Q2FYG2_STAA8 Loading...

DNA-binding protein HU, putative

AlphaFold DB , UniProt , Accession Q2FYG2, Species STAA8 (Staphylococcus aureus (strain NCTC 8325 / PS 47)), Gene n/a, Length 90 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M92.8Very high97.7Very high175 Ų17567 Ų6786%0.86236%0.358SS*.  0113.80-174.2176.2-79.900108.5D5 L6 A9M1-D5 VanDerWaalsContact CA-OD2 3.23Å; M1-D5 WeakPolarHBondContact CA-OD2 3.28Å; M1-D5 HydrophobicContact CB-CB 4.29Å; M1-D5 HydrophobicContact CG-CB 3.6Å; M1-L6 HydrophobicContact CG-CB 4.38Å; M1-L6 HydrophobicContact SD-CB 4.26Å; M1-L6 HydrophobicContact SD-CD1 4.25Å; M1-A9 HydrophobicContact CE-CB 4.42Å
2N97.5Very high97.7Very high92 Ų9275.3 Ų75.349%0.49239%0.393SS..  trans-93.9-173.6169.265.541.7000110.6T4 D5 L6N2-T4 PolarHBondContact O-N 3.18Å; N2-T4 WeakPolarHBondContact OD1-CA 3.32Å; N2-T4 VanDerWaalsContact OD1-CB 3.3Å; N2-T4 WeakPolarHBondContact OD1-CB 3.3Å; N2-T4 PolarHBondContact OD1-N 3.35Å; N2-D5 VanDerWaalsContact CG-OD2 3.29Å; N2-D5 PolarHBondContact N-OD2 2.69Å; N2-D5 PolarHBondContact ND2-OD2 2.86Å; N2-D5 PolarHBondContact O-N 2.86Å; N2-D5 PolarHBondContact OD1-N 2.82Å; N2-D5 PolarHBondContact OD1-OD2 3.25Å; N2-L6 PolarHBondContact O-N 3.19Å
3K97.2Very high97.7Very high103 Ų10382.4 Ų82.445%0.44842%0.423SS..Hα-helixtrans-62-39.7179-173.2179.7177.6-1740113L6 I7 D26K3-L6 PolarHBondContact O-N 3Å; K3-I7 HydrophobicContact CG-CD1 4.12Å; K3-I7 VanDerWaalsContact O-CG1 3.31Å; K3-I7 WeakPolarHBondContact O-CG1 3.5Å; K3-I7 PolarHBondContact O-N 3.37Å; K3-D26 WeakPolarHBondContact CE-OD1 3.4Å; K3-D26 IonicContact NZ-OD1 3.29Å; K3-D26 PolarHBondContact NZ-OD1 3.36Å; K3-D26 IonicContact NZ-OD2 2.8Å
4T98Very high97.7Very high89 Ų8980.5 Ų80.555%0.54643%0.426SS..Hα-helixtrans-64.9-43.8177.2-54.30000111.3N2 L6 I7 N8N2-T4 PolarHBondContact O-N 3.18Å; N2-T4 WeakPolarHBondContact OD1-CA 3.32Å; N2-T4 VanDerWaalsContact OD1-CB 3.3Å; N2-T4 WeakPolarHBondContact OD1-CB 3.3Å; N2-T4 PolarHBondContact OD1-N 3.35Å; T4-L6 VanDerWaalsContact C-N 3.31Å; T4-L6 PolarHBondContact O-N 2.98Å; T4-I7 PolarHBondContact O-N 3.44Å; T4-N8 PolarHBondContact O-N 3.33Å; T4-N8 PolarHBondContact O-ND2 2.91Å
5D98.4Very high97.8Very high69 Ų6985.5 Ų85.537%0.36945%0.453SS..Hα-helixtrans-60.9-42175.6-57-28.7000110.8M1 N2 N8 A9M1-D5 VanDerWaalsContact CA-OD2 3.23Å; M1-D5 WeakPolarHBondContact CA-OD2 3.28Å; M1-D5 HydrophobicContact CB-CB 4.29Å; M1-D5 HydrophobicContact CG-CB 3.6Å; N2-D5 VanDerWaalsContact CG-OD2 3.29Å; N2-D5 PolarHBondContact N-OD2 2.69Å; N2-D5 PolarHBondContact ND2-OD2 2.86Å; N2-D5 PolarHBondContact O-N 2.86Å; N2-D5 PolarHBondContact OD1-N 2.82Å; N2-D5 PolarHBondContact OD1-OD2 3.25Å; D5-N8 PolarHBondContact O-N 2.94Å; D5-A9 PolarHBondContact O-N 3.07Å
6L98.3Very high97.8Very high55 Ų5584.2 Ų84.229%0.28845%0.446SS..Hα-helixtrans-62.5-45.7175.6177.263.8000111.8M1 N2 K3 T4 N8 A9 V10 V25 F29M1-L6 HydrophobicContact CG-CB 4.38Å; M1-L6 HydrophobicContact SD-CB 4.26Å; M1-L6 HydrophobicContact SD-CD1 4.25Å; N2-L6 PolarHBondContact O-N 3.19Å; K3-L6 PolarHBondContact O-N 3Å; T4-L6 VanDerWaalsContact C-N 3.31Å; T4-L6 PolarHBondContact O-N 2.98Å; L6-N8 VanDerWaalsContact C-N 3.32Å; L6-N8 PolarHBondContact O-N 3Å; L6-A9 PolarHBondContact O-N 3.4Å; L6-V10 HydrophobicContact CD1-CG2 4.15Å; L6-V10 HydrophobicContact CG-CG2 4.44Å; L6-V10 WeakPolarHBondContact O-CG2 3.42Å; L6-V10 PolarHBondContact O-N 3.45Å; L6-V25 HydrophobicContact CD2-CG1 4.05Å; L6-F29 HydrophobicContact CD2-CE2 4.45Å; L6-F29 HydrophobicContact CD2-CZ 3.96Å
7I98.5Very high97.8Very high29 Ų2983.9 Ų83.915%0.14945%0.448CS..Hα-helixtrans-61.2-42.3178.1-70.7167.1000110.9K3 T4 V10 A11 A21 V25K3-I7 HydrophobicContact CG-CD1 4.12Å; K3-I7 VanDerWaalsContact O-CG1 3.31Å; K3-I7 WeakPolarHBondContact O-CG1 3.5Å; K3-I7 PolarHBondContact O-N 3.37Å; T4-I7 PolarHBondContact O-N 3.44Å; I7-V10 PolarHBondContact O-N 2.71Å; I7-A11 VanDerWaalsContact O-CB 3.32Å; I7-A11 WeakPolarHBondContact O-CB 3.23Å; I7-A11 PolarHBondContact O-N 3.02Å; I7-A21 HydrophobicContact CG2-CB 4.13Å; I7-V25 HydrophobicContact CG1-CB 4.2Å; I7-V25 HydrophobicContact CG1-CG1 4.34Å; I7-V25 HydrophobicContact CG1-CG2 4.18Å
8N98.4Very high97.8Very high56 Ų5687.1 Ų87.130%0.29946%0.457SS..Hα-helixtrans-62.3-44.3175.8-70.8-40.9000111.3T4 D5 L6 A11 E12 K18T4-N8 PolarHBondContact O-N 3.33Å; T4-N8 PolarHBondContact O-ND2 2.91Å; D5-N8 PolarHBondContact O-N 2.94Å; L6-N8 VanDerWaalsContact C-N 3.32Å; L6-N8 PolarHBondContact O-N 3Å; N8-A11 PolarHBondContact O-N 3.45Å; N8-E12 PolarHBondContact O-N 3.02Å; N8-K18 WeakPolarHBondContact OD1-CD 3.35Å; N8-K18 WeakPolarHBondContact OD1-CE 3.34Å; N8-K18 PolarHBondContact OD1-NZ 3.04Å
9A98.4Very high97.8Very high19 Ų1991.6 Ų91.616%0.15747%0.473CS..Hα-helixtrans-64.1-40.4177.900000112.5M1 D5 L6 Q13M1-A9 HydrophobicContact CE-CB 4.42Å; D5-A9 PolarHBondContact O-N 3.07Å; L6-A9 PolarHBondContact O-N 3.4Å; A9-Q13 WeakPolarHBondContact O-CB 3.38Å; A9-Q13 VanDerWaalsContact O-CG 3.26Å; A9-Q13 WeakPolarHBondContact O-CG 3.32Å; A9-Q13 PolarHBondContact O-N 2.88Å
10V98.3Very high97.9Very high39 Ų3992.1 Ų92.124%0.23647%0.473CS..Hα-helixtrans-66.2-42.8175.4171.10000110.9L6 I7 E12 Q13 A14 A21 V25L6-V10 HydrophobicContact CD1-CG2 4.15Å; L6-V10 HydrophobicContact CG-CG2 4.44Å; L6-V10 WeakPolarHBondContact O-CG2 3.42Å; L6-V10 PolarHBondContact O-N 3.45Å; I7-V10 PolarHBondContact O-N 2.71Å; V10-E12 VanDerWaalsContact C-N 3.33Å; V10-E12 PolarHBondContact O-N 3.34Å; V10-Q13 PolarHBondContact O-N 2.93Å; V10-A14 WeakPolarHBondContact O-CB 3.43Å; V10-A14 PolarHBondContact O-N 2.93Å; V10-A21 HydrophobicContact CB-CB 4.33Å; V10-A21 HydrophobicContact CG1-CB 3.99Å; V10-V25 HydrophobicContact CB-CG2 4.3Å; V10-V25 HydrophobicContact CG1-CG2 4.35Å; V10-V25 HydrophobicContact CG2-CG2 3.97Å
11A98.6Very high97.9Very high11 Ų1187.7 Ų87.79%0.09145%0.45CS..Hα-helixtrans-57.9-46.4176.700000111.7I7 N8 D15 L16 K18 A21I7-A11 VanDerWaalsContact O-CB 3.32Å; I7-A11 WeakPolarHBondContact O-CB 3.23Å; I7-A11 PolarHBondContact O-N 3.02Å; N8-A11 PolarHBondContact O-N 3.45Å; A11-D15 WeakPolarHBondContact O-CA 3.32Å; A11-D15 PolarHBondContact O-N 2.91Å; A11-L16 WeakPolarHBondContact CB-O 3.17Å; A11-L16 PolarHBondContact O-N 3.45Å; A11-K18 HydrophobicContact CB-CG 4.28Å; A11-A21 HydrophobicContact CB-CB 3.67Å
12E98.3Very high98.2Very high166 Ų16679.9 Ų79.978%0.77642%0.415SS*.Hα-helixtrans-66.9-46.9178.7-174.3178.3-177.900112.5N8 V10N8-E12 PolarHBondContact O-N 3.02Å; V10-E12 VanDerWaalsContact C-N 3.33Å; V10-E12 PolarHBondContact O-N 3.34Å
13Q98Very high98.2Very high168 Ų16879 Ų7979%0.78542%0.415SS*.Hα-helixtrans-75-29.9-175.7-70.3176.529.700113.8A9 V10A9-Q13 WeakPolarHBondContact O-CB 3.38Å; A9-Q13 VanDerWaalsContact O-CG 3.26Å; A9-Q13 WeakPolarHBondContact O-CG 3.32Å; A9-Q13 PolarHBondContact O-N 2.88Å; V10-Q13 PolarHBondContact O-N 2.93Å
14A97.9Very high98.3Very high56 Ų5676 Ų7646%0.46341%0.411SS..THydrogen-bonded Turntrans-100.13.6-177.400000113.4V10 L16V10-A14 WeakPolarHBondContact O-CB 3.43Å; V10-A14 PolarHBondContact O-N 2.93Å; A14-L16 VanDerWaalsContact C-N 3.28Å; A14-L16 HydrophobicContact CB-CD1 3.92Å; A14-L16 HydrophobicContact CB-CG 3.9Å; A14-L16 PolarHBondContact O-N 2.95Å
15D98Very high98.3Very high155 Ų15572.4 Ų72.483%0.82939%0.388SS*.THydrogen-bonded Turntrans5147.7-175.2-163.630.2000112.4A11A11-D15 WeakPolarHBondContact O-CA 3.32Å; A11-D15 PolarHBondContact O-N 2.91Å
16L98.3Very high98.3Very high65 Ų6572.3 Ų72.334%0.3439%0.388SS..  trans-110.2151.4179.8-66.6177.9000110.3A11 A14 E20 A21A11-L16 WeakPolarHBondContact CB-O 3.17Å; A11-L16 PolarHBondContact O-N 3.45Å; A14-L16 VanDerWaalsContact C-N 3.28Å; A14-L16 HydrophobicContact CB-CD1 3.92Å; A14-L16 HydrophobicContact CB-CG 3.9Å; A14-L16 PolarHBondContact O-N 2.95Å; L16-E20 HydrophobicContact CB-CB 4.1Å; L16-E20 HydrophobicContact CD2-CB 4.27Å; L16-A21 HydrophobicContact CB-CB 4.27Å
17T98.3Very high98.4Very high80 Ų8072 Ų7249%0.49139%0.393SS..  trans-61.9152.3163.667.30000109.8K19 E20 A21T17-K19 PolarHBondContact O-N 2.9Å; T17-E20 VanDerWaalsContact CB-OE2 3.3Å; T17-E20 WeakPolarHBondContact CB-OE2 2.88Å; T17-E20 WeakPolarHBondContact CG2-OE2 3.47Å; T17-E20 PolarHBondContact N-OE2 3.34Å; T17-E20 PolarHBondContact O-N 3.22Å; T17-E20 VanDerWaalsContact OG1-CG 3.28Å; T17-E20 WeakPolarHBondContact OG1-CG 3.4Å; T17-E20 PolarHBondContact OG1-N 3.34Å; T17-E20 PolarHBondContact OG1-OE2 2.58Å; T17-A21 PolarHBondContact O-N 3.04Å
18K97.8Very high98.3Very high140 Ų14074.4 Ų74.461%0.60941%0.409SS*.Hα-helixtrans-55.3-30.6176.3-66.6-172.1179.9-165.50113.1N8 A11 G22N8-K18 WeakPolarHBondContact OD1-CD 3.35Å; N8-K18 WeakPolarHBondContact OD1-CE 3.34Å; N8-K18 PolarHBondContact OD1-NZ 3.04Å; A11-K18 HydrophobicContact CB-CG 4.28Å; K18-G22 PolarHBondContact O-N 3.46Å
19K98.3Very high98.3Very high173 Ų17376.5 Ų76.575%0.75242%0.415SS*.Hα-helixtrans-69.7-45.3177-175.8-177.8177.3-1750111.6T17 G22 S23T17-K19 PolarHBondContact O-N 2.9Å; K19-G22 PolarHBondContact O-N 3.42Å; K19-S23 PolarHBondContact O-N 3.34Å; K19-S23 PolarHBondContact O-OG 2.86Å
20E98.6Very high98.3Very high102 Ų10281.3 Ų81.348%0.47743%0.434SS..Hα-helixtrans-65.8-46.2176.7-71.7159.914900110.9L16 T17 G22 S23 A24L16-E20 HydrophobicContact CB-CB 4.1Å; L16-E20 HydrophobicContact CD2-CB 4.27Å; T17-E20 VanDerWaalsContact CB-OE2 3.3Å; T17-E20 WeakPolarHBondContact CB-OE2 2.88Å; T17-E20 WeakPolarHBondContact CG2-OE2 3.47Å; T17-E20 PolarHBondContact N-OE2 3.34Å; T17-E20 PolarHBondContact O-N 3.22Å; T17-E20 VanDerWaalsContact OG1-CG 3.28Å; T17-E20 WeakPolarHBondContact OG1-CG 3.4Å; T17-E20 PolarHBondContact OG1-N 3.34Å; T17-E20 PolarHBondContact OG1-OE2 2.58Å; E20-G22 VanDerWaalsContact C-N 3.32Å; E20-G22 PolarHBondContact O-N 3.06Å; E20-S23 PolarHBondContact O-N 3.45Å; E20-A24 WeakPolarHBondContact O-CB 3.42Å; E20-A24 PolarHBondContact O-N 3.47Å
21A98.6Very high98.4Very high0 Ų082.8 Ų82.80%045%0.447CS..Hα-helixtrans-59.4-42.6175.300000112I7 V10 A11 L16 T17 A24 V25I7-A21 HydrophobicContact CG2-CB 4.13Å; V10-A21 HydrophobicContact CB-CB 4.33Å; V10-A21 HydrophobicContact CG1-CB 3.99Å; A11-A21 HydrophobicContact CB-CB 3.67Å; L16-A21 HydrophobicContact CB-CB 4.27Å; T17-A21 PolarHBondContact O-N 3.04Å; A21-A24 PolarHBondContact O-N 3.45Å; A21-V25 VanDerWaalsContact O-CG2 3.32Å; A21-V25 WeakPolarHBondContact O-CG2 3.31Å; A21-V25 PolarHBondContact O-N 3.29Å
22G98.5Very high98.4Very high11 Ų1183.3 Ų83.311%0.11345%0.448CS..Hα-helixtrans-58.4-48.1174.300000112.2K18 K19 E20 A24 V25 D26K18-G22 PolarHBondContact O-N 3.46Å; K19-G22 PolarHBondContact O-N 3.42Å; E20-G22 VanDerWaalsContact C-N 3.32Å; E20-G22 PolarHBondContact O-N 3.06Å; G22-A24 VanDerWaalsContact C-N 3.33Å; G22-A24 PolarHBondContact O-N 3.01Å; G22-V25 PolarHBondContact O-N 3.5Å; G22-D26 WeakPolarHBondContact O-CB 3.33Å; G22-D26 PolarHBondContact O-N 3.48Å
23S98.5Very high98.4Very high72 Ų7281.9 Ų81.950%0.50344%0.441SS..Hα-helixtrans-62.4-40.5178.3-52.80000111.9K19 E20 A27K19-S23 PolarHBondContact O-N 3.34Å; K19-S23 PolarHBondContact O-OG 2.86Å; E20-S23 PolarHBondContact O-N 3.45Å; S23-A27 WeakPolarHBondContact O-CB 3.5Å; S23-A27 PolarHBondContact O-N 2.88Å
24A98.5Very high98.4Very high42 Ų4277.3 Ų77.335%0.34742%0.422SS..Hα-helixtrans-67.1-45.5178.700000112.4E20 A21 G22 D26 A27 V28E20-A24 WeakPolarHBondContact O-CB 3.42Å; E20-A24 PolarHBondContact O-N 3.47Å; A21-A24 PolarHBondContact O-N 3.45Å; G22-A24 VanDerWaalsContact C-N 3.33Å; G22-A24 PolarHBondContact O-N 3.01Å; A24-D26 VanDerWaalsContact C-N 3.32Å; A24-D26 PolarHBondContact O-N 2.93Å; A24-A27 PolarHBondContact O-N 3.23Å; A24-V28 WeakPolarHBondContact O-CG2 3.2Å; A24-V28 PolarHBondContact O-N 3.4Å
25V98.5Very high98.4Very high12 Ų1276.1 Ų76.17%0.07341%0.411CS..Hα-helixtrans-61.4-42.5177.2169.70000110.8L6 I7 V10 A21 G22 V28 F29L6-V25 HydrophobicContact CD2-CG1 4.05Å; I7-V25 HydrophobicContact CG1-CB 4.2Å; I7-V25 HydrophobicContact CG1-CG1 4.34Å; I7-V25 HydrophobicContact CG1-CG2 4.18Å; V10-V25 HydrophobicContact CB-CG2 4.3Å; V10-V25 HydrophobicContact CG1-CG2 4.35Å; V10-V25 HydrophobicContact CG2-CG2 3.97Å; A21-V25 VanDerWaalsContact O-CG2 3.32Å; A21-V25 WeakPolarHBondContact O-CG2 3.31Å; A21-V25 PolarHBondContact O-N 3.29Å; G22-V25 PolarHBondContact O-N 3.5Å; V25-V28 PolarHBondContact O-N 3.42Å; V25-F29 HydrophobicContact CG1-CD2 3.96Å; V25-F29 HydrophobicContact CG1-CE2 3.46Å; V25-F29 VanDerWaalsContact CG1-CE2 3.46Å; V25-F29 HydrophobicContact CG1-CZ 4.11Å; V25-F29 WeakPolarHBondContact O-CD2 3.41Å; V25-F29 PolarHBondContact O-N 3.42Å
26D98.5Very high98.4Very high68 Ų6869.9 Ų69.936%0.36438%0.377SS..Hα-helixtrans-63.7-45.8177.2-73.9-12.8000111.9K3 G22 A24 V28 F29 E30K3-D26 WeakPolarHBondContact CE-OD1 3.4Å; K3-D26 IonicContact NZ-OD1 3.29Å; K3-D26 PolarHBondContact NZ-OD1 3.36Å; K3-D26 IonicContact NZ-OD2 2.8Å; G22-D26 WeakPolarHBondContact O-CB 3.33Å; G22-D26 PolarHBondContact O-N 3.48Å; A24-D26 VanDerWaalsContact C-N 3.32Å; A24-D26 PolarHBondContact O-N 2.93Å; D26-V28 VanDerWaalsContact C-N 3.29Å; D26-V28 PolarHBondContact O-N 3.37Å; D26-F29 PolarHBondContact O-N 3.18Å; D26-E30 WeakPolarHBondContact O-CB 3.33Å; D26-E30 PolarHBondContact O-N 3.04Å
27A98.6Very high98.4Very high48 Ų4870.9 Ų70.940%0.39740%0.395SS..Hα-helixtrans-60.4-37.1177.200000112.6S23 A24 S31S23-A27 WeakPolarHBondContact O-CB 3.5Å; S23-A27 PolarHBondContact O-N 2.88Å; A24-A27 PolarHBondContact O-N 3.23Å; A27-S31 VanDerWaalsContact O-CB 3.23Å; A27-S31 WeakPolarHBondContact O-CB 3.49Å; A27-S31 PolarHBondContact O-N 3.45Å; A27-S31 PolarHBondContact O-OG 2.94Å
28V98.3Very high98.4Very high79 Ų7974.3 Ų74.348%0.47940%0.403SS..Hα-helixtrans-63.8-49175.4168.70000111.1A24 V25 D26 S31 I32A24-V28 WeakPolarHBondContact O-CG2 3.2Å; A24-V28 PolarHBondContact O-N 3.4Å; V25-V28 PolarHBondContact O-N 3.42Å; D26-V28 VanDerWaalsContact C-N 3.29Å; D26-V28 PolarHBondContact O-N 3.37Å; V28-S31 PolarHBondContact O-N 2.83Å; V28-I32 HydrophobicContact CG1-CD1 3.95Å; V28-I32 WeakPolarHBondContact O-CG1 3.35Å; V28-I32 PolarHBondContact O-N 3Å
29F98.1Very high98.3Very high101 Ų10170.1 Ų70.144%0.44340%0.399SS..Hα-helixtrans-65.7-42.1-179.9-67.2-36.3000112.3L6 V25 D26 I32 Q33L6-F29 HydrophobicContact CD2-CE2 4.45Å; L6-F29 HydrophobicContact CD2-CZ 3.96Å; V25-F29 HydrophobicContact CG1-CD2 3.96Å; V25-F29 HydrophobicContact CG1-CE2 3.46Å; V25-F29 VanDerWaalsContact CG1-CE2 3.46Å; V25-F29 HydrophobicContact CG1-CZ 4.11Å; V25-F29 WeakPolarHBondContact O-CD2 3.41Å; V25-F29 PolarHBondContact O-N 3.42Å; D26-F29 PolarHBondContact O-N 3.18Å; F29-I32 PolarHBondContact O-N 2.99Å; F29-Q33 WeakPolarHBondContact O-CB 3.44Å; F29-Q33 PolarHBondContact O-N 3.47Å
30E98.6Very high98.3Very high119 Ų11966.3 Ų66.356%0.55638%0.384SS*.Hα-helixtrans-62.8-42.5176.4-178.2171.4-167.400111.6D26 I32 Q33 N34D26-E30 WeakPolarHBondContact O-CB 3.33Å; D26-E30 PolarHBondContact O-N 3.04Å; E30-I32 PolarHBondContact O-N 3.35Å; E30-Q33 PolarHBondContact O-N 3.46Å; E30-N34 WeakPolarHBondContact CG-ND2 3.26Å; E30-N34 WeakPolarHBondContact O-CB 3.4Å; E30-N34 VanDerWaalsContact O-CG 3.27Å; E30-N34 PolarHBondContact O-N 3.38Å; E30-N34 PolarHBondContact O-ND2 3.47Å
31S98.6Very high98.3Very high71 Ų7168.5 Ų68.550%0.49739%0.392SS..Hα-helixtrans-62.1-44.1177-620000111.9A27 V28 N34 S35A27-S31 VanDerWaalsContact O-CB 3.23Å; A27-S31 WeakPolarHBondContact O-CB 3.49Å; A27-S31 PolarHBondContact O-N 3.45Å; A27-S31 PolarHBondContact O-OG 2.94Å; V28-S31 PolarHBondContact O-N 2.83Å; S31-N34 PolarHBondContact O-N 3.23Å; S31-S35 PolarHBondContact O-N 2.94Å; S31-S35 PolarHBondContact O-OG 2.9Å
32I98.5Very high98.3Very high22 Ų2269.7 Ų69.711%0.11340%0.399CS..Hα-helixtrans-61.8-47.2175.6-67.8165.4000110.4V28 F29 E30 N34 S35 L36 V42 F50V28-I32 HydrophobicContact CG1-CD1 3.95Å; V28-I32 WeakPolarHBondContact O-CG1 3.35Å; V28-I32 PolarHBondContact O-N 3Å; F29-I32 PolarHBondContact O-N 2.99Å; E30-I32 PolarHBondContact O-N 3.35Å; I32-N34 PolarHBondContact O-N 3.41Å; I32-S35 PolarHBondContact O-N 3.34Å; I32-L36 HydrophobicContact CG2-CD1 3.95Å; I32-L36 HydrophobicContact CG2-CG 4.36Å; I32-L36 WeakPolarHBondContact O-CB 3.44Å; I32-L36 VanDerWaalsContact O-CG 3.29Å; I32-L36 WeakPolarHBondContact O-CG 3.33Å; I32-L36 PolarHBondContact O-N 3.2Å; I32-V42 HydrophobicContact CG1-CG1 4.26Å; I32-F50 HydrophobicContact CD1-CD2 4.27Å; I32-F50 HydrophobicContact CD1-CE2 3.88Å; I32-F50 HydrophobicContact CD1-CZ 4.32Å; I32-F50 HydrophobicContact CG2-CB 4.28Å; I32-F50 HydrophobicContact CG2-CD1 4.26Å; I32-F50 HydrophobicContact CG2-CD2 4.17Å; I32-F50 HydrophobicContact CG2-CG 3.98Å
33Q98.4Very high98.3Very high136 Ų13675.7 Ų75.764%0.63642%0.424SS*.Hα-helixtrans-59.6-46.9179.4-179.4177.4-45.900111.6F29 E30 L36 A37F29-Q33 WeakPolarHBondContact O-CB 3.44Å; F29-Q33 PolarHBondContact O-N 3.47Å; E30-Q33 PolarHBondContact O-N 3.46Å; Q33-L36 PolarHBondContact O-N 3.03Å; Q33-A37 WeakPolarHBondContact O-CB 3.28Å; Q33-A37 PolarHBondContact O-N 2.89Å
34N98.6Very high98.2Very high71 Ų7175.5 Ų75.538%0.3842%0.417SS..Hα-helixtrans-66.6-39.8-178.3-73.9-23.4000112.4E30 S31 I32 A37 K38E30-N34 WeakPolarHBondContact CG-ND2 3.26Å; E30-N34 WeakPolarHBondContact O-CB 3.4Å; E30-N34 VanDerWaalsContact O-CG 3.27Å; E30-N34 PolarHBondContact O-N 3.38Å; E30-N34 PolarHBondContact O-ND2 3.47Å; S31-N34 PolarHBondContact O-N 3.23Å; I32-N34 PolarHBondContact O-N 3.41Å; N34-A37 PolarHBondContact O-N 3.49Å; N34-K38 WeakPolarHBondContact O-CG 3.3Å; N34-K38 PolarHBondContact O-N 2.86Å
35S98.6Very high98.1Very high32 Ų3281.2 Ų81.222%0.22444%0.44CS..Hα-helixtrans-64.4-45.9173.3-76.70000111.9S31 I32 A37 K38 G39 E40 V42S31-S35 PolarHBondContact O-N 2.94Å; S31-S35 PolarHBondContact O-OG 2.9Å; I32-S35 PolarHBondContact O-N 3.34Å; S35-A37 VanDerWaalsContact C-N 3.32Å; S35-A37 PolarHBondContact O-N 3.37Å; S35-K38 WeakPolarHBondContact O-CB 3.49Å; S35-K38 PolarHBondContact O-N 3Å; S35-K38 VanDerWaalsContact O-N 3.11Å; S35-G39 PolarHBondContact O-N 2.94Å; S35-E40 WeakPolarHBondContact O-CB 3.38Å; S35-E40 PolarHBondContact O-N 3.29Å; S35-E40 PolarHBondContact OG-OE2 3.11Å; S35-V42 VanDerWaalsContact CB-CG2 3.48Å
36L98.4Very high98Very high24 Ų2482.5 Ų82.513%0.12646%0.456CS..Hα-helixtrans-64.2-36.3178.1-67.7179.2000112.4I32 Q33 K38 G39 F50 V52 P77I32-L36 HydrophobicContact CG2-CD1 3.95Å; I32-L36 HydrophobicContact CG2-CG 4.36Å; I32-L36 WeakPolarHBondContact O-CB 3.44Å; I32-L36 VanDerWaalsContact O-CG 3.29Å; I32-L36 WeakPolarHBondContact O-CG 3.33Å; I32-L36 PolarHBondContact O-N 3.2Å; Q33-L36 PolarHBondContact O-N 3.03Å; L36-K38 PolarHBondContact O-N 3.46Å; L36-G39 PolarHBondContact O-N 3.3Å; L36-F50 HydrophobicContact CD1-CB 4.14Å; L36-F50 HydrophobicContact CD2-CB 4.01Å; L36-F50 HydrophobicContact CG-CB 4.43Å; L36-V52 HydrophobicContact CB-CG2 4.11Å; L36-V52 HydrophobicContact CD2-CG2 4.18Å; L36-V52 WeakPolarHBondContact O-CG2 3.18Å; L36-P77 HydrophobicContact CD1-CB 4.26Å
37A97.9Very high98Very high86 Ų8684.2 Ų84.271%0.71146%0.46SS*.Hα-helixtrans-60.6-31.1175.300000112.5Q33 N34 S35 G39Q33-A37 WeakPolarHBondContact O-CB 3.28Å; Q33-A37 PolarHBondContact O-N 2.89Å; N34-A37 PolarHBondContact O-N 3.49Å; S35-A37 VanDerWaalsContact C-N 3.32Å; S35-A37 PolarHBondContact O-N 3.37Å; A37-G39 VanDerWaalsContact C-N 3.28Å
38K97.6Very high98Very high152 Ų15282 Ų8266%0.66144%0.442SS*.THydrogen-bonded Turntrans-81.8-3.1173.9-64172-174.6177.70113.6N34 S35 L36 E40N34-K38 WeakPolarHBondContact O-CG 3.3Å; N34-K38 PolarHBondContact O-N 2.86Å; S35-K38 WeakPolarHBondContact O-CB 3.49Å; S35-K38 PolarHBondContact O-N 3Å; S35-K38 VanDerWaalsContact O-N 3.11Å; L36-K38 PolarHBondContact O-N 3.46Å; K38-E40 VanDerWaalsContact C-N 3.26Å; K38-E40 HydrophobicContact CB-CG 4Å
39G96.7Very high98Very high51 Ų5180.9 Ų80.953%0.52643%0.433SS..THydrogen-bonded Turntrans77.411-173.800000113.9S35 L36 A37S35-G39 PolarHBondContact O-N 2.94Å; L36-G39 PolarHBondContact O-N 3.3Å; A37-G39 VanDerWaalsContact C-N 3.28Å
40E98.1Very high98Very high94 Ų9478.1 Ų78.144%0.43942%0.421SS..  trans-80.5148.1178.4-62169-17800110.5S35 K38S35-E40 WeakPolarHBondContact O-CB 3.38Å; S35-E40 PolarHBondContact O-N 3.29Å; S35-E40 PolarHBondContact OG-OE2 3.11Å; K38-E40 VanDerWaalsContact C-N 3.26Å; K38-E40 HydrophobicContact CB-CG 4Å
41K97.9Very high98Very high148 Ų14874 Ų7464%0.64340%0.402SS*.  trans-87.2141.1173.3-62.4-168.8-178.4-155.20109.9F50 E51K41-F50 WeakPolarHBondContact CA-O 3.3Å; K41-E51 HydrophobicContact CD-CB 4.17Å; K41-E51 WeakPolarHBondContact CE-OE2 3.46Å; K41-E51 HydrophobicContact CG-CB 3.95Å; K41-E51 IonicContact NZ-OE2 2.87Å; K41-E51 PolarHBondContact NZ-OE2 3.12Å
42V98.6Very high98Very high24 Ų2472.8 Ų72.815%0.14539%0.392CS..EExtended strand (participates in β ladder)trans-110.3114.5170.7-175.50000108.7I32 S35 L44 N49 F50I32-V42 HydrophobicContact CG1-CG1 4.26Å; S35-V42 VanDerWaalsContact CB-CG2 3.48Å; V42-L44 HydrophobicContact CG1-CD2 4.09Å; V42-L44 HydrophobicContact CG1-CG 4.29Å; V42-N49 CarbonylContact O-C 3.55Å; V42-N49 WeakPolarHBondContact O-CA 3.39Å; V42-F50 HydrophobicContact CB-CB 4.27Å; V42-F50 HydrophobicContact CB-CD2 4.45Å; V42-F50 PolarHBondContact N-O 2.9Å; V42-F50 PolarHBondContact O-N 3.39Å
43Q98.2Very high97.9Very high138 Ų13877 Ų7765%0.64541%0.406SS*.EExtended strand (participates in β ladder)trans-106.3116.4178.7170.9164.314.300110.2N49Q43-N49 WeakPolarHBondContact CA-OD1 3.4Å; Q43-N49 VanDerWaalsContact CG-OD1 3.28Å; Q43-N49 WeakPolarHBondContact CG-OD1 3.37Å
44L97.6Very high97.9Very high67 Ų6777.9 Ų77.935%0.35141%0.41SS..EExtended strand (participates in β ladder)trans-109.499.4175-56.5-179.1000108.2V42 G46 F47 G48 F50V42-L44 HydrophobicContact CG1-CD2 4.09Å; V42-L44 HydrophobicContact CG1-CG 4.29Å; L44-G46 PolarHBondContact O-N 3.37Å; L44-F47 HydrophobicContact CB-CB 4.15Å; L44-F47 HydrophobicContact CD1-CD1 4.34Å; L44-F47 PolarHBondContact O-N 3Å; L44-G48 PolarHBondContact N-O 2.78Å; L44-G48 PolarHBondContact O-N 2.94Å; L44-F50 HydrophobicContact CD1-CE2 4.05Å
45I96.7Very high97.8Very high163 Ų16381.9 Ų81.984%0.83642%0.42SS*.THydrogen-bonded Turntrans-55.4134.2-176.5-61.7174.8000109.7F47I45-F47 PolarHBondContact O-N 2.83Å
46G95.5Very high97.7Very high39 Ų3984.2 Ų84.240%0.40244%0.441SS..THydrogen-bonded Turntrans86.6-39.9-174.700000113.7L44 A84 L85L44-G46 PolarHBondContact O-N 3.37Å; G46-A84 VanDerWaalsContact O-CB 3.3Å; G46-A84 WeakPolarHBondContact O-CB 3.21Å; G46-A84 PolarHBondContact O-N 3Å; G46-L85 PolarHBondContact O-N 2.97Å
47F98.1Very high97.7Very high104 Ų10486.3 Ų86.346%0.45646%0.462SS..THydrogen-bonded Turntrans-90.8-55.1-175.1-167.5-108.4000113.4L44 I45 F79 G82 L85L44-F47 HydrophobicContact CB-CB 4.15Å; L44-F47 HydrophobicContact CD1-CD1 4.34Å; L44-F47 PolarHBondContact O-N 3Å; I45-F47 PolarHBondContact O-N 2.83Å; F47-F79 HydrophobicContact CD1-CE2 4.06Å; F47-F79 AromaticContact CD1-CZ 3.94Å; F47-F79 HydrophobicContact CD1-CZ 3.94Å; F47-F79 HydrophobicContact CE1-CE2 4.1Å; F47-F79 AromaticContact CE1-CZ 3.83Å; F47-F79 HydrophobicContact CE1-CZ 3.83Å; F47-G82 PolarHBondContact O-N 2.88Å; F47-L85 HydrophobicContact CD2-CD1 4.44Å; F47-L85 HydrophobicContact CD2-CD2 4.19Å; F47-L85 HydrophobicContact CE2-CD1 4.03Å; F47-L85 HydrophobicContact CE2-CD2 3.93Å; F47-L85 HydrophobicContact CE2-CG 4.49Å; F47-L85 HydrophobicContact CZ-CD2 4.13Å; F47-L85 WeakPolarHBondContact O-CB 3.42Å
48G98.3Very high97.7Very high2 Ų289.8 Ų89.82%0.02146%0.457CS..EExtended strand (participates in β ladder)trans156.3-173.7179.900000114.4L44 K80L44-G48 PolarHBondContact N-O 2.78Å; L44-G48 PolarHBondContact O-N 2.94Å; G48-K80 CarbonylContact C-O 3.55Å; G48-K80 WeakPolarHBondContact CA-O 3.47Å
49N98.2Very high97.6Very high54 Ų5487.5 Ų87.529%0.28945%0.447SS..EExtended strand (participates in β ladder)trans-122.5131.4-175.9-59.3-23.5000110.8V42 Q43 F79 K80V42-N49 CarbonylContact O-C 3.55Å; V42-N49 WeakPolarHBondContact O-CA 3.39Å; Q43-N49 WeakPolarHBondContact CA-OD1 3.4Å; Q43-N49 VanDerWaalsContact CG-OD1 3.28Å; Q43-N49 WeakPolarHBondContact CG-OD1 3.37Å; N49-F79 CarbonylContact O-C 3.56Å; N49-F79 WeakPolarHBondContact O-CA 3.5Å; N49-F79 WeakPolarHBondContact O-CD2 3.29Å; N49-K80 PolarHBondContact N-O 2.83Å; N49-K80 PolarHBondContact O-N 3.43Å
50F98.8Very high97.6Very high44 Ų4485.7 Ų85.719%0.19343%0.428CS..EExtended strand (participates in β ladder)trans-97136.1165.9-59.3-89.1000109.6I32 L36 K41 V42 L44 A78 F79I32-F50 HydrophobicContact CD1-CD2 4.27Å; I32-F50 HydrophobicContact CD1-CE2 3.88Å; I32-F50 HydrophobicContact CD1-CZ 4.32Å; I32-F50 HydrophobicContact CG2-CB 4.28Å; I32-F50 HydrophobicContact CG2-CD1 4.26Å; I32-F50 HydrophobicContact CG2-CD2 4.17Å; I32-F50 HydrophobicContact CG2-CG 3.98Å; L36-F50 HydrophobicContact CD1-CB 4.14Å; L36-F50 HydrophobicContact CD2-CB 4.01Å; L36-F50 HydrophobicContact CG-CB 4.43Å; K41-F50 WeakPolarHBondContact CA-O 3.3Å; V42-F50 HydrophobicContact CB-CB 4.27Å; V42-F50 HydrophobicContact CB-CD2 4.45Å; V42-F50 PolarHBondContact N-O 2.9Å; V42-F50 PolarHBondContact O-N 3.39Å; L44-F50 HydrophobicContact CD1-CE2 4.05Å; F50-A78 WeakPolarHBondContact CA-O 3.5Å; F50-F79 HydrophobicContact CD1-CB 4.08Å; F50-F79 AromaticContact CD1-CD2 3.79Å; F50-F79 HydrophobicContact CD1-CD2 3.79Å; F50-F79 HydrophobicContact CD1-CG 4.35Å; F50-F79 HydrophobicContact CD2-CD2 4.18Å; F50-F79 HydrophobicContact CE1-CB 4.04Å; F50-F79 AromaticContact CE1-CD2 3.52Å; F50-F79 HydrophobicContact CE1-CD2 3.52Å; F50-F79 HydrophobicContact CE1-CE2 4.27Å; F50-F79 HydrophobicContact CE1-CG 4.03Å; F50-F79 AromaticContact CE2-CD2 3.93Å; F50-F79 HydrophobicContact CE2-CD2 3.93Å; F50-F79 HydrophobicContact CE2-CE2 4.01Å; F50-F79 HydrophobicContact CG-CD2 4.11Å; F50-F79 AromaticContact CZ-CD2 3.6Å; F50-F79 HydrophobicContact CZ-CD2 3.6Å; F50-F79 AromaticContact CZ-CE2 3.88Å; F50-F79 HydrophobicContact CZ-CE2 3.88Å; F50-F79 HydrophobicContact CZ-CG 4.42Å
51E98.4Very high97.6Very high33 Ų3390.4 Ų90.415%0.15444%0.442CS..EExtended strand (participates in β ladder)trans-149159.517765.3-173.4175.800110.5K41 R53 A78K41-E51 HydrophobicContact CD-CB 4.17Å; K41-E51 WeakPolarHBondContact CE-OE2 3.46Å; K41-E51 HydrophobicContact CG-CB 3.95Å; K41-E51 IonicContact NZ-OE2 2.87Å; K41-E51 PolarHBondContact NZ-OE2 3.12Å; E51-R53 HydrophobicContact CG-CG 4.14Å; E51-R53 IonicContact OE1-CZ 2.8Å; E51-R53 VanDerWaalsContact OE1-CZ 3.29Å; E51-R53 IonicContact OE1-NE 2.58Å; E51-R53 PolarHBondContact OE1-NE 2.88Å; E51-R53 IonicContact OE1-NH2 2.88Å; E51-R53 PolarHBondContact OE1-NH2 3.38Å; E51-A78 HydrophobicContact CG-CB 4.35Å; E51-A78 PolarHBondContact N-O 2.82Å; E51-A78 PolarHBondContact O-N 2.92Å
52V98.5Very high97.5Very high45 Ų4585.5 Ų85.527%0.27342%0.423SS..EExtended strand (participates in β ladder)trans-90.1127.7165.6178.90000108.6L36 K75L36-V52 HydrophobicContact CB-CG2 4.11Å; L36-V52 HydrophobicContact CD2-CG2 4.18Å; L36-V52 WeakPolarHBondContact O-CG2 3.18Å; V52-K75 HydrophobicContact CG1-CB 3.64Å; V52-K75 HydrophobicContact CG1-CD 4.02Å; V52-K75 HydrophobicContact CG1-CG 3.98Å
53R97.7Very high97.4Very high109 Ų10990.8 Ų90.841%0.41146%0.458SS..EExtended strand (participates in β ladder)trans-106.8140.8172.9-66.5-173.3-176.8152.29.8110.6E51 K75 V76 A78E51-R53 HydrophobicContact CG-CG 4.14Å; E51-R53 IonicContact OE1-CZ 2.8Å; E51-R53 VanDerWaalsContact OE1-CZ 3.29Å; E51-R53 IonicContact OE1-NE 2.58Å; E51-R53 PolarHBondContact OE1-NE 2.88Å; E51-R53 IonicContact OE1-NH2 2.88Å; E51-R53 PolarHBondContact OE1-NH2 3.38Å; R53-K75 WeakPolarHBondContact O-CA 3.18Å; R53-V76 HydrophobicContact CB-CG2 4.19Å; R53-V76 PolarHBondContact N-O 2.96Å; R53-V76 PolarHBondContact O-N 2.87Å; R53-A78 HydrophobicContact CG-CB 3.83Å
54E96.7Very high97.3Very high156 Ų15692.9 Ų92.973%0.72947%0.467SS*.EExtended strand (participates in β ladder)trans-84.3133.2170.2-57.7-166.7156.300109.8K75E54-K75 HydrophobicContact CG-CG 4.37Å; E54-K75 WeakPolarHBondContact OE1-CE 3.19Å; E54-K75 IonicContact OE1-NZ 3.67Å
55R97Very high97.3Very high155 Ų15593.6 Ų93.659%0.58547%0.474SS*.EExtended strand (participates in β ladder)trans-105.7121.5168.9-69.5-172.4173.1177.61.7107.2A73 S74 V76R55-A73 CarbonylContact O-C 3.56Å; R55-A73 WeakPolarHBondContact O-CA 3.21Å; R55-A73 WeakPolarHBondContact O-CB 3.41Å; R55-S74 PolarHBondContact N-O 2.93Å; R55-S74 PolarHBondContact O-N 2.75Å; R55-V76 HydrophobicContact CG-CG1 4.3Å; R55-V76 HydrophobicContact CG-CG2 4.02Å
56A97.3Very high97.2Very high81 Ų8187.9 Ų87.967%0.66946%0.456SS*.  trans-63.9152.4175.700000111.2
57A97.5Very high97.3Very high68 Ų6893.3 Ų93.356%0.56247%0.469SS*.  trans-59.1142.7169.100000109.8I71 A73A57-I71 CarbonylContact C-O 3.51Å; A57-I71 WeakPolarHBondContact CA-O 3.13Å; A57-A73 HydrophobicContact CB-CB 4.36Å
58R97.5Very high97.2Very high159 Ų15994 Ų9460%0.647%0.473SS*.EExtended strand (participates in β ladder)trans-151.9163-178.767.2-178.2-177.3102.8-2.3111.5I71R58-I71 HydrophobicContact CG-CB 4.14Å; R58-I71 HydrophobicContact CG-CD1 4.38Å; R58-I71 PolarHBondContact N-O 2.8Å; R58-I71 WeakPolarHBondContact O-CB 3.42Å; R58-I71 PolarHBondContact O-N 3.4Å
59K97.2Very high97.2Very high104 Ų10497.4 Ų97.445%0.45249%0.49SS..EExtended strand (participates in β ladder)trans-78.6138168.2-60.1-57.5-166.1170.10110.9E68 I69 D70K59-E68 HydrophobicContact CB-CG 3.94Å; K59-E68 HydrophobicContact CD-CG 3.94Å; K59-E68 VanDerWaalsContact CD-OE1 3.24Å; K59-E68 WeakPolarHBondContact CD-OE1 3.3Å; K59-E68 WeakPolarHBondContact CE-OE1 3.5Å; K59-E68 HydrophobicContact CG-CG 4.18Å; K59-E68 WeakPolarHBondContact CG-OE1 3.4Å; K59-E68 IonicContact NZ-OE1 3.97Å; K59-I69 WeakPolarHBondContact CA-O 3.47Å; K59-D70 WeakPolarHBondContact CD-OD1 3.43Å; K59-D70 WeakPolarHBondContact CE-OD1 3.38Å; K59-D70 IonicContact NZ-OD1 3.64Å; K59-D70 PolarHBondContact NZ-OD1 2.87Å; K59-D70 IonicContact NZ-OD2 2.68Å; K59-D70 PolarHBondContact NZ-OD2 3.24Å
60G96Very high97.1Very high13 Ų13100.4 Ų100.413%0.13451%0.506CS..EExtended strand (participates in β ladder)trans-126.1-172.9169.300000110.7E68 I69G60-E68 WeakPolarHBondContact O-CA 3.19Å; G60-I69 PolarHBondContact N-O 2.8Å; G60-I69 PolarHBondContact O-N 2.81Å
61R97Very high97Very high192 Ų192100.9 Ų100.973%0.72551%0.51SS*.EExtended strand (participates in β ladder)trans-130.4139.1173.7-70.7-173.1177.8-168.2-1.8110.5P63 K67R61-P63 WeakPolarHBondContact O-CD 3.42Å; R61-K67 WeakPolarHBondContact CA-O 3.16Å
62N96.2Very high97Very high46 Ų46104.1 Ų104.125%0.24653%0.534CS..  trans-67.8121.8169.7179.6-35.7000108.8Q64 T65 G66 K67 I69N62-Q64 PolarHBondContact O-N 3.42Å; N62-Q64 WeakPolarHBondContact OD1-CB 3.37Å; N62-Q64 PolarHBondContact OD1-N 3.36Å; N62-T65 WeakPolarHBondContact CB-OG1 3.2Å; N62-T65 PolarHBondContact O-N 3Å; N62-T65 PolarHBondContact OD1-N 3.49Å; N62-G66 WeakPolarHBondContact O-CA 3.23Å; N62-G66 PolarHBondContact O-N 3.36Å; N62-K67 PolarHBondContact N-O 3.11Å; N62-I69 HydrophobicContact CB-CG2 4.23Å
63P96.4Very high96.9Very high135 Ų135105.3 Ų105.388%0.87755%0.548SS*.THydrogen-bonded Turntrans-67.1-20.2-175.826.4-34.3000113.9R61R61-P63 WeakPolarHBondContact O-CD 3.42Å
64Q97.1Very high97Very high181 Ų181102.7 Ų102.785%0.84655%0.547SS*.THydrogen-bonded Turntrans-88.1-34.7179.2-63.9177.6-38.600112.8N62N62-Q64 PolarHBondContact O-N 3.42Å; N62-Q64 WeakPolarHBondContact OD1-CB 3.37Å; N62-Q64 PolarHBondContact OD1-N 3.36Å
65T96.8Very high97Very high82 Ų82102.3 Ų102.350%0.50354%0.543SS..THydrogen-bonded Turntrans-113.4-13.8-171.965.30000114.3N62 K67N62-T65 WeakPolarHBondContact CB-OG1 3.2Å; N62-T65 PolarHBondContact O-N 3Å; N62-T65 PolarHBondContact OD1-N 3.49Å; T65-K67 PolarHBondContact O-N 2.81Å; T65-K67 VanDerWaalsContact O-N 3.1Å; T65-K67 PolarHBondContact OG1-N 2.82Å
66G95Very high97Very high44 Ų4496.2 Ų96.245%0.45452%0.523SS..  trans71.6-7.1-174.600000115N62N62-G66 WeakPolarHBondContact O-CA 3.23Å; N62-G66 PolarHBondContact O-N 3.36Å
67K97Very high97Very high152 Ų15297.2 Ų97.266%0.66152%0.523SS*.  trans-63.6142.8179.7-66.1-176.2178.7-177.80111R61 N62 T65R61-K67 WeakPolarHBondContact CA-O 3.16Å; N62-K67 PolarHBondContact N-O 3.11Å; T65-K67 PolarHBondContact O-N 2.81Å; T65-K67 VanDerWaalsContact O-N 3.1Å; T65-K67 PolarHBondContact OG1-N 2.82Å
68E97.6Very high97.1Very high120 Ų12094.9 Ų94.956%0.56150%0.503SS*.EExtended strand (participates in β ladder)trans-65.8138.6173-171.5170.9100.400110.5K59 G60K59-E68 HydrophobicContact CB-CG 3.94Å; K59-E68 HydrophobicContact CD-CG 3.94Å; K59-E68 VanDerWaalsContact CD-OE1 3.24Å; K59-E68 WeakPolarHBondContact CD-OE1 3.3Å; K59-E68 WeakPolarHBondContact CE-OE1 3.5Å; K59-E68 HydrophobicContact CG-CG 4.18Å; K59-E68 WeakPolarHBondContact CG-OE1 3.4Å; K59-E68 IonicContact NZ-OE1 3.97Å; G60-E68 WeakPolarHBondContact O-CA 3.19Å
69I97.1Very high97.1Very high73 Ų7391 Ų9137%0.37449%0.491SS..EExtended strand (participates in β ladder)trans-130.6146.9176.658.7174.1000110.2K59 G60 N62K59-I69 WeakPolarHBondContact CA-O 3.47Å; G60-I69 PolarHBondContact N-O 2.8Å; G60-I69 PolarHBondContact O-N 2.81Å; N62-I69 HydrophobicContact CB-CG2 4.23Å
70D96.8Very high97.2Very high116 Ų11692 Ų9262%0.6250%0.495SS*.EExtended strand (participates in β ladder)trans-81.8124.1170.9-76.3-65.1000110.5K59K59-D70 WeakPolarHBondContact CD-OD1 3.43Å; K59-D70 WeakPolarHBondContact CE-OD1 3.38Å; K59-D70 IonicContact NZ-OD1 3.64Å; K59-D70 PolarHBondContact NZ-OD1 2.87Å; K59-D70 IonicContact NZ-OD2 2.68Å; K59-D70 PolarHBondContact NZ-OD2 3.24Å
71I96.8Very high97.3Very high55 Ų5592.6 Ų92.628%0.28250%0.499SS..EExtended strand (participates in β ladder)trans-100.9114171-58.9174.1000106.5A57 R58A57-I71 CarbonylContact C-O 3.51Å; A57-I71 WeakPolarHBondContact CA-O 3.13Å; R58-I71 HydrophobicContact CG-CB 4.14Å; R58-I71 HydrophobicContact CG-CD1 4.38Å; R58-I71 PolarHBondContact N-O 2.8Å; R58-I71 WeakPolarHBondContact O-CB 3.42Å; R58-I71 PolarHBondContact O-N 3.4Å
72P97.5Very high97.3Very high101 Ų10184.4 Ų84.466%0.65647%0.474SS*.  trans-66.1160.8-177.528.5-35.3000111.4
73A97.8Very high97.4Very high69 Ų6989.9 Ų89.957%0.5750%0.496SS*.  trans-59.8144.8171.100000110.2R55 A57R55-A73 CarbonylContact O-C 3.56Å; R55-A73 WeakPolarHBondContact O-CA 3.21Å; R55-A73 WeakPolarHBondContact O-CB 3.41Å; A57-A73 HydrophobicContact CB-CB 4.36Å
74S97.8Very high97.4Very high54 Ų5486.2 Ų86.238%0.37848%0.477SS..EExtended strand (participates in β ladder)trans-144160.4-177.180.80000111.7R55R55-S74 PolarHBondContact N-O 2.93Å; R55-S74 PolarHBondContact O-N 2.75Å
75K97.5Very high97.5Very high148 Ų14880 Ų8064%0.64345%0.449SS*.EExtended strand (participates in β ladder)trans-102.5136.9168.9-73.1-176.5-179.2-1750109.2V52 R53 E54V52-K75 HydrophobicContact CG1-CB 3.64Å; V52-K75 HydrophobicContact CG1-CD 4.02Å; V52-K75 HydrophobicContact CG1-CG 3.98Å; R53-K75 WeakPolarHBondContact O-CA 3.18Å; E54-K75 HydrophobicContact CG-CG 4.37Å; E54-K75 WeakPolarHBondContact OE1-CE 3.19Å; E54-K75 IonicContact OE1-NZ 3.67Å
76V97.4Very high97.5Very high27 Ų2780.8 Ų80.816%0.16445%0.445CS..EExtended strand (participates in β ladder)trans-132.2138.9177.7-60.70000110.6R53 R55R53-V76 HydrophobicContact CB-CG2 4.19Å; R53-V76 PolarHBondContact N-O 2.96Å; R53-V76 PolarHBondContact O-N 2.87Å; R55-V76 HydrophobicContact CG-CG1 4.3Å; R55-V76 HydrophobicContact CG-CG2 4.02Å
77P98.1Very high97.7Very high103 Ų10381.9 Ų81.967%0.66944%0.441SS*.EExtended strand (participates in β ladder)trans-66.3143.3168.229.8-34000109.4L36L36-P77 HydrophobicContact CD1-CB 4.26Å
78A98.4Very high97.7Very high18 Ų1878.4 Ų78.415%0.14944%0.441CS..EExtended strand (participates in β ladder)trans-138.4145.7175.300000110.3F50 E51 R53F50-A78 WeakPolarHBondContact CA-O 3.5Å; E51-A78 HydrophobicContact CG-CB 4.35Å; E51-A78 PolarHBondContact N-O 2.82Å; E51-A78 PolarHBondContact O-N 2.92Å; R53-A78 HydrophobicContact CG-CB 3.83Å
79F98.6Very high97.7Very high79 Ų7978.2 Ų78.235%0.34645%0.447SS..EExtended strand (participates in β ladder)trans-115133.4172.3175.8-110.9000109.8F47 N49 F50 A81 L85F47-F79 HydrophobicContact CD1-CE2 4.06Å; F47-F79 AromaticContact CD1-CZ 3.94Å; F47-F79 HydrophobicContact CD1-CZ 3.94Å; F47-F79 HydrophobicContact CE1-CE2 4.1Å; F47-F79 AromaticContact CE1-CZ 3.83Å; F47-F79 HydrophobicContact CE1-CZ 3.83Å; N49-F79 CarbonylContact O-C 3.56Å; N49-F79 WeakPolarHBondContact O-CA 3.5Å; N49-F79 WeakPolarHBondContact O-CD2 3.29Å; F50-F79 HydrophobicContact CD1-CB 4.08Å; F50-F79 AromaticContact CD1-CD2 3.79Å; F50-F79 HydrophobicContact CD1-CD2 3.79Å; F50-F79 HydrophobicContact CD1-CG 4.35Å; F50-F79 HydrophobicContact CD2-CD2 4.18Å; F50-F79 HydrophobicContact CE1-CB 4.04Å; F50-F79 AromaticContact CE1-CD2 3.52Å; F50-F79 HydrophobicContact CE1-CD2 3.52Å; F50-F79 HydrophobicContact CE1-CE2 4.27Å; F50-F79 HydrophobicContact CE1-CG 4.03Å; F50-F79 AromaticContact CE2-CD2 3.93Å; F50-F79 HydrophobicContact CE2-CD2 3.93Å; F50-F79 HydrophobicContact CE2-CE2 4.01Å; F50-F79 HydrophobicContact CG-CD2 4.11Å; F50-F79 AromaticContact CZ-CD2 3.6Å; F50-F79 HydrophobicContact CZ-CD2 3.6Å; F50-F79 AromaticContact CZ-CE2 3.88Å; F50-F79 HydrophobicContact CZ-CE2 3.88Å; F50-F79 HydrophobicContact CZ-CG 4.42Å; F79-A81 HydrophobicContact CE1-CB 3.93Å; F79-A81 HydrophobicContact CZ-CB 4.46Å; F79-L85 HydrophobicContact CE1-CD2 3.66Å; F79-L85 HydrophobicContact CZ-CD2 3.68Å
80K98.1Very high97.3Very high123 Ų12384.9 Ų84.954%0.53547%0.474SS..EExtended strand (participates in β ladder)trans-114.6108.3171.7-174175.2-177.6174.60108.8G48 N49 G82G48-K80 CarbonylContact C-O 3.55Å; G48-K80 WeakPolarHBondContact CA-O 3.47Å; N49-K80 PolarHBondContact N-O 2.83Å; N49-K80 PolarHBondContact O-N 3.43Å; K80-G82 PolarHBondContact O-N 2.68Å
81A98.3Very high97.4Very high27 Ų2783.3 Ų83.322%0.22347%0.466CS..EExtended strand (participates in β ladder)trans-58.3132.6177.500000111.8F79 L85 K86F79-A81 HydrophobicContact CE1-CB 3.93Å; F79-A81 HydrophobicContact CZ-CB 4.46Å; A81-L85 HydrophobicContact CB-CD2 3.91Å; A81-L85 HydrophobicContact CB-CG 4.32Å; A81-K86 HydrophobicContact CB-CG 3.98Å; A81-K86 WeakPolarHBondContact O-CE 3.38Å; A81-K86 PolarHBondContact O-NZ 3.4Å
82G97.8Very high97.4Very high19 Ų1984.8 Ų84.820%0.19648%0.476CS..  trans-72.4176173.500000112.2F47 K80 K86F47-G82 PolarHBondContact O-N 2.88Å; K80-G82 PolarHBondContact O-N 2.68Å; G82-K86 WeakPolarHBondContact O-CB 3.36Å; G82-K86 VanDerWaalsContact O-CG 3.3Å; G82-K86 WeakPolarHBondContact O-CG 3.19Å; G82-K86 PolarHBondContact O-N 2.81Å; G82-K86 VanDerWaalsContact O-N 3.11Å
83K97.3Very high97.4Very high162 Ų16283.9 Ų83.970%0.70447%0.466SS*.Hα-helixtrans-62.5-50.2-179.1177168.7173.4150.40111.9L85 K86 D87K83-L85 VanDerWaalsContact C-N 3.34Å; K83-L85 PolarHBondContact O-N 3.35Å; K83-K86 PolarHBondContact O-N 2.93Å; K83-K86 VanDerWaalsContact O-N 3.12Å; K83-D87 WeakPolarHBondContact CE-OD2 3.47Å; K83-D87 WeakPolarHBondContact CG-OD2 3.24Å; K83-D87 PolarHBondContact O-N 2.91Å
84A97.6Very high97.4Very high58 Ų5884.8 Ų84.848%0.47946%0.46SS..Hα-helixtrans-62.7-40.9-17600000111.9G46 K86 D87 A88G46-A84 VanDerWaalsContact O-CB 3.3Å; G46-A84 WeakPolarHBondContact O-CB 3.21Å; G46-A84 PolarHBondContact O-N 3Å; A84-K86 PolarHBondContact O-N 2.85Å; A84-D87 PolarHBondContact O-N 3.23Å; A84-A88 WeakPolarHBondContact O-CB 3.49Å; A84-A88 PolarHBondContact O-N 2.84Å
85L97.9Very high97.3Very high49 Ų4986.7 Ų86.726%0.25747%0.465SS..Hα-helixtrans-63.8-40.2174.4-178.259.4000112.8G46 F47 F79 A81 K83G46-L85 PolarHBondContact O-N 2.97Å; F47-L85 HydrophobicContact CD2-CD1 4.44Å; F47-L85 HydrophobicContact CD2-CD2 4.19Å; F47-L85 HydrophobicContact CE2-CD1 4.03Å; F47-L85 HydrophobicContact CE2-CD2 3.93Å; F47-L85 HydrophobicContact CE2-CG 4.49Å; F47-L85 HydrophobicContact CZ-CD2 4.13Å; F47-L85 WeakPolarHBondContact O-CB 3.42Å; F79-L85 HydrophobicContact CE1-CD2 3.66Å; F79-L85 HydrophobicContact CZ-CD2 3.68Å; A81-L85 HydrophobicContact CB-CD2 3.91Å; A81-L85 HydrophobicContact CB-CG 4.32Å; K83-L85 VanDerWaalsContact C-N 3.34Å; K83-L85 PolarHBondContact O-N 3.35Å
86K98Very high97.3Very high99 Ų9982.6 Ų82.643%0.4345%0.453SS..Hα-helixtrans-66.6-38.8176.3-75.8171.8176.5171.70112.7A81 G82 K83 A84 V89 K90A81-K86 HydrophobicContact CB-CG 3.98Å; A81-K86 WeakPolarHBondContact O-CE 3.38Å; A81-K86 PolarHBondContact O-NZ 3.4Å; G82-K86 WeakPolarHBondContact O-CB 3.36Å; G82-K86 VanDerWaalsContact O-CG 3.3Å; G82-K86 WeakPolarHBondContact O-CG 3.19Å; G82-K86 PolarHBondContact O-N 2.81Å; G82-K86 VanDerWaalsContact O-N 3.11Å; K83-K86 PolarHBondContact O-N 2.93Å; K83-K86 VanDerWaalsContact O-N 3.12Å; A84-K86 PolarHBondContact O-N 2.85Å; K86-V89 WeakPolarHBondContact O-CG2 3.37Å; K86-K90 WeakPolarHBondContact O-CG 3.37Å
87D98Very high97.3Very high67 Ų6786.6 Ų86.636%0.35847%0.474SS..Hα-helixtrans-73.9-30-179.1-68-22.3000111.3K83 A84 V89 K90K83-D87 WeakPolarHBondContact CE-OD2 3.47Å; K83-D87 WeakPolarHBondContact CG-OD2 3.24Å; K83-D87 PolarHBondContact O-N 2.91Å; A84-D87 PolarHBondContact O-N 3.23Å; D87-V89 PolarHBondContact O-N 3.47Å; D87-K90 IonicContact OD1-NZ 2.78Å; D87-K90 PolarHBondContact OD1-NZ 3.1Å
88A97.8Very high97.2Very high80 Ų8085.3 Ų85.366%0.66146%0.459SS*.THydrogen-bonded Turntrans-69.2-10.2175.600000115.1A84A84-A88 WeakPolarHBondContact O-CB 3.49Å; A84-A88 PolarHBondContact O-N 2.84Å
89V96.3Very high97.2Very high115 Ų11590.9 Ų90.970%0.69748%0.484SS*.THydrogen-bonded Turntrans-120.97.3-177.6-58.30000113.8K86 D87K86-V89 WeakPolarHBondContact O-CG2 3.37Å; D87-V89 PolarHBondContact O-N 3.47Å
90K90.1Very high97Very high213 Ų21392 Ų9293%0.92650%0.497SS*.  trans-87.60171-75.4172.4-173.5164.30110.1K86 D87K86-K90 WeakPolarHBondContact O-CG 3.37Å; D87-K90 IonicContact OD1-NZ 2.78Å; D87-K90 PolarHBondContact OD1-NZ 3.1Å

Retrieved 90 of 90 residues in 26.6 ms (Link to these results)

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