Remarks ../../tmp/hicup_complex_10177/FON_par.txt Remarks Created by XPLO2D V. 040616/3.2.2 at Mon Aug 16 17:14:57 2004 for A. Nonymous Remarks Auto-generated by XPLO2D from file ../../tmp/hicup_complex_10177/user.pdb Remarks Parameters for residue type FON Remarks edited by John Cort Remarks angles and bonds are from HIC-Up set echo=false end { edit if necessary } BOND HX3 NX3 1000.0 1.010 !dna N-H BOND HX4 NX4 1000.0 1.080 !protein C-H BOND HX9 CX9 1000.0 1.080 ! BOND HX10 CX10 1000.0 1.080 ! BOND HX11 NX11 1000.0 1.080 ! BOND HX13 CX13 1000.0 1.080 ! BOND HX14 NX14 1000.0 1.080 ! BOND HX16 CX16 1000.0 1.080 ! BOND HX17 CX17 1000.0 1.080 ! BOND HX19 CX19 1000.0 1.080 ! BOND HX20 CX20 1000.0 1.080 ! BOND HX23 NX23 1000.0 1.080 ! BOND HX24 CX24 1000.0 1.080 ! BOND HX25 CX25 1000.0 1.080 ! BOND HX26 CX26 1000.0 1.080 ! BOND HX33 CX33 1000.0 1.080 ! BOND NX1 CX2 1000.0 1.338 ! Nobs = 1 BOND NX1 CX12 1000.0 1.340 ! Nobs = 1 BOND CX2 NX3 1000.0 1.377 ! Nobs = 1 BOND CX2 NX4 1000.0 1.376 ! Nobs = 1 BOND NX4 CX5 1000.0 1.366 ! Nobs = 1 BOND CX5 OX6 1000.0 1.264 ! Nobs = 1 BOND CX5 CX7 1000.0 1.495 ! Nobs = 1 BOND CX7 NX8 1000.0 1.443 ! Nobs = 1 BOND CX7 CX12 1000.0 1.452 ! Nobs = 1 BOND NX8 CX9 1000.0 1.478 ! Nobs = 1 BOND NX8 CX33 1000.0 1.276 ! Nobs = 1 BOND CX9 CX10 1000.0 1.540 ! Nobs = 1 BOND CX9 CX13 1000.0 1.536 ! Nobs = 1 BOND CX10 NX11 1000.0 1.442 ! Nobs = 1 BOND NX11 CX12 1000.0 1.352 ! Nobs = 1 BOND CX13 NX14 1000.0 1.436 ! Nobs = 1 BOND NX14 CX18 1000.0 1.352 ! Nobs = 1 BOND CX15 CX16 1000.0 1.440 ! Nobs = 1 BOND CX15 CX20 1000.0 1.448 ! Nobs = 1 BOND CX15 CX21 1000.0 1.475 ! Nobs = 1 BOND CX16 CX17 1000.0 1.414 ! Nobs = 1 BOND CX17 CX18 1000.0 1.405 ! Nobs = 1 BOND CX18 CX19 1000.0 1.442 ! Nobs = 1 BOND CX19 CX20 1000.0 1.446 ! Nobs = 1 BOND CX21 OX22 1000.0 1.251 ! Nobs = 1 BOND CX21 NX23 1000.0 1.389 ! Nobs = 1 BOND NX23 CX24 1000.0 1.477 ! Nobs = 1 BOND CX24 CX25 1000.0 1.473 ! Nobs = 1 BOND CX24 CX30 1000.0 1.584 ! Nobs = 1 BOND CX25 CX26 1000.0 1.543 ! Nobs = 1 BOND CX26 CX27 1000.0 1.556 ! Nobs = 1 BOND CX27 OX28 1000.0 1.256 ! Nobs = 1 BOND CX27 OX29 1000.0 1.250 ! Nobs = 1 BOND CX30 OX31 1000.0 1.249 ! Nobs = 1 BOND CX30 OX32 1000.0 1.256 ! Nobs = 1 BOND CX33 OX34 1000.0 1.223 ! Nobs = 1 { edit if necessary } ANGLe HX3 NX3 HX3 500.0 119.99 ! ANGLe HX3 NX3 CX2 500.0 120.02 ! ANGLe HX4 NX4 CX2 500.0 119.60 ! ANGLe HX4 NX4 CX5 500.0 119.52 ! ANGLe HX11 NX11 CX10 500.0 116.96 ! ANGLe HX11 NX11 CX12 500.0 116.91 ! ANGLe HX10 CX10 HX10 500.0 108.36 ! ANGLe HX10 CX10 CX9 500.0 110.55 ! ANGLe HX10 CX10 NX11 500.0 108.37 ! ANGLe HX9 CX9 NX8 500.0 104.48 ! ANGLe HX9 CX9 CX10 500.0 113.96 ! ANGLe HX9 CX9 CX13 500.0 117.68 ! ANGLe HX13 CX13 HX13 500.0 105.00 ! ANGLe HX13 CX13 CX9 500.0 113.60 ! ANGLe HX13 CX13 NX14 500.0 105.06 ! ANGLe HX14 NX14 CX13 500.0 119.25 ! ANGLe HX14 NX14 CX18 500.0 119.27 ! ANGLe HX16 CX16 CX15 500.0 120.71 ! ANGLe HX16 CX16 CX17 500.0 120.73 ! ANGLe HX17 CX17 CX16 500.0 120.23 ! ANGLe HX17 CX17 CX18 500.0 120.20 ! ANGLe HX19 CX19 CX18 500.0 121.51 ! ANGLe HX19 CX19 CX20 500.0 121.55 ! ANGLe HX20 CX20 CX15 500.0 118.33 ! ANGLe HX20 CX20 CX19 500.0 118.26 ! ANGLe HX23 NX23 CX21 500.0 117.84 ! ANGLe HX23 NX23 CX24 500.0 117.84 ! ANGLe HX24 CX24 NX23 500.0 107.87 ! ANGLe HX24 CX24 CX25 500.0 111.02 ! ANGLe HX24 CX24 CX30 500.0 103.24 ! ANGLe HX25 CX25 HX25 500.0 107.06 ! ANGLe HX25 CX25 CX24 500.0 111.77 ! ANGLe HX25 CX25 CX26 500.0 107.08 ! ANGLe HX26 CX26 HX26 500.0 111.42 ! ANGLe HX26 CX26 CX25 500.0 107.45 ! ANGLe HX26 CX26 CX27 500.0 106.34 ! ANGLe HX33 CX33 NX8 500.0 116.62 ! ANGLe HX33 CX33 OX34 500.0 116.74 ! ANGLe CX2 NX1 CX12 500.0 121.49 ! Nobs = 1 ANGLe NX1 CX2 NX3 500.0 115.19 ! Nobs = 1 ANGLe NX1 CX2 NX4 500.0 122.46 ! Nobs = 1 ANGLe NX3 CX2 NX4 500.0 122.34 ! Nobs = 1 ANGLe CX2 NX4 CX5 500.0 120.92 ! Nobs = 1 ANGLe NX4 CX5 OX6 500.0 122.50 ! Nobs = 1 ANGLe NX4 CX5 CX7 500.0 118.41 ! Nobs = 1 ANGLe OX6 CX5 CX7 500.0 119.08 ! Nobs = 1 ANGLe CX5 CX7 NX8 500.0 127.40 ! Nobs = 1 ANGLe CX5 CX7 CX12 500.0 115.74 ! Nobs = 1 ANGLe NX8 CX7 CX12 500.0 116.86 ! Nobs = 1 ANGLe CX7 NX8 CX9 500.0 122.24 ! Nobs = 1 ANGLe CX7 NX8 CX33 500.0 117.74 ! Nobs = 1 ANGLe CX9 NX8 CX33 500.0 119.88 ! Nobs = 1 ANGLe NX8 CX9 CX10 500.0 104.50 ! Nobs = 1 ANGLe NX8 CX9 CX13 500.0 108.87 ! Nobs = 1 ANGLe CX10 CX9 CX13 500.0 106.52 ! Nobs = 1 ANGLe CX9 CX10 NX11 500.0 110.59 ! Nobs = 1 ANGLe CX10 NX11 CX12 500.0 126.13 ! Nobs = 1 ANGLe NX1 CX12 CX7 500.0 120.94 ! Nobs = 1 ANGLe NX1 CX12 NX11 500.0 122.77 ! Nobs = 1 ANGLe CX7 CX12 NX11 500.0 116.29 ! Nobs = 1 ANGLe CX9 CX13 NX14 500.0 113.57 ! Nobs = 1 ANGLe CX13 NX14 CX18 500.0 121.49 ! Nobs = 1 ANGLe CX16 CX15 CX20 500.0 117.91 ! Nobs = 1 ANGLe CX16 CX15 CX21 500.0 115.89 ! Nobs = 1 ANGLe CX20 CX15 CX21 500.0 126.18 ! Nobs = 1 ANGLe CX15 CX16 CX17 500.0 123.38 ! Nobs = 1 ANGLe CX16 CX17 CX18 500.0 116.94 ! Nobs = 1 ANGLe NX14 CX18 CX17 500.0 119.01 ! Nobs = 1 ANGLe NX14 CX18 CX19 500.0 118.99 ! Nobs = 1 ANGLe CX17 CX18 CX19 500.0 121.70 ! Nobs = 1 ANGLe CX18 CX19 CX20 500.0 119.55 ! Nobs = 1 ANGLe CX15 CX20 CX19 500.0 118.56 ! Nobs = 1 ANGLe CX15 CX21 OX22 500.0 118.57 ! Nobs = 1 ANGLe CX15 CX21 NX23 500.0 121.56 ! Nobs = 1 ANGLe OX22 CX21 NX23 500.0 119.87 ! Nobs = 1 ANGLe CX21 NX23 CX24 500.0 124.30 ! Nobs = 1 ANGLe NX23 CX24 CX25 500.0 107.89 ! Nobs = 1 ANGLe NX23 CX24 CX30 500.0 117.38 ! Nobs = 1 ANGLe CX25 CX24 CX30 500.0 109.35 ! Nobs = 1 ANGLe CX24 CX25 CX26 500.0 111.77 ! Nobs = 1 ANGLe CX25 CX26 CX27 500.0 117.84 ! Nobs = 1 ANGLe CX26 CX27 OX28 500.0 118.83 ! Nobs = 1 ANGLe CX26 CX27 OX29 500.0 119.92 ! Nobs = 1 ANGLe OX28 CX27 OX29 500.0 121.25 ! Nobs = 1 ANGLe CX24 CX30 OX31 500.0 118.02 ! Nobs = 1 ANGLe CX24 CX30 OX32 500.0 120.84 ! Nobs = 1 ANGLe OX31 CX30 OX32 500.0 121.10 ! Nobs = 1 ANGLe NX8 CX33 OX34 500.0 126.59 ! Nobs = 1 { edit if necessary } DIHEdral CX12 NX1 CX2 NX3 750.0 0 180.00 ! Nobs = 1 ... Value = 178.57 DIHEdral CX12 NX1 CX2 NX4 750.0 0 0.00 ! Nobs = 1 ... Value = -2.83 DIHEdral CX2 NX1 CX12 CX7 750.0 0 0.00 ! Nobs = 1 ... Value = 1.79 DIHEdral CX2 NX1 CX12 NX11 750.0 0 180.00 ! Nobs = 1 ... Value = -178.24 DIHEdral NX1 CX2 NX4 CX5 750.0 0 0.00 ! Nobs = 1 ... Value = 1.98 DIHEdral NX3 CX2 NX4 CX5 750.0 0 180.00 ! Nobs = 1 ... Value = -179.52 DIHEdral CX2 NX4 CX5 OX6 750.0 0 180.00 ! Nobs = 1 ... Value = -179.32 DIHEdral CX2 NX4 CX5 CX7 750.0 0 0.00 ! Nobs = 1 ... Value = -0.17 DIHEdral NX4 CX5 CX7 NX8 750.0 0 180.00 ! Nobs = 1 ... Value = 178.75 DIHEdral NX4 CX5 CX7 CX12 750.0 0 0.00 ! Nobs = 1 ... Value = -0.74 DIHEdral OX6 CX5 CX7 NX8 750.0 0 0.00 ! Nobs = 1 ... Value = -2.07 DIHEdral OX6 CX5 CX7 CX12 750.0 0 180.00 ! Nobs = 1 ... Value = 178.44 DIHEdral CX5 CX7 CX12 NX1 750.0 0 0.00 ! Nobs = 1 ... Value = -0.03 DIHEdral CX5 CX7 CX12 NX11 750.0 0 180.00 ! Nobs = 1 ... Value = 180.00 DIHEdral NX8 CX7 CX12 NX1 750.0 0 180.00 ! Nobs = 1 ... Value = -179.58 DIHEdral NX8 CX7 CX12 NX11 750.0 0 0.00 ! Nobs = 1 ... Value = 0.45 !DIHEdral CX7 NX8 CX9 CX13 750.0 0 -60.00 ! Nobs = 1 ... Value = -66.26 !DIHEdral CX33 NX8 CX9 CX10 750.0 0 -120.00 ! Nobs = 1 ... Value = -128.34 !DIHEdral CX33 NX8 CX9 CX13 750.0 0 120.00 ! Nobs = 1 ... Value = 118.17 !DIHEdral CX7 NX8 CX33 OX34 750.0 0 180.00 ! Nobs = 1 ... Value = -174.10 !DIHEdral CX9 NX8 CX33 OX34 750.0 0 0.00 ! Nobs = 1 ... Value = 1.67 !DIHEdral NX8 CX9 CX10 NX11 750.0 0 -60.00 ! Nobs = 1 ... Value = -51.49 !DIHEdral CX13 CX9 CX10 NX11 750.0 0 60.00 ! Nobs = 1 ... Value = 63.67 !DIHEdral CX10 CX9 CX13 NX14 750.0 0 180.00 ! Nobs = 1 ... Value = 175.48 !DIHEdral CX9 CX13 NX14 CX18 750.0 0 120.00 ! Nobs = 1 ... Value = 129.39 DIHEdral CX20 CX15 CX16 CX17 750.0 0 0.00 ! Nobs = 1 ... Value = -0.45 DIHEdral CX21 CX15 CX16 CX17 750.0 0 180.00 ! Nobs = 1 ... Value = -178.84 DIHEdral CX16 CX15 CX20 CX19 750.0 0 0.00 ! Nobs = 1 ... Value = 9.60 DIHEdral CX21 CX15 CX20 CX19 750.0 0 180.00 ! Nobs = 1 ... Value = -172.19 !DIHEdral CX16 CX15 CX21 OX22 750.0 0 180.00 ! Nobs = 1 ... Value = -178.61 !DIHEdral CX16 CX15 CX21 NX23 750.0 0 0.00 ! Nobs = 1 ... Value = 2.13 !DIHEdral CX20 CX15 CX21 OX22 750.0 0 0.00 ! Nobs = 1 ... Value = 3.15 !DIHEdral CX20 CX15 CX21 NX23 750.0 0 180.00 ! Nobs = 1 ... Value = -176.11 DIHEdral CX16 CX17 CX18 NX14 750.0 0 180.00 ! Nobs = 1 ... Value = -171.71 DIHEdral NX14 CX18 CX19 CX20 750.0 0 180.00 ! Nobs = 1 ... Value = -179.42 DIHEdral CX17 CX18 CX19 CX20 750.0 0 0.00 ! Nobs = 1 ... Value = -5.83 DIHEdral CX18 CX19 CX20 CX15 750.0 0 0.00 ! Nobs = 1 ... Value = DIHEdral OX22 CX21 NX23 CX24 750.0 0 0.00 ! Nobs = 1 ... Value = -6.69 DIHEdral CX21 NX23 CX24 CX30 750.0 0 -90.00 ! Nobs = 1 ... Value = -87.43 !DIHEdral CX30 CX24 CX25 CX26 750.0 0 60.00 ! Nobs = 1 ... Value = 69.07 !DIHEdral NX23 CX24 CX30 OX31 750.0 0 120.00 ! Nobs = 1 ... Value = 121.23 !DIHEdral NX23 CX24 CX30 OX32 750.0 0 -60.00 ! Nobs = 1 ... Value = -60.88 !DIHEdral CX25 CX24 CX30 OX31 750.0 0 -120.00 ! Nobs = 1 ... Value = -115.50 !DIHEdral CX25 CX24 CX30 OX32 750.0 0 60.00 ! Nobs = 1 ... Value = 62.39 DIHEdral HX23 NX23 CX21 OX22 750.0 0 180.00 ! Nobs = 1 ... Value = { edit if necessary } IMPRoper CX2 NX1 NX3 NX4 500.0 0 0.000 ! Nobs = 1 ... Value = -0.774 IMPRoper CX5 NX4 OX6 CX7 500.0 0 0.000 ! Nobs = 1 ... Value = -0.527 IMPRoper CX7 CX5 NX8 CX12 500.0 0 0.000 ! Nobs = 1 ... Value = 0.314 IMPRoper NX8 CX7 CX9 CX33 500.0 0 0.000 ! Nobs = 1 ... Value = -2.472 IMPRoper CX9 NX8 CX10 CX13 500.0 0 35.000 ! Nobs = 1 ... Value = 38.328 IMPRoper CX12 NX1 CX7 NX11 500.0 0 0.000 ! Nobs = 1 ... Value = -0.018 IMPRoper CX15 CX16 CX20 CX21 500.0 0 0.000 ! Nobs = 1 ... Value = 0.964 IMPRoper CX18 NX14 CX17 CX19 500.0 0 0.000 ! Nobs = 1 ... Value = -3.678 IMPRoper CX21 CX15 OX22 NX23 500.0 0 0.000 ! Nobs = 1 ... Value = 0.418 IMPRoper CX24 NX23 CX25 CX30 500.0 0 -35.000 ! Nobs = 1 ... Value = -31.096 IMPRoper CX27 CX26 OX28 OX29 500.0 0 0.000 ! Nobs = 1 ... Value = 0.053 IMPRoper CX30 CX24 OX31 OX32 500.0 0 0.000 ! Nobs = 1 ... Value = -1.155 IMPRoper NX23 HX23 CX21 CX24 500.0 0 0.000 ! Nobs = 1 ... Value = -1.155 IMPRoper HX24 NX23 CX30 CX25 500.0 0 68.89 ! Glu Ca chirality 68.89 IMPRoper HX25 HX25 CX24 CX26 500.0 0 -71.05 ! Stereo CB -71.05 IMPRoper HX26 HX26 CX25 CX27 500.0 0 -68.41 ! Stereo CG -68.41 IMPRoper HX16 CX16 CX17 CX18 500.0 0 180.000 ! aryl ring Hs 180 IMPRoper HX17 CX17 CX18 CX19 500.0 0 180.000 ! aryl ring Hs 180 IMPRoper HX19 CX19 CX20 CX15 500.0 0 180.000 ! aryl ring Hs 180 IMPRoper HX20 CX20 CX15 CX16 500.0 0 180.000 ! aryl ring Hs 180 IMPRoper HX13 HX13 CX9 NX14 500.0 0 -69.41 ! Stereo C9 -69.41 IMPRoper HX10 HX10 CX9 NX11 500.0 0 -70.06 ! Stereo C7 -70.06 IMPRoper CX33 HX33 NX8 OX34 500.0 0 0.000 ! aldehyde H flatness 0.0 IMPRoper HX9 NX8 CX10 CX13 500.0 0 69.590 ! C6 chirality 69.59 IMPRoper HX11 NX11 CX12 CX7 500.0 0 180.000 ! H8 flatness 180 IMPRoper HX4 NX4 CX2 NX1 500.0 0 180.000 ! H3 flatness 180 IMPRoper HX4 CX2 CX5 NX4 500.0 0 0.000 ! H3 flatness 0.0 ! IMPRoper HX14 NX14 CX18 CX19 500.0 0 180.000 ! H10 flatness 180 not flat in 1KL2,1PJ7,1QD1,1WOP IMPRoper HX3 HX3 CX2 NX3 500.0 0 0.000 ! amino flatness 0.0 IMPRoper HX3 NX3 CX2 NX4 500.0 0 0.00 ! amino flatness wrt ring 0.0 { edit if necessary } NONBonded HX3 0.0045 1.6040 0.0045 1.6040 !amino dna(type H2) NONBonded HX4 0.0045 2.6160 0.0045 2.6160 !imino (type HN) NONBonded HX9 0.0045 2.2272 0.0045 2.2272 !aliph protein (HA) NONBonded HX10 0.0045 2.2272 0.0045 2.2272 !aliph protein (HA) NONBonded HX11 0.0045 2.6160 0.0045 2.6160 !imino dna(type HN) NONBonded HX13 0.0045 2.2272 0.0045 2.2272 !aliph protein (HA) NONBonded HX14 0.0045 2.6160 0.0045 2.6160 !imino dna(type HN) NONBonded HX16 0.0045 2.2272 0.0045 2.2272 !aliph protein (HA) NONBonded HX17 0.0045 2.2272 0.0045 2.2272 !aliph protein (HA) NONBonded HX19 0.0045 2.2272 0.0045 2.2272 !aliph protein (HA) NONBonded HX20 0.0045 2.2272 0.0045 2.2272 !aliph protein (HA) NONBonded HX23 0.0498 2.2272 0.0498 2.2272 !amide protein(H) NONBonded HX24 0.0045 2.2272 0.0045 2.2272 !aliph protein (HA) NONBonded HX25 0.0045 2.2272 0.0045 2.2272 !aliph protein (HA) NONBonded HX26 0.0045 2.2272 0.0045 2.2272 !aliph protein (HA) NONBonded HX33 0.0045 2.2272 0.0045 2.2272 !aliph protein (HA) NONBonded NX1 0.2384 2.8509 0.2384 2.8509 ! assuming Nitrogen NONBonded CX2 0.1200 3.7418 0.1000 3.3854 ! assuming Carbon NONBonded NX3 0.2384 2.8509 0.2384 2.8509 ! assuming Nitrogen NONBonded NX4 0.2384 2.8509 0.2384 2.8509 ! assuming Nitrogen NONBonded CX5 0.1200 3.7418 0.1000 3.3854 ! assuming Carbon NONBonded OX6 0.1591 2.8509 0.1591 2.8509 ! assuming Oxygen NONBonded CX7 0.1200 3.7418 0.1000 3.3854 ! assuming Carbon NONBonded NX8 0.2384 2.8509 0.2384 2.8509 ! assuming Nitrogen NONBonded CX9 0.1200 3.7418 0.1000 3.3854 ! assuming Carbon NONBonded CX10 0.1200 3.7418 0.1000 3.3854 ! assuming Carbon NONBonded NX11 0.2384 2.8509 0.2384 2.8509 ! assuming Nitrogen NONBonded CX12 0.1200 3.7418 0.1000 3.3854 ! assuming Carbon NONBonded CX13 0.1200 3.7418 0.1000 3.3854 ! assuming Carbon NONBonded NX14 0.2384 2.8509 0.2384 2.8509 ! assuming Nitrogen NONBonded CX15 0.1200 3.7418 0.1000 3.3854 ! assuming Carbon NONBonded CX16 0.1200 3.7418 0.1000 3.3854 ! assuming Carbon NONBonded CX17 0.1200 3.7418 0.1000 3.3854 ! assuming Carbon NONBonded CX18 0.1200 3.7418 0.1000 3.3854 ! assuming Carbon NONBonded CX19 0.1200 3.7418 0.1000 3.3854 ! assuming Carbon NONBonded CX20 0.1200 3.7418 0.1000 3.3854 ! assuming Carbon NONBonded CX21 0.1200 3.7418 0.1000 3.3854 ! assuming Carbon NONBonded OX22 0.1591 2.8509 0.1591 2.8509 ! assuming Oxygen NONBonded NX23 0.2384 2.8509 0.2384 2.8509 ! assuming Nitrogen NONBonded CX24 0.1200 3.7418 0.1000 3.3854 ! assuming Carbon NONBonded CX25 0.1200 3.7418 0.1000 3.3854 ! assuming Carbon NONBonded CX26 0.1200 3.7418 0.1000 3.3854 ! assuming Carbon NONBonded CX27 0.1200 3.7418 0.1000 3.3854 ! assuming Carbon NONBonded OX28 0.1591 2.8509 0.1591 2.8509 ! assuming Oxygen NONBonded OX29 0.1591 2.8509 0.1591 2.8509 ! assuming Oxygen NONBonded CX30 0.1200 3.7418 0.1000 3.3854 ! assuming Carbon NONBonded OX31 0.1591 2.8509 0.1591 2.8509 ! assuming Oxygen NONBonded OX32 0.1591 2.8509 0.1591 2.8509 ! assuming Oxygen NONBonded CX33 0.1200 3.7418 0.1000 3.3854 ! assuming Carbon NONBonded OX34 0.1591 2.8509 0.1591 2.8509 ! assuming Oxygen set echo=true end