1tgq.A.THR64

Critiques

• whatif RAMCHK value -1.111 < -1.000

Ramachandran

Whatif.RAMCHK.valueList: -1.11 (+- 0.03)

CHK.RAMACHANDRAN_CHK.valueList: -1.28 (+- 0.01)

Janin

Whatif.C12CHK.valueList: -0.65 (+- 0.38)

CHK.CHI1CHI2_CHK.valueList: -0.78 (+- 0.75)

D1D2

CHK.D1D2_CHK.valueList: -0.79 (+- 0.12)

PHI

PHI : average: -59.4 cv: 0.012 || outliers: 1 (models [0])

PSI

PSI : average: -13.8 cv: 0.002 || outliers: 5 (models [17, 8, 4, 3, 1])

CHI1

CHI1 : average: 286.8 cv: 0.042 || outliers: 4 (models [18, 16, 13, 5])

CHI2

CHI2 : average: 351.4 cv: 0.696 || outliers: 4 (models [14, 6, 2, 1])

OMEGA

OMEGA : average: 180.0 cv: 0.000 || outliers: 4 (models [13, 12, 8, 1])

Distance Restraints

set1

#	atom 1	atom 2	low	upp	act	viol	max	c3	Critique
50	A LYS60 QG	A THR64 H	0.0	5.5	4.3+-0.7	0.0+-0.0	0.0	0
69	A ARG62 QB	A THR64 H	0.0	5.5	4.4+-0.1	0.0+-0.0	0.0	0
642	A THR64 MG	A VAL65 H	0.0	5.5	3.9+-0.3	0.0+-0.0	0.0	0
933	A ARG62 H	A THR64 H	0.0	5.5	4.3+-0.2	0.0+-0.0	0.0	0
941	A ALA61 HA	A THR64 H	0.0	5.5	3.4+-0.2	0.0+-0.0	0.0	0
942	A THR64 H	A THR64 HA	0.0	5.5	2.8+-0.0	0.0+-0.0	0.0	0
946	A SER63 QB	A THR64 H	0.0	5.5	2.7+-0.2	0.0+-0.0	0.0	0
947	A THR64 H	A VAL65 H	0.0	5.5	2.7+-0.1	0.0+-0.0	0.0	0
950	A ALA61 MB	A THR64 H	0.0	5.5	4.6+-0.2	0.0+-0.0	0.0	0

set2

#	atom 1	atom 2	low	upp	act	viol	max	c3	Critique
14	A PHE57 QD	A THR64 MG	0.0	5.5	4.0+-0.4	0.0+-0.0	0.0	0
20	A PHE57 QD	A THR64 MG	0.0	5.5	4.0+-0.4	0.0+-0.0	0.0	0

Dihedral Restraints

dihed

#	name	low	upp	act	cv	vAv	vSd	max	c3	Critique
142	PSI	-51.0	-32.6	-13.8	0.0016	18.8	3.4	25.2	20	violSd: 3.36 violMax: 25.24
70	PHI	-86.3	-51.2	-59.4	0.0117	0.5	1.5	6.2	1	violMax: 6.22