DNATCO v4.1: results

3.4A structure of benzoisoxazole 3 with S.aureus DNA gyrase and DNA

Results of the assignment of 213 detected steps in 1 model(s), can be also downloaded as csv or json file. Average confal 0, percentile 0.

Click a row in table or a step in viewer for analysis of results. Click column headers to sort data.

Define restraints for steps within Å cartesian RMSD, global sigma scaling factor or use per step sigma scaling.

step number	Step name	CANA	NtC	confal	rmsd	NtCs
001	6qx2_E_DG.A1_DA.A2	NAN	NANT	0	0.96	BB10
002	6qx2_E_DG.B1_DA.B2	NAN	NANT	0	0.90	BBS1
003	6qx2_E_DA.A2_DG.A3	NAN	NANT	0	0.57	BB00
004	6qx2_E_DA.B2_DG.B3	NAN	NANT	0	0.61	BB10
005	6qx2_E_DG.A3_DC4	B-A	BA08	77	0.22	BA08
006	6qx2_E_DG.B3_DC4	B-A	BA08	78	0.19	BA08
007	6qx2_E_DC4_DG5	A-B	AB01	26	0.54	AB01
008	6qx2_E_DG5_DT6	BB2	BB08	70	0.28	BB08
009	6qx2_E_DT6_DA7	B-A	BA10	23	0.43	BA10
010	6qx2_E_DA7_DC8	AAA	AA00	72	0.23	AA00
011	6qx2_E_DC8_DG9	NAN	NANT	0	0.76	BA09
012	6qx2_E_DG9_DG10	AAA	AA08	62	0.26	AA08
013	6qx2_E_DG10_DC11	AAA	AA00	61	0.22	AA00
014	6qx2_E_DC11_DC12	AAw	AA10	10	0.35	AA10
015	6qx2_E_DC12_DG13	AAA	AA04	79	0.30	AA04
016	6qx2_E_DG13_DT14	AAA	AA00	65	0.20	AA00
017	6qx2_E_DT14_DA15	A-B	AB05	51	0.39	AB05
018	6qx2_E_DA15_DC16	B-A	BA05	34	0.38	BA05
019	6qx2_E_DC16_DG17	NAN	NANT	0	0.41	AB01
020	6qx2_E_DG17_DC18	B-A	BA05	94	0.29	BA05
021	6qx2_E_DC18_DT19	NAN	NANT	0	0.51	BA10
022	6qx2_F_DG1_DA2	NAN	NANT	0	0.55	BBS1
023	6qx2_F_DA2_DG3	BBB	BB00	55	0.38	BB00
024	6qx2_F_DG3_DC4	B-A	BA08	76	0.19	BA08
025	6qx2_F_DC4_DG5	A-B	AB01	26	0.54	AB01
026	6qx2_F_DG5_DT6	BB2	BB08	70	0.28	BB08
027	6qx2_F_DT6_DA7	NAN	NANT	0	0.44	BA10
028	6qx2_F_DA7_DC8	AAA	AA00	69	0.24	AA00
029	6qx2_F_DG2009_DG2010	AAA	AA08	62	0.28	AA08
030	6qx2_F_DG2010_DC2011	AAA	AA00	53	0.25	AA00
031	6qx2_F_DC2011_DC2012	AAw	AA01	48	0.31	AA01
032	6qx2_F_DC2012_DG2013	AAw	AA01	74	0.28	AA01
033	6qx2_F_DG2013_DT2014	AAA	AA00	70	0.23	AA00
034	6qx2_F_DT2014_DA2015	A-B	AB05	35	0.37	AB05
035	6qx2_F_DA2015_DC2016	B-A	BA05	39	0.34	BA05
036	6qx2_F_DC2016_DG2017	A-B	AB01	14	0.40	AB01
037	6qx2_F_DG2017_DC2018	B-A	BA05	95	0.25	BA05
038	6qx2_F_DC2018_DT2019	AAA	AA02	28	0.43	AA02
039	6qx2_N_DG.A1_DA.A2	NAN	NANT	0	0.73	BB00
040	6qx2_N_DG.B1_DA.B2	NAN	NANT	0	0.72	BBS1
041	6qx2_N_DA.A2_DG.A3	BBB	BB00	63	0.34	BB00
042	6qx2_N_DA.B2_DG.B3	NAN	NANT	0	0.57	BB10
043	6qx2_N_DG.A3_DC4	B-A	BA08	79	0.22	BA08
044	6qx2_N_DG.B3_DC4	B-A	BA08	82	0.18	BA08
045	6qx2_N_DC4_DG5	A-B	AB01	28	0.54	AB01
046	6qx2_N_DG5_DT6	BB2	BB08	69	0.29	BB08
047	6qx2_N_DT6_DA7	B-A	BA10	24	0.41	BA10
048	6qx2_N_DA7_DC8	AAA	AA00	71	0.23	AA00
049	6qx2_N_DG2009_DG2010	AAA	AA08	61	0.25	AA08
050	6qx2_N_DG2010_DC2011	AAA	AA00	52	0.22	AA00
051	6qx2_N_DC2011_DC2012	AAA	AA04	60	0.28	AA04
052	6qx2_N_DC2012_DG2013	AAA	AA04	73	0.36	AA04
053	6qx2_N_DG2013_DT2014	AAA	AA00	66	0.21	AA00
054	6qx2_N_DT2014_DA2015	A-B	AB05	42	0.42	AB05
055	6qx2_N_DA2015_DC2016	B-A	BA05	39	0.34	BA05
056	6qx2_N_DC2016_DG2017	A-B	AB01	16	0.42	AB01
057	6qx2_N_DG2017_DC2018	B-A	BA05	95	0.28	BA05
058	6qx2_N_DC2018_DT2019	NAN	NANT	0	0.47	BB03
059	6qx2_O_DG1_DA2	NAN	NANT	0	0.56	BBS1
060	6qx2_O_DA2_DG3	BBB	BB00	59	0.36	BB00
061	6qx2_O_DG3_DC4	B-A	BA08	78	0.24	BA08
062	6qx2_O_DC4_DG5	A-B	AB01	27	0.51	AB01
063	6qx2_O_DG5_DT6	BB2	BB08	69	0.28	BB08
064	6qx2_O_DT6_DA7	B-A	BA10	26	0.42	BA10
065	6qx2_O_DA7_DC8	AAA	AA00	64	0.26	AA00
066	6qx2_O_DC8_DG9	AAw	AA06	19	0.44	AA06
067	6qx2_O_DG9_DG10	AAA	AA08	66	0.24	AA08
068	6qx2_O_DG10_DC11	AAA	AA00	64	0.23	AA00
069	6qx2_O_DC11_DC12	AAA	AA04	70	0.28	AA04
070	6qx2_O_DC12_DG13	AAw	AA01	64	0.40	AA01
071	6qx2_O_DG13_DT14	AAA	AA00	62	0.26	AA00
072	6qx2_O_DT14_DA15	A-B	AB05	45	0.38	AB05
073	6qx2_O_DA15_DC16	B-A	BA05	37	0.36	BA05
074	6qx2_O_DC16_DG17	A-B	AB01	13	0.40	AB01
075	6qx2_O_DG17_DC18	B-A	BA05	95	0.23	BA05
076	6qx2_O_DC18_DT19	AAA	AA02	23	0.46	AA02
077	6qx2_V_DG1_DA2	NAN	NANT	0	0.52	IC06
078	6qx2_V_DA2_DG3	NAN	NANT	0	0.26	AB02
079	6qx2_V_DG3_DC4	B-A	BA08	76	0.27	BA08
080	6qx2_V_DC4_DG5	A-B	AB01	27	0.55	AB01
081	6qx2_V_DG5_DT6	BB2	BB08	66	0.28	BB08
082	6qx2_V_DT6_DA7	B-A	BA10	26	0.42	BA10
083	6qx2_V_DA7_DC8	AAA	AA00	69	0.24	AA00
084	6qx2_V_DG2009_DG2010	AAA	AA08	58	0.28	AA08
085	6qx2_V_DG2010_DC2011	AAA	AA00	61	0.23	AA00
086	6qx2_V_DC2011_DC2012	AAw	AA10	9	0.39	AA10
087	6qx2_V_DC2012_DG2013	AAA	AA04	55	0.41	AA04
088	6qx2_V_DG2013_DT2014	AAA	AA00	65	0.18	AA00
089	6qx2_V_DT2014_DA2015	A-B	AB05	48	0.39	AB05
090	6qx2_V_DA2015_DC2016	B-A	BA05	39	0.34	BA05
091	6qx2_V_DC2016_DG2017	NAN	NANT	0	0.45	AB01
092	6qx2_V_DG2017_DC2018	B-A	BA05	93	0.29	BA05
093	6qx2_V_DC2018_DT2019	NAN	NANT	0	0.44	BB08
094	6qx2_W_DG1_DA2	NAN	NANT	0	1.03	BBS1
095	6qx2_W_DA2_DG3	BBB	BB00	49	0.39	BB00
096	6qx2_W_DG3_DC4	B-A	BA08	77	0.25	BA08
097	6qx2_W_DC4_DG5	A-B	AB01	33	0.50	AB01
098	6qx2_W_DG5_DT6	BB2	BB08	65	0.30	BB08
099	6qx2_W_DT6_DA7	B-A	BA10	28	0.42	BA10
100	6qx2_W_DA7_DC8	AAA	AA00	67	0.24	AA00
101	6qx2_W_DG2009_DG2010	AAA	AA08	59	0.27	AA08
102	6qx2_W_DG2010_DC2011	AAA	AA00	38	0.25	AA00
103	6qx2_W_DC2011_DC2012	AAA	AA04	28	0.46	AA04
104	6qx2_W_DC2012_DG2013	AAw	AA01	34	0.50	AA01
105	6qx2_W_DG2013_DT2014	AAA	AA00	69	0.24	AA00
106	6qx2_W_DT2014_DA2015	A-B	AB05	44	0.41	AB05
107	6qx2_W_DA2015_DC2016	B-A	BA05	40	0.34	BA05
108	6qx2_W_DC2016_DG2017	A-B	AB01	14	0.42	AB01
109	6qx2_W_DG2017_DC2018	B-A	BA05	95	0.25	BA05
110	6qx2_W_DC2018_DT2019	AAA	AA02	24	0.43	AA02
111	6qx2_W_DT2019_DT2020	NAN	NANT	0	1.20	BB02
112	6qx2_e_DG1_DA2	NAN	NANT	0	1.83	BB17
113	6qx2_e_DA2_DG3	NAN	NANT	0	0.73	BB03
114	6qx2_e_DG3_DC4	B-A	BA08	79	0.19	BA08
115	6qx2_e_DC4_DG5	A-B	AB01	44	0.48	AB01
116	6qx2_e_DG5_DT6	BB2	BB08	67	0.30	BB08
117	6qx2_e_DT6_DA7	B-A	BA10	24	0.46	BA10
118	6qx2_e_DA7_DC8	AAA	AA00	69	0.24	AA00
119	6qx2_e_DC8_DG9	AAw	AA06	10	0.49	AA06
120	6qx2_e_DG9_DG10	AAA	AA08	68	0.22	AA08
121	6qx2_e_DG10_DC11	AAA	AA00	60	0.22	AA00
122	6qx2_e_DC11_DC12	NAN	NANT	0	0.49	AA02
123	6qx2_e_DC12_DG13	NAN	NANT	0	0.72	AA01
124	6qx2_e_DG13_DT14	AAA	AA00	68	0.24	AA00
125	6qx2_e_DT14_DA15	A-B	AB04	87	0.25	AB04
126	6qx2_e_DA15_DC16	B-A	BA05	43	0.32	BA05
127	6qx2_e_DC16_DG17	A-B	AB01	17	0.40	AB01
128	6qx2_e_DG17_DC18	B-A	BA05	94	0.29	BA05
129	6qx2_e_DC18_DT19	NAN	NANT	0	0.55	AA01
130	6qx2_f_DG3_DC4	B-A	BA08	77	0.20	BA08
131	6qx2_f_DC4_DG5	A-B	AB01	26	0.54	AB01
132	6qx2_f_DG5_DT6	BB2	BB08	71	0.27	BB08
133	6qx2_f_DT6_DA7	B-A	BA10	22	0.44	BA10
134	6qx2_f_DA7_DC8	AAA	AA00	63	0.28	AA00
135	6qx2_f_DC8_DG9	AAw	AA10	38	0.23	AA10
136	6qx2_f_DG9_DG10	AAA	AA08	64	0.23	AA08
137	6qx2_f_DG10_DC11	AAA	AA00	61	0.21	AA00
138	6qx2_f_DC11_DC12	NAN	NANT	0	0.37	AA04
139	6qx2_f_DC12_DG13	NAN	NANT	0	0.38	AA06
140	6qx2_f_DG13_DT14	AAA	AA00	71	0.23	AA00
141	6qx2_f_DT14_DA15	A-B	AB05	44	0.38	AB05
142	6qx2_f_DA15_DC16	B-A	BA05	41	0.34	BA05
143	6qx2_f_DC16_DG17	A-B	AB01	19	0.38	AB01
144	6qx2_f_DG17_DC18	B-A	BA05	92	0.22	BA05
145	6qx2_f_DC18_DT19	NAN	NANT	0	0.71	OP15
146	6qx2_n_DG1_DA2	NAN	NANT	0	0.82	AB03
147	6qx2_n_DA2_DG3	BBB	BB00	66	0.32	BB00
148	6qx2_n_DG3_DC4	B-A	BA08	77	0.21	BA08
149	6qx2_n_DC4_DG5	A-B	AB01	30	0.51	AB01
150	6qx2_n_DG5_DT6	BB2	BB08	65	0.28	BB08
151	6qx2_n_DT6_DA7	B-A	BA10	26	0.40	BA10
152	6qx2_n_DA7_DC8	AAA	AA00	70	0.23	AA00
153	6qx2_n_DG2009_DG2010	AAw	AA01	37	0.31	AA01
154	6qx2_n_DG2010_DC2011	AAA	AA00	59	0.26	AA00
155	6qx2_n_DC2011_DC2012	AAA	AA04	72	0.26	AA04
156	6qx2_n_DC2012_DG2013	NAN	NANT	0	0.63	AB02
157	6qx2_n_DG2013_DT2014	AAA	AA00	61	0.20	AA00
158	6qx2_n_DT2014_DA2015	A-B	AB05	47	0.38	AB05
159	6qx2_n_DA2015_DC2016	B-A	BA05	35	0.36	BA05
160	6qx2_n_DC2016_DG2017	NAN	NANT	0	0.42	AB01
161	6qx2_n_DG2017_DC2018	B-A	BA05	96	0.24	BA05
162	6qx2_n_DC2018_DT.A2019	AAA	AA02	28	0.44	AA02
163	6qx2_n_DC2018_DT.B2019	NAN	NANT	0	0.35	BB05
164	6qx2_o_DA2_DG3	BBB	BB00	59	0.36	BB00
165	6qx2_o_DG3_DC4	B-A	BA08	74	0.21	BA08
166	6qx2_o_DC4_DG5	A-B	AB01	26	0.54	AB01
167	6qx2_o_DG5_DT6	BB2	BB08	69	0.27	BB08
168	6qx2_o_DT6_DA7	B-A	BA10	22	0.43	BA10
169	6qx2_o_DA7_DC8	AAA	AA00	68	0.24	AA00
170	6qx2_o_DG2009_DG2010	AAA	AA08	62	0.24	AA08
171	6qx2_o_DG2010_DC2011	AAA	AA00	60	0.21	AA00
172	6qx2_o_DC2011_DC2012	NAN	NANT	0	0.59	BB17
173	6qx2_o_DC2012_DG2013	NAN	NANT	0	0.96	AA05
174	6qx2_o_DG2013_DT2014	AAA	AA00	67	0.24	AA00
175	6qx2_o_DT2014_DA2015	A-B	AB05	46	0.39	AB05
176	6qx2_o_DA2015_DC2016	B-A	BA05	40	0.34	BA05
177	6qx2_o_DC2016_DG2017	A-B	AB01	14	0.41	AB01
178	6qx2_o_DG2017_DC2018	B-A	BA05	95	0.23	BA05
179	6qx2_o_DC2018_DT2019	NAN	NANT	0	0.24	AB03
180	6qx2_v_DA2_DG3	BBB	BB00	76	0.35	BB00
181	6qx2_v_DG3_DC4	B-A	BA08	75	0.21	BA08
182	6qx2_v_DC4_DG5	A-B	AB01	27	0.50	AB01
183	6qx2_v_DG5_DT6	BB2	BB08	66	0.31	BB08
184	6qx2_v_DT6_DA7	B-A	BA10	25	0.42	BA10
185	6qx2_v_DA7_DC8	AAA	AA00	67	0.24	AA00
186	6qx2_v_DG2009_DG2010	AAA	AA08	60	0.25	AA08
187	6qx2_v_DG2010_DC2011	AAA	AA00	63	0.19	AA00
188	6qx2_v_DC2011_DC2012	AAA	AA04	28	0.30	AA04
189	6qx2_v_DC2012_DG2013	AAA	AA04	73	0.37	AA04
190	6qx2_v_DG2013_DT2014	AAA	AA00	52	0.18	AA00
191	6qx2_v_DT2014_DA2015	A-B	AB05	47	0.39	AB05
192	6qx2_v_DA2015_DC2016	B-A	BA05	34	0.36	BA05
193	6qx2_v_DC2016_DG2017	NAN	NANT	0	0.43	AB01
194	6qx2_v_DG2017_DC2018	B-A	BA05	94	0.26	BA05
195	6qx2_v_DC2018_DT.A2019	AAA	AA02	27	0.42	AA02
196	6qx2_v_DC2018_DT.B2019	NAN	NANT	0	0.49	BB05
197	6qx2_w_DG1_DA2	NAN	NANT	0	0.56	BBS1
198	6qx2_w_DA2_DG3	BBB	BB00	54	0.38	BB00
199	6qx2_w_DG3_DC4	B-A	BA08	77	0.23	BA08
200	6qx2_w_DC4_DG5	A-B	AB01	23	0.57	AB01
201	6qx2_w_DG5_DT6	BB2	BB08	67	0.28	BB08
202	6qx2_w_DT6_DA7	B-A	BA10	24	0.43	BA10
203	6qx2_w_DA7_DC8	AAA	AA00	67	0.24	AA00
204	6qx2_w_DG2009_DG2010	AAA	AA08	64	0.23	AA08
205	6qx2_w_DG2010_DC2011	AAA	AA00	65	0.20	AA00
206	6qx2_w_DC2011_DC2012	AAw	AA10	16	0.35	AA10
207	6qx2_w_DC2012_DG2013	AAw	AA01	58	0.32	AA01
208	6qx2_w_DG2013_DT2014	AAA	AA00	67	0.24	AA00
209	6qx2_w_DT2014_DA2015	A-B	AB05	39	0.40	AB05
210	6qx2_w_DA2015_DC2016	B-A	BA05	36	0.36	BA05
211	6qx2_w_DC2016_DG2017	A-B	AB01	12	0.41	AB01
212	6qx2_w_DG2017_DC2018	BBw	BB03	18	0.37	BB03
213	6qx2_w_DC2018_DT2019	NAN	NANT	0	0.54	BA10

Steps with non-standard or missing atoms have not been assigned, description of conformers is defined in the table.

step:
Table of conformers

	δ1	ε1	ζ1	α2	β2	γ2	δ2	χ1	χ2	μ	NN	CC
step_torsions
ntC_average
Δ torsions
torsion scores

comments	step confal = NaN cartesian RMSD = NaN Å pseudorotation: NA details: NA

Similarity of step to class averages

Browse conformers

Show

Color by conformation group (pyramids)

Color by NtC (balls)

A-B

B-A

B

IC

OPN

Z

N

Results of the assignment of 213 detected steps in 1 model(s), can be also downloaded as csv or json file. Average confal 0, percentile 0.

Download

Restraints

User-based restraints

Definitions

Download the papers

Browse conformers

Show

group
visible