############################################################### ############################################################### ############################################################### ### CCP4 6.3: NCONT version 6.3 : ## ############################################################### User: unknown Run date: 15/11/2013 Run time: 11:17:47 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 phaser_loc0_ALL_poly_ala_trunc_5.53152_rad_3_UNMOD.1_reseq_ren_o[0.0,0.0,0.4259]_joined.pdb has been read in. ------------------------------------------------------------------------------ Input cards Data line--- source A//CA Data line--- target a,b//CA Data line--- maxdist 1.5 Data line--- cells 2 Data line--- sort target inc ------------------------------------------------------------------------------ Selected 115 source atoms Selected 72 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 -y,x-y,z [ -0.5000 -0.8660 0.0000] [ 0.0000] T = [ 0.8660 -0.5000 0.0000] [ 0.0000] [ 0.0000 0.0000 1.0000] [ 0.0000] Operation -x+y,-x,z [ -0.5000 0.8660 0.0000] [ 0.0000] T = [ -0.8660 -0.5000 0.0000] [ 0.0000] [ 0.0000 0.0000 1.0000] [ 0.0000] Operation y,x,-z [ -0.5000 0.8660 -0.0000] [ 0.0000] T = [ 0.8660 0.5000 -0.0000] [ 0.0000] [ 0.0000 0.0000 -1.0000] [ 0.0000] Operation -x,-x+y,-z [ -0.5000 -0.8660 0.0000] [ 0.0000] T = [ -0.8660 0.5000 -0.0000] [ 0.0000] [ 0.0000 0.0000 -1.0000] [ 0.0000] Operation x-y,-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+2/3,Y+1/3,Z+1/3 [ 1.0000 0.0000 0.0000] [ 26.1750] T = [ 0.0000 1.0000 0.0000] [ 15.1121] [ 0.0000 0.0000 1.0000] [ 138.2000] Operation -Y+2/3,X-Y+1/3,Z+1/3 [ -0.5000 -0.8660 0.0000] [ 26.1750] T = [ 0.8660 -0.5000 0.0000] [ 15.1121] [ 0.0000 0.0000 1.0000] [ 138.2000] Operation -X+Y+2/3,-X+1/3,Z+1/3 [ -0.5000 0.8660 0.0000] [ 26.1750] T = [ -0.8660 -0.5000 0.0000] [ 15.1121] [ 0.0000 0.0000 1.0000] [ 138.2000] Operation Y+2/3,X+1/3,-Z+1/3 [ -0.5000 0.8660 -0.0000] [ 26.1750] T = [ 0.8660 0.5000 -0.0000] [ 15.1121] [ 0.0000 0.0000 -1.0000] [ 138.2000] Operation -X+2/3,-X+Y+1/3,-Z+1/3 [ -0.5000 -0.8660 0.0000] [ 26.1750] T = [ -0.8660 0.5000 -0.0000] [ 15.1121] [ 0.0000 0.0000 -1.0000] [ 138.2000] Operation X-Y+2/3,-Y+1/3,-Z+1/3 [ 1.0000 -0.0000 -0.0000] [ 26.1750] T = [ 0.0000 -1.0000 0.0000] [ 15.1121] [ 0.0000 0.0000 -1.0000] [ 138.2000] Operation X+1/3,Y+2/3,Z+2/3 [ 1.0000 0.0000 0.0000] [ 0.0000] T = [ 0.0000 1.0000 0.0000] [ 30.2243] [ 0.0000 0.0000 1.0000] [ 276.4000] Operation -Y+1/3,X-Y+2/3,Z+2/3 [ -0.5000 -0.8660 0.0000] [ 0.0000] T = [ 0.8660 -0.5000 0.0000] [ 30.2243] [ 0.0000 0.0000 1.0000] [ 276.4000] Operation -X+Y+1/3,-X+2/3,Z+2/3 [ -0.5000 0.8660 0.0000] [ 0.0000] T = [ -0.8660 -0.5000 0.0000] [ 30.2243] [ 0.0000 0.0000 1.0000] [ 276.4000] Operation Y+1/3,X+2/3,-Z+2/3 [ -0.5000 0.8660 -0.0000] [ 0.0000] T = [ 0.8660 0.5000 -0.0000] [ 30.2243] [ 0.0000 0.0000 -1.0000] [ 276.4000] Operation -X+1/3,-X+Y+2/3,-Z+2/3 [ -0.5000 -0.8660 0.0000] [ 0.0000] T = [ -0.8660 0.5000 -0.0000] [ 30.2243] [ 0.0000 0.0000 -1.0000] [ 276.4000] Operation X-Y+1/3,-Y+2/3,-Z+2/3 [ 1.0000 -0.0000 -0.0000] [ 0.0000] T = [ 0.0000 -1.0000 0.0000] [ 30.2243] [ 0.0000 0.0000 -1.0000] [ 276.4000] ------------------------------------------------------------------------------ 56 contacts found: SOURCE ATOMS TARGET ATOMS DISTANCE CELL SYMMETRY /1/A/ 59(VAL). / CA [ C]: /1/a/ 70(LEU). / CA [ C]: 1.01 334 X-Y,-Y,-Z+1 /1/A/ 51(GLN). / CA [ C]: /1/a/ 83(THR). / CA [ C]: 0.96 444 -X+1,-X+Y+1,-Z+1 /1/A/ 52(GLN). / CA [ C]: /1/a/ 84(TRP). / CA [ C]: 0.86 444 -X+1,-X+Y+1,-Z+1 /1/A/ 53(HIS). / CA [ C]: /1/a/ 85(MET). / CA [ C]: 0.95 444 -X+1,-X+Y+1,-Z+1 /1/A/ 54(LEU). / CA [ C]: /1/a/ 86(GLU). / CA [ C]: 0.61 444 -X+1,-X+Y+1,-Z+1 /1/A/ 55(LEU). / CA [ C]: /1/a/ 87(TRP). / CA [ C]: 0.28 444 -X+1,-X+Y+1,-Z+1 /1/A/ 56(GLN). / CA [ C]: /1/a/ 88(ASP). / CA [ C]: 0.35 444 -X+1,-X+Y+1,-Z+1 /1/A/ 57(LEU). / CA [ C]: /1/a/ 89(ARG). / CA [ C]: 0.26 444 -X+1,-X+Y+1,-Z+1 /1/A/ 58(THR). / CA [ C]: /1/a/ 90(GLU). / CA [ C]: 0.22 444 -X+1,-X+Y+1,-Z+1 /1/A/ 59(VAL). / CA [ C]: /1/a/ 91(ILE). / CA [ C]: 0.57 444 -X+1,-X+Y+1,-Z+1 /1/A/ 60(TRP). / CA [ C]: /1/a/ 92(ASN). / CA [ C]: 0.55 444 -X+1,-X+Y+1,-Z+1 /1/A/ 61(GLY). / CA [ C]: /1/a/ 93(ASN). / CA [ C]: 0.41 444 -X+1,-X+Y+1,-Z+1 /1/A/ 62(ILE). / CA [ C]: /1/a/ 94(TYR). / CA [ C]: 0.79 444 -X+1,-X+Y+1,-Z+1 /1/A/ 63(LYS). / CA [ C]: /1/a/ 95(THR). / CA [ C]: 0.56 444 -X+1,-X+Y+1,-Z+1 /1/A/ 64(GLN). / CA [ C]: /1/a/ 96(SER). / CA [ C]: 0.57 444 -X+1,-X+Y+1,-Z+1 /1/A/ 65(LEU). / CA [ C]: /1/a/ 97(LEU). / CA [ C]: 0.72 444 -X+1,-X+Y+1,-Z+1 /1/A/ 66(GLN). / CA [ C]: /1/a/ 98(ILE). / CA [ C]: 0.46 444 -X+1,-X+Y+1,-Z+1 /1/A/ 67(ALA). / CA [ C]: /1/a/ 99(HIS). / CA [ C]: 0.59 444 -X+1,-X+Y+1,-Z+1 /1/A/ 68(ARG). / CA [ C]: /1/a/ 100(SER). / CA [ C]: 0.65 444 -X+1,-X+Y+1,-Z+1 /1/A/ 69(ILE). / CA [ C]: /1/a/ 101(LEU). / CA [ C]: 0.70 444 -X+1,-X+Y+1,-Z+1 /1/A/ 70(LEU). / CA [ C]: /1/a/ 102(ILE). / CA [ C]: 0.82 444 -X+1,-X+Y+1,-Z+1 /1/A/ 71(ALA). / CA [ C]: /1/a/ 103(GLU). / CA [ C]: 1.07 444 -X+1,-X+Y+1,-Z+1 /1/A/ 72(VAL). / CA [ C]: /1/a/ 104(GLU). / CA [ C]: 0.66 444 -X+1,-X+Y+1,-Z+1 /1/A/ 73(GLU). / CA [ C]: /1/a/ 105(SER). / CA [ C]: 0.87 444 -X+1,-X+Y+1,-Z+1 /1/A/ 74(ARG). / CA [ C]: /1/a/ 106(GLN). / CA [ C]: 1.19 444 -X+1,-X+Y+1,-Z+1 /1/A/ 75(TYR). / CA [ C]: /1/a/ 107(ASN). / CA [ C]: 1.12 444 -X+1,-X+Y+1,-Z+1 /1/A/ 76(LEU). / CA [ C]: /1/a/ 108(GLN). / CA [ C]: 0.83 444 -X+1,-X+Y+1,-Z+1 /1/A/ 77(LYS). / CA [ C]: /1/a/ 109(GLN). / CA [ C]: 1.48 444 -X+1,-X+Y+1,-Z+1 /1/A/ 41(GLN). / CA [ C]: /1/b/ 83(THR). / CA [ C]: 0.87 443 -X+Y+1,-X+1,Z /1/A/ 42(ASN). / CA [ C]: /1/b/ 84(TRP). / CA [ C]: 0.97 443 -X+Y+1,-X+1,Z /1/A/ 43(ASN). / CA [ C]: /1/b/ 85(MET). / CA [ C]: 0.50 443 -X+Y+1,-X+1,Z /1/A/ 44(LEU). / CA [ C]: /1/b/ 86(GLU). / CA [ C]: 0.95 443 -X+Y+1,-X+1,Z /1/A/ 45(LEU). / CA [ C]: /1/b/ 87(TRP). / CA [ C]: 0.64 443 -X+Y+1,-X+1,Z /1/A/ 46(ARG). / CA [ C]: /1/b/ 88(ASP). / CA [ C]: 0.56 443 -X+Y+1,-X+1,Z /1/A/ 47(ALA). / CA [ C]: /1/b/ 89(ARG). / CA [ C]: 0.33 443 -X+Y+1,-X+1,Z /1/A/ 48(ILE). / CA [ C]: /1/b/ 90(GLU). / CA [ C]: 0.65 443 -X+Y+1,-X+1,Z /1/A/ 49(GLU). / CA [ C]: /1/b/ 91(ILE). / CA [ C]: 0.66 443 -X+Y+1,-X+1,Z /1/A/ 50(ALA). / CA [ C]: /1/b/ 92(ASN). / CA [ C]: 0.47 443 -X+Y+1,-X+1,Z /1/A/ 51(GLN). / CA [ C]: /1/b/ 93(ASN). / CA [ C]: 0.41 443 -X+Y+1,-X+1,Z /1/A/ 52(GLN). / CA [ C]: /1/b/ 94(TYR). / CA [ C]: 0.22 443 -X+Y+1,-X+1,Z /1/A/ 53(HIS). / CA [ C]: /1/b/ 95(THR). / CA [ C]: 0.34 443 -X+Y+1,-X+1,Z /1/A/ 54(LEU). / CA [ C]: /1/b/ 96(SER). / CA [ C]: 0.48 443 -X+Y+1,-X+1,Z /1/A/ 55(LEU). / CA [ C]: /1/b/ 97(LEU). / CA [ C]: 0.35 443 -X+Y+1,-X+1,Z /1/A/ 56(GLN). / CA [ C]: /1/b/ 98(ILE). / CA [ C]: 0.38 443 -X+Y+1,-X+1,Z /1/A/ 57(LEU). / CA [ C]: /1/b/ 99(HIS). / CA [ C]: 0.50 443 -X+Y+1,-X+1,Z /1/A/ 58(THR). / CA [ C]: /1/b/ 100(SER). / CA [ C]: 0.28 443 -X+Y+1,-X+1,Z /1/A/ 59(VAL). / CA [ C]: /1/b/ 101(LEU). / CA [ C]: 0.25 443 -X+Y+1,-X+1,Z /1/A/ 60(TRP). / CA [ C]: /1/b/ 102(ILE). / CA [ C]: 0.26 443 -X+Y+1,-X+1,Z /1/A/ 61(GLY). / CA [ C]: /1/b/ 103(GLU). / CA [ C]: 0.73 443 -X+Y+1,-X+1,Z /1/A/ 62(ILE). / CA [ C]: /1/b/ 104(GLU). / CA [ C]: 0.38 443 -X+Y+1,-X+1,Z /1/A/ 63(LYS). / CA [ C]: /1/b/ 105(SER). / CA [ C]: 0.31 443 -X+Y+1,-X+1,Z /1/A/ 64(GLN). / CA [ C]: /1/b/ 106(GLN). / CA [ C]: 0.69 443 -X+Y+1,-X+1,Z /1/A/ 65(LEU). / CA [ C]: /1/b/ 107(ASN). / CA [ C]: 0.69 443 -X+Y+1,-X+1,Z /1/A/ 66(GLN). / CA [ C]: /1/b/ 108(GLN). / CA [ C]: 0.58 443 -X+Y+1,-X+1,Z /1/A/ 67(ALA). / CA [ C]: /1/b/ 109(GLN). / CA [ C]: 1.12 443 -X+Y+1,-X+1,Z /1/A/ 68(ARG). / CA [ C]: /1/b/ 110(GLU). / CA [ C]: 1.39 443 -X+Y+1,-X+1,Z -------------------------------------------------------------------------- Contact statistics: CELL FRACT COORD-S SYM NO SYM OPERATION NUM OF CONT-S 334 0 0 1 5 X-Y,-Y,-Z+1 1 443 1 1 0 2 -X+Y+1,-X+1,Z 28 444 1 1 1 4 -X+1,-X+Y+1,-Z+1 27 Total 56 contacts -------------------------------------------------------------------------- NCONT: Normal termination Times: User: 0.0s System: 0.0s Elapsed: 0:00