1tgq.A.ARG80

Critiques

• whatif C12CHK value -0.983 < -0.900
• whatif RAMCHK value -1.295 < -1.000
• Procheck gf value -2.080 < -1.300
• CING D1D2_CHK value -1.025 < -1.000

Ramachandran

Whatif.RAMCHK.valueList: -1.30 (+- 0.14)

CHK.RAMACHANDRAN_CHK.valueList: -1.12 (+- 0.07)

Janin

Whatif.C12CHK.valueList: -0.98 (+- 0.03)

CHK.CHI1CHI2_CHK.valueList: -0.96 (+- 0.01)

D1D2

CHK.D1D2_CHK.valueList: -1.02 (+- 0.13)

PHI

PHI : average: -145.8 cv: 0.122 || outliers: 3 (models [18, 15, 12])

PSI

PSI : average: 92.0 cv: 0.073 || outliers: 6 (models [19, 18, 17, 15, 12, 9])

CHI1

CHI1 : average: 225.1 cv: 0.127 || outliers: 5 (models [19, 15, 13, 5, 1])

CHI2

CHI2 : average: 96.5 cv: 0.970 || outliers: 8 (models [19, 17, 14, 12, 10, 7, 6, 3])

CHI3

CHI3 : average: 187.1 cv: 0.437 || outliers: 4 (models [18, 8, 6, 3])

CHI4

CHI4 : average: 218.1 cv: 0.626 || outliers: 3 (models [17, 14, 8])

OMEGA

OMEGA : average: 180.0 cv: 0.000 || outliers: 3 (models [6, 1, 0])

Distance Restraints

set1

#	atom 1	atom 2	low	upp	act	viol	max	c3	Critique
1504	A ARG80 HE	A GLU85 QG	0.0	5.5	6.8+-1.5	1.5+-1.2	3.3	15	violMax: 3.28 violSd: 1.16
1503	A ARG80 HE	A THR103 H	0.0	5.5	6.7+-1.7	1.5+-1.2	3.5	15	violMax: 3.48 violSd: 1.21
1550	A ARG80 HE	A ILE86 H	0.0	5.5	9.2+-0.9	3.7+-0.9	4.5	20	violMax: 4.50 violSd: 0.90
61	A ARG80 H	A ARG80 QD	0.0	5.5	4.5+-0.3	0.0+-0.0	0.0	0
162	A ARG80 HA	A GLU85 QG	0.0	5.5	3.3+-0.8	0.0+-0.0	0.0	0
539	A ILE79 QG	A ARG80 H	0.0	5.5	4.3+-0.3	0.0+-0.0	0.0	0
594	A ILE79 MG	A ARG80 H	0.0	5.2	4.0+-0.2	0.0+-0.0	0.0	0
652	A ARG80 QG	A ARG80 HE	0.0	5.5	2.5+-0.4	0.0+-0.0	0.0	0
655	A ARG80 QB	A ARG80 HE	0.0	5.5	3.7+-0.5	0.0+-0.0	0.0	0
1231	A ARG80 HA	A SER81 H	0.0	5.5	2.4+-0.2	0.0+-0.0	0.0	0
1232	A ARG80 HA	A ILE86 H	0.0	5.5	4.9+-0.4	0.0+-0.0	0.0	0
1242	A ARG80 QG	A SER81 H	0.0	5.5	3.8+-0.6	0.0+-0.0	0.0	0
1335	A ARG80 H	A ARG80 HA	0.0	5.5	2.8+-0.1	0.0+-0.0	0.0	0
1336	A ARG80 H	A ARG80 QB	0.0	5.5	2.7+-0.3	0.0+-0.0	0.0	0
1337	A ILE79 HA	A ARG80 H	0.0	5.5	2.6+-0.2	0.0+-0.0	0.0	0
1338	A ILE79 HB	A ARG80 H	0.0	5.5	4.6+-0.1	0.0+-0.0	0.0	0
1339	A ARG80 HE	A ARG80 QH2	0.0	5.5	2.3+-0.0	0.0+-0.0	0.0	0
1348	A ARG80 HE	A ARG80 QH1	0.0	5.5	3.3+-0.0	0.0+-0.0	0.0	0
1368	A ILE79 QG	A ARG80 H	0.0	5.5	4.3+-0.3	0.0+-0.0	0.0	0
1398	A ILE79 MD	A ARG80 H	0.0	5.5	4.2+-0.3	0.0+-0.0	0.0	0
25	A ARG80 HA	A ARG80 HE	0.0	5.5	4.7+-0.7	0.0+-0.0	0.0	0

set2

#	atom 1	atom 2	low	upp	act	viol	max	c3	Critique
62	A LEU77 HA	A ARG80 H	0.0	5.5	4.8+-0.5	0.0+-0.1	0.6	1	violMax: 0.60
63	A LEU77 HA	A ARG80 H	0.0	5.5	4.8+-0.5	0.0+-0.1	0.6	1	violMax: 0.60
39	A PHE76 H	A ARG80 H	0.0	5.5	4.3+-0.5	0.0+-0.0	0.0	0
40	A PHE76 H	A ARG80 H	0.0	5.5	4.3+-0.5	0.0+-0.0	0.0	0
0	A PHE76 QB	A ARG80 H	0.0	5.5	5.1+-0.5	0.0+-0.1	0.3	0
1	A PHE76 QB	A ARG80 H	0.0	5.5	5.1+-0.5	0.0+-0.1	0.3	0

Dihedral Restraints

dihed

#	name	low	upp	act	cv	vAv	vSd	max	c3	Critique
109	PHI	-144.8	-69.2	-145.8	0.1223	11.0	13.4	44.0	10	violMax: 43.99 violSd: 13.40
111	PSI	100.5	142.8	92.0	0.0727	12.7	19.5	66.7	11	violMax: 66.67 violSd: 19.49