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Conformers: ABBIImiBZICOPNSYNN See the J(S)mol wiki for description of applet controls.
REFINED SOLUTION STRUCTURE OF THE DIMERIC QUADRUPLEX FORMED FROM THE OXYTRICHA TELOMERIC OLIGONUCLEOTIDE D(GGGGTTTTGGGG)

Results of the assignment of 176 detected steps in 8 model(s), can be also downloaded as csv file. Average confal 0, percentile 0.

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Click a row in table or a step in JSmol for analysis of results. Click column headers to sort data.
step numberStep nameCANANtCconfalrmsd
001156d-m1_A_DG1_DG2SYNBBS1640.40BBS1
002156d-m2_A_DG1_DG2SYNBBS1390.36BBS1
003156d-m3_A_DG1_DG2SYNBBS1270.39BBS1
004156d-m4_A_DG1_DG2SYNBBS1430.41BBS1
005156d-m5_A_DG1_DG2SYNBBS1440.34BBS1
006156d-m6_A_DG1_DG2NANNANT00.49AB02
007156d-m7_A_DG1_DG2SYNBBS1690.35BBS1
008156d-m8_A_DG1_DG2NANNANT00.38BBS1
009156d-m1_A_DG2_DG3SYNBB2S290.16BB2S
010156d-m2_A_DG2_DG3NANNANT00.65BB2S
011156d-m3_A_DG2_DG3SYNBB2S530.21BB2S
012156d-m4_A_DG2_DG3SYNBB2S530.19BB2S
013156d-m5_A_DG2_DG3SYNBB2S180.23BB2S
014156d-m6_A_DG2_DG3SYNBB2S270.23BB2S
015156d-m7_A_DG2_DG3NANNANT00.71BB2S
016156d-m8_A_DG2_DG3NANNANT00.61AB1S
017156d-m1_A_DG3_DG4SYNBBS1400.30BBS1
018156d-m2_A_DG3_DG4SYNBBS1150.37BBS1
019156d-m3_A_DG3_DG4SYNBBS1640.33BBS1
020156d-m4_A_DG3_DG4SYNBBS1680.33BBS1
021156d-m5_A_DG3_DG4SYNBBS1490.41BBS1
022156d-m6_A_DG3_DG4SYNBBS1650.28BBS1
023156d-m7_A_DG3_DG4NANNANT00.75BB07
024156d-m8_A_DG3_DG4NANNANT00.39BBS1
025156d-m1_A_DG4_DT5NANNANT00.53BA05
026156d-m2_A_DG4_DT5NANNANT00.55BA05
027156d-m3_A_DG4_DT5NANNANT00.68AB03
028156d-m4_A_DG4_DT5BBBBB01120.42BB01
029156d-m5_A_DG4_DT5NANNANT00.63AB03
030156d-m6_A_DG4_DT5NANNANT00.52BA05
031156d-m7_A_DG4_DT5NANNANT00.62AB03
032156d-m8_A_DG4_DT5NANNANT00.54BA05
033156d-m1_A_DT5_DT6NANNANT00.52AB03
034156d-m2_A_DT5_DT6NANNANT00.56BA05
035156d-m3_A_DT5_DT6BBBBB01230.42BB01
036156d-m4_A_DT5_DT6BBBBB01120.51BB01
037156d-m5_A_DT5_DT6NANNANT00.58AB03
038156d-m6_A_DT5_DT6A-BAB03300.45AB03
039156d-m7_A_DT5_DT6NANNANT00.61BB01
040156d-m8_A_DT5_DT6BBBBB01110.55BB01
041156d-m1_A_DT6_DT7NANNANT01.77AA12
042156d-m2_A_DT6_DT7NANNANT00.52BB20
043156d-m3_A_DT6_DT7NANNANT00.35BB20
044156d-m4_A_DT6_DT7NANNANT00.45BB20
045156d-m5_A_DT6_DT7NANNANT01.75AA12
046156d-m6_A_DT6_DT7NANNANT01.40AA07
047156d-m7_A_DT6_DT7NANNANT01.43AA07
048156d-m8_A_DT6_DT7NANNANT01.41AA07
049156d-m1_A_DT7_DT8NANNANT00.60IC06
050156d-m2_A_DT7_DT8NANNANT00.93OP12
051156d-m3_A_DT7_DT8NANNANT01.00OP12
052156d-m4_A_DT7_DT8NANNANT00.74IC06
053156d-m5_A_DT7_DT8NANNANT00.56IC06
054156d-m6_A_DT7_DT8NANNANT01.15OP11
055156d-m7_A_DT7_DT8NANNANT00.68IC06
056156d-m8_A_DT7_DT8NANNANT01.06OP11
057156d-m1_A_DT8_DG9NANNANT00.27OP1S
058156d-m2_A_DT8_DG9NANNANT00.74OP1S
059156d-m3_A_DT8_DG9NANNANT00.78OP1S
060156d-m4_A_DT8_DG9NANNANT00.38OP1S
061156d-m5_A_DT8_DG9NANNANT01.57OP11
062156d-m6_A_DT8_DG9NANNANT00.49OP1S
063156d-m7_A_DT8_DG9NANNANT00.40OP1S
064156d-m8_A_DT8_DG9NANNANT00.34OP1S
065156d-m1_A_DG9_DG10SYNBBS1680.35BBS1
066156d-m2_A_DG9_DG10SYNBBS1690.29BBS1
067156d-m3_A_DG9_DG10SYNBBS1710.30BBS1
068156d-m4_A_DG9_DG10SYNBBS1690.33BBS1
069156d-m5_A_DG9_DG10SYNBBS1620.41BBS1
070156d-m6_A_DG9_DG10SYNBBS1550.41BBS1
071156d-m7_A_DG9_DG10SYNBBS1710.29BBS1
072156d-m8_A_DG9_DG10SYNBBS1290.47BBS1
073156d-m1_A_DG10_DG11SYNBB2S100.30BB2S
074156d-m2_A_DG10_DG11SYNBB2S330.40BB2S
075156d-m3_A_DG10_DG11SYNBB2S390.36BB2S
076156d-m4_A_DG10_DG11SYNBB2S190.44BB2S
077156d-m5_A_DG10_DG11SYNBB2S180.31BB2S
078156d-m6_A_DG10_DG11NANNANT00.40BB2S
079156d-m7_A_DG10_DG11NANNANT00.37BB2S
080156d-m8_A_DG10_DG11NANNANT00.74AB1S
081156d-m1_A_DG11_DG12SYNBBS1370.35BBS1
082156d-m2_A_DG11_DG12SYNBBS1550.40BBS1
083156d-m3_A_DG11_DG12SYNBBS1530.40BBS1
084156d-m4_A_DG11_DG12SYNBBS1520.38BBS1
085156d-m5_A_DG11_DG12SYNBBS1460.35BBS1
086156d-m6_A_DG11_DG12SYNBBS1480.38BBS1
087156d-m7_A_DG11_DG12SYNBBS1170.37BBS1
088156d-m8_A_DG11_DG12NANNANT00.69AB02
089156d-m1_B_DG13_DG14SYNBBS1640.40BBS1
090156d-m2_B_DG13_DG14SYNBBS1400.36BBS1
091156d-m3_B_DG13_DG14SYNBBS1270.39BBS1
092156d-m4_B_DG13_DG14SYNBBS1450.40BBS1
093156d-m5_B_DG13_DG14SYNBBS1430.35BBS1
094156d-m6_B_DG13_DG14NANNANT00.49AB02
095156d-m7_B_DG13_DG14SYNBBS1690.35BBS1
096156d-m8_B_DG13_DG14NANNANT00.38BBS1
097156d-m1_B_DG14_DG15SYNBB2S290.16BB2S
098156d-m2_B_DG14_DG15NANNANT00.65BB2S
099156d-m3_B_DG14_DG15SYNBB2S530.21BB2S
100156d-m4_B_DG14_DG15SYNBB2S530.19BB2S
101156d-m5_B_DG14_DG15SYNBB2S180.23BB2S
102156d-m6_B_DG14_DG15SYNBB2S260.23BB2S
103156d-m7_B_DG14_DG15NANNANT00.71BB2S
104156d-m8_B_DG14_DG15NANNANT00.61AB1S
105156d-m1_B_DG15_DG16SYNBBS1400.30BBS1
106156d-m2_B_DG15_DG16SYNBBS1160.37BBS1
107156d-m3_B_DG15_DG16SYNBBS1640.33BBS1
108156d-m4_B_DG15_DG16SYNBBS1680.33BBS1
109156d-m5_B_DG15_DG16SYNBBS1490.41BBS1
110156d-m6_B_DG15_DG16SYNBBS1640.28BBS1
111156d-m7_B_DG15_DG16NANNANT00.75BB07
112156d-m8_B_DG15_DG16NANNANT00.39BBS1
113156d-m1_B_DG16_DT17NANNANT00.53BA05
114156d-m2_B_DG16_DT17NANNANT00.55BA05
115156d-m3_B_DG16_DT17NANNANT00.68AB03
116156d-m4_B_DG16_DT17BBBBB01120.42BB01
117156d-m5_B_DG16_DT17NANNANT00.63AB03
118156d-m6_B_DG16_DT17NANNANT00.52BA05
119156d-m7_B_DG16_DT17NANNANT00.62AB03
120156d-m8_B_DG16_DT17NANNANT00.54BA05
121156d-m1_B_DT17_DT18NANNANT00.52AB03
122156d-m2_B_DT17_DT18NANNANT00.56BA05
123156d-m3_B_DT17_DT18BBBBB01230.42BB01
124156d-m4_B_DT17_DT18BBBBB01130.51BB01
125156d-m5_B_DT17_DT18NANNANT00.58AB03
126156d-m6_B_DT17_DT18A-BAB03300.45AB03
127156d-m7_B_DT17_DT18NANNANT00.61BB01
128156d-m8_B_DT17_DT18BBBBB01110.55BB01
129156d-m1_B_DT18_DT19NANNANT01.77AA12
130156d-m2_B_DT18_DT19NANNANT00.52BB20
131156d-m3_B_DT18_DT19NANNANT00.35BB20
132156d-m4_B_DT18_DT19NANNANT00.45BB20
133156d-m5_B_DT18_DT19NANNANT01.75AA12
134156d-m6_B_DT18_DT19NANNANT01.40AA07
135156d-m7_B_DT18_DT19NANNANT01.43AA07
136156d-m8_B_DT18_DT19NANNANT01.41AA07
137156d-m1_B_DT19_DT20NANNANT00.60IC06
138156d-m2_B_DT19_DT20NANNANT00.93OP12
139156d-m3_B_DT19_DT20NANNANT01.00OP12
140156d-m4_B_DT19_DT20NANNANT00.74IC06
141156d-m5_B_DT19_DT20NANNANT00.56IC06
142156d-m6_B_DT19_DT20NANNANT01.15OP11
143156d-m7_B_DT19_DT20NANNANT00.68IC06
144156d-m8_B_DT19_DT20NANNANT01.06OP11
145156d-m1_B_DT20_DG21NANNANT00.27OP1S
146156d-m2_B_DT20_DG21NANNANT00.74OP1S
147156d-m3_B_DT20_DG21NANNANT00.78OP1S
148156d-m4_B_DT20_DG21NANNANT00.38OP1S
149156d-m5_B_DT20_DG21NANNANT01.57OP11
150156d-m6_B_DT20_DG21NANNANT00.50OP1S
151156d-m7_B_DT20_DG21NANNANT00.40OP1S
152156d-m8_B_DT20_DG21NANNANT00.34OP1S
153156d-m1_B_DG21_DG22SYNBBS1680.35BBS1
154156d-m2_B_DG21_DG22SYNBBS1700.29BBS1
155156d-m3_B_DG21_DG22SYNBBS1710.30BBS1
156156d-m4_B_DG21_DG22SYNBBS1690.33BBS1
157156d-m5_B_DG21_DG22SYNBBS1620.41BBS1
158156d-m6_B_DG21_DG22SYNBBS1550.41BBS1
159156d-m7_B_DG21_DG22SYNBBS1710.29BBS1
160156d-m8_B_DG21_DG22SYNBBS1290.47BBS1
161156d-m1_B_DG22_DG23SYNBB2S100.30BB2S
162156d-m2_B_DG22_DG23SYNBB2S330.40BB2S
163156d-m3_B_DG22_DG23SYNBB2S380.36BB2S
164156d-m4_B_DG22_DG23SYNBB2S190.44BB2S
165156d-m5_B_DG22_DG23SYNBB2S180.31BB2S
166156d-m6_B_DG22_DG23NANNANT00.40BB2S
167156d-m7_B_DG22_DG23NANNANT00.37BB2S
168156d-m8_B_DG22_DG23NANNANT00.74AB1S
169156d-m1_B_DG23_DG24SYNBBS1380.35BBS1
170156d-m2_B_DG23_DG24SYNBBS1550.40BBS1
171156d-m3_B_DG23_DG24SYNBBS1530.40BBS1
172156d-m4_B_DG23_DG24SYNBBS1520.38BBS1
173156d-m5_B_DG23_DG24SYNBBS1460.35BBS1
174156d-m6_B_DG23_DG24SYNBBS1490.38BBS1
175156d-m7_B_DG23_DG24SYNBBS1160.37BBS1
176156d-m8_B_DG23_DG24NANNANT00.69AB02

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

© Jiří Černý & Bohdan Schneider

Definition of torsion angles
step:
Table of conformers

δεζα1β1γ1δ1χχ1NCCNNNCC
step_torsions
ntC_average
Δ torsions
torsion scores

commentsstep confal = NaN
cartesian RMSD = NaN Å
pseudorotation: NA
details: NA

Similarity of step to class averages

Drag the plot for panning, scroll to zoom, click a point to show superposition in JSmol.

Download

Results (as csv)
Restraints (default edits file)
Best NtC fitted to input structure.

Definition of the conformers as torsion averages (csv) and their esd values (csv) or as their Cartesian coordinates of the conformers

Download the papers:

description of DNATCO server:
Černý et al., Nucleic Acids Research, 44, W284 (2016).
definition of conformers:
Schneider et al., Acta Cryst D, 74, 52-64 (2018).
example of application:
Schneider et al., Genes, 8(10), 278, (2017).

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