G4M0V9_SCHMA Loading...

SH3 domain-binding glutamic acid-rich-like protein

AlphaFold DB , UniProt , Accession G4M0V9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 106 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
1M78.4Confident94Very high91 Ų9137.2 Ų37.245%0.44822%0.221SC..  0130.10-72.3-176.8-175.500108.1L67 R98M1-L67 HydrophobicContact CB-CD1 4.29Å; M1-R98 HydrophobicContact CE-CB 3.54Å; M1-R98 HydrophobicContact CE-CG 3.63Å; M1-R98 WeakPolarHBondContact CE-O 3.43Å; M1-R98 HydrophobicContact SD-CB 3.69Å; M1-R98 HydrophobicContact SD-CG 4.12Å; M1-R98 PolarHBondContact SD-NE 3.5Å
2V91.5Very high93.9Very high64 Ų6440.8 Ų40.839%0.38827%0.272SS..  trans-127.5145-179.3-630000108.3P33 L67V2-P33 HydrophobicContact CG1-CB 4.06Å; V2-L67 WeakPolarHBondContact O-CD1 3.39Å
3V96.6Very high94Very high1 Ų144.4 Ų44.41%0.00629%0.287CS..EExtended strand (participates in β ladder)trans-81.2123.6173.91750000108.4V5 L27 I32 P33 F34 E35 L65 L72 L91V3-V5 HydrophobicContact CG1-CG2 4.22Å; V3-L27 HydrophobicContact CG1-CD1 4.48Å; V3-I32 HydrophobicContact CG2-CG2 4.23Å; V3-P33 PolarHBondContact N-O 3.15Å; V3-F34 HydrophobicContact CB-CB 4.12Å; V3-F34 CarbonylContact O-C 3.59Å; V3-F34 WeakPolarHBondContact O-CA 3.12Å; V3-F34 WeakPolarHBondContact O-CB 3.45Å; V3-E35 PolarHBondContact O-N 3.27Å; V3-L65 HydrophobicContact CG1-CD2 3.95Å; V3-L72 HydrophobicContact CG1-CD1 4.31Å; V3-L91 HydrophobicContact CG1-CD2 4.13Å; V3-L91 HydrophobicContact CG2-CB 4.39Å; V3-L91 HydrophobicContact CG2-CD2 4.14Å
4D97.8Very high94.1Very high18 Ų1848.7 Ų48.710%0.09631%0.312CS..EExtended strand (participates in β ladder)trans-87121.6173.8-69.3-45000109.4Y6 K37 L65 F66D4-Y6 HydrophobicContact CB-CD2 4.35Å; D4-Y6 HydrophobicContact CB-CE2 3.83Å; D4-K37 HydrophobicContact CB-CG 4.29Å; D4-K37 WeakPolarHBondContact OD1-CE 3.29Å; D4-L65 WeakPolarHBondContact O-CA 3.33Å; D4-F66 HydrophobicContact CB-CB 4.24Å; D4-F66 PolarHBondContact N-O 2.55Å; D4-F66 PolarHBondContact O-N 2.92Å
5V98.2Very high94.2Very high0 Ų054.2 Ų54.20%033%0.329CS..EExtended strand (participates in β ladder)trans-108.5103.3178.2-172.20000108.5V3 I7 I23 L27 F34 E35 K37V3-V5 HydrophobicContact CG1-CG2 4.22Å; V5-I7 HydrophobicContact CG1-CG2 3.93Å; V5-I7 PolarHBondContact O-N 2.89Å; V5-I23 HydrophobicContact CG1-CG2 4.17Å; V5-I23 HydrophobicContact CG2-CG2 4.48Å; V5-L27 HydrophobicContact CG2-CD1 3.52Å; V5-F34 HydrophobicContact CG2-CB 4.21Å; V5-F34 HydrophobicContact CG2-CD2 4.11Å; V5-F34 HydrophobicContact CG2-CG 4.46Å; V5-E35 PolarHBondContact N-O 3.36Å; V5-K37 PolarHBondContact O-N 3.11Å
6Y98.1Very high94.3Very high11 Ų1151.8 Ų51.84%0.04331%0.314CS..EExtended strand (participates in β ladder)trans-78.4122.1176.6-74.1-103.4000109.7D4 K37 I39 D45 F48 M49 P63 Q64 F66D4-Y6 HydrophobicContact CB-CD2 4.35Å; D4-Y6 HydrophobicContact CB-CE2 3.83Å; Y6-K37 CarbonylContact C-O 3.52Å; Y6-K37 WeakPolarHBondContact CA-O 3.06Å; Y6-K37 HydrophobicContact CD1-CB 3.83Å; Y6-K37 HydrophobicContact CD2-CB 4.3Å; Y6-K37 HydrophobicContact CD2-CG 4.46Å; Y6-K37 HydrophobicContact CE1-CB 3.8Å; Y6-K37 HydrophobicContact CE1-CG 4.25Å; Y6-K37 HydrophobicContact CE2-CB 4.28Å; Y6-K37 HydrophobicContact CE2-CG 4.09Å; Y6-K37 HydrophobicContact CG-CB 4.07Å; Y6-I39 HydrophobicContact CD1-CG2 3.66Å; Y6-D45 HydrophobicContact CD1-CB 4.24Å; Y6-D45 HydrophobicContact CE1-CB 3.66Å; Y6-D45 WeakPolarHBondContact CE1-O 3.41Å; Y6-F48 AromaticContact CE1-CD1 3.91Å; Y6-F48 HydrophobicContact CE1-CD1 3.91Å; Y6-F48 HydrophobicContact CE2-CD1 4.19Å; Y6-F48 HydrophobicContact CE2-CE1 4.05Å; Y6-F48 AromaticContact CZ-CD1 3.49Å; Y6-F48 VanDerWaalsContact CZ-CD1 3.49Å; Y6-F48 AromaticContact CZ-CE1 3.78Å; Y6-F48 WeakPolarHBondContact OH-CD1 3.45Å; Y6-F48 WeakPolarHBondContact OH-CE1 3.34Å; Y6-M49 HydrophobicContact CD1-CB 3.75Å; Y6-M49 HydrophobicContact CD1-CG 4.14Å; Y6-M49 HydrophobicContact CD1-SD 4.35Å; Y6-M49 HydrophobicContact CE1-CB 4.16Å; Y6-M49 HydrophobicContact CG-CB 4.28Å; Y6-M49 HydrophobicContact CG-CG 4.18Å; Y6-M49 HydrophobicContact CG-SD 4.29Å; Y6-P63 WeakPolarHBondContact O-CA 3.36Å; Y6-Q64 PolarHBondContact N-O 3.13Å; Y6-Q64 PolarHBondContact O-N 2.84Å; Y6-Q64 VanDerWaalsContact O-N 3.12Å; Y6-F66 AromaticContact CD2-CD2 3.48Å; Y6-F66 HydrophobicContact CD2-CD2 3.48Å; Y6-F66 VanDerWaalsContact CD2-CD2 3.48Å; Y6-F66 AromaticContact CD2-CE2 3.92Å; Y6-F66 HydrophobicContact CD2-CE2 3.92Å; Y6-F66 HydrophobicContact CD2-CG 4.42Å; Y6-F66 HydrophobicContact CE2-CB 4.35Å; Y6-F66 AromaticContact CE2-CD2 3.64Å; Y6-F66 HydrophobicContact CE2-CD2 3.64Å; Y6-F66 HydrophobicContact CE2-CE2 4.23Å; Y6-F66 HydrophobicContact CE2-CG 4.18Å; Y6-F66 HydrophobicContact CG-CD2 4.45Å
7I98Very high94.5Very high18 Ų1854.2 Ų54.29%0.09232%0.32CS..EExtended strand (participates in β ladder)trans-128.4169.2179.971.3162000111V5 Q20 V36 K37 D38 I39V5-I7 HydrophobicContact CG1-CG2 3.93Å; V5-I7 PolarHBondContact O-N 2.89Å; I7-Q20 HydrophobicContact CB-CB 4.47Å; I7-Q20 HydrophobicContact CB-CG 4.04Å; I7-Q20 HydrophobicContact CG2-CB 4.08Å; I7-Q20 HydrophobicContact CG2-CG 3.96Å; I7-V36 HydrophobicContact CD1-CG1 3.35Å; I7-V36 HydrophobicContact CG1-CG1 3.54Å; I7-V36 HydrophobicContact CG2-CG1 4.33Å; I7-K37 PolarHBondContact N-O 3.03Å; I7-D38 HydrophobicContact CG1-CB 4.18Å; I7-D38 WeakPolarHBondContact O-CA 3.39Å; I7-I39 WeakPolarHBondContact O-CG1 3.03Å; I7-I39 PolarHBondContact O-N 3.49Å
8S96.7Very high94.6Very high22 Ų2255.3 Ų55.315%0.15433%0.331CS..  trans-123.4109.5162.6175.60000109.4T10 S11 Q20S8-T10 VanDerWaalsContact C-N 3.27Å; S8-T10 PolarHBondContact O-N 3.32Å; S8-S11 PolarHBondContact O-N 3.4Å; S8-S11 PolarHBondContact OG-N 3.1Å; S8-Q20 PolarHBondContact O-NE2 3.42Å; S8-Q20 PolarHBondContact O-OE1 2.9Å
9S94.8Very high94.8Very high63 Ų6355 Ų5544%0.44132%0.323SS..THydrogen-bonded Turntrans-66.7-30.7178.166.20000112.4S11 D38 S40S9-S11 PolarHBondContact O-N 2.74Å; S9-D38 WeakPolarHBondContact CB-OD2 3.02Å; S9-D38 PolarHBondContact N-OD1 3.11Å; S9-D38 PolarHBondContact OG-OD2 3.02Å; S9-S40 PolarHBondContact OG-OG 3.47Å
10T93.7Very high95Very high102 Ų10252.8 Ų52.863%0.62631%0.309SS*.THydrogen-bonded Turntrans-89.27.9-179.1610000114.7S8 G12 S40S8-T10 VanDerWaalsContact C-N 3.27Å; S8-T10 PolarHBondContact O-N 3.32Å; T10-G12 PolarHBondContact O-N 2.82Å; T10-S40 WeakPolarHBondContact OG1-CB 3.21Å
11S90.7Very high95.1Very high19 Ų1954.9 Ų54.913%0.13332%0.316CS..  trans-55.2124.7-177.5-1790000112.7S8 S9 N13 V16 K17S8-S11 PolarHBondContact O-N 3.4Å; S8-S11 PolarHBondContact OG-N 3.1Å; S9-S11 PolarHBondContact O-N 2.74Å; S11-N13 PolarHBondContact O-N 3.1Å; S11-N13 PolarHBondContact OG-N 3.45Å; S11-V16 WeakPolarHBondContact OG-CG1 3.49Å; S11-K17 WeakPolarHBondContact O-CD 3.42Å; S11-K17 WeakPolarHBondContact O-CE 2.92Å; S11-K17 PolarHBondContact O-NZ 2.56Å
12G92.7Very high96.1Very high81 Ų8154.2 Ų54.284%0.83531%0.309SS*.SBendtrans-72.3-11.2173.900000113.6T10T10-G12 PolarHBondContact O-N 2.82Å
13N95.1Very high96.4Very high87 Ų8751.2 Ų51.247%0.46529%0.291SS..  trans-93.9110.8-177.5-174.9-26.2000110.7S11 K15 V16 K17S11-N13 PolarHBondContact O-N 3.1Å; S11-N13 PolarHBondContact OG-N 3.45Å; N13-K15 PolarHBondContact O-N 3.4Å; N13-K15 WeakPolarHBondContact OD1-CA 3.35Å; N13-K15 VanDerWaalsContact OD1-CB 3.25Å; N13-K15 WeakPolarHBondContact OD1-CB 3.48Å; N13-K15 PolarHBondContact OD1-N 3.34Å; N13-V16 HydrophobicContact CB-CB 4.06Å; N13-V16 HydrophobicContact CB-CG2 3.91Å; N13-V16 WeakPolarHBondContact O-CB 3.41Å; N13-V16 PolarHBondContact O-N 3Å; N13-V16 VanDerWaalsContact O-N 3.09Å; N13-V16 PolarHBondContact OD1-N 3.42Å; N13-K17 PolarHBondContact O-N 3.26Å; N13-K17 VanDerWaalsContact O-N 3.07Å
14T95Very high96.5Very high105 Ų10552.4 Ų52.464%0.64430%0.297SS*.Hα-helixtrans-57.9-35.5178.8-49.20000112.6K17 S18T14-K17 PolarHBondContact O-N 3.49Å; T14-S18 PolarHBondContact O-N 3.15Å; T14-S18 PolarHBondContact O-OG 2.86Å
15K95.5Very high96.5Very high131 Ų13155.7 Ų55.757%0.5732%0.315SS*.Hα-helixtrans-63.5-43.5176.8-170.8-179.5179.5-175.40110.9N13 S18 R19N13-K15 PolarHBondContact O-N 3.4Å; N13-K15 WeakPolarHBondContact OD1-CA 3.35Å; N13-K15 VanDerWaalsContact OD1-CB 3.25Å; N13-K15 WeakPolarHBondContact OD1-CB 3.48Å; N13-K15 PolarHBondContact OD1-N 3.34Å; K15-S18 PolarHBondContact O-N 3.27Å; K15-R19 WeakPolarHBondContact O-CB 3.43Å; K15-R19 VanDerWaalsContact O-CG 3.23Å; K15-R19 WeakPolarHBondContact O-CG 3.46Å; K15-R19 PolarHBondContact O-N 3.33Å
16V96.6Very high96.5Very high15 Ų1557.4 Ų57.49%0.09132%0.324CS..Hα-helixtrans-61.3-46.7176167.50000110.6S11 N13 S18 R19 Q20 I61 A62S11-V16 WeakPolarHBondContact OG-CG1 3.49Å; N13-V16 HydrophobicContact CB-CB 4.06Å; N13-V16 HydrophobicContact CB-CG2 3.91Å; N13-V16 WeakPolarHBondContact O-CB 3.41Å; N13-V16 PolarHBondContact O-N 3Å; N13-V16 VanDerWaalsContact O-N 3.09Å; N13-V16 PolarHBondContact OD1-N 3.42Å; V16-S18 PolarHBondContact O-N 3.41Å; V16-R19 WeakPolarHBondContact O-CB 3.46Å; V16-R19 PolarHBondContact O-N 3.27Å; V16-Q20 HydrophobicContact CG1-CG 4.36Å; V16-Q20 VanDerWaalsContact O-CG 3.29Å; V16-Q20 WeakPolarHBondContact O-CG 3.46Å; V16-Q20 PolarHBondContact O-N 3.36Å; V16-I61 HydrophobicContact CG2-CG2 3.97Å; V16-A62 WeakPolarHBondContact CG1-O 3.48Å
17K96.8Very high96.5Very high94 Ų9456.9 Ų56.941%0.40932%0.322SS..Hα-helixtrans-57.4-47176.6-76.5178.3159.5155.30112.6S11 N13 T14 R19 Q20 Q21S11-K17 WeakPolarHBondContact O-CD 3.42Å; S11-K17 WeakPolarHBondContact O-CE 2.92Å; S11-K17 PolarHBondContact O-NZ 2.56Å; N13-K17 PolarHBondContact O-N 3.26Å; N13-K17 VanDerWaalsContact O-N 3.07Å; T14-K17 PolarHBondContact O-N 3.49Å; K17-R19 VanDerWaalsContact C-N 3.33Å; K17-R19 PolarHBondContact O-N 3.3Å; K17-Q20 PolarHBondContact O-N 3.14Å; K17-Q21 PolarHBondContact O-N 3.46Å
18S97.5Very high96.4Very high73 Ų7359 Ų5951%0.5134%0.338SS..Hα-helixtrans-62.6-40.4177.2-61.80000112.1T14 K15 V16 Q21 Y22T14-S18 PolarHBondContact O-N 3.15Å; T14-S18 PolarHBondContact O-OG 2.86Å; K15-S18 PolarHBondContact O-N 3.27Å; V16-S18 PolarHBondContact O-N 3.41Å; S18-Q21 PolarHBondContact O-N 3.15Å; S18-Y22 WeakPolarHBondContact O-CB 3.35Å; S18-Y22 PolarHBondContact O-N 2.81Å
19R98Very high96.5Very high50 Ų5062 Ų6219%0.18936%0.364CS..Hα-helixtrans-62.4-45.5176.4-74.1-176.2162.5-161.9-12112.1K15 V16 K17 Y22 I23 P63 Y75 D76K15-R19 WeakPolarHBondContact O-CB 3.43Å; K15-R19 VanDerWaalsContact O-CG 3.23Å; K15-R19 WeakPolarHBondContact O-CG 3.46Å; K15-R19 PolarHBondContact O-N 3.33Å; V16-R19 WeakPolarHBondContact O-CB 3.46Å; V16-R19 PolarHBondContact O-N 3.27Å; K17-R19 VanDerWaalsContact C-N 3.33Å; K17-R19 PolarHBondContact O-N 3.3Å; R19-Y22 PolarHBondContact O-N 2.92Å; R19-I23 PolarHBondContact O-N 3.09Å; R19-P63 HydrophobicContact CB-CG 4.28Å; R19-Y75 HydrophobicContact CB-CD1 4.39Å; R19-Y75 HydrophobicContact CB-CD2 3.45Å; R19-Y75 VanDerWaalsContact CB-CD2 3.45Å; R19-Y75 HydrophobicContact CB-CE2 3.71Å; R19-Y75 HydrophobicContact CB-CG 3.8Å; R19-Y75 HydrophobicContact CG-CD1 3.73Å; R19-Y75 HydrophobicContact CG-CD2 3.62Å; R19-Y75 HydrophobicContact CG-CE1 3.71Å; R19-Y75 HydrophobicContact CG-CE2 3.58Å; R19-Y75 HydrophobicContact CG-CG 3.66Å; R19-Y75 VanDerWaalsContact CZ-CD1 3.48Å; R19-D76 IonicContact CZ-OD1 2.78Å; R19-D76 IonicContact CZ-OD2 3.02Å; R19-D76 IonicContact NH1-OD1 2.82Å; R19-D76 IonicContact NH1-OD2 3.55Å; R19-D76 PolarHBondContact NH1-OD2 3.41Å; R19-D76 IonicContact NH2-OD1 3.98Å; R19-D76 PolarHBondContact NH2-OD1 3.42Å; R19-D76 IonicContact NH2-OD2 3.21Å; R19-D76 PolarHBondContact NH2-OD2 3.02Å
20Q98.3Very high96.4Very high10 Ų1061.5 Ų61.55%0.04736%0.363CS..Hα-helixtrans-58.8-49.6175.4-68.2170.4170.700111.3I7 S8 V16 K17 Y22 I23 I24 P63I7-Q20 HydrophobicContact CB-CB 4.47Å; I7-Q20 HydrophobicContact CB-CG 4.04Å; I7-Q20 HydrophobicContact CG2-CB 4.08Å; I7-Q20 HydrophobicContact CG2-CG 3.96Å; S8-Q20 PolarHBondContact O-NE2 3.42Å; S8-Q20 PolarHBondContact O-OE1 2.9Å; V16-Q20 HydrophobicContact CG1-CG 4.36Å; V16-Q20 VanDerWaalsContact O-CG 3.29Å; V16-Q20 WeakPolarHBondContact O-CG 3.46Å; V16-Q20 PolarHBondContact O-N 3.36Å; K17-Q20 PolarHBondContact O-N 3.14Å; Q20-Y22 VanDerWaalsContact C-N 3.31Å; Q20-Y22 PolarHBondContact O-N 2.96Å; Q20-I23 PolarHBondContact O-N 2.96Å; Q20-I24 WeakPolarHBondContact O-CG1 3.46Å; Q20-I24 PolarHBondContact O-N 3.32Å; Q20-P63 HydrophobicContact CG-CB 3.94Å; Q20-P63 HydrophobicContact CG-CG 4.2Å
21Q98.1Very high96.5Very high98 Ų9865.7 Ų65.746%0.45837%0.373SS..Hα-helixtrans-64.8-37-179-169.360.553.400112K17 S18 I24 N25K17-Q21 PolarHBondContact O-N 3.46Å; S18-Q21 PolarHBondContact O-N 3.15Å; Q21-I24 PolarHBondContact O-N 3.35Å; Q21-N25 PolarHBondContact NE2-OD1 3.49Å; Q21-N25 WeakPolarHBondContact O-CB 3.37Å; Q21-N25 PolarHBondContact O-N 2.92Å; Q21-N25 PolarHBondContact O-ND2 3.34Å; Q21-N25 PolarHBondContact O-OD1 3.33Å
22Y98Very high96.7Very high77 Ų7765.4 Ų65.430%0.30237%0.37SS..Hα-helixtrans-58.6-49.9177-177.6-87.4000111.5S18 R19 Q20 I24 N25 I26 Y75 F78 I79S18-Y22 WeakPolarHBondContact O-CB 3.35Å; S18-Y22 PolarHBondContact O-N 2.81Å; R19-Y22 PolarHBondContact O-N 2.92Å; Q20-Y22 VanDerWaalsContact C-N 3.31Å; Q20-Y22 PolarHBondContact O-N 2.96Å; Y22-I24 PolarHBondContact O-N 2.97Å; Y22-N25 WeakPolarHBondContact O-CB 3.43Å; Y22-N25 PolarHBondContact O-N 3.25Å; Y22-N25 VanDerWaalsContact O-N 3.17Å; Y22-I26 HydrophobicContact CD1-CG1 4.01Å; Y22-I26 HydrophobicContact CE1-CD1 4.26Å; Y22-I26 HydrophobicContact CE1-CG1 3.59Å; Y22-I26 HydrophobicContact CE2-CD1 4.46Å; Y22-I26 HydrophobicContact CE2-CG1 4.48Å; Y22-I26 WeakPolarHBondContact O-CG1 3.46Å; Y22-I26 PolarHBondContact O-N 3.11Å; Y22-Y75 AromaticContact CD1-CE2 3.81Å; Y22-Y75 HydrophobicContact CD1-CE2 3.81Å; Y22-Y75 HydrophobicContact CG-CE2 4.09Å; Y22-F78 HydrophobicContact CE1-CE1 4.42Å; Y22-I79 HydrophobicContact CD1-CD1 4.13Å; Y22-I79 HydrophobicContact CD1-CG1 4.23Å; Y22-I79 HydrophobicContact CE1-CD1 3.73Å; Y22-I79 HydrophobicContact CE1-CG1 3.7Å
23I98.4Very high96.8Very high0 Ų065.5 Ų65.50%036%0.356CS..Hα-helixtrans-60.3-46.7179.2-64-174.2000110.9V5 R19 Q20 N25 I26 L27 P63 L65 Y75 F78V5-I23 HydrophobicContact CG1-CG2 4.17Å; V5-I23 HydrophobicContact CG2-CG2 4.48Å; R19-I23 PolarHBondContact O-N 3.09Å; Q20-I23 PolarHBondContact O-N 2.96Å; I23-N25 VanDerWaalsContact C-N 3.29Å; I23-N25 PolarHBondContact O-N 2.97Å; I23-I26 PolarHBondContact O-N 3.1Å; I23-L27 HydrophobicContact CG2-CD1 3.8Å; I23-L27 HydrophobicContact CG2-CG 4.26Å; I23-L27 WeakPolarHBondContact O-CG 3.24Å; I23-L27 PolarHBondContact O-N 2.87Å; I23-P63 HydrophobicContact CD1-CB 3.91Å; I23-P63 HydrophobicContact CD1-CG 3.39Å; I23-P63 HydrophobicContact CG1-CG 4.29Å; I23-L65 HydrophobicContact CD1-CD1 3.6Å; I23-L65 HydrophobicContact CG2-CD1 4.24Å; I23-L65 HydrophobicContact CG2-CD2 4.03Å; I23-L65 HydrophobicContact CG2-CG 4.46Å; I23-Y75 HydrophobicContact CD1-CD2 4.01Å; I23-Y75 HydrophobicContact CG1-CD2 4Å; I23-F78 HydrophobicContact CB-CE1 4.38Å; I23-F78 HydrophobicContact CD1-CB 4.23Å; I23-F78 HydrophobicContact CD1-CD1 4.24Å; I23-F78 HydrophobicContact CD1-CG 4.14Å; I23-F78 HydrophobicContact CG1-CD1 3.79Å; I23-F78 HydrophobicContact CG1-CE1 4.04Å; I23-F78 HydrophobicContact CG1-CG 4.16Å; I23-F78 HydrophobicContact CG2-CD2 4.33Å; I23-F78 HydrophobicContact CG2-CE1 4.34Å; I23-F78 HydrophobicContact CG2-CE2 4.03Å; I23-F78 HydrophobicContact CG2-CZ 4.04Å
24I98.3Very high96.9Very high27 Ų2763.9 Ų63.914%0.13835%0.345CS..Hα-helixtrans-57.1-43.8176.9-69167.7000111Q20 Q21 Y22 S28 F34 V36Q20-I24 WeakPolarHBondContact O-CG1 3.46Å; Q20-I24 PolarHBondContact O-N 3.32Å; Q21-I24 PolarHBondContact O-N 3.35Å; Y22-I24 PolarHBondContact O-N 2.97Å; I24-S28 VanDerWaalsContact O-CB 3.26Å; I24-S28 WeakPolarHBondContact O-CB 3.47Å; I24-S28 PolarHBondContact O-N 3.35Å; I24-S28 PolarHBondContact O-OG 3.04Å; I24-F34 HydrophobicContact CG1-CE2 4.28Å; I24-F34 HydrophobicContact CG2-CE2 4.12Å; I24-F34 HydrophobicContact CG2-CZ 3.92Å; I24-V36 HydrophobicContact CD1-CG2 4.26Å; I24-V36 HydrophobicContact CG1-CG2 4.44Å
25N98.2Very high97Very high86 Ų8663.2 Ų63.246%0.4633%0.334SS..Hα-helixtrans-63.5-45.4178.8-69.7-8.9000111.7Q21 Y22 I23 S28 A29Q21-N25 PolarHBondContact NE2-OD1 3.49Å; Q21-N25 WeakPolarHBondContact O-CB 3.37Å; Q21-N25 PolarHBondContact O-N 2.92Å; Q21-N25 PolarHBondContact O-ND2 3.34Å; Q21-N25 PolarHBondContact O-OD1 3.33Å; Y22-N25 WeakPolarHBondContact O-CB 3.43Å; Y22-N25 PolarHBondContact O-N 3.25Å; Y22-N25 VanDerWaalsContact O-N 3.17Å; I23-N25 VanDerWaalsContact C-N 3.29Å; I23-N25 PolarHBondContact O-N 2.97Å; N25-S28 PolarHBondContact O-N 3.39Å; N25-A29 VanDerWaalsContact O-CB 3.25Å; N25-A29 WeakPolarHBondContact O-CB 3.43Å; N25-A29 PolarHBondContact O-N 2.69Å
26I98Very high97.2Very high37 Ų3759.8 Ų59.819%0.1932%0.324CS..Hα-helixtrans-64.8-48.1-179.9-63.9-58.3000110.8Y22 I23 S28 A29 A30 F78 L87Y22-I26 HydrophobicContact CD1-CG1 4.01Å; Y22-I26 HydrophobicContact CE1-CD1 4.26Å; Y22-I26 HydrophobicContact CE1-CG1 3.59Å; Y22-I26 HydrophobicContact CE2-CD1 4.46Å; Y22-I26 HydrophobicContact CE2-CG1 4.48Å; Y22-I26 WeakPolarHBondContact O-CG1 3.46Å; Y22-I26 PolarHBondContact O-N 3.11Å; I23-I26 PolarHBondContact O-N 3.1Å; I26-S28 VanDerWaalsContact C-N 3.31Å; I26-S28 PolarHBondContact O-N 3.38Å; I26-A29 PolarHBondContact O-N 3.4Å; I26-A30 VanDerWaalsContact O-CB 3.29Å; I26-A30 WeakPolarHBondContact O-CB 3.49Å; I26-A30 PolarHBondContact O-N 3.41Å; I26-F78 HydrophobicContact CB-CE1 3.91Å; I26-F78 HydrophobicContact CB-CZ 3.89Å; I26-F78 HydrophobicContact CG1-CE1 4.2Å; I26-F78 HydrophobicContact CG2-CE1 3.88Å; I26-F78 HydrophobicContact CG2-CZ 3.66Å; I26-L87 HydrophobicContact CG2-CD2 3.92Å
27L97.9Very high97.2Very high0 Ų061 Ų610%033%0.328CS..Hα-helixtrans-60.5-42.3178.3-67.1174000111.6V3 V5 I23 A30 K31 I32 F34 F78 L91V3-L27 HydrophobicContact CG1-CD1 4.48Å; V5-L27 HydrophobicContact CG2-CD1 3.52Å; I23-L27 HydrophobicContact CG2-CD1 3.8Å; I23-L27 HydrophobicContact CG2-CG 4.26Å; I23-L27 WeakPolarHBondContact O-CG 3.24Å; I23-L27 PolarHBondContact O-N 2.87Å; L27-A30 PolarHBondContact O-N 3.26Å; L27-K31 PolarHBondContact O-N 2.97Å; L27-K31 VanDerWaalsContact O-N 3.1Å; L27-I32 HydrophobicContact CD2-CB 4.1Å; L27-I32 HydrophobicContact CD2-CD1 4.16Å; L27-I32 HydrophobicContact CD2-CG2 4.02Å; L27-I32 PolarHBondContact O-N 3.49Å; L27-F34 HydrophobicContact CB-CD1 3.52Å; L27-F34 HydrophobicContact CB-CE1 3.79Å; L27-F34 HydrophobicContact CB-CG 4.16Å; L27-F34 HydrophobicContact CD1-CB 3.92Å; L27-F34 HydrophobicContact CD1-CD1 4.12Å; L27-F34 HydrophobicContact CD1-CD2 4.36Å; L27-F34 HydrophobicContact CD1-CG 3.89Å; L27-F34 HydrophobicContact CG-CD1 4.45Å; L27-F78 HydrophobicContact CD2-CE2 3.97Å; L27-F78 HydrophobicContact CD2-CZ 4.27Å; L27-F78 HydrophobicContact CG-CE2 4.27Å; L27-F78 HydrophobicContact CG-CZ 4.27Å; L27-L91 HydrophobicContact CD2-CD1 3.64Å
28S97.1Very high97.2Very high62 Ų6258 Ų5843%0.43432%0.316SS..Hα-helixtrans-64-45.3176.5-58.70000112I24 N25 I26 A30 K31 F34I24-S28 VanDerWaalsContact O-CB 3.26Å; I24-S28 WeakPolarHBondContact O-CB 3.47Å; I24-S28 PolarHBondContact O-N 3.35Å; I24-S28 PolarHBondContact O-OG 3.04Å; N25-S28 PolarHBondContact O-N 3.39Å; I26-S28 VanDerWaalsContact C-N 3.31Å; I26-S28 PolarHBondContact O-N 3.38Å; S28-A30 VanDerWaalsContact C-N 3.32Å; S28-A30 PolarHBondContact O-N 2.77Å; S28-K31 PolarHBondContact O-N 3.48Å; S28-K31 VanDerWaalsContact O-N 3.11Å; S28-F34 WeakPolarHBondContact OG-CE1 3.43Å; S28-F34 WeakPolarHBondContact OG-CZ 3.11Å
29A97Very high97.2Very high84 Ų8455.5 Ų55.569%0.69430%0.297SS*.Hα-helixtrans-64.4-37.8178.400000111.9N25 I26 K31N25-A29 VanDerWaalsContact O-CB 3.25Å; N25-A29 WeakPolarHBondContact O-CB 3.43Å; N25-A29 PolarHBondContact O-N 2.69Å; I26-A29 PolarHBondContact O-N 3.4Å; A29-K31 PolarHBondContact O-N 2.99Å
30A94.1Very high97.1Very high53 Ų5355.4 Ų55.444%0.43830%0.304SS..THydrogen-bonded Turntrans-77.3-3.2175.600000113.6I26 L27 S28 I32I26-A30 VanDerWaalsContact O-CB 3.29Å; I26-A30 WeakPolarHBondContact O-CB 3.49Å; I26-A30 PolarHBondContact O-N 3.41Å; L27-A30 PolarHBondContact O-N 3.26Å; S28-A30 VanDerWaalsContact C-N 3.32Å; S28-A30 PolarHBondContact O-N 2.77Å; A30-I32 HydrophobicContact CB-CD1 3.78Å; A30-I32 HydrophobicContact CB-CG1 3.81Å; A30-I32 PolarHBondContact O-N 2.96Å
31K95.2Very high96.9Very high190 Ų19059.6 Ų59.683%0.82634%0.335SS*.THydrogen-bonded Turntrans54.632.8-175.3-56-179-179.51780113.4L27 S28 A29L27-K31 PolarHBondContact O-N 2.97Å; L27-K31 VanDerWaalsContact O-N 3.1Å; S28-K31 PolarHBondContact O-N 3.48Å; S28-K31 VanDerWaalsContact O-N 3.11Å; A29-K31 PolarHBondContact O-N 2.99Å
32I95.1Very high96.8Very high14 Ų1456.4 Ų56.47%0.07232%0.323CS..  trans-82.4127.9176.6-64.4176.8000107.8V3 L27 A30 F34 L87 L88 L91 L93V3-I32 HydrophobicContact CG2-CG2 4.23Å; L27-I32 HydrophobicContact CD2-CB 4.1Å; L27-I32 HydrophobicContact CD2-CD1 4.16Å; L27-I32 HydrophobicContact CD2-CG2 4.02Å; L27-I32 PolarHBondContact O-N 3.49Å; A30-I32 HydrophobicContact CB-CD1 3.78Å; A30-I32 HydrophobicContact CB-CG1 3.81Å; A30-I32 PolarHBondContact O-N 2.96Å; I32-F34 VanDerWaalsContact O-CD1 3.31Å; I32-F34 WeakPolarHBondContact O-CD1 3.33Å; I32-F34 PolarHBondContact O-N 2.86Å; I32-L87 HydrophobicContact CD1-CD2 4.13Å; I32-L87 HydrophobicContact CD1-CG 4.43Å; I32-L88 HydrophobicContact CD1-CD2 3.9Å; I32-L88 HydrophobicContact CG1-CD2 4.46Å; I32-L91 HydrophobicContact CD1-CD1 3.59Å; I32-L91 HydrophobicContact CG2-CD1 4.25Å; I32-L93 HydrophobicContact CD1-CD1 4.34Å; I32-L93 HydrophobicContact CG1-CD1 4.39Å; I32-L93 HydrophobicContact CG2-CD1 3.5Å; I32-L93 VanDerWaalsContact CG2-CD1 3.5Å
33P94.7Very high96.7Very high82 Ų8257.8 Ų57.853%0.53233%0.332SS..  trans-65.8124.5174.9-22.634.6000111.6V2 V3V2-P33 HydrophobicContact CG1-CB 4.06Å; V3-P33 PolarHBondContact N-O 3.15Å
34F97.4Very high96.7Very high54 Ų5463 Ų6324%0.23736%0.364CS..EExtended strand (participates in β ladder)trans-140.9156.117769.7-85.5000111.7V3 V5 I24 L27 S28 I32 V36V3-F34 HydrophobicContact CB-CB 4.12Å; V3-F34 CarbonylContact O-C 3.59Å; V3-F34 WeakPolarHBondContact O-CA 3.12Å; V3-F34 WeakPolarHBondContact O-CB 3.45Å; V5-F34 HydrophobicContact CG2-CB 4.21Å; V5-F34 HydrophobicContact CG2-CD2 4.11Å; V5-F34 HydrophobicContact CG2-CG 4.46Å; I24-F34 HydrophobicContact CG1-CE2 4.28Å; I24-F34 HydrophobicContact CG2-CE2 4.12Å; I24-F34 HydrophobicContact CG2-CZ 3.92Å; L27-F34 HydrophobicContact CB-CD1 3.52Å; L27-F34 HydrophobicContact CB-CE1 3.79Å; L27-F34 HydrophobicContact CB-CG 4.16Å; L27-F34 HydrophobicContact CD1-CB 3.92Å; L27-F34 HydrophobicContact CD1-CD1 4.12Å; L27-F34 HydrophobicContact CD1-CD2 4.36Å; L27-F34 HydrophobicContact CD1-CG 3.89Å; L27-F34 HydrophobicContact CG-CD1 4.45Å; S28-F34 WeakPolarHBondContact OG-CE1 3.43Å; S28-F34 WeakPolarHBondContact OG-CZ 3.11Å; I32-F34 VanDerWaalsContact O-CD1 3.31Å; I32-F34 WeakPolarHBondContact O-CD1 3.33Å; I32-F34 PolarHBondContact O-N 2.86Å; F34-V36 HydrophobicContact CD2-CG2 4Å; F34-V36 HydrophobicContact CE2-CG2 3.7Å
35E97.7Very high96.6Very high91 Ų9163.2 Ų63.243%0.42537%0.366SS..EExtended strand (participates in β ladder)trans-118.1138.3171.3-164.8-176.5158.400109.7V3 V5 K37V3-E35 PolarHBondContact O-N 3.27Å; V5-E35 PolarHBondContact N-O 3.36Å; E35-K37 VanDerWaalsContact CD-CE 3.4Å; E35-K37 HydrophobicContact CG-CD 4.49Å; E35-K37 WeakPolarHBondContact OE1-CE 3.25Å; E35-K37 IonicContact OE1-NZ 3.96Å; E35-K37 PolarHBondContact OE1-NZ 3.37Å; E35-K37 WeakPolarHBondContact OE2-CE 3.29Å; E35-K37 IonicContact OE2-NZ 2.68Å; E35-K37 PolarHBondContact OE2-NZ 2.84Å
36V97.8Very high96.5Very high59 Ų5962.4 Ų62.436%0.35836%0.358SS..EExtended strand (participates in β ladder)trans-93.6118.2176.8178.10000109I7 I24 F34I7-V36 HydrophobicContact CD1-CG1 3.35Å; I7-V36 HydrophobicContact CG1-CG1 3.54Å; I7-V36 HydrophobicContact CG2-CG1 4.33Å; I24-V36 HydrophobicContact CD1-CG2 4.26Å; I24-V36 HydrophobicContact CG1-CG2 4.44Å; F34-V36 HydrophobicContact CD2-CG2 4Å; F34-V36 HydrophobicContact CE2-CG2 3.7Å
37K97.5Very high96.4Very high40 Ų4066.2 Ų66.217%0.17438%0.375CS..EExtended strand (participates in β ladder)trans-103.7105.6175.8-55.7-65.9-175.2179.80109D4 V5 Y6 I7 E35 I39 D45D4-K37 HydrophobicContact CB-CG 4.29Å; D4-K37 WeakPolarHBondContact OD1-CE 3.29Å; V5-K37 PolarHBondContact O-N 3.11Å; Y6-K37 CarbonylContact C-O 3.52Å; Y6-K37 WeakPolarHBondContact CA-O 3.06Å; Y6-K37 HydrophobicContact CD1-CB 3.83Å; Y6-K37 HydrophobicContact CD2-CB 4.3Å; Y6-K37 HydrophobicContact CD2-CG 4.46Å; Y6-K37 HydrophobicContact CE1-CB 3.8Å; Y6-K37 HydrophobicContact CE1-CG 4.25Å; Y6-K37 HydrophobicContact CE2-CB 4.28Å; Y6-K37 HydrophobicContact CE2-CG 4.09Å; Y6-K37 HydrophobicContact CG-CB 4.07Å; I7-K37 PolarHBondContact N-O 3.03Å; E35-K37 VanDerWaalsContact CD-CE 3.4Å; E35-K37 HydrophobicContact CG-CD 4.49Å; E35-K37 WeakPolarHBondContact OE1-CE 3.25Å; E35-K37 IonicContact OE1-NZ 3.96Å; E35-K37 PolarHBondContact OE1-NZ 3.37Å; E35-K37 WeakPolarHBondContact OE2-CE 3.29Å; E35-K37 IonicContact OE2-NZ 2.68Å; E35-K37 PolarHBondContact OE2-NZ 2.84Å; K37-I39 PolarHBondContact O-N 2.77Å; K37-D45 HydrophobicContact CB-CB 4.45Å
38D97.3Very high96.4Very high30 Ų3069.4 Ų69.416%0.1639%0.389CS..EExtended strand (participates in β ladder)trans-89.4101.7-178.6-177.911.3000111.6I7 S9 S40 S41 S42I7-D38 HydrophobicContact CG1-CB 4.18Å; I7-D38 WeakPolarHBondContact O-CA 3.39Å; S9-D38 WeakPolarHBondContact CB-OD2 3.02Å; S9-D38 PolarHBondContact N-OD1 3.11Å; S9-D38 PolarHBondContact OG-OD2 3.02Å; D38-S40 PolarHBondContact O-N 3.3Å; D38-S40 VanDerWaalsContact O-N 3.11Å; D38-S40 WeakPolarHBondContact OD1-CB 3.41Å; D38-S40 PolarHBondContact OD1-N 2.93Å; D38-S40 PolarHBondContact OD1-OG 3.41Å; D38-S40 PolarHBondContact OD2-OG 3.12Å; D38-S40 VanDerWaalsContact OD2-OG 3.08Å; D38-S41 PolarHBondContact O-N 3.01Å; D38-S41 VanDerWaalsContact O-N 3.1Å; D38-S41 PolarHBondContact O-OG 3.28Å; D38-S41 PolarHBondContact OD2-OG 2.82Å; D38-S42 PolarHBondContact O-N 3.25Å; D38-S42 VanDerWaalsContact O-N 3.11Å
39I96.9Very high96.4Very high21 Ų2166.5 Ų66.511%0.10837%0.369CS..THydrogen-bonded Turntrans-66.1-14.9-178.974.7-172.9000113.1Y6 I7 K37 S41 D45 K46 M49Y6-I39 HydrophobicContact CD1-CG2 3.66Å; I7-I39 WeakPolarHBondContact O-CG1 3.03Å; I7-I39 PolarHBondContact O-N 3.49Å; K37-I39 PolarHBondContact O-N 2.77Å; I39-S41 VanDerWaalsContact C-N 3.3Å; I39-D45 HydrophobicContact CG2-CB 4.38Å; I39-K46 HydrophobicContact CB-CB 3.87Å; I39-K46 HydrophobicContact CB-CG 4.23Å; I39-K46 HydrophobicContact CG2-CB 4.47Å; I39-M49 HydrophobicContact CD1-CE 3.47Å; I39-M49 VanDerWaalsContact CD1-CE 3.47Å; I39-M49 HydrophobicContact CD1-SD 4.04Å; I39-M49 HydrophobicContact CG2-CE 4.49Å; I39-M49 HydrophobicContact CG2-SD 4.15Å
40S95Very high96.3Very high48 Ų4866.7 Ų66.734%0.33635%0.354SS..THydrogen-bonded Turntrans-78.4-18.1176.871.50000113.3S9 T10 D38S9-S40 PolarHBondContact OG-OG 3.47Å; T10-S40 WeakPolarHBondContact OG1-CB 3.21Å; D38-S40 PolarHBondContact O-N 3.3Å; D38-S40 VanDerWaalsContact O-N 3.11Å; D38-S40 WeakPolarHBondContact OD1-CB 3.41Å; D38-S40 PolarHBondContact OD1-N 2.93Å; D38-S40 PolarHBondContact OD1-OG 3.41Å; D38-S40 PolarHBondContact OD2-OG 3.12Å; D38-S40 VanDerWaalsContact OD2-OG 3.08Å
41S95.2Very high96.4Very high99 Ų9970.2 Ų70.269%0.69236%0.359SS*.THydrogen-bonded Turntrans-115.3-8.2178.1530000113.4D38 I39D38-S41 PolarHBondContact O-N 3.01Å; D38-S41 VanDerWaalsContact O-N 3.1Å; D38-S41 PolarHBondContact O-OG 3.28Å; D38-S41 PolarHBondContact OD2-OG 2.82Å; I39-S41 VanDerWaalsContact C-N 3.3Å
42S96.4Very high96.4Very high30 Ų3061.5 Ų61.521%0.2132%0.323CS..  trans-129.5108.4-179.7176.60000111.5D38 T44 D45 K46D38-S42 PolarHBondContact O-N 3.25Å; D38-S42 VanDerWaalsContact O-N 3.11Å; S42-T44 VanDerWaalsContact C-N 3.31Å; S42-D45 WeakPolarHBondContact CB-OD2 3.41Å; S42-D45 PolarHBondContact O-N 3.22Å; S42-D45 WeakPolarHBondContact OG-CB 3.49Å; S42-D45 VanDerWaalsContact OG-CG 3.24Å; S42-D45 PolarHBondContact OG-N 2.97Å; S42-D45 PolarHBondContact OG-OD2 3.35Å; S42-K46 WeakPolarHBondContact O-CB 3.19Å; S42-K46 PolarHBondContact O-N 2.9Å
43E96Very high96.4Very high106 Ų10660.9 Ų60.950%0.49532%0.32SS..Hα-helixtrans-68.1-32.8177-174.459.7-151.400111.5K46 Q47E43-K46 WeakPolarHBondContact O-CB 3.07Å; E43-K46 PolarHBondContact O-N 3.17Å; E43-K46 IonicContact OE2-NZ 3.47Å; E43-K46 PolarHBondContact OE2-NZ 2.98Å; E43-Q47 HydrophobicContact CG-CG 4.5Å; E43-Q47 WeakPolarHBondContact O-CB 3.36Å; E43-Q47 VanDerWaalsContact O-CG 3.29Å; E43-Q47 WeakPolarHBondContact O-CG 3.26Å; E43-Q47 PolarHBondContact O-N 2.71Å; E43-Q47 PolarHBondContact OE1-NE2 2.98Å
44T97.3Very high96.4Very high109 Ų10964.5 Ų64.567%0.66933%0.33SS*.Hα-helixtrans-62.2-48.6175.3-55.80000111.5S42 K46 Q47 F48S42-T44 VanDerWaalsContact C-N 3.31Å; T44-K46 VanDerWaalsContact C-N 3.32Å; T44-K46 PolarHBondContact O-N 2.74Å; T44-Q47 PolarHBondContact O-N 2.95Å; T44-F48 WeakPolarHBondContact O-CB 3.49Å; T44-F48 PolarHBondContact O-N 2.95Å
45D96.6Very high96.3Very high33 Ų3368.3 Ų68.318%0.17635%0.348CS..Hα-helixtrans-65.1-39.5178.5-72.7-47.1000111.5Y6 K37 I39 S42 F48 M49Y6-D45 HydrophobicContact CD1-CB 4.24Å; Y6-D45 HydrophobicContact CE1-CB 3.66Å; Y6-D45 WeakPolarHBondContact CE1-O 3.41Å; K37-D45 HydrophobicContact CB-CB 4.45Å; I39-D45 HydrophobicContact CG2-CB 4.38Å; S42-D45 WeakPolarHBondContact CB-OD2 3.41Å; S42-D45 PolarHBondContact O-N 3.22Å; S42-D45 WeakPolarHBondContact OG-CB 3.49Å; S42-D45 VanDerWaalsContact OG-CG 3.24Å; S42-D45 PolarHBondContact OG-N 2.97Å; S42-D45 PolarHBondContact OG-OD2 3.35Å; D45-F48 PolarHBondContact O-N 3.41Å; D45-M49 WeakPolarHBondContact O-CB 3.38Å; D45-M49 PolarHBondContact O-N 3.19Å
46K96.3Very high96.1Very high69 Ų6967.9 Ų67.930%0.335%0.349SS..Hα-helixtrans-60-48.3175.2-172.2-178.5168.7-162.60111.8I39 S42 E43 T44 M49 F50I39-K46 HydrophobicContact CB-CB 3.87Å; I39-K46 HydrophobicContact CB-CG 4.23Å; I39-K46 HydrophobicContact CG2-CB 4.47Å; S42-K46 WeakPolarHBondContact O-CB 3.19Å; S42-K46 PolarHBondContact O-N 2.9Å; E43-K46 WeakPolarHBondContact O-CB 3.07Å; E43-K46 PolarHBondContact O-N 3.17Å; E43-K46 IonicContact OE2-NZ 3.47Å; E43-K46 PolarHBondContact OE2-NZ 2.98Å; T44-K46 VanDerWaalsContact C-N 3.32Å; T44-K46 PolarHBondContact O-N 2.74Å; K46-M49 PolarHBondContact O-N 2.88Å; K46-F50 HydrophobicContact CG-CD2 4.05Å; K46-F50 HydrophobicContact CG-CE2 3.75Å; K46-F50 HydrophobicContact CG-CZ 4.26Å; K46-F50 WeakPolarHBondContact O-CB 3.44Å; K46-F50 WeakPolarHBondContact O-CD2 3.31Å; K46-F50 WeakPolarHBondContact O-CG 3.39Å; K46-F50 PolarHBondContact O-N 3.46Å
47Q96.9Very high95.8Very high116 Ų11668.5 Ų68.554%0.54237%0.367SS..Hα-helixtrans-64.7-43179.3-74.1177.39.700112E43 T44 F50 K51E43-Q47 HydrophobicContact CG-CG 4.5Å; E43-Q47 WeakPolarHBondContact O-CB 3.36Å; E43-Q47 VanDerWaalsContact O-CG 3.29Å; E43-Q47 WeakPolarHBondContact O-CG 3.26Å; E43-Q47 PolarHBondContact O-N 2.71Å; E43-Q47 PolarHBondContact OE1-NE2 2.98Å; T44-Q47 PolarHBondContact O-N 2.95Å; Q47-F50 PolarHBondContact O-N 2.8Å; Q47-K51 WeakPolarHBondContact O-CB 3.43Å; Q47-K51 PolarHBondContact O-N 3.36Å
48F97.2Very high95.6Very high68 Ų6869.6 Ų69.630%0.29837%0.372SS..Hα-helixtrans-57.1-53.5174.4171.4-91.9000111.2Y6 T44 D45 F50 K51 A52 F66Y6-F48 AromaticContact CE1-CD1 3.91Å; Y6-F48 HydrophobicContact CE1-CD1 3.91Å; Y6-F48 HydrophobicContact CE2-CD1 4.19Å; Y6-F48 HydrophobicContact CE2-CE1 4.05Å; Y6-F48 AromaticContact CZ-CD1 3.49Å; Y6-F48 VanDerWaalsContact CZ-CD1 3.49Å; Y6-F48 AromaticContact CZ-CE1 3.78Å; Y6-F48 WeakPolarHBondContact OH-CD1 3.45Å; Y6-F48 WeakPolarHBondContact OH-CE1 3.34Å; T44-F48 WeakPolarHBondContact O-CB 3.49Å; T44-F48 PolarHBondContact O-N 2.95Å; D45-F48 PolarHBondContact O-N 3.41Å; F48-F50 VanDerWaalsContact C-N 3.34Å; F48-F50 PolarHBondContact O-N 3.43Å; F48-K51 PolarHBondContact O-N 3.24Å; F48-A52 WeakPolarHBondContact O-CB 3.21Å; F48-A52 PolarHBondContact O-N 2.78Å; F48-F66 AromaticContact CE1-CD1 3.86Å; F48-F66 HydrophobicContact CE1-CD1 3.86Å; F48-F66 HydrophobicContact CE1-CD2 4.44Å; F48-F66 AromaticContact CE1-CE1 3.92Å; F48-F66 HydrophobicContact CE1-CE1 3.92Å; F48-F66 HydrophobicContact CE1-CE2 4.48Å; F48-F66 HydrophobicContact CE1-CG 4.14Å; F48-F66 HydrophobicContact CE1-CZ 4.22Å; F48-F66 HydrophobicContact CZ-CD1 4.05Å; F48-F66 HydrophobicContact CZ-CE1 4.21Å
49M96.5Very high95.2Very high1 Ų172.9 Ų72.91%0.00539%0.393CS..Hα-helixtrans-59-46.4-179.6-170.7-163.971.200110.7Y6 I39 D45 K46 K51 A52 L53 V60 Q64 F66Y6-M49 HydrophobicContact CD1-CB 3.75Å; Y6-M49 HydrophobicContact CD1-CG 4.14Å; Y6-M49 HydrophobicContact CD1-SD 4.35Å; Y6-M49 HydrophobicContact CE1-CB 4.16Å; Y6-M49 HydrophobicContact CG-CB 4.28Å; Y6-M49 HydrophobicContact CG-CG 4.18Å; Y6-M49 HydrophobicContact CG-SD 4.29Å; I39-M49 HydrophobicContact CD1-CE 3.47Å; I39-M49 VanDerWaalsContact CD1-CE 3.47Å; I39-M49 HydrophobicContact CD1-SD 4.04Å; I39-M49 HydrophobicContact CG2-CE 4.49Å; I39-M49 HydrophobicContact CG2-SD 4.15Å; D45-M49 WeakPolarHBondContact O-CB 3.38Å; D45-M49 PolarHBondContact O-N 3.19Å; K46-M49 PolarHBondContact O-N 2.88Å; M49-K51 PolarHBondContact O-N 3.02Å; M49-A52 PolarHBondContact O-N 2.82Å; M49-L53 HydrophobicContact CE-CD1 4.11Å; M49-L53 HydrophobicContact CG-CD1 3.87Å; M49-L53 HydrophobicContact CG-CG 4.35Å; M49-L53 WeakPolarHBondContact O-CB 3.43Å; M49-L53 WeakPolarHBondContact O-CG 3.14Å; M49-L53 PolarHBondContact O-N 2.86Å; M49-L53 HydrophobicContact SD-CD1 4.33Å; M49-V60 HydrophobicContact CE-CG1 4.11Å; M49-Q64 HydrophobicContact CG-CB 4.28Å; M49-Q64 HydrophobicContact CG-CG 4.41Å; M49-Q64 HydrophobicContact SD-CB 4.14Å; M49-Q64 HydrophobicContact SD-CG 4.01Å; M49-F66 HydrophobicContact CG-CE2 4.29Å
50F95.7Very high94.9Very high88 Ų8875 Ų7539%0.38641%0.407SS..Hα-helixtrans-60.4-48.1-179-85.2-137.3000111.7K46 Q47 F48 L53 E54 V60K46-F50 HydrophobicContact CG-CD2 4.05Å; K46-F50 HydrophobicContact CG-CE2 3.75Å; K46-F50 HydrophobicContact CG-CZ 4.26Å; K46-F50 WeakPolarHBondContact O-CB 3.44Å; K46-F50 WeakPolarHBondContact O-CD2 3.31Å; K46-F50 WeakPolarHBondContact O-CG 3.39Å; K46-F50 PolarHBondContact O-N 3.46Å; Q47-F50 PolarHBondContact O-N 2.8Å; F48-F50 VanDerWaalsContact C-N 3.34Å; F48-F50 PolarHBondContact O-N 3.43Å; F50-L53 PolarHBondContact O-N 3.38Å; F50-E54 PolarHBondContact O-N 2.75Å; F50-V60 HydrophobicContact CD1-CG1 3.82Å; F50-V60 HydrophobicContact CD2-CG1 3.3Å; F50-V60 HydrophobicContact CE1-CG1 3.67Å; F50-V60 HydrophobicContact CE2-CG1 3.13Å; F50-V60 HydrophobicContact CG-CG1 3.65Å; F50-V60 HydrophobicContact CZ-CG1 3.32Å
51K96.1Very high94.8Very high126 Ų12677 Ų7755%0.54841%0.413SS..Hα-helixtrans-61.5-47.6179.1-177.9-177.8172.1-171.60111.5Q47 F48 M49 L53 E54 E55Q47-K51 WeakPolarHBondContact O-CB 3.43Å; Q47-K51 PolarHBondContact O-N 3.36Å; F48-K51 PolarHBondContact O-N 3.24Å; M49-K51 PolarHBondContact O-N 3.02Å; K51-L53 VanDerWaalsContact C-N 3.3Å; K51-L53 PolarHBondContact O-N 3.36Å; K51-E54 PolarHBondContact O-N 3.21Å; K51-E55 WeakPolarHBondContact CE-OE1 3.16Å; K51-E55 IonicContact NZ-OE1 3.5Å; K51-E55 WeakPolarHBondContact O-CG 3.4Å; K51-E55 PolarHBondContact O-N 2.99Å
52A95.2Very high94.8Very high8 Ų872.7 Ų72.77%0.06638%0.384CS..Hα-helixtrans-63.5-37.2-179.400000112.1F48 M49 E55 N56 F66F48-A52 WeakPolarHBondContact O-CB 3.21Å; F48-A52 PolarHBondContact O-N 2.78Å; M49-A52 PolarHBondContact O-N 2.82Å; A52-E55 PolarHBondContact O-N 3.41Å; A52-N56 WeakPolarHBondContact O-CB 3.44Å; A52-N56 PolarHBondContact O-N 2.98Å; A52-N56 VanDerWaalsContact O-N 3.11Å; A52-N56 PolarHBondContact O-ND2 3Å; A52-F66 HydrophobicContact CB-CE1 3.55Å; A52-F66 HydrophobicContact CB-CZ 3.75Å
53L95.1Very high94.9Very high0 Ų071.4 Ų71.40%037%0.374CS..Hα-helixtrans-69.5-38.5176.4-65.1172.3000112.3M49 F50 K51 N56 G57 K58 V60 Q64 Y71M49-L53 HydrophobicContact CE-CD1 4.11Å; M49-L53 HydrophobicContact CG-CD1 3.87Å; M49-L53 HydrophobicContact CG-CG 4.35Å; M49-L53 WeakPolarHBondContact O-CB 3.43Å; M49-L53 WeakPolarHBondContact O-CG 3.14Å; M49-L53 PolarHBondContact O-N 2.86Å; M49-L53 HydrophobicContact SD-CD1 4.33Å; F50-L53 PolarHBondContact O-N 3.38Å; K51-L53 VanDerWaalsContact C-N 3.3Å; K51-L53 PolarHBondContact O-N 3.36Å; L53-N56 CarbonylContact O-C 3.45Å; L53-N56 PolarHBondContact O-N 3.25Å; L53-G57 PolarHBondContact O-N 3.01Å; L53-K58 HydrophobicContact CB-CB 4.1Å; L53-K58 HydrophobicContact CD2-CB 3.61Å; L53-K58 HydrophobicContact CD2-CG 4.37Å; L53-K58 HydrophobicContact CG-CB 4.43Å; L53-K58 PolarHBondContact O-N 3.43Å; L53-V60 HydrophobicContact CD1-CB 4.42Å; L53-V60 HydrophobicContact CD1-CG1 4.32Å; L53-Q64 HydrophobicContact CD1-CG 3.99Å; L53-Q64 HydrophobicContact CD2-CG 3.99Å; L53-Y71 HydrophobicContact CD2-CD2 4.33Å; L53-Y71 HydrophobicContact CD2-CE2 3.61Å
54E95Very high95Very high158 Ų15866.5 Ų66.574%0.73835%0.352SS*.Hα-helixtrans-59.7-47173.5-177.2177-137.200111.2F50 K51 N56 G57F50-E54 PolarHBondContact O-N 2.75Å; K51-E54 PolarHBondContact O-N 3.21Å; E54-N56 VanDerWaalsContact C-N 3.25Å; E54-N56 PolarHBondContact O-N 3.47Å; E54-G57 PolarHBondContact O-N 3.4Å; E54-G57 VanDerWaalsContact O-N 3.12Å
55E94.2Very high95Very high134 Ų13461.3 Ų61.363%0.62632%0.32SS*.Hα-helixtrans-62.4-30.7177.8-71.1173.9164.200112.9K51 A52K51-E55 WeakPolarHBondContact CE-OE1 3.16Å; K51-E55 IonicContact NZ-OE1 3.5Å; K51-E55 WeakPolarHBondContact O-CG 3.4Å; K51-E55 PolarHBondContact O-N 2.99Å; A52-E55 PolarHBondContact O-N 3.41Å
56N92.9Very high95.1Very high83 Ų8359.8 Ų59.844%0.44431%0.311SS..THydrogen-bonded Turntrans-93.30.9178-74-83.3000113.7A52 L53 E54 K58 Y71A52-N56 WeakPolarHBondContact O-CB 3.44Å; A52-N56 PolarHBondContact O-N 2.98Å; A52-N56 VanDerWaalsContact O-N 3.11Å; A52-N56 PolarHBondContact O-ND2 3Å; L53-N56 CarbonylContact O-C 3.45Å; L53-N56 PolarHBondContact O-N 3.25Å; E54-N56 VanDerWaalsContact C-N 3.25Å; E54-N56 PolarHBondContact O-N 3.47Å; N56-K58 VanDerWaalsContact C-N 3.27Å; N56-K58 HydrophobicContact CB-CG 3.79Å; N56-K58 PolarHBondContact O-N 3.35Å; N56-Y71 HydrophobicContact CB-CD1 4.25Å
57G93.1Very high95Very high71 Ų7156.8 Ų56.873%0.73230%0.299SS*.THydrogen-bonded Turntrans63.731.2-176.800000113.7L53 E54L53-G57 PolarHBondContact O-N 3.01Å; E54-G57 PolarHBondContact O-N 3.4Å; E54-G57 VanDerWaalsContact O-N 3.12Å
58K92.5Very high94.8Very high63 Ų6353.3 Ų53.327%0.27429%0.294SS..  trans-101.4158.5-174.9-65-72.81801530111.7L53 N56 Y71 E77L53-K58 HydrophobicContact CB-CB 4.1Å; L53-K58 HydrophobicContact CD2-CB 3.61Å; L53-K58 HydrophobicContact CD2-CG 4.37Å; L53-K58 HydrophobicContact CG-CB 4.43Å; L53-K58 PolarHBondContact O-N 3.43Å; N56-K58 VanDerWaalsContact C-N 3.27Å; N56-K58 HydrophobicContact CB-CG 3.79Å; N56-K58 PolarHBondContact O-N 3.35Å; K58-Y71 HydrophobicContact CD-CE1 4.01Å; K58-Y71 HydrophobicContact CG-CE1 3.77Å; K58-E77 IonicContact NZ-OE1 3.88Å; K58-E77 PolarHBondContact NZ-OE1 2.95Å; K58-E77 IonicContact NZ-OE2 2.69Å; K58-E77 PolarHBondContact NZ-OE2 3.16Å
59T89.2Confident94.5Very high99 Ų9955 Ų5561%0.60731%0.314SS*.  trans-81.3137.8179.7-53.30000110.5I61T59-I61 HydrophobicContact CG2-CD1 3.6Å; T59-I61 HydrophobicContact CG2-CG1 3.85Å; T59-I61 PolarHBondContact O-N 2.92Å
60V90.2Very high94.4Very high67 Ų6758.1 Ų58.141%0.40633%0.329SS..SBendtrans-77.563.4-177.9-165.40000112.2M49 F50 L53M49-V60 HydrophobicContact CE-CG1 4.11Å; F50-V60 HydrophobicContact CD1-CG1 3.82Å; F50-V60 HydrophobicContact CD2-CG1 3.3Å; F50-V60 HydrophobicContact CE1-CG1 3.67Å; F50-V60 HydrophobicContact CE2-CG1 3.13Å; F50-V60 HydrophobicContact CG-CG1 3.65Å; F50-V60 HydrophobicContact CZ-CG1 3.32Å; L53-V60 HydrophobicContact CD1-CB 4.42Å; L53-V60 HydrophobicContact CD1-CG1 4.32Å
61I93.5Very high94.4Very high88 Ų8855.3 Ų55.345%0.45132%0.316SS..  trans-132.1123.9-179.2-66.7170.4000109.5V16 T59 Q64V16-I61 HydrophobicContact CG2-CG2 3.97Å; T59-I61 HydrophobicContact CG2-CD1 3.6Å; T59-I61 HydrophobicContact CG2-CG1 3.85Å; T59-I61 PolarHBondContact O-N 2.92Å; I61-Q64 WeakPolarHBondContact O-CG 3.34Å; I61-Q64 PolarHBondContact O-NE2 2.82Å
62A95.6Very high94.5Very high10 Ų1050 Ų508%0.08329%0.293CS..SBendtrans-69.9154.517100000112.2V16V16-A62 WeakPolarHBondContact CG1-O 3.48Å
63P97.5Very high94.6Very high2 Ų249.6 Ų49.61%0.01329%0.29CS..  cis-79152.6-1.132.9-35000113.7Y6 R19 Q20 I23Y6-P63 WeakPolarHBondContact O-CA 3.36Å; R19-P63 HydrophobicContact CB-CG 4.28Å; Q20-P63 HydrophobicContact CG-CB 3.94Å; Q20-P63 HydrophobicContact CG-CG 4.2Å; I23-P63 HydrophobicContact CD1-CB 3.91Å; I23-P63 HydrophobicContact CD1-CG 3.39Å; I23-P63 HydrophobicContact CG1-CG 4.29Å
64Q98Very high94.7Very high4 Ų451.6 Ų51.62%0.01930%0.301CS..EExtended strand (participates in β ladder)trans-135138175.2-63.7-66.8-26.900110Y6 M49 L53 I61 F66 Y71Y6-Q64 PolarHBondContact N-O 3.13Å; Y6-Q64 PolarHBondContact O-N 2.84Å; Y6-Q64 VanDerWaalsContact O-N 3.12Å; M49-Q64 HydrophobicContact CG-CB 4.28Å; M49-Q64 HydrophobicContact CG-CG 4.41Å; M49-Q64 HydrophobicContact SD-CB 4.14Å; M49-Q64 HydrophobicContact SD-CG 4.01Å; L53-Q64 HydrophobicContact CD1-CG 3.99Å; L53-Q64 HydrophobicContact CD2-CG 3.99Å; I61-Q64 WeakPolarHBondContact O-CG 3.34Å; I61-Q64 PolarHBondContact O-NE2 2.82Å; Q64-F66 HydrophobicContact CB-CE2 3.93Å; Q64-Y71 PolarHBondContact OE1-OH 2.92Å
65L98.2Very high94.8Very high0 Ų045.9 Ų45.90%027%0.273CS..EExtended strand (participates in β ladder)trans-111.6138.5-173.9-70.286.5000111.8V3 D4 I23 L72 G73 F78 F90 L91V3-L65 HydrophobicContact CG1-CD2 3.95Å; D4-L65 WeakPolarHBondContact O-CA 3.33Å; I23-L65 HydrophobicContact CD1-CD1 3.6Å; I23-L65 HydrophobicContact CG2-CD1 4.24Å; I23-L65 HydrophobicContact CG2-CD2 4.03Å; I23-L65 HydrophobicContact CG2-CG 4.46Å; L65-L72 HydrophobicContact CB-CB 4.09Å; L65-L72 HydrophobicContact CB-CD1 4.25Å; L65-L72 WeakPolarHBondContact O-CB 3.4Å; L65-L72 PolarHBondContact O-N 3.37Å; L65-G73 PolarHBondContact N-O 3.36Å; L65-F78 HydrophobicContact CD1-CB 4.5Å; L65-F78 HydrophobicContact CD1-CD2 4.44Å; L65-F78 HydrophobicContact CD2-CD2 3.59Å; L65-F78 HydrophobicContact CD2-CE2 3.92Å; L65-F90 HydrophobicContact CD2-CE1 4.43Å; L65-L91 HydrophobicContact CD2-CD2 3.85Å
66F97.3Very high94.9Very high0 Ų043.3 Ų43.30%026%0.263CS..EExtended strand (participates in β ladder)trans-136.2157178.7-67.7-99.1000111.2D4 Y6 F48 M49 A52 Q64 E70 Y71D4-F66 HydrophobicContact CB-CB 4.24Å; D4-F66 PolarHBondContact N-O 2.55Å; D4-F66 PolarHBondContact O-N 2.92Å; Y6-F66 AromaticContact CD2-CD2 3.48Å; Y6-F66 HydrophobicContact CD2-CD2 3.48Å; Y6-F66 VanDerWaalsContact CD2-CD2 3.48Å; Y6-F66 AromaticContact CD2-CE2 3.92Å; Y6-F66 HydrophobicContact CD2-CE2 3.92Å; Y6-F66 HydrophobicContact CD2-CG 4.42Å; Y6-F66 HydrophobicContact CE2-CB 4.35Å; Y6-F66 AromaticContact CE2-CD2 3.64Å; Y6-F66 HydrophobicContact CE2-CD2 3.64Å; Y6-F66 HydrophobicContact CE2-CE2 4.23Å; Y6-F66 HydrophobicContact CE2-CG 4.18Å; Y6-F66 HydrophobicContact CG-CD2 4.45Å; F48-F66 AromaticContact CE1-CD1 3.86Å; F48-F66 HydrophobicContact CE1-CD1 3.86Å; F48-F66 HydrophobicContact CE1-CD2 4.44Å; F48-F66 AromaticContact CE1-CE1 3.92Å; F48-F66 HydrophobicContact CE1-CE1 3.92Å; F48-F66 HydrophobicContact CE1-CE2 4.48Å; F48-F66 HydrophobicContact CE1-CG 4.14Å; F48-F66 HydrophobicContact CE1-CZ 4.22Å; F48-F66 HydrophobicContact CZ-CD1 4.05Å; F48-F66 HydrophobicContact CZ-CE1 4.21Å; M49-F66 HydrophobicContact CG-CE2 4.29Å; A52-F66 HydrophobicContact CB-CE1 3.55Å; A52-F66 HydrophobicContact CB-CZ 3.75Å; Q64-F66 HydrophobicContact CB-CE2 3.93Å; F66-E70 CarbonylContact C-O 3.51Å; F66-E70 WeakPolarHBondContact CA-O 3.21Å; F66-Y71 HydrophobicContact CD1-CD2 4.21Å; F66-Y71 AromaticContact CE1-CD2 3.62Å; F66-Y71 HydrophobicContact CE1-CD2 3.62Å; F66-Y71 HydrophobicContact CE1-CG 4.22Å; F66-Y71 HydrophobicContact CE2-CD2 4.01Å; F66-Y71 HydrophobicContact CE2-CE2 4.41Å; F66-Y71 AromaticContact CZ-CD2 3.51Å; F66-Y71 HydrophobicContact CZ-CD2 3.51Å; F66-Y71 HydrophobicContact CZ-CE2 4.17Å; F66-Y71 HydrophobicContact CZ-CG 4.49Å
67L95.1Very high95.1Very high7 Ų742.3 Ų42.34%0.03726%0.256CS..EExtended strand (participates in β ladder)trans-120.489166.7-172.260000108.5M1 V2 S69 E70 L72 K92 R98M1-L67 HydrophobicContact CB-CD1 4.29Å; V2-L67 WeakPolarHBondContact O-CD1 3.39Å; L67-S69 PolarHBondContact O-N 3.48Å; L67-E70 PolarHBondContact N-O 2.83Å; L67-E70 WeakPolarHBondContact O-CB 3.48Å; L67-E70 PolarHBondContact O-N 3.12Å; L67-L72 HydrophobicContact CB-CD1 4.1Å; L67-L72 HydrophobicContact CB-CD2 4.01Å; L67-L72 HydrophobicContact CB-CG 4.24Å; L67-K92 HydrophobicContact CD2-CB 3.92Å; L67-R98 VanDerWaalsContact CG-NH2 3.29Å
68G91.9Very high95.4Very high42 Ų4239 Ų3943%0.43322%0.221SC..THydrogen-bonded Turntrans65.1-122-16600000110.4E70G68-E70 VanDerWaalsContact C-N 3.32Å
69S92Very high95.6Very high105 Ų10537 Ų3773%0.73421%0.214SC*.THydrogen-bonded Turntrans-84-5.2177.562.50000114.3L67L67-S69 PolarHBondContact O-N 3.48Å
70E93.9Very high96.1Very high66 Ų6638.1 Ų38.131%0.30821%0.212SC..EExtended strand (participates in β ladder)trans-89.7122.2-173.2-177.1170.3-154.200110.9F66 L67 G68 K92 R98F66-E70 CarbonylContact C-O 3.51Å; F66-E70 WeakPolarHBondContact CA-O 3.21Å; L67-E70 PolarHBondContact N-O 2.83Å; L67-E70 WeakPolarHBondContact O-CB 3.48Å; L67-E70 PolarHBondContact O-N 3.12Å; G68-E70 VanDerWaalsContact C-N 3.32Å; E70-K92 IonicContact OE1-NZ 2.77Å; E70-K92 PolarHBondContact OE1-NZ 3.41Å; E70-R98 IonicContact OE2-NH1 2.56Å; E70-R98 PolarHBondContact OE2-NH1 3.21Å; E70-R98 VanDerWaalsContact OE2-NH1 3.15Å; E70-R98 IonicContact OE2-NH2 3.15Å
71Y96.3Very high96.4Very high28 Ų2835.2 Ų35.211%0.1120%0.195CC..EExtended strand (participates in β ladder)trans-71.5130.9175.1-177.6-112.2000111.2L53 N56 K58 Q64 F66 G73 D74L53-Y71 HydrophobicContact CD2-CD2 4.33Å; L53-Y71 HydrophobicContact CD2-CE2 3.61Å; N56-Y71 HydrophobicContact CB-CD1 4.25Å; K58-Y71 HydrophobicContact CD-CE1 4.01Å; K58-Y71 HydrophobicContact CG-CE1 3.77Å; Q64-Y71 PolarHBondContact OE1-OH 2.92Å; F66-Y71 HydrophobicContact CD1-CD2 4.21Å; F66-Y71 AromaticContact CE1-CD2 3.62Å; F66-Y71 HydrophobicContact CE1-CD2 3.62Å; F66-Y71 HydrophobicContact CE1-CG 4.22Å; F66-Y71 HydrophobicContact CE2-CD2 4.01Å; F66-Y71 HydrophobicContact CE2-CE2 4.41Å; F66-Y71 AromaticContact CZ-CD2 3.51Å; F66-Y71 HydrophobicContact CZ-CD2 3.51Å; F66-Y71 HydrophobicContact CZ-CE2 4.17Å; F66-Y71 HydrophobicContact CZ-CG 4.49Å; Y71-G73 VanDerWaalsContact CZ-CA 3.43Å; Y71-G73 VanDerWaalsContact OH-C 3.31Å; Y71-G73 WeakPolarHBondContact OH-CA 3.49Å; Y71-D74 PolarHBondContact OH-N 3.19Å
72L97Very high96.6Very high15 Ų1533.3 Ų33.38%0.07919%0.185CC..EExtended strand (participates in β ladder)trans-102.3-45.4178.3-58.3176.9000111.9V3 L65 L67 F90 L91 K92V3-L72 HydrophobicContact CG1-CD1 4.31Å; L65-L72 HydrophobicContact CB-CB 4.09Å; L65-L72 HydrophobicContact CB-CD1 4.25Å; L65-L72 WeakPolarHBondContact O-CB 3.4Å; L65-L72 PolarHBondContact O-N 3.37Å; L67-L72 HydrophobicContact CB-CD1 4.1Å; L67-L72 HydrophobicContact CB-CD2 4.01Å; L67-L72 HydrophobicContact CB-CG 4.24Å; L72-F90 HydrophobicContact CB-CE1 4.29Å; L72-F90 HydrophobicContact CB-CZ 4.17Å; L72-F90 WeakPolarHBondContact O-CE2 3.37Å; L72-F90 WeakPolarHBondContact O-CZ 3.29Å; L72-L91 HydrophobicContact CD1-CD2 3.94Å; L72-K92 HydrophobicContact CD2-CD 4.02Å; L72-K92 HydrophobicContact CD2-CG 4.06Å
73G97.4Very high96.6Very high0 Ų039.5 Ų39.50%021%0.213CC..EExtended strand (participates in β ladder)trans154.8175.9-179.400000113.9L65 Y71 E77L65-G73 PolarHBondContact N-O 3.36Å; Y71-G73 VanDerWaalsContact CZ-CA 3.43Å; Y71-G73 VanDerWaalsContact OH-C 3.31Å; Y71-G73 WeakPolarHBondContact OH-CA 3.49Å; G73-E77 WeakPolarHBondContact CA-OE2 3.23Å
74D97.2Very high96.6Very high41 Ų4143.6 Ų43.622%0.21924%0.235CC..EExtended strand (participates in β ladder)trans-90.8-170.6174.871.326000112.9Y71 D76 E77 F78Y71-D74 PolarHBondContact OH-N 3.19Å; D74-D76 WeakPolarHBondContact OD1-CA 3.45Å; D74-D76 PolarHBondContact OD1-N 2.91Å; D74-E77 PolarHBondContact N-OE2 3.42Å; D74-E77 PolarHBondContact OD1-N 2.96Å; D74-F78 VanDerWaalsContact O-CB 3.29Å; D74-F78 WeakPolarHBondContact O-CB 3.47Å; D74-F78 PolarHBondContact O-N 3.49Å
75Y97.5Very high96.5Very high39 Ų3952.4 Ų52.415%0.15328%0.276CS..Hα-helixtrans-60.2-42.9176.4171.6-91.6000114.3R19 Y22 I23 F78 I79R19-Y75 HydrophobicContact CB-CD1 4.39Å; R19-Y75 HydrophobicContact CB-CD2 3.45Å; R19-Y75 VanDerWaalsContact CB-CD2 3.45Å; R19-Y75 HydrophobicContact CB-CE2 3.71Å; R19-Y75 HydrophobicContact CB-CG 3.8Å; R19-Y75 HydrophobicContact CG-CD1 3.73Å; R19-Y75 HydrophobicContact CG-CD2 3.62Å; R19-Y75 HydrophobicContact CG-CE1 3.71Å; R19-Y75 HydrophobicContact CG-CE2 3.58Å; R19-Y75 HydrophobicContact CG-CG 3.66Å; R19-Y75 VanDerWaalsContact CZ-CD1 3.48Å; Y22-Y75 AromaticContact CD1-CE2 3.81Å; Y22-Y75 HydrophobicContact CD1-CE2 3.81Å; Y22-Y75 HydrophobicContact CG-CE2 4.09Å; I23-Y75 HydrophobicContact CD1-CD2 4.01Å; I23-Y75 HydrophobicContact CG1-CD2 4Å; Y75-F78 PolarHBondContact O-N 3.24Å; Y75-I79 HydrophobicContact CD1-CD1 4.31Å; Y75-I79 HydrophobicContact CD2-CD1 4.42Å; Y75-I79 HydrophobicContact CD2-CG1 4.48Å; Y75-I79 HydrophobicContact CE1-CD1 3.45Å; Y75-I79 VanDerWaalsContact CE1-CD1 3.45Å; Y75-I79 HydrophobicContact CE1-CG1 4.14Å; Y75-I79 HydrophobicContact CE2-CD1 3.6Å; Y75-I79 HydrophobicContact CE2-CG1 4.06Å; Y75-I79 PolarHBondContact O-N 2.83Å; Y75-I79 WeakPolarHBondContact OH-CD1 3.13Å
76D96.9Very high96.4Very high80 Ų8056.3 Ų56.343%0.42830%0.295SS..Hα-helixtrans-72.3-37.6-173.8-68.8-47000109.2R19 D74 I79 Q80R19-D76 IonicContact CZ-OD1 2.78Å; R19-D76 IonicContact CZ-OD2 3.02Å; R19-D76 IonicContact NH1-OD1 2.82Å; R19-D76 IonicContact NH1-OD2 3.55Å; R19-D76 PolarHBondContact NH1-OD2 3.41Å; R19-D76 IonicContact NH2-OD1 3.98Å; R19-D76 PolarHBondContact NH2-OD1 3.42Å; R19-D76 IonicContact NH2-OD2 3.21Å; R19-D76 PolarHBondContact NH2-OD2 3.02Å; D74-D76 WeakPolarHBondContact OD1-CA 3.45Å; D74-D76 PolarHBondContact OD1-N 2.91Å; D76-I79 PolarHBondContact O-N 3.24Å; D76-Q80 WeakPolarHBondContact O-CB 3.4Å; D76-Q80 PolarHBondContact O-N 3.34Å
77E97.8Very high96.4Very high62 Ų6257.2 Ų57.229%0.2930%0.3SS..Hα-helixtrans-64.2-43.7170.9-67.4170.5113.900112.4K58 G73 D74 I79 Q80 A81 F90K58-E77 IonicContact NZ-OE1 3.88Å; K58-E77 PolarHBondContact NZ-OE1 2.95Å; K58-E77 IonicContact NZ-OE2 2.69Å; K58-E77 PolarHBondContact NZ-OE2 3.16Å; G73-E77 WeakPolarHBondContact CA-OE2 3.23Å; D74-E77 PolarHBondContact N-OE2 3.42Å; D74-E77 PolarHBondContact OD1-N 2.96Å; E77-I79 PolarHBondContact O-N 3.39Å; E77-Q80 PolarHBondContact O-N 3.47Å; E77-A81 PolarHBondContact O-N 2.96Å; E77-F90 HydrophobicContact CB-CE2 3.9Å; E77-F90 HydrophobicContact CB-CZ 4.28Å
78F98.3Very high96.3Very high0 Ų061 Ų610%032%0.319CS..Hα-helixtrans-60.2-45176.4177.7-88.1000112.3Y22 I23 I26 L27 L65 D74 Y75 A81 N82 L87 F90 L91Y22-F78 HydrophobicContact CE1-CE1 4.42Å; I23-F78 HydrophobicContact CB-CE1 4.38Å; I23-F78 HydrophobicContact CD1-CB 4.23Å; I23-F78 HydrophobicContact CD1-CD1 4.24Å; I23-F78 HydrophobicContact CD1-CG 4.14Å; I23-F78 HydrophobicContact CG1-CD1 3.79Å; I23-F78 HydrophobicContact CG1-CE1 4.04Å; I23-F78 HydrophobicContact CG1-CG 4.16Å; I23-F78 HydrophobicContact CG2-CD2 4.33Å; I23-F78 HydrophobicContact CG2-CE1 4.34Å; I23-F78 HydrophobicContact CG2-CE2 4.03Å; I23-F78 HydrophobicContact CG2-CZ 4.04Å; I26-F78 HydrophobicContact CB-CE1 3.91Å; I26-F78 HydrophobicContact CB-CZ 3.89Å; I26-F78 HydrophobicContact CG1-CE1 4.2Å; I26-F78 HydrophobicContact CG2-CE1 3.88Å; I26-F78 HydrophobicContact CG2-CZ 3.66Å; L27-F78 HydrophobicContact CD2-CE2 3.97Å; L27-F78 HydrophobicContact CD2-CZ 4.27Å; L27-F78 HydrophobicContact CG-CE2 4.27Å; L27-F78 HydrophobicContact CG-CZ 4.27Å; L65-F78 HydrophobicContact CD1-CB 4.5Å; L65-F78 HydrophobicContact CD1-CD2 4.44Å; L65-F78 HydrophobicContact CD2-CD2 3.59Å; L65-F78 HydrophobicContact CD2-CE2 3.92Å; D74-F78 VanDerWaalsContact O-CB 3.29Å; D74-F78 WeakPolarHBondContact O-CB 3.47Å; D74-F78 PolarHBondContact O-N 3.49Å; Y75-F78 PolarHBondContact O-N 3.24Å; F78-A81 PolarHBondContact O-N 2.63Å; F78-N82 WeakPolarHBondContact O-CB 3.45Å; F78-N82 PolarHBondContact O-N 3.42Å; F78-L87 HydrophobicContact CD2-CD1 4Å; F78-L87 HydrophobicContact CE2-CD1 3.49Å; F78-L87 VanDerWaalsContact CE2-CD1 3.49Å; F78-L87 HydrophobicContact CZ-CD1 3.8Å; F78-F90 HydrophobicContact CB-CE1 4.11Å; F78-F90 HydrophobicContact CB-CZ 4.32Å; F78-F90 HydrophobicContact CD2-CD1 4.3Å; F78-F90 AromaticContact CD2-CE1 3.88Å; F78-F90 HydrophobicContact CD2-CE1 3.88Å; F78-F90 HydrophobicContact CG-CE1 4.48Å; F78-L91 HydrophobicContact CE2-CD2 4.44Å
79I97.5Very high96.5Very high23 Ų2364.8 Ų64.812%0.11833%0.326CS..Hα-helixtrans-63.6-46.5177.7-78.9-160.9000110.9Y22 Y75 D76 E77 A81 N82 E83Y22-I79 HydrophobicContact CD1-CD1 4.13Å; Y22-I79 HydrophobicContact CD1-CG1 4.23Å; Y22-I79 HydrophobicContact CE1-CD1 3.73Å; Y22-I79 HydrophobicContact CE1-CG1 3.7Å; Y75-I79 HydrophobicContact CD1-CD1 4.31Å; Y75-I79 HydrophobicContact CD2-CD1 4.42Å; Y75-I79 HydrophobicContact CD2-CG1 4.48Å; Y75-I79 HydrophobicContact CE1-CD1 3.45Å; Y75-I79 VanDerWaalsContact CE1-CD1 3.45Å; Y75-I79 HydrophobicContact CE1-CG1 4.14Å; Y75-I79 HydrophobicContact CE2-CD1 3.6Å; Y75-I79 HydrophobicContact CE2-CG1 4.06Å; Y75-I79 PolarHBondContact O-N 2.83Å; Y75-I79 WeakPolarHBondContact OH-CD1 3.13Å; D76-I79 PolarHBondContact O-N 3.24Å; E77-I79 PolarHBondContact O-N 3.39Å; I79-A81 VanDerWaalsContact C-N 3.25Å; I79-A81 PolarHBondContact O-N 2.68Å; I79-N82 PolarHBondContact O-N 2.93Å; I79-N82 VanDerWaalsContact O-N 3.09Å; I79-E83 VanDerWaalsContact CG2-CD 3.46Å; I79-E83 HydrophobicContact CG2-CG 3.97Å; I79-E83 WeakPolarHBondContact O-CB 3.25Å; I79-E83 WeakPolarHBondContact O-CG 3.47Å; I79-E83 PolarHBondContact O-N 3.46Å
80Q98.1Very high96.7Very high121 Ų12161.5 Ų61.557%0.56530%0.298SS*.Hα-helixtrans-57.4-43.4178-175.3-179-33.600110.7D76 E77 E83 N84D76-Q80 WeakPolarHBondContact O-CB 3.4Å; D76-Q80 PolarHBondContact O-N 3.34Å; E77-Q80 PolarHBondContact O-N 3.47Å; Q80-E83 PolarHBondContact O-N 2.91Å; Q80-N84 WeakPolarHBondContact CG-ND2 3.47Å; Q80-N84 WeakPolarHBondContact O-CB 3.07Å; Q80-N84 PolarHBondContact O-N 3.4Å; Q80-N84 VanDerWaalsContact O-N 3.1Å; Q80-N84 PolarHBondContact O-ND2 2.9Å
81A98Very high96.8Very high6 Ų658.3 Ų58.35%0.0528%0.284CS..Hα-helixtrans-62.5-43.2175.900000112.5E77 F78 I79 N84 E85 M86 L87 F90E77-A81 PolarHBondContact O-N 2.96Å; F78-A81 PolarHBondContact O-N 2.63Å; I79-A81 VanDerWaalsContact C-N 3.25Å; I79-A81 PolarHBondContact O-N 2.68Å; A81-N84 PolarHBondContact O-N 3.07Å; A81-E85 PolarHBondContact O-N 2.89Å; A81-M86 CarbonylContact O-C 3.54Å; A81-M86 WeakPolarHBondContact O-CA 3.46Å; A81-M86 PolarHBondContact O-N 2.95Å; A81-L87 PolarHBondContact O-N 3.44Å; A81-F90 HydrophobicContact CB-CB 3.38Å; A81-F90 HydrophobicContact CB-CD1 4.17Å; A81-F90 HydrophobicContact CB-CD2 3.98Å; A81-F90 HydrophobicContact CB-CG 3.57Å
82N96.9Very high96.7Very high48 Ų4861 Ų6126%0.25730%0.296SS..Hα-helixtrans-65.1-43.6178.3-177.475000112.6F78 I79 N84 E85 L87F78-N82 WeakPolarHBondContact O-CB 3.45Å; F78-N82 PolarHBondContact O-N 3.42Å; I79-N82 PolarHBondContact O-N 2.93Å; I79-N82 VanDerWaalsContact O-N 3.09Å; N82-N84 VanDerWaalsContact C-N 3.27Å; N82-N84 PolarHBondContact O-N 3.4Å; N82-E85 PolarHBondContact O-N 3.32Å; N82-L87 HydrophobicContact CB-CD1 4.49Å
83E96.8Very high96.3Very high140 Ų14062.9 Ų62.965%0.65431%0.306SS*.Hα-helixtrans-67.3-27.7179.5-71.8-180158.300112.8I79 Q80I79-E83 VanDerWaalsContact CG2-CD 3.46Å; I79-E83 HydrophobicContact CG2-CG 3.97Å; I79-E83 WeakPolarHBondContact O-CB 3.25Å; I79-E83 WeakPolarHBondContact O-CG 3.47Å; I79-E83 PolarHBondContact O-N 3.46Å; Q80-E83 PolarHBondContact O-N 2.91Å
84N97.8Very high95.5Very high89 Ų8967.5 Ų67.548%0.47633%0.33SS..THydrogen-bonded Turntrans-95.513.2177.2-68-70.2000113.5Q80 A81 N82 M86Q80-N84 WeakPolarHBondContact CG-ND2 3.47Å; Q80-N84 WeakPolarHBondContact O-CB 3.07Å; Q80-N84 PolarHBondContact O-N 3.4Å; Q80-N84 VanDerWaalsContact O-N 3.1Å; Q80-N84 PolarHBondContact O-ND2 2.9Å; A81-N84 PolarHBondContact O-N 3.07Å; N82-N84 VanDerWaalsContact C-N 3.27Å; N82-N84 PolarHBondContact O-N 3.4Å; N84-M86 HydrophobicContact CB-CE 3.66Å; N84-M86 HydrophobicContact CB-CG 4.3Å; N84-M86 WeakPolarHBondContact O-CG 3.34Å; N84-M86 PolarHBondContact O-N 3.46Å; N84-M86 VanDerWaalsContact O-N 3.1Å
85E95Very high94.1Very high189 Ų18969.5 Ų69.588%0.88334%0.341SS*.THydrogen-bonded Turntrans59.519-177.6-53.5-178133.900114.4A81 N82A81-E85 PolarHBondContact O-N 2.89Å; N82-E85 PolarHBondContact O-N 3.32Å
86M96.3Very high92.2Very high82 Ų8272.9 Ų72.940%0.40437%0.37SS..  trans-100.617.6-179.2-63.1-170-65.200112.9A81 N84 L88 E89 F90A81-M86 CarbonylContact O-C 3.54Å; A81-M86 WeakPolarHBondContact O-CA 3.46Å; A81-M86 PolarHBondContact O-N 2.95Å; N84-M86 HydrophobicContact CB-CE 3.66Å; N84-M86 HydrophobicContact CB-CG 4.3Å; N84-M86 WeakPolarHBondContact O-CG 3.34Å; N84-M86 PolarHBondContact O-N 3.46Å; N84-M86 VanDerWaalsContact O-N 3.1Å; M86-L88 PolarHBondContact O-N 3.44Å; M86-E89 WeakPolarHBondContact O-CB 3.44Å; M86-E89 PolarHBondContact O-N 3.09Å; M86-E89 VanDerWaalsContact O-N 3.15Å; M86-F90 WeakPolarHBondContact O-CB 3.45Å; M86-F90 PolarHBondContact O-N 3.32Å
87L95.9Very high90.3Very high18 Ų1873 Ų739%0.09438%0.377CS..Hα-helixtrans-57.8-45.6-173.3-178.160.9000113I26 I32 F78 A81 N82 E89 F90 L91I26-L87 HydrophobicContact CG2-CD2 3.92Å; I32-L87 HydrophobicContact CD1-CD2 4.13Å; I32-L87 HydrophobicContact CD1-CG 4.43Å; F78-L87 HydrophobicContact CD2-CD1 4Å; F78-L87 HydrophobicContact CE2-CD1 3.49Å; F78-L87 VanDerWaalsContact CE2-CD1 3.49Å; F78-L87 HydrophobicContact CZ-CD1 3.8Å; A81-L87 PolarHBondContact O-N 3.44Å; N82-L87 HydrophobicContact CB-CD1 4.49Å; L87-E89 VanDerWaalsContact C-N 3.31Å; L87-E89 PolarHBondContact O-N 3.39Å; L87-F90 PolarHBondContact O-N 3.33Å; L87-L91 HydrophobicContact CD1-CD1 3.81Å; L87-L91 HydrophobicContact CD1-CG 4.12Å; L87-L91 HydrophobicContact CG-CD1 3.94Å; L87-L91 WeakPolarHBondContact O-CB 3.4Å; L87-L91 VanDerWaalsContact O-CG 3.24Å; L87-L91 WeakPolarHBondContact O-CG 3.29Å; L87-L91 PolarHBondContact O-N 3.06Å
88L94.5Very high88.3Confident86 Ų8673.6 Ų73.645%0.4538%0.377SS..Hα-helixtrans-69.4-30.3-179.8-63.2178.2000112.6I32 M86 K92 L93 N94I32-L88 HydrophobicContact CD1-CD2 3.9Å; I32-L88 HydrophobicContact CG1-CD2 4.46Å; M86-L88 PolarHBondContact O-N 3.44Å; L88-K92 PolarHBondContact O-N 3.47Å; L88-K92 VanDerWaalsContact O-N 3.14Å; L88-L93 HydrophobicContact CD2-CB 4.33Å; L88-L93 HydrophobicContact CD2-CD1 4.32Å; L88-L93 PolarHBondContact O-N 3.11Å; L88-N94 WeakPolarHBondContact CB-OD1 3.13Å
89E94.9Very high86.2Confident122 Ų12277.8 Ų77.857%0.5741%0.411SS*.Hα-helixtrans-69.6-48.1174.2-172.5174.2104.200110.7M86 L87 L91 K92 N94M86-E89 WeakPolarHBondContact O-CB 3.44Å; M86-E89 PolarHBondContact O-N 3.09Å; M86-E89 VanDerWaalsContact O-N 3.15Å; L87-E89 VanDerWaalsContact C-N 3.31Å; L87-E89 PolarHBondContact O-N 3.39Å; E89-L91 VanDerWaalsContact C-N 3.28Å; E89-L91 PolarHBondContact O-N 3.25Å; E89-K92 WeakPolarHBondContact O-CA 3.5Å; E89-K92 PolarHBondContact O-N 3.07Å; E89-N94 VanDerWaalsContact CA-ND2 3.35Å; E89-N94 WeakPolarHBondContact CA-ND2 3.38Å; E89-N94 WeakPolarHBondContact CB-ND2 3.37Å; E89-N94 PolarHBondContact N-ND2 3.11Å
90F96.7Very high83.9Confident36 Ų3681.8 Ų81.816%0.15844%0.441CS..Hα-helixtrans-56.6-43.1175.5172.1-96.6000112L65 L72 E77 F78 A81 M86 L87 K92L65-F90 HydrophobicContact CD2-CE1 4.43Å; L72-F90 HydrophobicContact CB-CE1 4.29Å; L72-F90 HydrophobicContact CB-CZ 4.17Å; L72-F90 WeakPolarHBondContact O-CE2 3.37Å; L72-F90 WeakPolarHBondContact O-CZ 3.29Å; E77-F90 HydrophobicContact CB-CE2 3.9Å; E77-F90 HydrophobicContact CB-CZ 4.28Å; F78-F90 HydrophobicContact CB-CE1 4.11Å; F78-F90 HydrophobicContact CB-CZ 4.32Å; F78-F90 HydrophobicContact CD2-CD1 4.3Å; F78-F90 AromaticContact CD2-CE1 3.88Å; F78-F90 HydrophobicContact CD2-CE1 3.88Å; F78-F90 HydrophobicContact CG-CE1 4.48Å; A81-F90 HydrophobicContact CB-CB 3.38Å; A81-F90 HydrophobicContact CB-CD1 4.17Å; A81-F90 HydrophobicContact CB-CD2 3.98Å; A81-F90 HydrophobicContact CB-CG 3.57Å; M86-F90 WeakPolarHBondContact O-CB 3.45Å; M86-F90 PolarHBondContact O-N 3.32Å; L87-F90 PolarHBondContact O-N 3.33Å; F90-K92 PolarHBondContact O-N 2.89Å
91L96.1Very high81.7Confident0 Ų080.2 Ų80.20%044%0.444CS..THydrogen-bonded Turntrans-78.9-0.5177.2-61.8175.4000113.7V3 L27 I32 L65 L72 F78 L87 E89 L93V3-L91 HydrophobicContact CG1-CD2 4.13Å; V3-L91 HydrophobicContact CG2-CB 4.39Å; V3-L91 HydrophobicContact CG2-CD2 4.14Å; L27-L91 HydrophobicContact CD2-CD1 3.64Å; I32-L91 HydrophobicContact CD1-CD1 3.59Å; I32-L91 HydrophobicContact CG2-CD1 4.25Å; L65-L91 HydrophobicContact CD2-CD2 3.85Å; L72-L91 HydrophobicContact CD1-CD2 3.94Å; F78-L91 HydrophobicContact CE2-CD2 4.44Å; L87-L91 HydrophobicContact CD1-CD1 3.81Å; L87-L91 HydrophobicContact CD1-CG 4.12Å; L87-L91 HydrophobicContact CG-CD1 3.94Å; L87-L91 WeakPolarHBondContact O-CB 3.4Å; L87-L91 VanDerWaalsContact O-CG 3.24Å; L87-L91 WeakPolarHBondContact O-CG 3.29Å; L87-L91 PolarHBondContact O-N 3.06Å; E89-L91 VanDerWaalsContact C-N 3.28Å; E89-L91 PolarHBondContact O-N 3.25Å; L91-L93 HydrophobicContact CB-CD1 3.91Å; L91-L93 HydrophobicContact CB-CG 3.88Å; L91-L93 HydrophobicContact CD1-CD1 4.26Å; L91-L93 PolarHBondContact O-N 3.1Å
92K93.7Very high79.3Confident85 Ų8586.5 Ų86.537%0.3748%0.476SS..THydrogen-bonded Turntrans55.635.2-178.8-53.7-172.8-177.2-166.60113.5L67 E70 L72 L88 E89 F90L67-K92 HydrophobicContact CD2-CB 3.92Å; E70-K92 IonicContact OE1-NZ 2.77Å; E70-K92 PolarHBondContact OE1-NZ 3.41Å; L72-K92 HydrophobicContact CD2-CD 4.02Å; L72-K92 HydrophobicContact CD2-CG 4.06Å; L88-K92 PolarHBondContact O-N 3.47Å; L88-K92 VanDerWaalsContact O-N 3.14Å; E89-K92 WeakPolarHBondContact O-CA 3.5Å; E89-K92 PolarHBondContact O-N 3.07Å; F90-K92 PolarHBondContact O-N 2.89Å
93L89.2Confident76.8Confident54 Ų5493.3 Ų93.328%0.28351%0.506SS..  trans-97.3-7.2179.6-61.1178000113.3I32 L88 L91 D95I32-L93 HydrophobicContact CD1-CD1 4.34Å; I32-L93 HydrophobicContact CG1-CD1 4.39Å; I32-L93 HydrophobicContact CG2-CD1 3.5Å; I32-L93 VanDerWaalsContact CG2-CD1 3.5Å; L88-L93 HydrophobicContact CD2-CB 4.33Å; L88-L93 HydrophobicContact CD2-CD1 4.32Å; L88-L93 PolarHBondContact O-N 3.11Å; L91-L93 HydrophobicContact CB-CD1 3.91Å; L91-L93 HydrophobicContact CB-CG 3.88Å; L91-L93 HydrophobicContact CD1-CD1 4.26Å; L91-L93 PolarHBondContact O-N 3.1Å; L93-D95 PolarHBondContact O-N 3.16Å
94N80.5Confident74.2Confident96 Ų9692 Ų9251%0.51351%0.508SS..SBendtrans-65.4-23.6175.3-73.2-15.9000112.8L88 E89 S96L88-N94 WeakPolarHBondContact CB-OD1 3.13Å; E89-N94 VanDerWaalsContact CA-ND2 3.35Å; E89-N94 WeakPolarHBondContact CA-ND2 3.38Å; E89-N94 WeakPolarHBondContact CB-ND2 3.37Å; E89-N94 PolarHBondContact N-ND2 3.11Å; N94-S96 PolarHBondContact O-N 2.63Å; N94-S96 VanDerWaalsContact O-N 3.13Å
95D66.9Low71.7Confident84 Ų8497.2 Ų97.245%0.44953%0.529SS..  trans-84.489.1-179.9-165.9-3.4000111.2L93 S97 R98L93-D95 PolarHBondContact O-N 3.16Å; D95-S97 PolarHBondContact O-N 3.08Å; D95-S97 VanDerWaalsContact O-N 3.11Å; D95-S97 WeakPolarHBondContact OD1-CA 3.18Å; D95-S97 WeakPolarHBondContact OD1-CB 2.87Å; D95-S97 PolarHBondContact OD1-N 3.03Å; D95-S97 PolarHBondContact OD1-OG 3.03Å; D95-S97 PolarHBondContact OD2-OG 3.34Å; D95-R98 PolarHBondContact O-N 3.05Å
96S58.9Low69Low109 Ų10997.5 Ų97.576%0.76255%0.552SS**G310 helixtrans-59.3-14.8170-78.20000113.3N94 R98N94-S96 PolarHBondContact O-N 2.63Å; N94-S96 VanDerWaalsContact O-N 3.13Å; S96-R98 VanDerWaalsContact C-N 3.33Å; S96-R98 PolarHBondContact O-N 2.59Å
97S57Low67.6Low82 Ų8298.3 Ų98.357%0.57356%0.56SS**G310 helixtrans-74.5-22179.980.90000113.3D95 A99D95-S97 PolarHBondContact O-N 3.08Å; D95-S97 VanDerWaalsContact O-N 3.11Å; D95-S97 WeakPolarHBondContact OD1-CA 3.18Å; D95-S97 WeakPolarHBondContact OD1-CB 2.87Å; D95-S97 PolarHBondContact OD1-N 3.03Å; D95-S97 PolarHBondContact OD1-OG 3.03Å; D95-S97 PolarHBondContact OD2-OG 3.34Å; S97-A99 VanDerWaalsContact C-N 3.33Å; S97-A99 PolarHBondContact O-N 3.35Å
98R56.2Low66.1Low76 Ų76102.5 Ų102.529%0.28758%0.584SS.*G310 helixtrans-75.5-20.5-177.4-120.317680.91699.9113.1M1 L67 E70 D95 S96 S100 S101M1-R98 HydrophobicContact CE-CB 3.54Å; M1-R98 HydrophobicContact CE-CG 3.63Å; M1-R98 WeakPolarHBondContact CE-O 3.43Å; M1-R98 HydrophobicContact SD-CB 3.69Å; M1-R98 HydrophobicContact SD-CG 4.12Å; M1-R98 PolarHBondContact SD-NE 3.5Å; L67-R98 VanDerWaalsContact CG-NH2 3.29Å; E70-R98 IonicContact OE2-NH1 2.56Å; E70-R98 PolarHBondContact OE2-NH1 3.21Å; E70-R98 VanDerWaalsContact OE2-NH1 3.15Å; E70-R98 IonicContact OE2-NH2 3.15Å; D95-R98 PolarHBondContact O-N 3.05Å; S96-R98 VanDerWaalsContact C-N 3.33Å; S96-R98 PolarHBondContact O-N 2.59Å; R98-S100 PolarHBondContact O-N 2.79Å; R98-S101 PolarHBondContact O-N 3.44Å
99A52.5Low64.6Low87 Ų87103.4 Ų103.472%0.71959%0.591SS**G310 helixtrans-57.8-19.6179.800000114.1S97S97-A99 VanDerWaalsContact C-N 3.33Å; S97-A99 PolarHBondContact O-N 3.35Å
100S50.2Low62.8Low107 Ų107102.3 Ų102.375%0.74859%0.593SS**G310 helixtrans-92-0.5-173.1-163.30000116R98R98-S100 PolarHBondContact O-N 2.79Å
101S51Low60.6Low89 Ų89106.4 Ų106.462%0.62262%0.62SS**SBendtrans-100.28.8-171.1-60.60000116.3R98R98-S101 PolarHBondContact O-N 3.44Å
102L47.7Very low58.3Low138 Ų138113.5 Ų113.572%0.72366%0.661SS**  trans-122.253.7177.5-76.3159.1000111.2
103E44.8Very low55.8Low190 Ų190115.6 Ų115.689%0.88868%0.682SS**  trans-133.752.4158.4-75.7-166116.600109.8
104T42.3Very low53.2Low112 Ų112120.3 Ų120.369%0.68771%0.713SS**  trans-147.2100.6155.855.90000103.6
105E45Very low50.9Low199 Ų199122.3 Ų122.393%0.9373%0.729SS**  -147.4128.996-85.4163.9120.300109.6
106S38.4Very low49.5Very low195 Ų195125.8 Ų125.8100%1.36476%0.755SS**  trans-77.40176-530000112.1

Retrieved 106 of 106 residues in 27.6 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).