**************************************************************************** File name: 7mqf.pdb no. of peptide chains: 8 [A=201,C=201,E=201,G=201,I=201,K=201,M=201,O=201] no. of DNA/RNA chains: 8 [B=2,D=2,F=2,H=2,J=2,L=2,N=2,P=2] no. of amino acids: 1608 no. of nucleotides: 16 no. of atoms: 12288 no. of waters: 0 no. of metals: 0 **************************************************************************** List of 66 nucleotide/amino-acid interactions id nt-aa nt aa Tdst Rdst Tx Ty Tz Rx Ry Rz 1 7mqf G-leu B.G603 A.LEU31 7.23 -82.42 -4.30 3.46 4.68 54.79 30.55 -56.46 2 7mqf G-phe B.G603 A.PHE80 -11.14 -27.58 -9.35 5.91 -1.37 -21.67 -7.97 -15.18 3 7mqf G-his B.G603 M.HIS205 -6.65 169.41 1.78 6.04 -2.13 -59.82 26.59 167.41 4 7mqf G-gly B.G604 A.GLY30 -7.61 63.00 -3.52 6.29 -2.45 27.03 25.64 51.74 5 7mqf G-leu B.G604 A.LEU31 -7.56 151.96 3.98 4.93 -4.12 40.21 65.82 143.90 6 7mqf G-thr B.G604 G.THR111 8.16 81.83 -6.04 3.24 4.44 74.52 -33.79 1.57 7 7mqf G-tyr B.G604 G.TYR112 5.97 104.12 -0.94 5.80 1.01 44.91 6.15 96.44 8 7mqf G-thr B.G604 G.THR113 4.35 82.68 0.47 1.98 3.84 41.02 -61.07 40.76 9 7mqf G-asp B.G604 G.ASP114 5.02 -63.74 -2.00 -3.87 2.51 0.08 60.90 -19.79 10 7mqf G-leu D.G603 C.LEU31 7.08 -82.52 -4.25 3.41 4.52 55.37 30.80 -55.90 11 7mqf G-phe D.G603 C.PHE80 -11.20 -26.96 -9.33 6.00 -1.51 -20.97 -8.28 -14.87 12 7mqf G-his D.G603 K.HIS205 -6.69 169.51 1.91 6.00 -2.25 -60.24 25.82 167.52 13 7mqf G-thr D.G604 A.THR111 8.11 81.69 -5.97 3.30 4.38 74.25 -33.98 2.63 14 7mqf G-tyr D.G604 A.TYR112 5.96 104.26 -0.86 5.80 1.07 44.15 6.27 96.87 15 7mqf G-thr D.G604 A.THR113 4.38 83.09 0.58 2.04 3.84 40.71 -61.26 41.74 16 7mqf G-gly D.G604 C.GLY30 -7.53 63.00 -3.41 6.24 -2.47 26.46 25.31 52.18 17 7mqf G-leu D.G604 C.LEU31 -7.50 151.92 4.02 4.82 -4.10 39.37 65.97 143.93 18 7mqf G-leu F.G603 E.LEU31 7.18 -83.71 -4.23 3.57 4.57 54.66 32.36 -57.67 19 7mqf G-phe F.G603 E.PHE80 -11.28 -26.53 -9.40 6.10 -1.25 -21.17 -6.08 -14.88 20 7mqf G-his F.G603 I.HIS205 -6.77 169.42 1.97 6.14 -2.06 -57.91 26.05 167.55 21 7mqf G-thr F.G604 C.THR111 8.02 82.45 -5.83 3.18 4.50 75.95 -32.05 1.78 22 7mqf G-tyr F.G604 C.TYR112 5.88 105.99 -0.87 5.70 1.16 46.35 6.61 98.03 23 7mqf G-thr F.G604 C.THR113 4.31 83.08 0.65 1.90 3.81 43.02 -60.07 41.04 24 7mqf G-gly F.G604 E.GLY30 7.39 64.97 -3.39 6.17 -2.25 27.99 26.34 53.41 25 7mqf G-leu F.G604 E.LEU31 -7.35 153.92 3.95 4.83 -3.87 40.36 65.70 146.46 26 7mqf G-leu H.G603 G.LEU31 7.22 -83.03 -4.27 3.55 4.60 54.83 31.57 -56.85 27 7mqf G-phe H.G603 G.PHE80 -11.23 -26.81 -9.37 6.05 -1.29 -21.24 -7.08 -14.85 28 7mqf G-his H.G603 O.HIS205 -6.70 169.50 1.93 6.07 -2.09 -58.94 26.09 167.59 29 7mqf G-thr H.G604 E.THR111 8.06 82.05 -5.88 3.24 4.46 75.12 -32.94 2.10 30 7mqf G-tyr H.G604 E.TYR112 5.92 105.14 -0.86 5.74 1.13 45.37 6.44 97.42 31 7mqf G-thr H.G604 E.THR113 4.35 83.02 0.64 1.96 3.83 41.90 -60.63 41.30 32 7mqf G-gly H.G604 G.GLY30 7.51 63.97 -3.44 6.26 -2.32 27.31 25.97 52.67 33 7mqf G-leu H.G604 G.LEU31 -7.44 152.96 3.97 4.90 -3.95 40.07 65.88 145.21 34 7mqf G-his J.G603 E.HIS205 -6.69 168.77 1.91 6.09 -2.02 -58.59 27.16 166.71 35 7mqf G-leu J.G603 I.LEU31 7.28 -83.47 -4.31 3.59 4.65 54.64 30.86 -58.13 36 7mqf G-phe J.G603 I.PHE80 -11.25 -27.86 -9.37 6.09 -1.26 -21.85 -6.81 -16.00 37 7mqf G-gly J.G604 I.GLY30 7.51 63.86 -3.47 6.25 -2.31 28.43 25.70 52.09 38 7mqf G-leu J.G604 I.LEU31 -7.46 152.77 3.98 4.91 -3.97 41.05 64.89 145.04 39 7mqf G-thr J.G604 O.THR111 8.09 82.74 -5.89 3.18 4.55 75.74 -33.31 0.62 40 7mqf G-tyr J.G604 O.TYR112 5.90 104.81 -0.92 5.71 1.14 46.26 5.66 96.76 41 7mqf G-thr J.G604 O.THR113 4.34 82.86 0.58 1.86 3.88 42.32 -60.99 39.81 42 7mqf G-his L.G603 C.HIS205 -6.67 169.12 1.82 6.10 -1.99 -60.21 26.37 167.04 43 7mqf G-leu L.G603 K.LEU31 7.24 -82.57 -4.34 3.43 4.67 55.17 30.30 -56.47 44 7mqf G-phe L.G603 K.PHE80 -11.18 -27.63 -9.37 5.94 -1.38 -21.45 -8.26 -15.44 45 7mqf G-thr L.G604 I.THR111 8.20 82.08 -6.11 3.25 4.40 74.59 -34.23 1.73 46 7mqf G-tyr L.G604 I.TYR112 6.00 104.03 -0.95 5.85 0.96 44.68 5.76 96.43 47 7mqf G-thr L.G604 I.THR113 4.35 82.98 0.41 2.02 3.84 40.93 -61.51 40.82 48 7mqf G-asp L.G604 I.ASP114 5.00 -63.39 -2.04 -3.86 2.45 0.30 60.52 -19.83 49 7mqf G-gly L.G604 K.GLY30 -7.66 62.75 -3.53 6.32 -2.50 26.98 25.20 51.66 50 7mqf G-leu L.G604 K.LEU31 -7.62 151.67 4.02 4.96 -4.16 39.96 65.52 143.62 51 7mqf G-his N.G603 A.HIS205 -6.73 168.99 1.94 5.98 -2.40 -60.51 25.17 166.90 52 7mqf G-leu N.G603 M.LEU31 6.99 -82.72 -4.14 3.39 4.50 56.11 30.70 -55.54 53 7mqf G-phe N.G603 M.PHE80 -11.11 -26.61 -9.20 6.02 -1.57 -20.29 -8.69 -14.94 54 7mqf G-thr N.G604 K.THR111 8.08 82.17 -6.02 3.16 4.36 74.50 -34.51 3.43 55 7mqf G-tyr N.G604 K.TYR112 5.88 104.48 -0.96 5.71 1.02 43.66 5.75 97.32 56 7mqf G-thr N.G604 K.THR113 4.33 83.87 0.50 1.93 3.85 40.78 -61.93 42.38 57 7mqf G-gly N.G604 M.GLY30 -7.48 62.79 -3.47 6.15 -2.46 26.05 24.67 52.41 58 7mqf G-leu N.G604 M.LEU31 -7.44 151.61 3.92 4.77 -4.14 38.60 65.77 143.67 59 7mqf G-his P.G603 G.HIS205 -6.68 170.09 1.97 6.01 -2.12 -58.66 26.33 168.29 60 7mqf G-leu P.G603 O.LEU31 7.19 -82.70 -4.20 3.66 4.54 54.16 31.85 -56.79 61 7mqf G-phe P.G603 O.PHE80 -11.20 -26.89 -9.31 6.09 -1.30 -21.72 -6.80 -14.42 62 7mqf G-thr P.G604 M.THR111 7.97 81.56 -5.68 3.30 4.52 74.87 -32.31 1.74 63 7mqf G-tyr P.G604 M.TYR112 5.87 105.13 -0.75 5.67 1.29 45.67 7.06 97.27 64 7mqf G-thr P.G604 M.THR113 4.38 82.45 0.83 1.93 3.84 41.91 -59.90 41.12 65 7mqf G-gly P.G604 O.GLY30 7.39 64.21 -3.34 6.23 -2.17 27.36 26.68 52.61 66 7mqf G-leu P.G604 O.LEU31 -7.29 153.30 3.94 4.82 -3.79 40.52 66.38 145.50 **************************************************************************** List of 25 phosphate/amino-acid H-bonds id nt-atom aa-atom dist type 1 7mqf OP1@B.G603 N@A.LEU118 3.33 po4:backbone 2 7mqf OP2@B.G603 NE2@A.HIS79 3.18 po4:sidechain:salt-bridge 3 7mqf OP2@B.G603 NZ@A.LYS103 3.37 po4:sidechain:salt-bridge 4 7mqf OP1@D.G603 N@C.LEU118 3.44 po4:backbone 5 7mqf OP2@D.G603 NE2@C.HIS79 3.24 po4:sidechain:salt-bridge 6 7mqf OP2@D.G603 NZ@C.LYS103 3.29 po4:sidechain:salt-bridge 7 7mqf OP1@F.G603 N@E.LEU118 3.45 po4:backbone 8 7mqf OP2@F.G603 NE2@E.HIS79 3.43 po4:sidechain:salt-bridge 9 7mqf OP2@F.G603 NZ@E.LYS103 3.28 po4:sidechain:salt-bridge 10 7mqf OP1@H.G603 N@G.LEU118 3.40 po4:backbone 11 7mqf OP2@H.G603 NE2@G.HIS79 3.34 po4:sidechain:salt-bridge 12 7mqf OP2@H.G603 NZ@G.LYS103 3.27 po4:sidechain:salt-bridge 13 7mqf OP1@J.G603 N@I.LEU118 3.35 po4:backbone 14 7mqf OP2@J.G603 NE2@I.HIS79 3.25 po4:sidechain:salt-bridge 15 7mqf OP2@J.G603 NZ@I.LYS103 3.24 po4:sidechain:salt-bridge 16 7mqf OP1@L.G603 N@K.LEU118 3.32 po4:backbone 17 7mqf OP2@L.G603 NE2@K.HIS79 3.18 po4:sidechain:salt-bridge 18 7mqf OP2@L.G603 NZ@K.LYS103 3.32 po4:sidechain:salt-bridge 19 7mqf OP1@N.G603 N@M.LEU118 3.36 po4:backbone 20 7mqf OP2@N.G603 NE2@M.HIS79 3.13 po4:sidechain:salt-bridge 21 7mqf OP2@N.G603 NZ@M.LYS103 3.16 po4:sidechain:salt-bridge 22 7mqf OP1@N.G604 O@M.THR26 3.35 po4:backbone 23 7mqf OP1@P.G603 N@O.LEU118 3.48 po4:backbone 24 7mqf OP2@P.G603 NE2@O.HIS79 3.34 po4:sidechain:salt-bridge 25 7mqf OP2@P.G603 NZ@O.LYS103 3.27 po4:sidechain:salt-bridge **************************************************************************** List of 16 sugar/amino-acid H-bonds id nt-atom aa-atom dist type 1 7mqf O4'@B.G603 NE2@M.HIS205 2.97 sugar:sidechain 2 7mqf O2'@B.G604 O@A.THR28 2.65 sugar:backbone 3 7mqf O4'@D.G603 NE2@K.HIS205 2.98 sugar:sidechain 4 7mqf O2'@D.G604 O@C.THR28 2.60 sugar:backbone 5 7mqf O4'@F.G603 NE2@I.HIS205 2.81 sugar:sidechain 6 7mqf O2'@F.G604 O@E.THR28 2.55 sugar:backbone 7 7mqf O4'@H.G603 NE2@O.HIS205 2.85 sugar:sidechain 8 7mqf O2'@H.G604 O@G.THR28 2.63 sugar:backbone 9 7mqf O4'@J.G603 NE2@E.HIS205 2.86 sugar:sidechain 10 7mqf O2'@J.G604 O@I.THR28 2.60 sugar:backbone 11 7mqf O4'@L.G603 NE2@C.HIS205 2.81 sugar:sidechain 12 7mqf O2'@L.G604 O@K.THR28 2.68 sugar:backbone 13 7mqf O4'@N.G603 NE2@A.HIS205 3.08 sugar:sidechain 14 7mqf O2'@N.G604 O@M.THR28 2.55 sugar:backbone 15 7mqf O4'@P.G603 NE2@G.HIS205 2.89 sugar:sidechain 16 7mqf O2'@P.G604 O@O.THR28 2.58 sugar:backbone **************************************************************************** List of 8 base/amino-acid H-bonds id nt-atom aa-atom dist type 1 7mqf N2@B.G604 O@G.THR111 3.52 base:backbone 2 7mqf N2@D.G604 O@A.THR111 3.47 base:backbone 3 7mqf N2@F.G604 O@C.THR111 3.43 base:backbone 4 7mqf N2@H.G604 O@E.THR111 3.44 base:backbone 5 7mqf N2@J.G604 O@O.THR111 3.47 base:backbone 6 7mqf N2@L.G604 O@I.THR111 3.55 base:backbone 7 7mqf N2@N.G604 O@K.THR111 3.39 base:backbone 8 7mqf N2@P.G604 O@M.THR111 3.40 base:backbone **************************************************************************** List of 8 base/amino-acid stacks id nt-aa nt aa vertical-distance plane-angle 1 7mqf G-his B.G603 M.HIS205 3.80 20 2 7mqf G-his D.G603 K.HIS205 3.89 20 3 7mqf G-his F.G603 I.HIS205 3.86 22 4 7mqf G-his H.G603 O.HIS205 3.83 21 5 7mqf G-his J.G603 E.HIS205 3.79 21 6 7mqf G-his L.G603 C.HIS205 3.73 20 7 7mqf G-his N.G603 A.HIS205 3.96 21 8 7mqf G-his P.G603 G.HIS205 3.86 21 **************************************************************************** List of 1 additional files 1 -- 7mqf-baseAA-stacks.pdb