############################################################### ############################################################### ############################################################### ### CCP4 6.3: NCONT version 6.3 : ## ############################################################### User: unknown Run date: 21/11/2013 Run time: 19:41:20 Please reference: Collaborative Computational Project, Number 4. 1994. "The CCP4 Suite: Programs for Protein Crystallography". Acta Cryst. D50, 760-763. as well as any specific reference in the program write-up. ------------------------------------------------------------------------------ PDB file /home/jmht/Documents/test/CC/run1/1GMJ/phaser_loc0_ALL_poly_ala_trunc_1.901057_rad_1_UNMOD.1_ren_o[0.0,0.6333,0.5]_joined.pdb has been read in. ------------------------------------------------------------------------------ Input cards Data line--- source A,B,C,D//CA Data line--- target a,b,c,d,e,f//CA Data line--- maxdist 1.5 Data line--- cells 2 Data line--- sort target inc ------------------------------------------------------------------------------ Selected 240 source atoms Selected 120 target atoms Unit cell numbering: 1 2 3 4 5 Symmetry transformation matrices in cell 3: Operation x,y,z [ 1.0000 0.0000 0.0000] [ 0.0000] T = [ 0.0000 1.0000 0.0000] [ 0.0000] [ 0.0000 0.0000 1.0000] [ 0.0000] Operation -x,y+1/2,-z [ -1.0000 0.0000 0.0000] [ 0.0000] T = [ 0.0000 1.0000 -0.0000] [ 26.6450] [ 0.0000 0.0000 -1.0000] [ 0.0000] ------------------------------------------------------------------------------ 83 contacts found: SOURCE ATOMS TARGET ATOMS DISTANCE CELL SYMMETRY /1/B/ 50(GLU). / CA [ C]: /1/a/ 51(ASN). / CA [ C]: 1.01 424 -X+1,Y-1/2,-Z+1 /1/C/ 29(GLU). / CA [ C]: /1/a/ 58(LYS). / CA [ C]: 0.43 424 -X+1,Y-1/2,-Z+1 /1/C/ 30(GLU). / CA [ C]: /1/a/ 59(GLU). / CA [ C]: 0.76 424 -X+1,Y-1/2,-Z+1 /1/C/ 31(GLU). / CA [ C]: /1/a/ 60(ILE). / CA [ C]: 0.61 424 -X+1,Y-1/2,-Z+1 /1/C/ 32(ARG). / CA [ C]: /1/a/ 61(GLU). / CA [ C]: 0.23 424 -X+1,Y-1/2,-Z+1 /1/C/ 33(TYR). / CA [ C]: /1/a/ 62(ARG). / CA [ C]: 0.72 424 -X+1,Y-1/2,-Z+1 /1/C/ 34(PHE). / CA [ C]: /1/a/ 63(LEU). / CA [ C]: 0.26 424 -X+1,Y-1/2,-Z+1 /1/C/ 35(ARG). / CA [ C]: /1/a/ 64(GLN). / CA [ C]: 0.22 424 -X+1,Y-1/2,-Z+1 /1/C/ 36(ALA). / CA [ C]: /1/a/ 65(LYS). / CA [ C]: 0.17 424 -X+1,Y-1/2,-Z+1 /1/C/ 37(ARG). / CA [ C]: /1/a/ 66(GLU). / CA [ C]: 0.25 424 -X+1,Y-1/2,-Z+1 /1/C/ 38(ALA). / CA [ C]: /1/a/ 67(ILE). / CA [ C]: 0.29 424 -X+1,Y-1/2,-Z+1 /1/C/ 39(LYS). / CA [ C]: /1/a/ 68(GLU). / CA [ C]: 0.20 424 -X+1,Y-1/2,-Z+1 /1/C/ 40(GLU). / CA [ C]: /1/a/ 69(ARG). / CA [ C]: 0.25 424 -X+1,Y-1/2,-Z+1 /1/C/ 42(LEU). / CA [ C]: /1/a/ 71(LYS). / CA [ C]: 0.50 424 -X+1,Y-1/2,-Z+1 /1/C/ 43(ALA). / CA [ C]: /1/a/ 72(GLN). / CA [ C]: 0.58 424 -X+1,Y-1/2,-Z+1 /1/C/ 44(ALA). / CA [ C]: /1/a/ 73(SER). / CA [ C]: 1.04 424 -X+1,Y-1/2,-Z+1 /1/A/ 30(GLU). / CA [ C]: /1/b/ 58(LYS). / CA [ C]: 0.79 433 X+1,Y,Z /1/A/ 31(GLU). / CA [ C]: /1/b/ 59(GLU). / CA [ C]: 1.19 433 X+1,Y,Z /1/A/ 32(ARG). / CA [ C]: /1/b/ 60(ILE). / CA [ C]: 0.77 433 X+1,Y,Z /1/A/ 33(TYR). / CA [ C]: /1/b/ 61(GLU). / CA [ C]: 0.17 433 X+1,Y,Z /1/A/ 34(PHE). / CA [ C]: /1/b/ 62(ARG). / CA [ C]: 0.44 433 X+1,Y,Z /1/A/ 35(ARG). / CA [ C]: /1/b/ 63(LEU). / CA [ C]: 0.26 433 X+1,Y,Z /1/A/ 36(ALA). / CA [ C]: /1/b/ 64(GLN). / CA [ C]: 0.25 433 X+1,Y,Z /1/A/ 37(ARG). / CA [ C]: /1/b/ 65(LYS). / CA [ C]: 0.42 433 X+1,Y,Z /1/A/ 38(ALA). / CA [ C]: /1/b/ 66(GLU). / CA [ C]: 0.16 433 X+1,Y,Z /1/A/ 39(LYS). / CA [ C]: /1/b/ 67(ILE). / CA [ C]: 0.26 433 X+1,Y,Z /1/A/ 40(GLU). / CA [ C]: /1/b/ 68(GLU). / CA [ C]: 0.18 433 X+1,Y,Z /1/A/ 41(GLN). / CA [ C]: /1/b/ 69(ARG). / CA [ C]: 0.30 433 X+1,Y,Z /1/A/ 43(ALA). / CA [ C]: /1/b/ 71(LYS). / CA [ C]: 0.28 433 X+1,Y,Z /1/A/ 44(ALA). / CA [ C]: /1/b/ 72(GLN). / CA [ C]: 0.68 433 X+1,Y,Z /1/A/ 45(LEU). / CA [ C]: /1/b/ 73(SER). / CA [ C]: 1.02 433 X+1,Y,Z /1/B/ 33(TYR). / CA [ C]: /1/c/ 58(LYS). / CA [ C]: 0.83 424 -X+1,Y-1/2,-Z+1 /1/B/ 34(PHE). / CA [ C]: /1/c/ 59(GLU). / CA [ C]: 0.90 424 -X+1,Y-1/2,-Z+1 /1/B/ 35(ARG). / CA [ C]: /1/c/ 60(ILE). / CA [ C]: 0.64 424 -X+1,Y-1/2,-Z+1 /1/B/ 36(ALA). / CA [ C]: /1/c/ 61(GLU). / CA [ C]: 0.30 424 -X+1,Y-1/2,-Z+1 /1/B/ 37(ARG). / CA [ C]: /1/c/ 62(ARG). / CA [ C]: 0.66 424 -X+1,Y-1/2,-Z+1 /1/B/ 38(ALA). / CA [ C]: /1/c/ 63(LEU). / CA [ C]: 0.32 424 -X+1,Y-1/2,-Z+1 /1/B/ 39(LYS). / CA [ C]: /1/c/ 64(GLN). / CA [ C]: 0.23 424 -X+1,Y-1/2,-Z+1 /1/B/ 40(GLU). / CA [ C]: /1/c/ 65(LYS). / CA [ C]: 0.29 424 -X+1,Y-1/2,-Z+1 /1/B/ 41(GLN). / CA [ C]: /1/c/ 66(GLU). / CA [ C]: 0.20 424 -X+1,Y-1/2,-Z+1 /1/B/ 42(LEU). / CA [ C]: /1/c/ 67(ILE). / CA [ C]: 0.34 424 -X+1,Y-1/2,-Z+1 /1/B/ 43(ALA). / CA [ C]: /1/c/ 68(GLU). / CA [ C]: 0.34 424 -X+1,Y-1/2,-Z+1 /1/B/ 44(ALA). / CA [ C]: /1/c/ 69(ARG). / CA [ C]: 0.27 424 -X+1,Y-1/2,-Z+1 /1/B/ 46(LYS). / CA [ C]: /1/c/ 71(LYS). / CA [ C]: 0.37 424 -X+1,Y-1/2,-Z+1 /1/B/ 47(LYS). / CA [ C]: /1/c/ 72(GLN). / CA [ C]: 1.14 424 -X+1,Y-1/2,-Z+1 /1/D/ 28(ALA). / CA [ C]: /1/d/ 58(LYS). / CA [ C]: 0.83 322 X,Y-1,Z-1 /1/D/ 29(GLU). / CA [ C]: /1/d/ 59(GLU). / CA [ C]: 0.81 322 X,Y-1,Z-1 /1/D/ 30(GLU). / CA [ C]: /1/d/ 60(ILE). / CA [ C]: 0.65 322 X,Y-1,Z-1 /1/D/ 31(GLU). / CA [ C]: /1/d/ 61(GLU). / CA [ C]: 0.20 322 X,Y-1,Z-1 /1/D/ 32(ARG). / CA [ C]: /1/d/ 62(ARG). / CA [ C]: 0.41 322 X,Y-1,Z-1 /1/D/ 33(TYR). / CA [ C]: /1/d/ 63(LEU). / CA [ C]: 0.24 322 X,Y-1,Z-1 /1/D/ 34(PHE). / CA [ C]: /1/d/ 64(GLN). / CA [ C]: 0.36 322 X,Y-1,Z-1 /1/D/ 35(ARG). / CA [ C]: /1/d/ 65(LYS). / CA [ C]: 0.20 322 X,Y-1,Z-1 /1/D/ 36(ALA). / CA [ C]: /1/d/ 66(GLU). / CA [ C]: 0.36 322 X,Y-1,Z-1 /1/D/ 37(ARG). / CA [ C]: /1/d/ 67(ILE). / CA [ C]: 0.50 322 X,Y-1,Z-1 /1/D/ 38(ALA). / CA [ C]: /1/d/ 68(GLU). / CA [ C]: 0.29 322 X,Y-1,Z-1 /1/D/ 39(LYS). / CA [ C]: /1/d/ 69(ARG). / CA [ C]: 0.65 322 X,Y-1,Z-1 /1/D/ 41(GLN). / CA [ C]: /1/d/ 71(LYS). / CA [ C]: 0.37 322 X,Y-1,Z-1 /1/D/ 42(LEU). / CA [ C]: /1/d/ 72(GLN). / CA [ C]: 1.23 322 X,Y-1,Z-1 /1/C/ 46(LYS). / CA [ C]: /1/e/ 58(LYS). / CA [ C]: 1.31 424 -X+1,Y-1/2,-Z+1 /1/C/ 47(LYS). / CA [ C]: /1/e/ 59(GLU). / CA [ C]: 1.02 424 -X+1,Y-1/2,-Z+1 /1/C/ 48(HIS). / CA [ C]: /1/e/ 60(ILE). / CA [ C]: 0.66 424 -X+1,Y-1/2,-Z+1 /1/C/ 49(LYS). / CA [ C]: /1/e/ 61(GLU). / CA [ C]: 0.54 424 -X+1,Y-1/2,-Z+1 /1/C/ 50(GLU). / CA [ C]: /1/e/ 62(ARG). / CA [ C]: 0.82 424 -X+1,Y-1/2,-Z+1 /1/C/ 51(ASN). / CA [ C]: /1/e/ 63(LEU). / CA [ C]: 0.52 424 -X+1,Y-1/2,-Z+1 /1/C/ 52(GLU). / CA [ C]: /1/e/ 64(GLN). / CA [ C]: 0.18 424 -X+1,Y-1/2,-Z+1 /1/C/ 53(ILE). / CA [ C]: /1/e/ 65(LYS). / CA [ C]: 0.20 424 -X+1,Y-1/2,-Z+1 /1/C/ 54(SER). / CA [ C]: /1/e/ 66(GLU). / CA [ C]: 0.22 424 -X+1,Y-1/2,-Z+1 /1/C/ 55(HIS). / CA [ C]: /1/e/ 67(ILE). / CA [ C]: 0.31 424 -X+1,Y-1/2,-Z+1 /1/C/ 56(HIS). / CA [ C]: /1/e/ 68(GLU). / CA [ C]: 0.45 424 -X+1,Y-1/2,-Z+1 /1/C/ 57(ALA). / CA [ C]: /1/e/ 69(ARG). / CA [ C]: 0.33 424 -X+1,Y-1/2,-Z+1 /1/C/ 59(GLU). / CA [ C]: /1/e/ 71(LYS). / CA [ C]: 0.36 424 -X+1,Y-1/2,-Z+1 /1/C/ 60(ILE). / CA [ C]: /1/e/ 72(GLN). / CA [ C]: 0.40 424 -X+1,Y-1/2,-Z+1 /1/C/ 61(GLU). / CA [ C]: /1/e/ 73(SER). / CA [ C]: 0.69 424 -X+1,Y-1/2,-Z+1 /1/A/ 19(GLY). / CA [ C]: /1/f/ 64(GLN). / CA [ C]: 1.16 433 X+1,Y,Z /1/A/ 20(GLY). / CA [ C]: /1/f/ 65(LYS). / CA [ C]: 1.14 433 X+1,Y,Z /1/A/ 21(ALA). / CA [ C]: /1/f/ 66(GLU). / CA [ C]: 0.65 433 X+1,Y,Z /1/A/ 22(PHE). / CA [ C]: /1/f/ 67(ILE). / CA [ C]: 0.81 433 X+1,Y,Z /1/A/ 23(GLY). / CA [ C]: /1/f/ 68(GLU). / CA [ C]: 0.71 433 X+1,Y,Z /1/A/ 24(LYS). / CA [ C]: /1/f/ 69(ARG). / CA [ C]: 0.50 433 X+1,Y,Z /1/A/ 26(GLU). / CA [ C]: /1/f/ 71(LYS). / CA [ C]: 0.39 433 X+1,Y,Z /1/A/ 27(GLN). / CA [ C]: /1/f/ 72(GLN). / CA [ C]: 0.72 433 X+1,Y,Z /1/A/ 28(ALA). / CA [ C]: /1/f/ 73(SER). / CA [ C]: 0.85 433 X+1,Y,Z -------------------------------------------------------------------------- Contact statistics: CELL FRACT COORD-S SYM NO SYM OPERATION NUM OF CONT-S 322 0 -1 -1 0 X,Y-1,Z-1 14 424 1 -1 1 1 -X+1,Y-1/2,-Z+1 45 433 1 0 0 0 X+1,Y,Z 24 Total 83 contacts -------------------------------------------------------------------------- NCONT: Normal termination Times: User: 0.0s System: 0.0s Elapsed: 0:01