L283 L285V220-F224 HydrophobicContact CB-CE2 4.03Å; V220-F224 HydrophobicContact CG1-CE2 3.75Å; V220-F224 HydrophobicContact CG1-CZ 3.83Å; A222-F224 HydrophobicContact CB-CD2 4.45Å; A222-F224 HydrophobicContact CB-CE1 4.47Å; A222-F224 HydrophobicContact CB-CE2 3.68Å; A222-F224 HydrophobicContact CB-CZ 3.7Å; F224-T227 HydrophobicContact CB-CG2 3.63Å; F224-T227 HydrophobicContact CG-CG2 4.41Å; F224-I261 HydrophobicContact CD2-CG2 4.33Å; F224-I261 HydrophobicContact CE1-CG2 4.42Å; F224-I261 HydrophobicContact CE2-CG2 3.71Å; F224-I261 HydrophobicContact CZ-CG2 3.77Å; F224-T264 HydrophobicContact CD1-CG2 4.14Å; F224-T264 HydrophobicContact CE1-CG2 3.77Å; F224-I265 HydrophobicContact CZ-CB 4.12Å; F224-I265 HydrophobicContact CZ-CD1 4.22Å; F224-L283 HydrophobicContact CD1-CB 4.48Å; F224-L283 HydrophobicContact CD1-CD2 4.42Å; F224-L283 HydrophobicContact CE1-CD2 3.79Å; F224-L283 HydrophobicContact CZ-CD2 4.25Å; F224-L285 HydrophobicContact CB-CD2 4.47Å; F224-L285 HydrophobicContact CD1-CD2 4.21Å
225V93.6Very high95Very high55 Ų5533.2 Ų33.233%0.33320%0.195SC..SBendtrans-117.4141172.2-1680000107.5V17 H44V17-V225 HydrophobicContact CG1-CB 4.16Å; V17-V225 HydrophobicContact CG1-CG1 3.67Å; H44-V225 HydrophobicContact CB-CG1 4.22Å
226G93.4Very high95Very high7 Ų733.2 Ų33.27%0.07220%0.195CC..SBendtrans91.32.6-179.600000115.5S21 D229 L230S21-G226 PolarHBondContact OG-O 3.25Å; G226-D229 WeakPolarHBondContact CA-OD2 3.49Å; G226-L230 PolarHBondContact O-N 3.38Å; G226-L230 VanDerWaalsContact O-N 3.14Å
227T95.8Very high95.2Very high38 Ų3832.3 Ų32.323%0.23319%0.191CC..Hα-helixtrans-69.9-37.3176.345.30000112.5F224 L230 F231 M257 I261 L285F224-T227 HydrophobicContact CB-CG2 3.63Å; F224-T227 HydrophobicContact CG-CG2 4.41Å; T227-L230 PolarHBondContact O-N 3.36Å; T227-F231 VanDerWaalsContact O-CB 3.26Å; T227-F231 WeakPolarHBondContact O-CB 3.25Å; T227-F231 PolarHBondContact O-N 3.28Å; T227-M257 HydrophobicContact CG2-CE 3.95Å; T227-M257 WeakPolarHBondContact O-CE 3.21Å; T227-I261 HydrophobicContact CG2-CD1 4.26Å; T227-I261 HydrophobicContact CG2-CG1 4.38Å; T227-L285 HydrophobicContact CG2-CD2 4.1Å
228G95.9Very high95.5Very high29 Ų2932 Ų3230%0.29919%0.188SC..Hα-helixtrans-61.6-46.1172.900000112.1L230 F231 A232G228-L230 PolarHBondContact O-N 2.85Å; G228-F231 WeakPolarHBondContact O-CB 3.26Å; G228-F231 PolarHBondContact O-N 3.2Å; G228-F231 VanDerWaalsContact O-N 3.11Å; G228-A232 PolarHBondContact O-N 3.35Å
229D97.8Very high95.9Very high16 Ų1630.2 Ų30.29%0.08618%0.176CC..Hα-helixtrans-60.1-44.7177.4-51.3-55000112G18 G226 A233G18-D229 PolarHBondContact N-OD2 3.17Å; G226-D229 WeakPolarHBondContact CA-OD2 3.49Å; D229-A233 WeakPolarHBondContact O-CB 3.45Å; D229-A233 PolarHBondContact O-N 3.09Å
230L98.7Very high96.2Very high1 Ų129 Ų291%0.00517%0.172CC..Hα-helixtrans-63.2-43.8174.5174.561.3000111P25 G226 T227 G228 A233 M234 M257 V260 L285 M287P25-L230 HydrophobicContact CB-CD1 4.07Å; P25-L230 HydrophobicContact CG-CD1 3.5Å; P25-L230 VanDerWaalsContact CG-CD1 3.5Å; G226-L230 PolarHBondContact O-N 3.38Å; G226-L230 VanDerWaalsContact O-N 3.14Å; T227-L230 PolarHBondContact O-N 3.36Å; G228-L230 PolarHBondContact O-N 2.85Å; L230-A233 PolarHBondContact O-N 3.46Å; L230-M234 HydrophobicContact CD1-CG 3.81Å; L230-M234 HydrophobicContact CG-CG 4.32Å; L230-M234 WeakPolarHBondContact O-CB 3.3Å; L230-M234 VanDerWaalsContact O-CG 3.28Å; L230-M234 WeakPolarHBondContact O-CG 3.46Å; L230-M234 PolarHBondContact O-N 3.2Å; L230-M257 HydrophobicContact CB-SD 4.17Å; L230-M257 HydrophobicContact CD2-CE 4.22Å; L230-M257 HydrophobicContact CD2-SD 3.63Å; L230-M257 HydrophobicContact CG-SD 3.64Å; L230-V260 HydrophobicContact CD2-CB 4.27Å; L230-V260 HydrophobicContact CD2-CG1 4.02Å; L230-V260 HydrophobicContact CD2-CG2 4.16Å; L230-L285 HydrophobicContact CD2-CD1 4.42Å; L230-M287 HydrophobicContact CB-CE 4.47Å; L230-M287 HydrophobicContact CD1-CE 4.01Å; L230-M287 HydrophobicContact CD1-SD 3.99Å; L230-M287 HydrophobicContact CD2-CE 4.11Å; L230-M287 HydrophobicContact CD2-SD 4.43Å; L230-M287 HydrophobicContact CG-CE 4.42Å
231F98.8Very high96.5Very high7 Ų731.5 Ų31.53%0.03118%0.181CC..Hα-helixtrans-60.1-49.5-179.6-177.5-86.7000111.5T142 V178 T180 T227 G228 A233 M234 L235 T253 F254 M257T142-F231 HydrophobicContact CG2-CD1 4.05Å; T142-F231 HydrophobicContact CG2-CE1 3.96Å; V178-F231 HydrophobicContact CB-CE1 4.41Å; V178-F231 HydrophobicContact CG1-CE1 4.03Å; V178-F231 HydrophobicContact CG1-CZ 3.79Å; T180-F231 HydrophobicContact CG2-CD1 3.66Å; T180-F231 HydrophobicContact CG2-CE1 3.57Å; T180-F231 HydrophobicContact CG2-CG 4.36Å; T180-F231 HydrophobicContact CG2-CZ 4.21Å; T227-F231 VanDerWaalsContact O-CB 3.26Å; T227-F231 WeakPolarHBondContact O-CB 3.25Å; T227-F231 PolarHBondContact O-N 3.28Å; G228-F231 WeakPolarHBondContact O-CB 3.26Å; G228-F231 PolarHBondContact O-N 3.2Å; G228-F231 VanDerWaalsContact O-N 3.11Å; F231-A233 VanDerWaalsContact C-N 3.33Å; F231-A233 PolarHBondContact O-N 3.35Å; F231-M234 PolarHBondContact O-N 2.7Å; F231-L235 HydrophobicContact CE1-CB 4.35Å; F231-L235 HydrophobicContact CE1-CD2 4.05Å; F231-L235 WeakPolarHBondContact O-CB 3.37Å; F231-L235 PolarHBondContact O-N 2.99Å; F231-T253 HydrophobicContact CD2-CG2 3.56Å; F231-T253 HydrophobicContact CE2-CG2 3.44Å; F231-T253 VanDerWaalsContact CE2-CG2 3.44Å; F231-T253 HydrophobicContact CG-CG2 4.17Å; F231-T253 HydrophobicContact CZ-CG2 3.97Å; F231-F254 HydrophobicContact CD2-CE1 4.34Å; F231-F254 HydrophobicContact CD2-CZ 4.38Å; F231-F254 HydrophobicContact CE2-CD1 4.13Å; F231-F254 HydrophobicContact CE2-CD2 4.11Å; F231-F254 AromaticContact CE2-CE1 3.65Å; F231-F254 HydrophobicContact CE2-CE1 3.65Å; F231-F254 AromaticContact CE2-CE2 3.6Å; F231-F254 HydrophobicContact CE2-CE2 3.6Å; F231-F254 HydrophobicContact CE2-CG 4.35Å; F231-F254 AromaticContact CE2-CZ 3.34Å; F231-F254 HydrophobicContact CE2-CZ 3.34Å; F231-F254 HydrophobicContact CZ-CE1 4.48Å; F231-F254 AromaticContact CZ-CE2 3.84Å; F231-F254 HydrophobicContact CZ-CE2 3.84Å; F231-F254 AromaticContact CZ-CZ 3.75Å; F231-F254 HydrophobicContact CZ-CZ 3.75Å; F231-M257 HydrophobicContact CB-CE 4.39Å; F231-M257 HydrophobicContact CB-SD 4.14Å; F231-M257 HydrophobicContact CD2-CG 3.97Å; F231-M257 HydrophobicContact CD2-SD 4.49Å
232A98.8Very high96.9Very high2 Ų228.7 Ų28.72%0.01716%0.16CC..Hα-helixtrans-62.4-40.6179.800000111.9L79 D111 T142 G228 L235 L236L79-A232 HydrophobicContact CD1-CB 4.02Å; D111-A232 HydrophobicContact CB-CB 4.33Å; T142-A232 HydrophobicContact CG2-CB 4.39Å; G228-A232 PolarHBondContact O-N 3.35Å; A232-L235 PolarHBondContact O-N 3.46Å; A232-L236 WeakPolarHBondContact O-CB 3.44Å; A232-L236 PolarHBondContact O-N 3.42Å
233A98.9Very high97.1Very high0 Ų030.6 Ų30.60%017%0.17CC..Hα-helixtrans-64.4-41.6175.500000112.7A22 L26 L79 D229 L230 F231 L236 A237A22-A233 HydrophobicContact CB-CB 3.76Å; L26-A233 HydrophobicContact CD1-CB 4.27Å; L26-A233 WeakPolarHBondContact CD2-O 3.44Å; L26-A233 HydrophobicContact CG-CB 4.12Å; L79-A233 HydrophobicContact CD2-CB 4.15Å; D229-A233 WeakPolarHBondContact O-CB 3.45Å; D229-A233 PolarHBondContact O-N 3.09Å; L230-A233 PolarHBondContact O-N 3.46Å; F231-A233 VanDerWaalsContact C-N 3.33Å; F231-A233 PolarHBondContact O-N 3.35Å; A233-L236 WeakPolarHBondContact O-CB 3.29Å; A233-L236 PolarHBondContact O-N 3.13Å; A233-A237 PolarHBondContact O-N 3.11Å; A233-A237 VanDerWaalsContact O-N 3.14Å
234M98.8Very high97.3Very high0 Ų030.2 Ų30.20%016%0.164CC..Hα-helixtrans-71-39.2176.7-67.5-61.481.800112.7P25 L29 L230 F231 L236 A237 W238 T253 V256 I294P25-M234 HydrophobicContact CB-CE 3.13Å; P25-M234 HydrophobicContact CB-SD 3.87Å; P25-M234 HydrophobicContact CG-CE 4.4Å; L29-M234 HydrophobicContact CD1-CE 3.49Å; L29-M234 VanDerWaalsContact CD1-CE 3.49Å; L29-M234 HydrophobicContact CD1-SD 3.9Å; L230-M234 HydrophobicContact CD1-CG 3.81Å; L230-M234 HydrophobicContact CG-CG 4.32Å; L230-M234 WeakPolarHBondContact O-CB 3.3Å; L230-M234 VanDerWaalsContact O-CG 3.28Å; L230-M234 WeakPolarHBondContact O-CG 3.46Å; L230-M234 PolarHBondContact O-N 3.2Å; F231-M234 PolarHBondContact O-N 2.7Å; M234-L236 VanDerWaalsContact C-N 3.32Å; M234-L236 PolarHBondContact O-N 2.87Å; M234-A237 HydrophobicContact CE-CB 4.41Å; M234-A237 PolarHBondContact O-N 3.03Å; M234-W238 PolarHBondContact O-N 2.84Å; M234-T253 HydrophobicContact CB-CG2 3.89Å; M234-V256 HydrophobicContact CG-CB 4.42Å; M234-V256 HydrophobicContact CG-CG1 4.04Å; M234-V256 HydrophobicContact SD-CG1 4.11Å; M234-V256 HydrophobicContact SD-CG2 4.32Å; M234-I294 HydrophobicContact CE-CG2 4.48Å; M234-I294 HydrophobicContact SD-CG2 3.95Å
235L98.9Very high97.5Very high0 Ų031.3 Ų31.30%017%0.171CC..Hα-helixtrans-63.3-40.8174.6-172.468.2000110.9I140 T142 V178 F231 A232 W238 T239 T253I140-L235 HydrophobicContact CG2-CD2 3.91Å; T142-L235 HydrophobicContact CG2-CD2 3.57Å; V178-L235 HydrophobicContact CB-CD2 4.19Å; V178-L235 HydrophobicContact CG2-CD1 4.38Å; V178-L235 HydrophobicContact CG2-CD2 3.69Å; F231-L235 HydrophobicContact CE1-CB 4.35Å; F231-L235 HydrophobicContact CE1-CD2 4.05Å; F231-L235 WeakPolarHBondContact O-CB 3.37Å; F231-L235 PolarHBondContact O-N 2.99Å; A232-L235 PolarHBondContact O-N 3.46Å; L235-W238 PolarHBondContact O-N 2.98Å; L235-T239 HydrophobicContact CD1-CG2 3.86Å; L235-T239 HydrophobicContact CG-CG2 4.07Å; L235-T239 VanDerWaalsContact O-CB 3.3Å; L235-T239 WeakPolarHBondContact O-CB 3.45Å; L235-T239 VanDerWaalsContact O-CG2 3.26Å; L235-T239 WeakPolarHBondContact O-CG2 3.42Å; L235-T239 PolarHBondContact O-N 3.25Å; L235-T239 PolarHBondContact O-OG1 3.48Å; L235-T253 HydrophobicContact CB-CG2 4.35Å
236L98.9Very high97.7Very high0 Ų028.7 Ų28.70%016%0.155CC..Hα-helixtrans-54.5-54.6172.5-176.2166000110.6V5 L26 F31 Y77 L79 V109 A232 A233 M234 W238 T239 H240V5-L236 HydrophobicContact CG1-CD1 4.04Å; V5-L236 HydrophobicContact CG2-CD2 4.36Å; L26-L236 HydrophobicContact CD2-CD2 3.98Å; F31-L236 HydrophobicContact CD1-CD2 4.28Å; F31-L236 HydrophobicContact CE1-CD2 3.85Å; F31-L236 HydrophobicContact CZ-CD2 4.24Å; Y77-L236 HydrophobicContact CD1-CD1 3.95Å; Y77-L236 HydrophobicContact CD1-CD2 3.85Å; Y77-L236 HydrophobicContact CD1-CG 3.64Å; Y77-L236 HydrophobicContact CD2-CD2 4.36Å; Y77-L236 HydrophobicContact CE1-CD2 4.11Å; Y77-L236 HydrophobicContact CE1-CG 4.04Å; Y77-L236 HydrophobicContact CG-CD1 4.2Å; Y77-L236 HydrophobicContact CG-CD2 4.01Å; Y77-L236 HydrophobicContact CG-CG 4.17Å; L79-L236 HydrophobicContact CB-CD1 4.09Å; L79-L236 HydrophobicContact CD2-CD1 4.43Å; V109-L236 HydrophobicContact CB-CD1 4.33Å; V109-L236 HydrophobicContact CG2-CB 4.04Å; V109-L236 HydrophobicContact CG2-CD1 3.87Å; V109-L236 HydrophobicContact CG2-CG 3.88Å; A232-L236 WeakPolarHBondContact O-CB 3.44Å; A232-L236 PolarHBondContact O-N 3.42Å; A233-L236 WeakPolarHBondContact O-CB 3.29Å; A233-L236 PolarHBondContact O-N 3.13Å; M234-L236 VanDerWaalsContact C-N 3.32Å; M234-L236 PolarHBondContact O-N 2.87Å; L236-W238 PolarHBondContact O-N 3.36Å; L236-T239 PolarHBondContact O-OG1 3.37Å; L236-H240 WeakPolarHBondContact O-CB 3.29Å; L236-H240 PolarHBondContact O-N 2.88Å
237A98.8Very high97.9Very high0 Ų031.1 Ų31.10%016%0.163CC..Hα-helixtrans-61.8-45.8-177.800000112.6L26 L29 F31 A233 M234 H240 H241L26-A237 HydrophobicContact CD2-CB 4.15Å; L29-A237 HydrophobicContact CD1-CB 3.51Å; F31-A237 HydrophobicContact CD2-CB 4.42Å; F31-A237 HydrophobicContact CE2-CB 3.62Å; F31-A237 HydrophobicContact CZ-CB 4.07Å; A233-A237 PolarHBondContact O-N 3.11Å; A233-A237 VanDerWaalsContact O-N 3.14Å; M234-A237 HydrophobicContact CE-CB 4.41Å; M234-A237 PolarHBondContact O-N 3.03Å; A237-H240 WeakPolarHBondContact O-CB 3.47Å; A237-H240 PolarHBondContact O-N 2.97Å; A237-H241 PolarHBondContact O-CD2 2.92Å; A237-H241 PolarHBondContact O-N 3.36Å; A237-H241 VanDerWaalsContact O-N 3.15Å
238W98.8Very high98Very high15 Ų1530.8 Ų30.86%0.05716%0.162CC..Hα-helixtrans-76.7-30.5-176.1-65.7121.1000113.4L29 M234 L235 L236 H240 H241 Y242 A249 K252 P297L29-W238 HydrophobicContact CD1-CZ2 4.46Å; L29-W238 HydrophobicContact CD2-CH2 4.16Å; L29-W238 HydrophobicContact CD2-CZ2 4.15Å; M234-W238 PolarHBondContact O-N 2.84Å; L235-W238 PolarHBondContact O-N 2.98Å; L236-W238 PolarHBondContact O-N 3.36Å; W238-H240 VanDerWaalsContact C-N 3.31Å; W238-H241 HydrophobicContact CE3-CB 4.36Å; W238-H241 AromaticContact CE3-CD2 3.84Å; W238-H241 AromaticContact CZ3-CD2 3.96Å; W238-H241 PolarHBondContact O-N 2.94Å; W238-Y242 HydrophobicContact CE3-CD2 4.31Å; W238-Y242 AromaticContact CE3-CE2 3.92Å; W238-Y242 HydrophobicContact CE3-CE2 3.92Å; W238-Y242 HydrophobicContact CZ3-CE2 4.32Å; W238-Y242 WeakPolarHBondContact O-CB 3.21Å; W238-Y242 WeakPolarHBondContact O-CD2 3.37Å; W238-Y242 PolarHBondContact O-N 3.25Å; W238-A249 HydrophobicContact CB-CB 4Å; W238-K252 HydrophobicContact CD2-CB 3.77Å; W238-K252 HydrophobicContact CD2-CD 3.72Å; W238-K252 HydrophobicContact CD2-CG 4.38Å; W238-K252 HydrophobicContact CE3-CB 4.4Å; W238-K252 HydrophobicContact CE3-CD 3.45Å; W238-K252 VanDerWaalsContact CE3-CD 3.45Å; W238-K252 HydrophobicContact CG-CB 3.83Å; W238-K252 HydrophobicContact CG-CD 4.48Å; W238-K252 HydrophobicContact CH2-CD 3.93Å; W238-K252 HydrophobicContact CZ2-CB 4.42Å; W238-K252 HydrophobicContact CZ2-CD 4.15Å; W238-K252 HydrophobicContact CZ3-CD 3.57Å; W238-P297 HydrophobicContact CZ2-CG 4.06Å
239T98.7Very high98.2Very high8 Ų829.4 Ų29.45%0.04915%0.147CC..Hα-helixtrans-71.4-27.9170.555.90000111.9I140 L235 L236 Y242 P243 L246 A249I140-T239 HydrophobicContact CD1-CG2 4.49Å; L235-T239 HydrophobicContact CD1-CG2 3.86Å; L235-T239 HydrophobicContact CG-CG2 4.07Å; L235-T239 VanDerWaalsContact O-CB 3.3Å; L235-T239 WeakPolarHBondContact O-CB 3.45Å; L235-T239 VanDerWaalsContact O-CG2 3.26Å; L235-T239 WeakPolarHBondContact O-CG2 3.42Å; L235-T239 PolarHBondContact O-N 3.25Å; L235-T239 PolarHBondContact O-OG1 3.48Å; L236-T239 PolarHBondContact O-OG1 3.37Å; T239-Y242 CarbonylContact O-C 3.53Å; T239-Y242 VanDerWaalsContact O-C 3.3Å; T239-P243 WeakPolarHBondContact O-CA 3.43Å; T239-P243 VanDerWaalsContact O-N 3.1Å; T239-L246 HydrophobicContact CG2-CD1 4.49Å; T239-A249 HydrophobicContact CG2-CB 3.84Å
240H98.4Very high98.2Very high72 Ų7228.7 Ų28.733%0.33314%0.143SC..Hα-helixtrans-62.5-45.8168.3177.279.4000112F31 Y77 L236 A237 W238F31-H240 HydrophobicContact CE1-CB 4.25Å; F31-H240 HydrophobicContact CZ-CB 3.88Å; F31-H240 AromaticContact CZ-CD2 3.74Å; F31-H240 AromaticContact CZ-CG 3.84Å; Y77-H240 AromaticContact CE2-ND1 3.63Å; Y77-H240 AromaticContact CZ-ND1 3.71Å; Y77-H240 WeakPolarHBondContact OH-CB 3.37Å; Y77-H240 PolarHBondContact OH-ND1 2.6Å; L236-H240 WeakPolarHBondContact O-CB 3.29Å; L236-H240 PolarHBondContact O-N 2.88Å; A237-H240 WeakPolarHBondContact O-CB 3.47Å; A237-H240 PolarHBondContact O-N 2.97Å; W238-H240 VanDerWaalsContact C-N 3.31Å
241H97.9Very high98.2Very high89 Ų8929.4 Ų29.441%0.41215%0.147SC..Hα-helixtrans-73.4-29.1178.6-67-56.2000113.6A237 W238 P243A237-H241 PolarHBondContact O-CD2 2.92Å; A237-H241 PolarHBondContact O-N 3.36Å; A237-H241 VanDerWaalsContact O-N 3.15Å; W238-H241 HydrophobicContact CE3-CB 4.36Å; W238-H241 AromaticContact CE3-CD2 3.84Å; W238-H241 AromaticContact CZ3-CD2 3.96Å; W238-H241 PolarHBondContact O-N 2.94Å; H241-P243 VanDerWaalsContact C-CD 3.48Å
242Y97.8Very high98.2Very high84 Ų8430.2 Ų30.233%0.32915%0.15SC..  trans-128.164.6-177.1-59.6-80.7000111.1W238 T239 N244 D245 T248 K252W238-Y242 HydrophobicContact CE3-CD2 4.31Å; W238-Y242 AromaticContact CE3-CE2 3.92Å; W238-Y242 HydrophobicContact CE3-CE2 3.92Å; W238-Y242 HydrophobicContact CZ3-CE2 4.32Å; W238-Y242 WeakPolarHBondContact O-CB 3.21Å; W238-Y242 WeakPolarHBondContact O-CD2 3.37Å; W238-Y242 PolarHBondContact O-N 3.25Å; T239-Y242 CarbonylContact O-C 3.53Å; T239-Y242 VanDerWaalsContact O-C 3.3Å; Y242-N244 PolarHBondContact O-N 3.01Å; Y242-N244 VanDerWaalsContact O-N 3.12Å; Y242-D245 PolarHBondContact O-N 3.19Å; Y242-D245 VanDerWaalsContact O-N 3.14Å; Y242-T248 HydrophobicContact CD1-CG2 3.8Å; Y242-T248 HydrophobicContact CD2-CG2 3.93Å; Y242-T248 HydrophobicContact CE1-CG2 3.71Å; Y242-T248 HydrophobicContact CE2-CG2 3.86Å; Y242-T248 HydrophobicContact CG-CG2 3.9Å; Y242-K252 HydrophobicContact CE2-CD 3.83Å
243P96.1Very high98.2Very high68 Ų6830.1 Ų30.144%0.44215%0.149SC..THydrogen-bonded Turntrans-61.6-29.9-170.223.5-34.2000113.4Q199 H201 T239 H241Q199-P243 PolarHBondContact NE2-O 3.47Å; Q199-P243 VanDerWaalsContact NE2-O 3.11Å; Q199-P243 PolarHBondContact OE1-O 2.94Å; H201-P243 PolarHBondContact CE1-O 3.42Å; H201-P243 PolarHBondContact NE2-O 3.04Å; H201-P243 VanDerWaalsContact NE2-O 3.16Å; T239-P243 WeakPolarHBondContact O-CA 3.43Å; T239-P243 VanDerWaalsContact O-N 3.1Å; H241-P243 VanDerWaalsContact C-CD 3.48Å
244N94.7Very high98.2Very high116 Ų11630.6 Ų30.662%0.6215%0.152SC*.THydrogen-bonded Turntrans-108.812.4-177.6-59.1-52.6000113.8H201 Y242H201-N244 PolarHBondContact CE1-OD1 3.47Å; H201-N244 VanDerWaalsContact CE1-OD1 3.29Å; H201-N244 PolarHBondContact ND1-OD1 3.36Å; Y242-N244 PolarHBondContact O-N 3.01Å; Y242-N244 VanDerWaalsContact O-N 3.12Å
245D97.2Very high98.2Very high50 Ų5030.6 Ų30.627%0.26715%0.152SC..  trans-138.374.8-177.6-171.77.8000111.2Q211 Y242 K247 T248 A249Q211-D245 PolarHBondContact NE2-OD1 3.09Å; Y242-D245 PolarHBondContact O-N 3.19Å; Y242-D245 VanDerWaalsContact O-N 3.14Å; D245-K247 PolarHBondContact O-N 3.26Å; D245-K247 WeakPolarHBondContact OD1-CB 3.44Å; D245-K247 PolarHBondContact OD1-N 3.03Å; D245-T248 PolarHBondContact O-N 3.39Å; D245-T248 PolarHBondContact OD1-N 3.36Å; D245-T248 VanDerWaalsContact OD2-CB 3.27Å; D245-T248 WeakPolarHBondContact OD2-CB 3.43Å; D245-T248 PolarHBondContact OD2-OG1 3.07Å; D245-A249 PolarHBondContact O-N 2.98Å
246L98.3Very high98.2Very high0 Ų030.6 Ų30.60%015%0.152CC..Hα-helixtrans-54.8-32.1174.2-17567.7000111.8T176 V178 Q199 Q211 V213 T239 A249 C250T176-L246 HydrophobicContact CG2-CD1 3.83Å; V178-L246 HydrophobicContact CG2-CD1 4.32Å; Q199-L246 HydrophobicContact CB-CB 3.99Å; Q199-L246 HydrophobicContact CB-CD2 3.8Å; Q199-L246 HydrophobicContact CB-CG 4.31Å; Q211-L246 VanDerWaalsContact OE1-CB 3.26Å; V213-L246 HydrophobicContact CG2-CD2 3.97Å; V213-L246 HydrophobicContact CG2-CG 4.22Å; T239-L246 HydrophobicContact CG2-CD1 4.49Å; L246-A249 PolarHBondContact O-N 2.72Å; L246-C250 VanDerWaalsContact O-CB 3.24Å; L246-C250 WeakPolarHBondContact O-CB 3.27Å; L246-C250 PolarHBondContact O-N 2.65Å; L246-C250 PolarHBondContact O-SG 3.19Å; L246-C250 VanDerWaalsContact O-SG 3.38Å
247K98.4Very high98.1Very high58 Ų5831.2 Ų31.225%0.25216%0.155SC..Hα-helixtrans-57.6-56.9176.8-174.3-168.1173-75.40110.3V213 D245 A249 C250 E251 A303 I305V213-K247 HydrophobicContact CG1-CB 3.9Å; V213-K247 HydrophobicContact CG1-CG 4.31Å; D245-K247 PolarHBondContact O-N 3.26Å; D245-K247 WeakPolarHBondContact OD1-CB 3.44Å; D245-K247 PolarHBondContact OD1-N 3.03Å; K247-A249 VanDerWaalsContact C-N 3.33Å; K247-A249 PolarHBondContact O-N 2.82Å; K247-C250 PolarHBondContact O-N 2.93Å; K247-E251 WeakPolarHBondContact CE-OE1 3.35Å; K247-E251 IonicContact NZ-OE1 2.65Å; K247-E251 PolarHBondContact NZ-OE1 2.85Å; K247-E251 IonicContact NZ-OE2 3.11Å; K247-E251 PolarHBondContact NZ-OE2 3.11Å; K247-E251 VanDerWaalsContact O-CG 3.29Å; K247-E251 WeakPolarHBondContact O-CG 3.5Å; K247-E251 PolarHBondContact O-N 2.83Å; K247-A303 WeakPolarHBondContact CE-O 3.47Å; K247-A303 HydrophobicContact CG-CB 3.79Å; K247-I305 HydrophobicContact CD-CD1 4.46Å; K247-I305 HydrophobicContact CD-CG1 4.3Å
248T98.4Very high98.1Very high32 Ų3233.2 Ų33.220%0.19616%0.164CC..Hα-helixtrans-63.7-40.4-179.6-63.30000111.4Y242 D245 C250 E251 K252Y242-T248 HydrophobicContact CD1-CG2 3.8Å; Y242-T248 HydrophobicContact CD2-CG2 3.93Å; Y242-T248 HydrophobicContact CE1-CG2 3.71Å; Y242-T248 HydrophobicContact CE2-CG2 3.86Å; Y242-T248 HydrophobicContact CG-CG2 3.9Å; D245-T248 PolarHBondContact O-N 3.39Å; D245-T248 PolarHBondContact OD1-N 3.36Å; D245-T248 VanDerWaalsContact OD2-CB 3.27Å; D245-T248 WeakPolarHBondContact OD2-CB 3.43Å; D245-T248 PolarHBondContact OD2-OG1 3.07Å; T248-C250 PolarHBondContact O-N 2.81Å; T248-E251 PolarHBondContact O-N 2.69Å; T248-K252 PolarHBondContact O-N 2.84Å
249A98.6Very high98Very high0 Ų034 Ų340%017%0.168CC..Hα-helixtrans-61.3-44.8178.300000112.4W238 T239 D245 L246 K247 T253W238-A249 HydrophobicContact CB-CB 4Å; T239-A249 HydrophobicContact CG2-CB 3.84Å; D245-A249 PolarHBondContact O-N 2.98Å; L246-A249 PolarHBondContact O-N 2.72Å; K247-A249 VanDerWaalsContact C-N 3.33Å; K247-A249 PolarHBondContact O-N 2.82Å; A249-T253 VanDerWaalsContact O-CB 3.31Å; A249-T253 WeakPolarHBondContact O-CB 3.37Å; A249-T253 PolarHBondContact O-N 3.21Å; A249-T253 PolarHBondContact O-OG1 3.29Å
250C98.6Very high98Very high0 Ų033.7 Ų33.70%017%0.166CC..Hα-helixtrans-66.5-44.3175.7-76.90000112I215 L246 K247 T248 K252 T253 F254I215-C250 HydrophobicContact CD1-CB 3.82Å; L246-C250 VanDerWaalsContact O-CB 3.24Å; L246-C250 WeakPolarHBondContact O-CB 3.27Å; L246-C250 PolarHBondContact O-N 2.65Å; L246-C250 PolarHBondContact O-SG 3.19Å; L246-C250 VanDerWaalsContact O-SG 3.38Å; K247-C250 PolarHBondContact O-N 2.93Å; T248-C250 PolarHBondContact O-N 2.81Å; C250-K252 VanDerWaalsContact C-N 3.35Å; C250-K252 PolarHBondContact O-N 3.47Å; C250-T253 PolarHBondContact O-N 2.73Å; C250-F254 HydrophobicContact CB-CD2 4.33Å; C250-F254 WeakPolarHBondContact O-CB 3.41Å; C250-F254 VanDerWaalsContact O-CD2 3.29Å; C250-F254 WeakPolarHBondContact O-CD2 3.44Å; C250-F254 PolarHBondContact O-N 3.23Å
251E98.7Very high98Very high16 Ų1631.7 Ų31.78%0.07516%0.158CC..Hα-helixtrans-59.9-44179.8-73.9177.6148.900112K247 T248 S255 I299 T301 E302 A303K247-E251 WeakPolarHBondContact CE-OE1 3.35Å; K247-E251 IonicContact NZ-OE1 2.65Å; K247-E251 PolarHBondContact NZ-OE1 2.85Å; K247-E251 IonicContact NZ-OE2 3.11Å; K247-E251 PolarHBondContact NZ-OE2 3.11Å; K247-E251 VanDerWaalsContact O-CG 3.29Å; K247-E251 WeakPolarHBondContact O-CG 3.5Å; K247-E251 PolarHBondContact O-N 2.83Å; T248-E251 PolarHBondContact O-N 2.69Å; E251-S255 WeakPolarHBondContact O-CB 3.28Å; E251-S255 PolarHBondContact O-N 2.71Å; E251-S255 PolarHBondContact O-OG 2.98Å; E251-I299 HydrophobicContact CB-CD1 4.43Å; E251-I299 HydrophobicContact CB-CG2 4.34Å; E251-T301 WeakPolarHBondContact CG-O 3.44Å; E251-E302 WeakPolarHBondContact OE1-CA 3.23Å; E251-A303 HydrophobicContact CG-CB 3.63Å; E251-A303 PolarHBondContact OE1-N 2.86Å
252K98.7Very high98Very high24 Ų2430.7 Ų30.710%0.10415%0.153CC..Hα-helixtrans-64.8-48174.3-78-175.4164.7-790111.5W238 Y242 T248 C250 F254 S255 V256 D296 P297 I299W238-K252 HydrophobicContact CD2-CB 3.77Å; W238-K252 HydrophobicContact CD2-CD 3.72Å; W238-K252 HydrophobicContact CD2-CG 4.38Å; W238-K252 HydrophobicContact CE3-CB 4.4Å; W238-K252 HydrophobicContact CE3-CD 3.45Å; W238-K252 VanDerWaalsContact CE3-CD 3.45Å; W238-K252 HydrophobicContact CG-CB 3.83Å; W238-K252 HydrophobicContact CG-CD 4.48Å; W238-K252 HydrophobicContact CH2-CD 3.93Å; W238-K252 HydrophobicContact CZ2-CB 4.42Å; W238-K252 HydrophobicContact CZ2-CD 4.15Å; W238-K252 HydrophobicContact CZ3-CD 3.57Å; Y242-K252 HydrophobicContact CE2-CD 3.83Å; T248-K252 PolarHBondContact O-N 2.84Å; C250-K252 VanDerWaalsContact C-N 3.35Å; C250-K252 PolarHBondContact O-N 3.47Å; K252-F254 PolarHBondContact O-N 2.74Å; K252-S255 PolarHBondContact O-N 3Å; K252-V256 WeakPolarHBondContact O-CG2 3.27Å; K252-V256 PolarHBondContact O-N 3.09Å; K252-D296 IonicContact NZ-OD1 2.87Å; K252-P297 HydrophobicContact CB-CG 4.11Å; K252-P297 HydrophobicContact CG-CG 4.2Å; K252-I299 HydrophobicContact CG-CD1 3.7Å
253T98.8Very high98Very high0 Ų030.8 Ų30.80%015%0.153CC..Hα-helixtrans-55.7-53.6178.2-59.80000111.7F231 M234 L235 A249 C250 S255 V256 M257F231-T253 HydrophobicContact CD2-CG2 3.56Å; F231-T253 HydrophobicContact CE2-CG2 3.44Å; F231-T253 VanDerWaalsContact CE2-CG2 3.44Å; F231-T253 HydrophobicContact CG-CG2 4.17Å; F231-T253 HydrophobicContact CZ-CG2 3.97Å; M234-T253 HydrophobicContact CB-CG2 3.89Å; L235-T253 HydrophobicContact CB-CG2 4.35Å; A249-T253 VanDerWaalsContact O-CB 3.31Å; A249-T253 WeakPolarHBondContact O-CB 3.37Å; A249-T253 PolarHBondContact O-N 3.21Å; A249-T253 PolarHBondContact O-OG1 3.29Å; C250-T253 PolarHBondContact O-N 2.73Å; T253-S255 VanDerWaalsContact C-N 3.28Å; T253-S255 PolarHBondContact O-N 3.3Å; T253-V256 WeakPolarHBondContact O-CB 3.44Å; T253-V256 PolarHBondContact O-N 2.93Å; T253-M257 WeakPolarHBondContact O-CG 3.43Å; T253-M257 PolarHBondContact O-N 3.09Å
254F98.4Very high98.2Very high11 Ų1127.5 Ų27.55%0.04813%0.132CC..Hα-helixtrans-65.9-30.3179.6-82.5-70.4000113.1S195 I215 V217 F231 C250 K252 M257 H258 T301S195-F254 WeakPolarHBondContact OG-CZ 3.29Å; I215-F254 HydrophobicContact CB-CD2 4.27Å; I215-F254 HydrophobicContact CB-CE2 4.34Å; I215-F254 HydrophobicContact CD1-CD2 4.13Å; I215-F254 HydrophobicContact CD1-CE2 3.89Å; I215-F254 HydrophobicContact CG1-CD2 4.2Å; I215-F254 HydrophobicContact CG1-CE2 4.36Å; I215-F254 HydrophobicContact CG2-CB 4.43Å; I215-F254 HydrophobicContact CG2-CD2 3.96Å; I215-F254 HydrophobicContact CG2-CE2 4.44Å; I215-F254 HydrophobicContact CG2-CG 4.1Å; V217-F254 HydrophobicContact CG2-CD1 3.4Å; V217-F254 HydrophobicContact CG2-CE1 3.69Å; V217-F254 HydrophobicContact CG2-CG 4.08Å; F231-F254 HydrophobicContact CD2-CE1 4.34Å; F231-F254 HydrophobicContact CD2-CZ 4.38Å; F231-F254 HydrophobicContact CE2-CD1 4.13Å; F231-F254 HydrophobicContact CE2-CD2 4.11Å; F231-F254 AromaticContact CE2-CE1 3.65Å; F231-F254 HydrophobicContact CE2-CE1 3.65Å; F231-F254 AromaticContact CE2-CE2 3.6Å; F231-F254 HydrophobicContact CE2-CE2 3.6Å; F231-F254 HydrophobicContact CE2-CG 4.35Å; F231-F254 AromaticContact CE2-CZ 3.34Å; F231-F254 HydrophobicContact CE2-CZ 3.34Å; F231-F254 HydrophobicContact CZ-CE1 4.48Å; F231-F254 AromaticContact CZ-CE2 3.84Å; F231-F254 HydrophobicContact CZ-CE2 3.84Å; F231-F254 AromaticContact CZ-CZ 3.75Å; F231-F254 HydrophobicContact CZ-CZ 3.75Å; C250-F254 HydrophobicContact CB-CD2 4.33Å; C250-F254 WeakPolarHBondContact O-CB 3.41Å; C250-F254 VanDerWaalsContact O-CD2 3.29Å; C250-F254 WeakPolarHBondContact O-CD2 3.44Å; C250-F254 PolarHBondContact O-N 3.23Å; K252-F254 PolarHBondContact O-N 2.74Å; F254-M257 PolarHBondContact O-N 3.47Å; F254-H258 WeakPolarHBondContact O-CB 3.2Å; F254-H258 PolarHBondContact O-N 3.18Å; F254-T301 HydrophobicContact CB-CG2 4.32Å
255S98.5Very high98.3Very high0 Ų022.6 Ų22.60%011%0.105CC..Hα-helixtrans-68.6-41.6173.6-61.90000111.8E251 K252 T253 M257 H258 H259 A298 I299 V300E251-S255 WeakPolarHBondContact O-CB 3.28Å; E251-S255 PolarHBondContact O-N 2.71Å; E251-S255 PolarHBondContact O-OG 2.98Å; K252-S255 PolarHBondContact O-N 3Å; T253-S255 VanDerWaalsContact C-N 3.28Å; T253-S255 PolarHBondContact O-N 3.3Å; S255-M257 VanDerWaalsContact C-N 3.33Å; S255-M257 PolarHBondContact O-N 3.46Å; S255-H258 PolarHBondContact O-N 3.27Å; S255-H259 PolarHBondContact O-CD2 3.01Å; S255-H259 PolarHBondContact O-N 3.44Å; S255-A298 WeakPolarHBondContact CB-O 3.44Å; S255-I299 WeakPolarHBondContact OG-CA 3.11Å; S255-V300 PolarHBondContact OG-N 3.45Å; S255-V300 VanDerWaalsContact OG-N 3.09Å
256V98.6Very high98.3Very high0 Ų023.2 Ų23.20%011%0.114CC..Hα-helixtrans-56.6-49.5170.4177.10000110.1M234 K252 T253 H258 H259 V260 I294 P297M234-V256 HydrophobicContact CG-CB 4.42Å; M234-V256 HydrophobicContact CG-CG1 4.04Å; M234-V256 HydrophobicContact SD-CG1 4.11Å; M234-V256 HydrophobicContact SD-CG2 4.32Å; K252-V256 WeakPolarHBondContact O-CG2 3.27Å; K252-V256 PolarHBondContact O-N 3.09Å; T253-V256 WeakPolarHBondContact O-CB 3.44Å; T253-V256 PolarHBondContact O-N 2.93Å; V256-H258 VanDerWaalsContact C-N 3.31Å; V256-H258 PolarHBondContact O-N 2.95Å; V256-H259 PolarHBondContact O-N 3.06Å; V256-V260 HydrophobicContact CG1-CG2 4.05Å; V256-V260 WeakPolarHBondContact O-CB 3.43Å; V256-V260 VanDerWaalsContact O-CG2 3.27Å; V256-V260 WeakPolarHBondContact O-CG2 3.37Å; V256-V260 PolarHBondContact O-N 3.33Å; V256-I294 HydrophobicContact CG1-CG1 3.78Å; V256-P297 HydrophobicContact CG2-CB 3.78Å; V256-P297 HydrophobicContact CG2-CG 3.71Å
257M98.3Very high98.2Very high13 Ų1327 Ų276%0.06413%0.128CC..Hα-helixtrans-56.7-46.6179-65.5-53-66.700111.6T227 L230 F231 T253 F254 S255 I261T227-M257 HydrophobicContact CG2-CE 3.95Å; T227-M257 WeakPolarHBondContact O-CE 3.21Å; L230-M257 HydrophobicContact CB-SD 4.17Å; L230-M257 HydrophobicContact CD2-CE 4.22Å; L230-M257 HydrophobicContact CD2-SD 3.63Å; L230-M257 HydrophobicContact CG-SD 3.64Å; F231-M257 HydrophobicContact CB-CE 4.39Å; F231-M257 HydrophobicContact CB-SD 4.14Å; F231-M257 HydrophobicContact CD2-CG 3.97Å; F231-M257 HydrophobicContact CD2-SD 4.49Å; T253-M257 WeakPolarHBondContact O-CG 3.43Å; T253-M257 PolarHBondContact O-N 3.09Å; F254-M257 PolarHBondContact O-N 3.47Å; S255-M257 VanDerWaalsContact C-N 3.33Å; S255-M257 PolarHBondContact O-N 3.46Å; M257-I261 HydrophobicContact CB-CD1 4.48Å; M257-I261 HydrophobicContact CE-CD1 4.31Å; M257-I261 VanDerWaalsContact O-CB 3.26Å; M257-I261 WeakPolarHBondContact O-CB 3.49Å; M257-I261 WeakPolarHBondContact O-CD1 3.48Å; M257-I261 WeakPolarHBondContact O-CG1 3.14Å; M257-I261 PolarHBondContact O-N 3.35Å
258H97.6Very high98.2Very high42 Ų4224.2 Ų24.219%0.19412%0.116CC..Hα-helixtrans-56.8-53.8177.5179.393.1000111.4F254 S255 V256 V260 I261 Q262 V300F254-H258 WeakPolarHBondContact O-CB 3.2Å; F254-H258 PolarHBondContact O-N 3.18Å; S255-H258 PolarHBondContact O-N 3.27Å; V256-H258 VanDerWaalsContact C-N 3.31Å; V256-H258 PolarHBondContact O-N 2.95Å; H258-V260 PolarHBondContact O-N 2.87Å; H258-I261 PolarHBondContact O-N 2.63Å; H258-Q262 WeakPolarHBondContact NE2-CG 3.25Å; H258-Q262 WeakPolarHBondContact O-CB 3.26Å; H258-Q262 VanDerWaalsContact O-CG 3.27Å; H258-Q262 WeakPolarHBondContact O-CG 3.33Å; H258-Q262 PolarHBondContact O-N 2.98Å; H258-V300 HydrophobicContact CB-CG2 3.77Å
259H98.3Very high98.1Very high32 Ų3227 Ų2715%0.14813%0.127CC..Hα-helixtrans-62.3-44.1-176.6-65.7-46.7000112.3S255 V256 R263 D293 A298S255-H259 PolarHBondContact O-CD2 3.01Å; S255-H259 PolarHBondContact O-N 3.44Å; V256-H259 PolarHBondContact O-N 3.06Å; H259-R263 WeakPolarHBondContact O-CB 3.3Å; H259-R263 PolarHBondContact O-N 3.45Å; H259-D293 HydrophobicContact CB-CB 3.72Å; H259-A298 PolarHBondContact NE2-O 2.95Å
260V98.6Very high98Very high0 Ų034.3 Ų34.30%016%0.161CC..Hα-helixtrans-62.9-47177.71750000110.7L230 V256 H258 T264 L285 I294L230-V260 HydrophobicContact CD2-CB 4.27Å; L230-V260 HydrophobicContact CD2-CG1 4.02Å; L230-V260 HydrophobicContact CD2-CG2 4.16Å; V256-V260 HydrophobicContact CG1-CG2 4.05Å; V256-V260 WeakPolarHBondContact O-CB 3.43Å; V256-V260 VanDerWaalsContact O-CG2 3.27Å; V256-V260 WeakPolarHBondContact O-CG2 3.37Å; V256-V260 PolarHBondContact O-N 3.33Å; H258-V260 PolarHBondContact O-N 2.87Å; V260-T264 VanDerWaalsContact O-CB 3.3Å; V260-T264 WeakPolarHBondContact O-CB 3.46Å; V260-T264 PolarHBondContact O-N 3.33Å; V260-T264 PolarHBondContact O-OG1 3.01Å; V260-L285 HydrophobicContact CG1-CB 4.27Å; V260-L285 HydrophobicContact CG1-CD2 4.33Å; V260-I294 HydrophobicContact CG2-CG1 4.46Å
261I98Very high97.9Very high31 Ų3138.4 Ų38.416%0.15918%0.183CC..Hα-helixtrans-66.6-44.9-178.7-68.6169000110.6V220 F224 T227 M257 H258 T264 I265V220-I261 HydrophobicContact CB-CG2 4Å; V220-I261 HydrophobicContact CG1-CG2 4.19Å; V220-I261 HydrophobicContact CG2-CG2 3.62Å; F224-I261 HydrophobicContact CD2-CG2 4.33Å; F224-I261 HydrophobicContact CE1-CG2 4.42Å; F224-I261 HydrophobicContact CE2-CG2 3.71Å; F224-I261 HydrophobicContact CZ-CG2 3.77Å; T227-I261 HydrophobicContact CG2-CD1 4.26Å; T227-I261 HydrophobicContact CG2-CG1 4.38Å; M257-I261 HydrophobicContact CB-CD1 4.48Å; M257-I261 HydrophobicContact CE-CD1 4.31Å; M257-I261 VanDerWaalsContact O-CB 3.26Å; M257-I261 WeakPolarHBondContact O-CB 3.49Å; M257-I261 WeakPolarHBondContact O-CD1 3.48Å; M257-I261 WeakPolarHBondContact O-CG1 3.14Å; M257-I261 PolarHBondContact O-N 3.35Å; H258-I261 PolarHBondContact O-N 2.63Å; I261-T264 WeakPolarHBondContact O-CB 3.17Å; I261-T264 PolarHBondContact O-N 3.26Å; I261-T264 VanDerWaalsContact O-N 3.15Å; I261-I265 WeakPolarHBondContact O-CG2 3.3Å; I261-I265 PolarHBondContact O-N 3.28Å
262Q97.9Very high97.8Very high67 Ų6738.1 Ų38.131%0.31318%0.183SC..Hα-helixtrans-60.8-47.2178.2-72.6-55.7-43.800111.4H258 T264 I265 S266H258-Q262 WeakPolarHBondContact NE2-CG 3.25Å; H258-Q262 WeakPolarHBondContact O-CB 3.26Å; H258-Q262 VanDerWaalsContact O-CG 3.27Å; H258-Q262 WeakPolarHBondContact O-CG 3.33Å; H258-Q262 PolarHBondContact O-N 2.98Å; Q262-T264 PolarHBondContact O-N 3.37Å; Q262-I265 WeakPolarHBondContact O-CG2 3.44Å; Q262-I265 PolarHBondContact O-N 3.45Å; Q262-S266 WeakPolarHBondContact O-CB 3.44Å; Q262-S266 PolarHBondContact O-N 2.81Å; Q262-S266 PolarHBondContact O-OG 3.44Å; Q262-S266 VanDerWaalsContact O-OG 3.08Å
263R98.4Very high97.6Very high86 Ų8638.1 Ų38.133%0.32519%0.189SC..Hα-helixtrans-59.5-39.9174.8-177175.3-69104.20.2111.8H259 Y267 R286 Q289 S290 D293H259-R263 WeakPolarHBondContact O-CB 3.3Å; H259-R263 PolarHBondContact O-N 3.45Å; R263-Y267 WeakPolarHBondContact O-CB 2.99Å; R263-Y267 PolarHBondContact O-N 2.96Å; R263-R286 HydrophobicContact CG-CB 3.95Å; R263-R286 HydrophobicContact CG-CG 4.36Å; R263-Q289 PolarHBondContact NE-O 3.08Å; R263-S290 VanDerWaalsContact NH1-CA 3.28Å; R263-S290 PolarHBondContact NH1-OG 3Å; R263-D293 IonicContact CZ-OD2 3.26Å; R263-D293 IonicContact NH1-OD2 2.66Å; R263-D293 PolarHBondContact NH1-OD2 3.07Å; R263-D293 IonicContact NH2-OD2 2.72Å; R263-D293 PolarHBondContact NH2-OD2 2.97Å
264T98.4Very high97.3Very high0 Ų044.5 Ų44.50%023%0.231CC..Hα-helixtrans-65.9-49.4179.7-56.70000111.5F224 V260 I261 Q262 Y267 A268 L283 E284 R286F224-T264 HydrophobicContact CD1-CG2 4.14Å; F224-T264 HydrophobicContact CE1-CG2 3.77Å; V260-T264 VanDerWaalsContact O-CB 3.3Å; V260-T264 WeakPolarHBondContact O-CB 3.46Å; V260-T264 PolarHBondContact O-N 3.33Å; V260-T264 PolarHBondContact O-OG1 3.01Å; I261-T264 WeakPolarHBondContact O-CB 3.17Å; I261-T264 PolarHBondContact O-N 3.26Å; I261-T264 VanDerWaalsContact O-N 3.15Å; Q262-T264 PolarHBondContact O-N 3.37Å; T264-Y267 PolarHBondContact O-N 3.22Å; T264-A268 WeakPolarHBondContact O-CB 3.47Å; T264-A268 PolarHBondContact O-N 3.21Å; T264-L283 WeakPolarHBondContact CG2-O 3.21Å; T264-E284 WeakPolarHBondContact CG2-O 3.48Å; T264-R286 HydrophobicContact CG2-CG 4.33Å; T264-R286 PolarHBondContact OG1-N 3.42Å
265I97.4Very high96.9Very high13 Ų1348.5 Ų48.57%0.06728%0.275CS..Hα-helixtrans-69-37.7-177-164.956.6000112.5V220 A222 F224 I261 Q262 A268 H269 P278 L283V220-I265 HydrophobicContact CG1-CB 3.92Å; V220-I265 HydrophobicContact CG1-CD1 4.27Å; V220-I265 HydrophobicContact CG1-CG1 3.69Å; V220-I265 HydrophobicContact CG1-CG2 4.04Å; A222-I265 HydrophobicContact CB-CD1 3.7Å; F224-I265 HydrophobicContact CZ-CB 4.12Å; F224-I265 HydrophobicContact CZ-CD1 4.22Å; I261-I265 WeakPolarHBondContact O-CG2 3.3Å; I261-I265 PolarHBondContact O-N 3.28Å; Q262-I265 WeakPolarHBondContact O-CG2 3.44Å; Q262-I265 PolarHBondContact O-N 3.45Å; I265-A268 PolarHBondContact O-N 2.86Å; I265-H269 PolarHBondContact O-CD2 3.33Å; I265-H269 PolarHBondContact O-N 2.9Å; I265-P278 HydrophobicContact CD1-CG 4.49Å; I265-L283 HydrophobicContact CD1-CD2 3.85Å
266S96.9Very high96.7Very high63 Ų6357.1 Ų57.144%0.44131%0.308SS..Hα-helixtrans-59.7-50.8174.3-62.80000111.1Q262 A268 H269 E270Q262-S266 WeakPolarHBondContact O-CB 3.44Å; Q262-S266 PolarHBondContact O-N 2.81Å; Q262-S266 PolarHBondContact O-OG 3.44Å; Q262-S266 VanDerWaalsContact O-OG 3.08Å; S266-A268 VanDerWaalsContact C-N 3.33Å; S266-A268 PolarHBondContact O-N 3.16Å; S266-H269 PolarHBondContact O-N 3.4Å; S266-E270 WeakPolarHBondContact O-CG 3.44Å; S266-E270 PolarHBondContact O-N 2.65Å; S266-E270 VanDerWaalsContact O-N 3.1Å
267Y97.4Very high96.5Very high78 Ų7867.2 Ų67.231%0.30635%0.346SS..Hα-helixtrans-61.8-40.9177.2179.3-103.3000112.5R263 T264 H269 E270 L271 R286R263-Y267 WeakPolarHBondContact O-CB 2.99Å; R263-Y267 PolarHBondContact O-N 2.96Å; T264-Y267 PolarHBondContact O-N 3.22Å; Y267-H269 PolarHBondContact O-N 3.06Å; Y267-E270 PolarHBondContact O-N 2.92Å; Y267-L271 HydrophobicContact CD1-CD1 3.97Å; Y267-L271 HydrophobicContact CD1-CG 4.44Å; Y267-L271 HydrophobicContact CE1-CD1 3.28Å; Y267-L271 HydrophobicContact CE1-CG 4.02Å; Y267-L271 HydrophobicContact CE2-CD1 4.37Å; Y267-L271 HydrophobicContact CE2-CG 4.33Å; Y267-L271 WeakPolarHBondContact O-CG 3.35Å; Y267-L271 PolarHBondContact O-N 3.32Å; Y267-L271 VanDerWaalsContact O-N 3.07Å; Y267-R286 HydrophobicContact CD1-CG 4.39Å
268A97.5Very high96.4Very high0 Ų067.6 Ų67.60%035%0.349CS..Hα-helixtrans-64.5-40.6-179.700000111.9T264 I265 S266 L271 A272 P278 Q282 L283T264-A268 WeakPolarHBondContact O-CB 3.47Å; T264-A268 PolarHBondContact O-N 3.21Å; I265-A268 PolarHBondContact O-N 2.86Å; S266-A268 VanDerWaalsContact C-N 3.33Å; S266-A268 PolarHBondContact O-N 3.16Å; A268-L271 PolarHBondContact O-N 2.94Å; A268-A272 WeakPolarHBondContact O-CB 3.41Å; A268-A272 PolarHBondContact O-N 3.09Å; A268-P278 HydrophobicContact CB-CB 3.72Å; A268-P278 HydrophobicContact CB-CG 3.83Å; A268-Q282 HydrophobicContact CB-CB 4.37Å; A268-Q282 VanDerWaalsContact CB-O 3.26Å; A268-Q282 WeakPolarHBondContact CB-O 3.26Å; A268-L283 HydrophobicContact CB-CD2 3.75Å; A268-L283 HydrophobicContact CB-CG 4.42Å
269H96.9Very high96.3Very high92 Ų9267.7 Ų67.743%0.42636%0.355SS..Hα-helixtrans-67-41175.1-80-55.1000112.8I265 S266 Y267 L271 A272 G273I265-H269 PolarHBondContact O-CD2 3.33Å; I265-H269 PolarHBondContact O-N 2.9Å; S266-H269 PolarHBondContact O-N 3.4Å; Y267-H269 PolarHBondContact O-N 3.06Å; H269-L271 VanDerWaalsContact C-N 3.29Å; H269-L271 PolarHBondContact O-N 2.87Å; H269-A272 PolarHBondContact O-N 2.82Å; H269-G273 PolarHBondContact O-N 3.13Å
270E96.5Very high96.2Very high153 Ų15368.6 Ų68.672%0.71536%0.364SS*.Hα-helixtrans-57.9-43174.4-73.3174.6-175.300111.4S266 Y267S266-E270 WeakPolarHBondContact O-CG 3.44Å; S266-E270 PolarHBondContact O-N 2.65Å; S266-E270 VanDerWaalsContact O-N 3.1Å; Y267-E270 PolarHBondContact O-N 2.92Å
271L96.1Very high96.2Very high86 Ų8670.9 Ų70.945%0.4538%0.378SS..Hα-helixtrans-71.5-37.3176.9-72-174000113.8Y267 A268 H269 G273 Q282Y267-L271 HydrophobicContact CD1-CD1 3.97Å; Y267-L271 HydrophobicContact CD1-CG 4.44Å; Y267-L271 HydrophobicContact CE1-CD1 3.28Å; Y267-L271 HydrophobicContact CE1-CG 4.02Å; Y267-L271 HydrophobicContact CE2-CD1 4.37Å; Y267-L271 HydrophobicContact CE2-CG 4.33Å; Y267-L271 WeakPolarHBondContact O-CG 3.35Å; Y267-L271 PolarHBondContact O-N 3.32Å; Y267-L271 VanDerWaalsContact O-N 3.07Å; A268-L271 PolarHBondContact O-N 2.94Å; H269-L271 VanDerWaalsContact C-N 3.29Å; H269-L271 PolarHBondContact O-N 2.87Å; L271-G273 VanDerWaalsContact C-N 3.31Å; L271-Q282 HydrophobicContact CB-CG 4.19Å; L271-Q282 HydrophobicContact CD1-CG 4.19Å; L271-Q282 PolarHBondContact O-NE2 2.85Å
272A96.3Very high96.2Very high10 Ų1071.6 Ų71.68%0.08338%0.381CS..Hα-helixtrans-69.2-35-179.900000111.4A268 H269 R276 P278A268-A272 WeakPolarHBondContact O-CB 3.41Å; A268-A272 PolarHBondContact O-N 3.09Å; H269-A272 PolarHBondContact O-N 2.82Å; A272-R276 HydrophobicContact CB-CB 4.17Å; A272-R276 WeakPolarHBondContact O-CD 3.33Å; A272-P278 HydrophobicContact CB-CB 4.33Å; A272-P278 HydrophobicContact CB-CG 4.12Å
273G94.8Very high96.2Very high23 Ų2369.1 Ų69.124%0.23737%0.37CS..  trans85169.5-174.200000113H269 L271 G275 R276H269-G273 PolarHBondContact O-N 3.13Å; L271-G273 VanDerWaalsContact C-N 3.31Å; G273-G275 PolarHBondContact O-N 2.79Å; G273-R276 PolarHBondContact O-N 3.3Å
274P92.4Very high96.2Very high135 Ų13566 Ų6688%0.87736%0.359SS*.THydrogen-bonded Turntrans-57.7133.4-172.5-24.934.2000113.5R276P274-R276 PolarHBondContact O-N 2.91Å
275G90.3Very high96.2Very high95 Ų9566 Ų6698%0.97936%0.359SS*.THydrogen-bonded Turntrans72.74.2175.500000115.6G273G273-G275 PolarHBondContact O-N 2.79Å
276R93.6Very high96.2Very high181 Ų18168.1 Ų68.168%0.68337%0.366SS*.PPolyproline II helixtrans-103.8137179.2-67.5175.2175.5-176.63.7110.8A272 G273 P274A272-R276 HydrophobicContact CB-CB 4.17Å; A272-R276 WeakPolarHBondContact O-CD 3.33Å; G273-R276 PolarHBondContact O-N 3.3Å; P274-R276 PolarHBondContact O-N 2.91Å
277R94.3Very high96.3Very high211 Ų21165.1 Ų65.180%0.79635%0.345SS*.PPolyproline II helixtrans-73.7131170.3-72.2-172.5173.3-166.2-6.9109.2
278P96.8Very high96.4Very high21 Ų2165.1 Ų65.114%0.13635%0.353CS..PPolyproline II helixtrans-60.9142.4175-23.634.4000112.5I265 A268 A272 Q282 L283I265-P278 HydrophobicContact CD1-CG 4.49Å; A268-P278 HydrophobicContact CB-CB 3.72Å; A268-P278 HydrophobicContact CB-CG 3.83Å; A272-P278 HydrophobicContact CB-CB 4.33Å; A272-P278 HydrophobicContact CB-CG 4.12Å; P278-Q282 HydrophobicContact CB-CB 4.24Å; P278-L283 HydrophobicContact CB-CD1 4.31Å; P278-L283 HydrophobicContact CB-CD2 3.91Å; P278-L283 HydrophobicContact CB-CG 3.85Å; P278-L283 HydrophobicContact CG-CD2 4.37Å
279S96.5Very high96.4Very high44 Ų4469.3 Ų69.331%0.30837%0.373SS..PPolyproline II helixtrans-80.8161174.264.30000111.6P281 Q282 L283S279-P281 VanDerWaalsContact C-N 3.34Å; S279-Q282 WeakPolarHBondContact O-CA 3.44Å; S279-Q282 WeakPolarHBondContact O-CB 3.49Å; S279-Q282 PolarHBondContact O-N 2.85Å; S279-Q282 PolarHBondContact OG-OE1 3.4Å; S279-L283 PolarHBondContact O-N 2.65Å; S279-L283 VanDerWaalsContact O-N 3.13Å
280P96.2Very high96.5Very high52 Ų5264.9 Ų64.934%0.33835%0.352SS..G310 helixtrans-49.8-44.5176.2-24.431.9000114.3G46 Q282 L283 E284G46-P280 WeakPolarHBondContact O-CG 3.5Å; P280-Q282 PolarHBondContact O-N 2.87Å; P280-Q282 VanDerWaalsContact O-N 3.16Å; P280-L283 PolarHBondContact O-N 3.42Å; P280-E284 PolarHBondContact O-N 2.91Å
281P97.1Very high96.6Very high47 Ų4761.9 Ų61.931%0.30534%0.337SS..G310 helixtrans-62.2-22.3175.6-2.40.6000116.5Y47 S279Y47-P281 HydrophobicContact CD1-CG 3.98Å; Y47-P281 HydrophobicContact CE1-CB 3.52Å; Y47-P281 HydrophobicContact CE1-CG 3.41Å; Y47-P281 VanDerWaalsContact CE1-CG 3.41Å; Y47-P281 VanDerWaalsContact OH-CA 3.25Å; Y47-P281 WeakPolarHBondContact OH-CA 3.41Å; Y47-P281 WeakPolarHBondContact OH-CB 3.4Å; S279-P281 VanDerWaalsContact C-N 3.34Å
282Q97.8Very high96.7Very high46 Ų4660.9 Ų60.922%0.21534%0.341CS..G310 helixtrans-87.6-22.5176.9-67.4166-48.400111.7A268 L271 P278 S279 P280 E284A268-Q282 HydrophobicContact CB-CB 4.37Å; A268-Q282 VanDerWaalsContact CB-O 3.26Å; A268-Q282 WeakPolarHBondContact CB-O 3.26Å; L271-Q282 HydrophobicContact CB-CG 4.19Å; L271-Q282 HydrophobicContact CD1-CG 4.19Å; L271-Q282 PolarHBondContact O-NE2 2.85Å; P278-Q282 HydrophobicContact CB-CB 4.24Å; S279-Q282 WeakPolarHBondContact O-CA 3.44Å; S279-Q282 WeakPolarHBondContact O-CB 3.49Å; S279-Q282 PolarHBondContact O-N 2.85Å; S279-Q282 PolarHBondContact OG-OE1 3.4Å; P280-Q282 PolarHBondContact O-N 2.87Å; P280-Q282 VanDerWaalsContact O-N 3.16Å; Q282-E284 VanDerWaalsContact C-N 3.34Å
283L97.9Very high96.8Very high16 Ų1661.9 Ų61.98%0.08435%0.345CS..SBendtrans-89.75.3178.7-69.8169.5000113.8A222 F224 T264 I265 A268 P278 S279 P280 L285A222-L283 HydrophobicContact CB-CD1 4.29Å; A222-L283 HydrophobicContact CB-CD2 3.94Å; F224-L283 HydrophobicContact CD1-CB 4.48Å; F224-L283 HydrophobicContact CD1-CD2 4.42Å; F224-L283 HydrophobicContact CE1-CD2 3.79Å; F224-L283 HydrophobicContact CZ-CD2 4.25Å; T264-L283 WeakPolarHBondContact CG2-O 3.21Å; I265-L283 HydrophobicContact CD1-CD2 3.85Å; A268-L283 HydrophobicContact CB-CD2 3.75Å; A268-L283 HydrophobicContact CB-CG 4.42Å; P278-L283 HydrophobicContact CB-CD1 4.31Å; P278-L283 HydrophobicContact CB-CD2 3.91Å; P278-L283 HydrophobicContact CB-CG 3.85Å; P278-L283 HydrophobicContact CG-CD2 4.37Å; S279-L283 PolarHBondContact O-N 2.65Å; S279-L283 VanDerWaalsContact O-N 3.13Å; P280-L283 PolarHBondContact O-N 3.42Å; L283-L285 PolarHBondContact O-N 2.83Å
284E98.4Very high97Very high19 Ų1960.8 Ų60.89%0.08933%0.334CS..SBendtrans-56.5129172.4-73.3-70.1-170.200110.9G15 Y16 H44 Y47 T264 P280 Q282 R286G15-E284 WeakPolarHBondContact CA-OE1 3.43Å; G15-E284 WeakPolarHBondContact CA-OE2 3.5Å; Y16-E284 PolarHBondContact N-OE2 3.17Å; H44-E284 IonicContact CD2-OE1 2.73Å; H44-E284 PolarHBondContact CD2-OE1 3.19Å; H44-E284 VanDerWaalsContact CD2-OE1 3.26Å; H44-E284 IonicContact NE2-OE1 3.21Å; Y47-E284 VanDerWaalsContact CE2-OE1 3.3Å; Y47-E284 WeakPolarHBondContact CE2-OE1 3.27Å; Y47-E284 PolarHBondContact OH-OE1 2.98Å; Y47-E284 VanDerWaalsContact OH-OE1 3.07Å; T264-E284 WeakPolarHBondContact CG2-O 3.48Å; P280-E284 PolarHBondContact O-N 2.91Å; Q282-E284 VanDerWaalsContact C-N 3.34Å; E284-R286 PolarHBondContact O-N 2.66Å
285L98.6Very high97.3Very high2 Ų258.1 Ų58.11%0.0131%0.309CS..  trans-54.3133.8-174.3-59.8179.4000110.9Y16 F224 T227 L230 V260 L283 M287Y16-L285 WeakPolarHBondContact CD2-O 3.35Å; Y16-L285 WeakPolarHBondContact CE2-O 3.33Å; F224-L285 HydrophobicContact CB-CD2 4.47Å; F224-L285 HydrophobicContact CD1-CD2 4.21Å; T227-L285 HydrophobicContact CG2-CD2 4.1Å; L230-L285 HydrophobicContact CD2-CD1 4.42Å; V260-L285 HydrophobicContact CG1-CB 4.27Å; V260-L285 HydrophobicContact CG1-CD2 4.33Å; L283-L285 PolarHBondContact O-N 2.83Å; L285-M287 HydrophobicContact CB-CE 4.33Å; L285-M287 HydrophobicContact CD1-CE 4.03Å; L285-M287 PolarHBondContact O-N 3.32Å
286R98.6Very high97.7Very high57 Ų5759.1 Ų59.122%0.21529%0.292CS..  trans-80.858.3179.3-61.7-60.9-65.2-174.5-6.9111.2R263 T264 Y267 E284 Q289 S290R263-R286 HydrophobicContact CG-CB 3.95Å; R263-R286 HydrophobicContact CG-CG 4.36Å; T264-R286 HydrophobicContact CG2-CG 4.33Å; T264-R286 PolarHBondContact OG1-N 3.42Å; Y267-R286 HydrophobicContact CD1-CG 4.39Å; E284-R286 PolarHBondContact O-N 2.66Å; R286-Q289 VanDerWaalsContact C-OE1 3.29Å; R286-Q289 HydrophobicContact CB-CB 4.4Å; R286-Q289 PolarHBondContact O-N 3.15Å; R286-Q289 PolarHBondContact O-OE1 3.03Å; R286-S290 WeakPolarHBondContact O-CB 3.36Å; R286-S290 PolarHBondContact O-N 2.84Å; R286-S290 VanDerWaalsContact O-N 3.09Å; R286-S290 PolarHBondContact O-OG 3.33Å
287M98.5Very high97.9Very high0 Ų050.6 Ų50.60%026%0.26CS..THydrogen-bonded Turntrans-61.8-58.2-167.8-163.46672.700112.7Y16 S21 F24 P25 L230 L285 Q289 S290 K291 I294Y16-M287 HydrophobicContact CD1-CB 3.54Å; Y16-M287 HydrophobicContact CD1-CE 4.4Å; Y16-M287 HydrophobicContact CD1-CG 3.97Å; Y16-M287 HydrophobicContact CD2-CB 4.16Å; Y16-M287 HydrophobicContact CE1-CB 3.44Å; Y16-M287 VanDerWaalsContact CE1-CB 3.44Å; Y16-M287 HydrophobicContact CE1-CG 4.02Å; Y16-M287 HydrophobicContact CE2-CB 4.05Å; Y16-M287 HydrophobicContact CG-CB 3.91Å; S21-M287 WeakPolarHBondContact OG-CE 3.23Å; F24-M287 HydrophobicContact CD1-CG 3.53Å; F24-M287 HydrophobicContact CD1-SD 4.47Å; F24-M287 HydrophobicContact CE1-CG 4.09Å; F24-M287 HydrophobicContact CG-CG 4.34Å; P25-M287 HydrophobicContact CG-CE 4.42Å; P25-M287 HydrophobicContact CG-CG 4.49Å; P25-M287 HydrophobicContact CG-SD 3.67Å; L230-M287 HydrophobicContact CB-CE 4.47Å; L230-M287 HydrophobicContact CD1-CE 4.01Å; L230-M287 HydrophobicContact CD1-SD 3.99Å; L230-M287 HydrophobicContact CD2-CE 4.11Å; L230-M287 HydrophobicContact CD2-SD 4.43Å; L230-M287 HydrophobicContact CG-CE 4.42Å; L285-M287 HydrophobicContact CB-CE 4.33Å; L285-M287 HydrophobicContact CD1-CE 4.03Å; L285-M287 PolarHBondContact O-N 3.32Å; M287-Q289 VanDerWaalsContact C-N 3.26Å; M287-Q289 PolarHBondContact O-N 3.32Å; M287-S290 CarbonylContact O-C 3.3Å; M287-S290 WeakPolarHBondContact O-CA 3.49Å; M287-S290 WeakPolarHBondContact O-CB 3.47Å; M287-S290 PolarHBondContact O-N 2.87Å; M287-K291 PolarHBondContact O-N 2.84Å; M287-I294 HydrophobicContact CG-CD1 4.47Å; M287-I294 HydrophobicContact SD-CD1 3.78Å
288V98.7Very high98Very high77 Ų7743.6 Ų43.647%0.46725%0.247SC..G310 helixtrans-60.1-38.5-179.3173.30000111.6Y16 F24 S290 K291Y16-V288 WeakPolarHBondContact OH-CG2 3.44Å; F24-V288 HydrophobicContact CE2-CG2 4.45Å; F24-V288 HydrophobicContact CZ-CG2 4.42Å; V288-S290 PolarHBondContact O-N 3.37Å; V288-K291 WeakPolarHBondContact O-CB 3.36Å; V288-K291 PolarHBondContact O-N 3.41Å
289Q98.8Very high98.1Very high88 Ų8846.6 Ų46.641%0.41126%0.262SS..G310 helixtrans-72.2-13.5179-58.477.619.600112.7R263 R286 M287R263-Q289 PolarHBondContact NE-O 3.08Å; R286-Q289 VanDerWaalsContact C-OE1 3.29Å; R286-Q289 HydrophobicContact CB-CB 4.4Å; R286-Q289 PolarHBondContact O-N 3.15Å; R286-Q289 PolarHBondContact O-OE1 3.03Å; M287-Q289 VanDerWaalsContact C-N 3.26Å; M287-Q289 PolarHBondContact O-N 3.32Å
290S98.8Very high98.1Very high0 Ų047.9 Ų47.90%027%0.267CS..G310 helixtrans-101.311.3177.8-50.90000113R263 R286 M287 V288 A292 D293 I294R263-S290 VanDerWaalsContact NH1-CA 3.28Å; R263-S290 PolarHBondContact NH1-OG 3Å; R286-S290 WeakPolarHBondContact O-CB 3.36Å; R286-S290 PolarHBondContact O-N 2.84Å; R286-S290 VanDerWaalsContact O-N 3.09Å; R286-S290 PolarHBondContact O-OG 3.33Å; M287-S290 CarbonylContact O-C 3.3Å; M287-S290 WeakPolarHBondContact O-CA 3.49Å; M287-S290 WeakPolarHBondContact O-CB 3.47Å; M287-S290 PolarHBondContact O-N 2.87Å; V288-S290 PolarHBondContact O-N 3.37Å; S290-A292 VanDerWaalsContact C-N 3.31Å; S290-A292 PolarHBondContact O-N 2.91Å; S290-D293 PolarHBondContact O-N 2.75Å; S290-I294 WeakPolarHBondContact O-CG1 3.5Å; S290-I294 PolarHBondContact O-N 3.33Å
291K98.8Very high97.8Very high90 Ų9045.7 Ų45.739%0.39125%0.253SS..Hα-helixtrans-48.8-48.9-178.3-169.4-176.679.984.40113F24 V28 M287 V288 D293 I294 E295F24-K291 HydrophobicContact CE1-CB 4.41Å; F24-K291 HydrophobicContact CE1-CG 4.49Å; F24-K291 HydrophobicContact CZ-CB 4.03Å; F24-K291 HydrophobicContact CZ-CD 4.26Å; F24-K291 HydrophobicContact CZ-CG 3.91Å; V28-K291 HydrophobicContact CG1-CG 3.9Å; V28-K291 HydrophobicContact CG2-CG 4.08Å; M287-K291 PolarHBondContact O-N 2.84Å; V288-K291 WeakPolarHBondContact O-CB 3.36Å; V288-K291 PolarHBondContact O-N 3.41Å; K291-D293 PolarHBondContact O-N 3.43Å; K291-I294 WeakPolarHBondContact O-CB 3.33Å; K291-I294 PolarHBondContact O-N 3.37Å; K291-E295 IonicContact NZ-OE1 3.55Å; K291-E295 PolarHBondContact NZ-OE1 2.87Å; K291-E295 IonicContact NZ-OE2 3.61Å; K291-E295 PolarHBondContact NZ-OE2 3.29Å; K291-E295 WeakPolarHBondContact O-CG 3.33Å; K291-E295 PolarHBondContact O-N 2.96Å
292A98.6Very high97.7Very high64 Ų6451.1 Ų51.153%0.52927%0.274SS..Hα-helixtrans-64.2-39.2-178.800000112.6S290 I294 E295 D296S290-A292 VanDerWaalsContact C-N 3.31Å; S290-A292 PolarHBondContact O-N 2.91Å; A292-I294 VanDerWaalsContact C-N 3.28Å; A292-I294 PolarHBondContact O-N 3.1Å; A292-E295 PolarHBondContact O-N 3.49Å; A292-D296 PolarHBondContact O-N 3.4Å
293D98.6Very high97.6Very high32 Ų3249.2 Ų49.217%0.17127%0.266CS..Hα-helixtrans-73.6-23.1177.5-57.3-44.4000112.4H259 R263 S290 K291 P297H259-D293 HydrophobicContact CB-CB 3.72Å; R263-D293 IonicContact CZ-OD2 3.26Å; R263-D293 IonicContact NH1-OD2 2.66Å; R263-D293 PolarHBondContact NH1-OD2 3.07Å; R263-D293 IonicContact NH2-OD2 2.72Å; R263-D293 PolarHBondContact NH2-OD2 2.97Å; S290-D293 PolarHBondContact O-N 2.75Å; K291-D293 PolarHBondContact O-N 3.43Å; D293-P297 VanDerWaalsContact O-CA 3.28Å; D293-P297 WeakPolarHBondContact O-CA 3.43Å; D293-P297 VanDerWaalsContact O-CB 3.23Å; D293-P297 WeakPolarHBondContact O-CB 3.41Å; D293-P297 WeakPolarHBondContact O-CD 3.4Å
294I98.7Very high97.6Very high0 Ų051.5 Ų51.50%028%0.281CS..Hα-helixtrans-73.8-44.3171.4-69.7162000110F24 P25 V28 L29 M234 V256 V260 M287 S290 K291 A292F24-I294 HydrophobicContact CD1-CD1 4.35Å; F24-I294 HydrophobicContact CE1-CD1 4.08Å; P25-I294 HydrophobicContact CB-CG2 3.88Å; P25-I294 HydrophobicContact CG-CD1 4.25Å; V28-I294 HydrophobicContact CG1-CG2 4.33Å; L29-I294 HydrophobicContact CD1-CG2 4.49Å; L29-I294 HydrophobicContact CG-CG2 4.41Å; M234-I294 HydrophobicContact CE-CG2 4.48Å; M234-I294 HydrophobicContact SD-CG2 3.95Å; V256-I294 HydrophobicContact CG1-CG1 3.78Å; V260-I294 HydrophobicContact CG2-CG1 4.46Å; M287-I294 HydrophobicContact CG-CD1 4.47Å; M287-I294 HydrophobicContact SD-CD1 3.78Å; S290-I294 WeakPolarHBondContact O-CG1 3.5Å; S290-I294 PolarHBondContact O-N 3.33Å; K291-I294 WeakPolarHBondContact O-CB 3.33Å; K291-I294 PolarHBondContact O-N 3.37Å; A292-I294 VanDerWaalsContact C-N 3.28Å; A292-I294 PolarHBondContact O-N 3.1Å
295E98.3Very high97.5Very high78 Ų7856.1 Ų56.136%0.36431%0.305SS..Hα-helixtrans-62.8-49.9179.9-72.3167.8162.300111.8V28 K291 A292V28-E295 HydrophobicContact CG1-CB 4.47Å; V28-E295 HydrophobicContact CG1-CG 3.15Å; V28-E295 WeakPolarHBondContact CG1-OE1 3.39Å; K291-E295 IonicContact NZ-OE1 3.55Å; K291-E295 PolarHBondContact NZ-OE1 2.87Å; K291-E295 IonicContact NZ-OE2 3.61Å; K291-E295 PolarHBondContact NZ-OE2 3.29Å; K291-E295 WeakPolarHBondContact O-CG 3.33Å; K291-E295 PolarHBondContact O-N 2.96Å; A292-E295 PolarHBondContact O-N 3.49Å
296D97.7Very high97.4Very high116 Ų11656.9 Ų56.962%0.6231%0.309SS*.SBendtrans-144.782.5-178.6-170.827.7000111.2K252 A292 A298K252-D296 IonicContact NZ-OD1 2.87Å; A292-D296 PolarHBondContact O-N 3.4Å; D296-A298 PolarHBondContact O-N 3.35Å
297P97.8Very high96.7Very high3 Ų360.2 Ų60.22%0.01934%0.341CS..PPolyproline II helixtrans-67.5125.1-178.226.1-34.8000110.9W238 K252 V256 D293 I299W238-P297 HydrophobicContact CZ2-CG 4.06Å; K252-P297 HydrophobicContact CB-CG 4.11Å; K252-P297 HydrophobicContact CG-CG 4.2Å; V256-P297 HydrophobicContact CG2-CB 3.78Å; V256-P297 HydrophobicContact CG2-CG 3.71Å; D293-P297 VanDerWaalsContact O-CA 3.28Å; D293-P297 WeakPolarHBondContact O-CA 3.43Å; D293-P297 VanDerWaalsContact O-CB 3.23Å; D293-P297 WeakPolarHBondContact O-CB 3.41Å; D293-P297 WeakPolarHBondContact O-CD 3.4Å; P297-I299 PolarHBondContact O-N 3.25Å
298A97.9Very high96.7Very high63 Ų6363.3 Ų63.352%0.52136%0.358SS..PPolyproline II helixtrans-60.6128.1162.800000109.4S255 H259 D296 V300S255-A298 WeakPolarHBondContact CB-O 3.44Å; H259-A298 PolarHBondContact NE2-O 2.95Å; D296-A298 PolarHBondContact O-N 3.35Å; A298-V300 PolarHBondContact O-N 3.21Å
299I97.8Very high96.5Very high85 Ų8562.5 Ų62.544%0.43635%0.353SS..PPolyproline II helixtrans-70.1116.9-177.5-54.3-57.3000109.8E251 K252 S255 P297E251-I299 HydrophobicContact CB-CD1 4.43Å; E251-I299 HydrophobicContact CB-CG2 4.34Å; K252-I299 HydrophobicContact CG-CD1 3.7Å; S255-I299 WeakPolarHBondContact OG-CA 3.11Å; P297-I299 PolarHBondContact O-N 3.25Å
300V96.3Very high96.4Very high70 Ų7061.1 Ų61.142%0.42435%0.349SS..  trans-125-0.1-179.3-67.80000112.5S255 H258 A298S255-V300 PolarHBondContact OG-N 3.45Å; S255-V300 VanDerWaalsContact OG-N 3.09Å; H258-V300 HydrophobicContact CB-CG2 3.77Å; A298-V300 PolarHBondContact O-N 3.21Å
301T90.3Very high96.3Very high6 Ų664.7 Ų64.74%0.03737%0.37CS..SBendtrans-137116178.1-50.10000108.4I215 V217 E251 F254I215-T301 HydrophobicContact CG2-CG2 3.24Å; V217-T301 HydrophobicContact CG2-CG2 4.18Å; E251-T301 WeakPolarHBondContact CG-O 3.44Å; F254-T301 HydrophobicContact CB-CG2 4.32Å
302E94.1Very high96.1Very high161 Ų16163.1 Ų63.175%0.75237%0.369SS*.PPolyproline II helixtrans-93.8136.9-179.8-67.4-175.2177.600110.9E251E251-E302 WeakPolarHBondContact OE1-CA 3.23Å
303A96.7Very high96Very high6 Ų663.1 Ų63.15%0.0536%0.358CS..EExtended strand (participates in β ladder)trans-94.9134.417500000110.2V213 I215 K247 E251V213-A303 HydrophobicContact CB-CB 4.28Å; I215-A303 HydrophobicContact CD1-CB 4.31Å; I215-A303 HydrophobicContact CG1-CB 3.61Å; K247-A303 WeakPolarHBondContact CE-O 3.47Å; K247-A303 HydrophobicContact CG-CB 3.79Å; E251-A303 HydrophobicContact CG-CB 3.63Å; E251-A303 PolarHBondContact OE1-N 2.86Å
304T97.2Very high95.8Very high64 Ų6465.3 Ų65.339%0.39337%0.371SS..EExtended strand (participates in β ladder)trans-97132.7172.555.90000110.1V213 R214V213-T304 CarbonylContact C-O 3.49Å; V213-T304 VanDerWaalsContact CA-O 3.29Å; V213-T304 WeakPolarHBondContact CA-O 3.45Å; R214-T304 PolarHBondContact N-O 3.44Å; R214-T304 PolarHBondContact O-N 3.31Å; R214-T304 PolarHBondContact O-OG1 3.42Å; R214-T304 VanDerWaalsContact O-OG1 3.11Å
305I97.2Very high95.6Very high116 Ų11670.3 Ų70.360%0.59540%0.4SS*.EExtended strand (participates in β ladder)trans-72.4133.1172.2-61.8175.7000108.3R212 K247R212-I305 WeakPolarHBondContact O-CA 3.18Å; K247-I305 HydrophobicContact CD-CD1 4.46Å; K247-I305 HydrophobicContact CD-CG1 4.3Å
306I96.2Very high95.3Very high19 Ų1969.7 Ų69.710%0.09740%0.403CS..EExtended strand (participates in β ladder)trans-124.1157.117862.2169.7000110.4Q159 V163 L196 R212 R214Q159-I306 HydrophobicContact CG-CD1 4.2Å; V163-I306 HydrophobicContact CG2-CD1 4.17Å; L196-I306 HydrophobicContact CD2-CD1 3.4Å; L196-I306 VanDerWaalsContact CD2-CD1 3.4Å; R212-I306 HydrophobicContact CB-CD1 4.25Å; R212-I306 HydrophobicContact CB-CG1 3.59Å; R212-I306 PolarHBondContact O-N 2.81Å; R214-I306 HydrophobicContact CB-CD1 4.29Å; R214-I306 HydrophobicContact CB-CG2 3.89Å
307S85Confident95.1Very high127 Ų12765.5 Ų65.589%0.88838%0.383SS*.  trans-78.80172.760.10000111.5R212R212-S307 PolarHBondContact NH1-OXT 3.42Å

Retrieved 307 of 307 residues in 445.8 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).