Department of Computer Science | Institute of Theoretical Computer Science | CADMO
Theory of Combinatorial Algorithms
Prof. Emo Welzl and Prof. Bernd Gärtner
Department of Computer Science | Institute of Theoretical Computer Science | CADMO
Prof. Emo Welzl and Prof. Bernd Gärtner
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Lab notebook |
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Table of contents:Uploaded PDB file as 1mbn.pdb
Added H with -build to get 1mbnH.pdb
You can now download the optimized and annotated PDB file with hydrogens or without hydrogens (flips only). These Flipkin kinemages illustrate both flip states for all Asn/Gln/His. Residues that Reduce suggested flipping are marked with stars (*) in the Views menu.
The following residues were flipped automatically by Reduce:
Analysis output: all-atom contacts and geometry for 1mbnH.pdb
Summary statistics
Multi-criterion visualizations
Single-criterion visualizations
REMARK 42You can download your PDB file with REMARK 42 inserted, or the same without hydrogens.REMARK 42 REMARK 42 MOLPROBITY STRUCTURE VALIDATION REMARK 42 PROGRAMS : MOLPROBITY (KING, REDUCE, AND PROBE) REMARK 42 AUTHORS : I.W.DAVIS,J.M.WORD REMARK 42 URL : HTTP://KINEMAGE.BIOCHEM.DUKE.EDU/MOLPROBITY/ REMARK 42 AUTHORS : J.S.RICHARDSON,W.B.ARENDALL,D.C.RICHARDSON REMARK 42 REFERENCE : NEW TOOLS AND DATA FOR IMPROVING REMARK 42 : STRUCTURES, USING ALL-ATOM CONTACTS REMARK 42 : METHODS IN ENZYMOLOGY. 2003;374:385-412. REMARK 42 MOLPROBITY OUTPUT SCORES: REMARK 42 ALL-ATOM CLASHSCORE : 72.67 (72.67 B<40) REMARK 42 BAD ROTAMERS : 15.2% 19/125 (TARGET 0-1%) REMARK 42 RAMACHANDRAN OUTLIERS : 0.7% 1/151 (TARGET 0.2%) REMARK 42 RAMACHANDRAN FAVORED : 81.5% 123/151 (TARGET 98.0%) Uploaded PDB file as 1mbo.pdb
Added H with -build to get 1mboH.pdb
You can now download the optimized and annotated PDB file with hydrogens or without hydrogens (flips only). These Flipkin kinemages illustrate both flip states for all Asn/Gln/His. Residues that Reduce suggested flipping are marked with stars (*) in the Views menu.
The following residues were flipped automatically by Reduce:
Analysis output: all-atom contacts and geometry for 1mboH.pdb
Summary statistics
Multi-criterion visualizations
Single-criterion visualizations
REMARK 42You can download your PDB file with REMARK 42 inserted, or the same without hydrogens.REMARK 42 REMARK 42 MOLPROBITY STRUCTURE VALIDATION REMARK 42 PROGRAMS : MOLPROBITY (KING, REDUCE, AND PROBE) REMARK 42 AUTHORS : I.W.DAVIS,J.M.WORD REMARK 42 URL : HTTP://KINEMAGE.BIOCHEM.DUKE.EDU/MOLPROBITY/ REMARK 42 AUTHORS : J.S.RICHARDSON,W.B.ARENDALL,D.C.RICHARDSON REMARK 42 REFERENCE : NEW TOOLS AND DATA FOR IMPROVING REMARK 42 : STRUCTURES, USING ALL-ATOM CONTACTS REMARK 42 : METHODS IN ENZYMOLOGY. 2003;374:385-412. REMARK 42 MOLPROBITY OUTPUT SCORES: REMARK 42 ALL-ATOM CLASHSCORE : 24.03 (13.23 B<40) REMARK 42 BAD ROTAMERS : 4.0% 5/125 (TARGET 0-1%) REMARK 42 RAMACHANDRAN OUTLIERS : 0.7% 1/151 (TARGET 0.2%) REMARK 42 RAMACHANDRAN FAVORED : 97.4% 147/151 (TARGET 98.0%) Uploaded PDB file as 1mbo-noHOH_clean.pdb
Added H with -build to get 1mbo-noHOHH.pdb
You can now download the optimized and annotated PDB file with hydrogens or without hydrogens (flips only). These Flipkin kinemages illustrate both flip states for all Asn/Gln/His. Residues that Reduce suggested flipping are marked with stars (*) in the Views menu.
The following residues were flipped automatically by Reduce:
Analysis output: all-atom contacts and geometry for 1mbo-noHOHH.pdb
Summary statistics
Multi-criterion visualizations
Single-criterion visualizations
REMARK 42You can download your PDB file with REMARK 42 inserted, or the same without hydrogens.REMARK 42 REMARK 42 MOLPROBITY STRUCTURE VALIDATION REMARK 42 PROGRAMS : MOLPROBITY (KING, REDUCE, AND PROBE) REMARK 42 AUTHORS : I.W.DAVIS,J.M.WORD REMARK 42 URL : HTTP://KINEMAGE.BIOCHEM.DUKE.EDU/MOLPROBITY/ REMARK 42 AUTHORS : J.S.RICHARDSON,W.B.ARENDALL,D.C.RICHARDSON REMARK 42 REFERENCE : NEW TOOLS AND DATA FOR IMPROVING REMARK 42 : STRUCTURES, USING ALL-ATOM CONTACTS REMARK 42 : METHODS IN ENZYMOLOGY. 2003;374:385-412. REMARK 42 MOLPROBITY OUTPUT SCORES: REMARK 42 ALL-ATOM CLASHSCORE : 8.66 (7.44 B<40) REMARK 42 BAD ROTAMERS : 4.0% 5/125 (TARGET 0-1%) REMARK 42 RAMACHANDRAN OUTLIERS : 0.7% 1/151 (TARGET 0.2%) REMARK 42 RAMACHANDRAN FAVORED : 97.4% 147/151 (TARGET 98.0%) Uploaded PDB file as 1ht0.pdb
Added H with -build to get 1ht0H.pdb
You can now download the optimized and annotated PDB file with hydrogens or without hydrogens (flips only). These Flipkin kinemages illustrate both flip states for all Asn/Gln/His. Residues that Reduce suggested flipping are marked with stars (*) in the Views menu.
The following residues were flipped automatically by Reduce:
Analysis output: all-atom contacts and geometry for 1ht0H.pdb
Summary statistics
Multi-criterion visualizations
Single-criterion visualizations
REMARK 42You can download your PDB file with REMARK 42 inserted, or the same without hydrogens.REMARK 42 REMARK 42 MOLPROBITY STRUCTURE VALIDATION REMARK 42 PROGRAMS : MOLPROBITY (KING, REDUCE, AND PROBE) REMARK 42 AUTHORS : I.W.DAVIS,J.M.WORD REMARK 42 URL : HTTP://KINEMAGE.BIOCHEM.DUKE.EDU/MOLPROBITY/ REMARK 42 AUTHORS : J.S.RICHARDSON,W.B.ARENDALL,D.C.RICHARDSON REMARK 42 REFERENCE : NEW TOOLS AND DATA FOR IMPROVING REMARK 42 : STRUCTURES, USING ALL-ATOM CONTACTS REMARK 42 : METHODS IN ENZYMOLOGY. 2003;374:385-412. REMARK 42 MOLPROBITY OUTPUT SCORES: REMARK 42 ALL-ATOM CLASHSCORE : 8.32 (8.11 B<40) REMARK 42 BAD ROTAMERS : 1.0% 6/614 (TARGET 0-1%) REMARK 42 RAMACHANDRAN OUTLIERS : 0.0% 0/744 (TARGET 0.2%) REMARK 42 RAMACHANDRAN FAVORED : 96.4% 717/744 (TARGET 98.0%) | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
