Ligand validation:3D1I

PG4: TETRAETHYLENE GLYCOL

	Best-fitted instance in this entry
	Other instances in this entry

	Best-fitted instance in this entry
	Best-fitted PDB instances with same target (top 5)

	Best-fitted instance in this entry
	Best-fitted PDB instances with different target (top 5)

Identifier	Ranking for goodness of fit	Ranking for geometry	Real space R factor	Real space correlation coefficient	RMSZ-bond-length	RMSZ-bond-angle	Outliers of bond length	Outliers of bond angle	Atomic clashes	Stereochemical errors	Model completeness	Average occupancy
3D1I_PG4_A_1012	10%	80%	0.223	0.843	0.45	0.4	-	-	0	0	38%	19.23
3D1I_PG4_B_1012	8%	66%	0.297	0.811	0.56	0.75	-	-	35	0	77%	0.3846
3D1I_PG4_B_1009	7%	79%	0.254	0.797	0.52	0.34	-	-	1	0	54%	0.2692
3D1I_PG4_B_1011	7%	80%	0.234	0.798	0.38	0.45	-	-	0	0	38%	19.23
3D1I_PG4_A_1011	6%	44%	0.341	0.875	0.8	1.35	-	1	1	0	46%	0.2308
3D1I_PG4_A_1009	2%	76%	0.324	0.669	0.67	0.28	-	-	0	0	46%	0.2308
3FO3_PG4_A_540	52%	87%	0.093	0.945	0.46	0.25	-	-	0	0	46%	0.4615
3OWM_PG4_A_527	38%	70%	0.118	0.901	0.57	0.59	-	-	2	0	54%	0.5385
2ZO5_PG4_A_1013	31%	86%	0.148	0.887	0.45	0.27	-	-	1	0	62%	0.6154
3UU9_PG4_A_614	31%	71%	0.1	0.862	0.64	0.5	-	-	0	0	46%	0.4615
3F29_PG4_A_531	28%	86%	0.158	0.908	0.51	0.22	-	-	1	0	46%	0.4615
3DUU_PG4_D_115	100%	78%	0.021	0.993	0.48	0.41	-	-	2	0	100%	1
3DUR_PG4_B_112	100%	77%	0.025	0.99	0.47	0.45	-	-	0	0	100%	1
5VTA_PG4_A_806	100%	74%	0.029	0.993	0.59	0.41	-	-	0	0	100%	1
3NKZ_PG4_C_122	100%	61%	0.035	0.992	0.7	0.78	-	-	1	0	100%	1
3DUS_PG4_B_114	100%	85%	0.039	0.984	0.45	0.29	-	-	0	0	100%	1

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.