Header list of 1c38.pdb file
Complete list - 16 20 Bytes
HEADER DNA 25-JUL-99 1C38
TITLE SOLUTION STRUCTURE OF A QUADRUPLEX FORMING DNA AND ITS INTERMEDIATE
CAVEAT 1C38 SEVEN RIBOSE CARBONS HAVE INCORRECT CHIRALITY
COMPND MOL_ID: 1;
COMPND 2 MOLECULE: DNA (5'-D(*GP*GP*TP*TP*GP*GP*TP*GP*TP*GP*GP*TP*TP*GP*G)-
COMPND 3 3');
COMPND 4 CHAIN: A;
COMPND 5 ENGINEERED: YES;
COMPND 6 OTHER_DETAILS: THROMBIN BINDING APTAMER INTERMEDIATE WITH MULTIPLE
COMPND 7 POTASSIUM MINIMIZATIONS
SOURCE MOL_ID: 1;
SOURCE 2 SYNTHETIC: YES
KEYWDS APTAMER, THROMBIN BINDING, POTASSIUM, METAL ION BINDING SITES,
KEYWDS 2 QUADRUPLEX, INTERMEDIATE, DNA
EXPDTA SOLUTION NMR
AUTHOR P.H.BOLTON,V.M.MARATHIAS,K.WANG
REVDAT 6 16-FEB-22 1C38 1 REMARK LINK
REVDAT 5 24-FEB-09 1C38 1 VERSN
REVDAT 4 16-MAY-00 1C38 1 CAVEAT JRNL
REVDAT 3 29-DEC-99 1C38 1 JRNL
REVDAT 2 29-SEP-99 1C38 1 HETATM
REVDAT 1 25-AUG-99 1C38 0
JRNL AUTH V.M.MARATHIAS,P.H.BOLTON
JRNL TITL STRUCTURES OF THE POTASSIUM-SATURATED, 2:1, AND
JRNL TITL 2 INTERMEDIATE, 1:1, FORMS OF A QUADRUPLEX DNA.
JRNL REF NUCLEIC ACIDS RES. V. 28 1969 2000
JRNL REFN ISSN 0305-1048
JRNL PMID 10756199
JRNL DOI 10.1093/NAR/28.9.1969
REMARK 1
REMARK 1 REFERENCE 1
REMARK 1 AUTH P.H.BOLTON,V.M.MARATHIAS,K.WANG
REMARK 1 TITL DETERMINATION OF THE NUMBER AND LOCATION OF THE MANGANESE
REMARK 1 TITL 2 BINDING SITES OF DNA QUADRUPLEXES IN SOLUTION BY EPR AND NMR
REMARK 1 TITL 3 IN THE PRESENCE AND ABSENCE OF THROMBIN
REMARK 1 REF J.MOL.BIOL. V. 260 378 1996
REMARK 1 REFN ISSN 0022-2836
REMARK 1 DOI 10.1006/JMBI.1996.0408
REMARK 2
REMARK 2 RESOLUTION. NOT APPLICABLE.
REMARK 3
REMARK 3 REFINEMENT.
REMARK 3 PROGRAM : X-PLOR 3.1
REMARK 3 AUTHORS : BRUNGER
REMARK 3
REMARK 3 OTHER REFINEMENT REMARKS: X-PLOR 3.1 WAS USED TO DETERMINE THE
REMARK 3 MINIMUM ENERGY POSITIONS OF THE POTASSIUM IONS. A VAN DER WALLS
REMARK 3 RADIUS OF 1.96 A AND A CHARGE OF PLUS ONE WAS USED FOR EACH
REMARK 3 POTASSIUM ION. A DISTANCE-DEPENDENT DIELECTRIC FUNCTION WAS
REMARK 3 INCLUDED IN THE NON-BONDED TERMS. THE OPTIONS FOR THE DISTANCE-
REMARK 3 DEPENDENT DIELECTRIC FUNCTION USED IN THIS PROTOCOL INVOLVE
REMARK 3 USING A VAN DER WAALS FUNCTION IN COMBINATION WITH A
REMARK 3 ELECTROSTATIC FUNCTION AND A 1/R-DEPENDENT DIELECTRIC FUNCTION,
REMARK 3 WHERE R INDICATES THE DISTANCE BETWEEN ATOMS (COULOMB'S LAW). IN
REMARK 3 ORDER TO SIMULATE AN AQUEOUS ENVIRONMENT, THE DIELECTRIC
REMARK 3 CONSTANT OF THE SYSTEM WAS SET TO 64. THE SWITCHING FUNCTION FOR
REMARK 3 THE NON-BONDED INTERACTIONS WAS ACTIVE BETWEEN 7.5 AND 10.0 A.
REMARK 3 THE NON-BONDED INTERACTION CUT-OFF WAS SET TO BE A SMOOTH
REMARK 3 TRANSITION BETWEEN 0.5 AND 10.0 A. THE DNA/POTASSIUM COMPLEXES
REMARK 3 WERE SUBJECTED TO A 500-STEP MINIMIZATION ALLOWING ONLY THE
REMARK 3 POTASSIUM TO MOVE WHILE THE DNA WAS HELD RIGID. ENERGY
REMARK 3 MINIMIZATION'S WERE RUN WITH VARIOUS STARTING POSITIONS FOR THE
REMARK 3 POTASSIUM IONS IN ORDER TO DETERMINE IF THE INITIAL POSITION HAD
REMARK 3 AN EFFECT ON THE MINIMIZED POSITION. RANDOM STARTING POSITIONS
REMARK 3 OF THE K+ FROM 5 TO 10 A AWAY FROM THE DNA WERE USED AND THE
REMARK 3 FINAL RESULTS WERE FOUND TO BE INDEPENDENT OF THE INITIAL
REMARK 3 COORDINATES OF THE POTASSIUM. THE MINIMIZATIONS WERE CARRIED OUT
REMARK 3 FIRST WITH ONE POTASSIUM ION PER QUADRUPLEX AND THEN WITH TWO
REMARK 3 PER QUADRUPLEX. THE POSITION OF THE FIRST BINDING SITE DID NOT
REMARK 3 CHANGE, UPON ADDITION OF THE SECOND POTASSIUM, FOR EITHER DNA.
REMARK 3 ADDITIONAL MINIMIZATIONS DID NOT CHANGE THE POSITIONS OF THE
REMARK 3 POTASSIUM IONS.
REMARK 4
REMARK 4 1C38 COMPLIES WITH FORMAT V. 3.30, 13-JUL-11
REMARK 100
REMARK 100 THIS ENTRY HAS BEEN PROCESSED BY RCSB ON 04-AUG-99.
REMARK 100 THE DEPOSITION ID IS D_1000009402.
REMARK 210
REMARK 210 EXPERIMENTAL DETAILS
REMARK 210 EXPERIMENT TYPE : NMR
REMARK 210 TEMPERATURE (KELVIN) : NULL
REMARK 210 PH : NULL
REMARK 210 IONIC STRENGTH : NULL
REMARK 210 PRESSURE : NULL
REMARK 210 SAMPLE CONTENTS : NULL
REMARK 210
REMARK 210 NMR EXPERIMENTS CONDUCTED : NULL
REMARK 210 SPECTROMETER FIELD STRENGTH : NULL
REMARK 210 SPECTROMETER MODEL : NULL
REMARK 210 SPECTROMETER MANUFACTURER : NULL
REMARK 210
REMARK 210 STRUCTURE DETERMINATION.
REMARK 210 SOFTWARE USED : NULL
REMARK 210 METHOD USED : THE DNA-POTASSIUM STRUCTURE WAS
REMARK 210 MINIMIZED IN 500 STEPS OF POWELL'
REMARK 210 S CONJUGATE GRADIENT
REMARK 210 MINIMIZATION.
REMARK 210
REMARK 210 CONFORMERS, NUMBER CALCULATED : NULL
REMARK 210 CONFORMERS, NUMBER SUBMITTED : 1
REMARK 210 CONFORMERS, SELECTION CRITERIA : NULL
REMARK 210
REMARK 210 BEST REPRESENTATIVE CONFORMER IN THIS ENSEMBLE : NULL
REMARK 210
REMARK 210 REMARK: THE 10 POTASSIUM POSITIONS IN EACH QUARTET ARE THE LOWEST
REMARK 210 ENERGY POSITION CALCULATED USING X-PLOR AND BASED ON THE REFINED
REMARK 210 SOLUTION STRUCTURE OF THE INTERMEDIATE APTAMER QUADRUPLEX. THE
REMARK 210 DISPERSION OF THE POTASSIUM POSITION INDICATE THE BINDING SITE
REMARK 210 STABILITY.
REMARK 215
REMARK 215 NMR STUDY
REMARK 215 THE COORDINATES IN THIS ENTRY WERE GENERATED FROM SOLUTION
REMARK 215 NMR DATA. PROTEIN DATA BANK CONVENTIONS REQUIRE THAT
REMARK 215 CRYST1 AND SCALE RECORDS BE INCLUDED, BUT THE VALUES ON
REMARK 215 THESE RECORDS ARE MEANINGLESS.
REMARK 300
REMARK 300 BIOMOLECULE: 1
REMARK 300 SEE REMARK 350 FOR THE AUTHOR PROVIDED AND/OR PROGRAM
REMARK 300 GENERATED ASSEMBLY INFORMATION FOR THE STRUCTURE IN
REMARK 300 THIS ENTRY. THE REMARK MAY ALSO PROVIDE INFORMATION ON
REMARK 300 BURIED SURFACE AREA.
REMARK 350
REMARK 350 COORDINATES FOR A COMPLETE MULTIMER REPRESENTING THE KNOWN
REMARK 350 BIOLOGICALLY SIGNIFICANT OLIGOMERIZATION STATE OF THE
REMARK 350 MOLECULE CAN BE GENERATED BY APPLYING BIOMT TRANSFORMATIONS
REMARK 350 GIVEN BELOW. BOTH NON-CRYSTALLOGRAPHIC AND
REMARK 350 CRYSTALLOGRAPHIC OPERATIONS ARE GIVEN.
REMARK 350
REMARK 350 BIOMOLECULE: 1
REMARK 350 AUTHOR DETERMINED BIOLOGICAL UNIT: MONOMERIC
REMARK 350 APPLY THE FOLLOWING TO CHAINS: A
REMARK 350 BIOMT1 1 1.000000 0.000000 0.000000 0.00000
REMARK 350 BIOMT2 1 0.000000 1.000000 0.000000 0.00000
REMARK 350 BIOMT3 1 0.000000 0.000000 1.000000 0.00000
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: CLOSE CONTACTS
REMARK 500
REMARK 500 THE FOLLOWING ATOMS ARE IN CLOSE CONTACT.
REMARK 500
REMARK 500 ATM1 RES C SSEQI ATM2 RES C SSEQI DISTANCE
REMARK 500 K K A 101 K K A 105 0.01
REMARK 500 K K A 106 K K A 109 0.05
REMARK 500 K K A 106 K K A 110 0.05
REMARK 500 K K A 109 K K A 110 0.09
REMARK 500 K K A 101 K K A 102 0.11
REMARK 500 K K A 102 K K A 105 0.11
REMARK 500 K K A 101 K K A 106 0.15
REMARK 500 K K A 105 K K A 106 0.15
REMARK 500 K K A 102 K K A 207 0.16
REMARK 500 K K A 101 K K A 109 0.16
REMARK 500 K K A 105 K K A 109 0.16
REMARK 500 K K A 101 K K A 110 0.17
REMARK 500 K K A 105 K K A 110 0.17
REMARK 500 K K A 101 K K A 207 0.21
REMARK 500 K K A 105 K K A 207 0.21
REMARK 500 K K A 102 K K A 106 0.24
REMARK 500 K K A 102 K K A 109 0.25
REMARK 500 K K A 102 K K A 110 0.28
REMARK 500 K K A 103 K K A 207 0.31
REMARK 500 K K A 106 K K A 207 0.34
REMARK 500 K K A 109 K K A 207 0.35
REMARK 500 K K A 110 K K A 207 0.36
REMARK 500 K K A 107 K K A 203 0.38
REMARK 500 K K A 102 K K A 103 0.42
REMARK 500 K K A 103 K K A 104 0.46
REMARK 500 K K A 101 K K A 103 0.48
REMARK 500 K K A 103 K K A 105 0.49
REMARK 500 K K A 108 K K A 203 0.50
REMARK 500 K K A 102 K K A 104 0.52
REMARK 500 N7 DG A 1 K K A 208 0.53
REMARK 500 K K A 104 K K A 207 0.55
REMARK 500 K K A 103 K K A 109 0.57
REMARK 500 K K A 103 K K A 106 0.58
REMARK 500 K K A 107 K K A 108 0.58
REMARK 500 K K A 103 K K A 206 0.58
REMARK 500 K K A 103 K K A 110 0.60
REMARK 500 K K A 101 K K A 104 0.61
REMARK 500 K K A 104 K K A 105 0.61
REMARK 500 K K A 206 K K A 207 0.66
REMARK 500 K K A 104 K K A 109 0.66
REMARK 500 K K A 104 K K A 106 0.69
REMARK 500 K K A 110 K K A 206 0.70
REMARK 500 K K A 109 K K A 206 0.71
REMARK 500 K K A 106 K K A 206 0.71
REMARK 500 K K A 101 K K A 206 0.72
REMARK 500 K K A 105 K K A 206 0.73
REMARK 500 K K A 104 K K A 110 0.74
REMARK 500 K K A 102 K K A 206 0.75
REMARK 500 K K A 201 K K A 209 0.79
REMARK 500 N7 DG A 1 K K A 202 0.93
REMARK 500
REMARK 500 THIS ENTRY HAS 76 CLOSE CONTACTS
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND LENGTHS
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,2(A3,1X,A1,I4,A1,1X,A4,3X),1X,F6.3)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 RES CSSEQI ATM2 DEVIATION
REMARK 500 DG A 1 O4' DG A 1 C4' 0.069
REMARK 500 DG A 1 N3 DG A 1 C4 0.045
REMARK 500 DG A 1 C6 DG A 1 N1 -0.046
REMARK 500 DG A 1 C8 DG A 1 N9 -0.068
REMARK 500 DG A 1 O3' DG A 2 P 0.119
REMARK 500 DG A 2 P DG A 2 O5' 0.060
REMARK 500 DG A 2 C4' DG A 2 C3' 0.084
REMARK 500 DG A 2 N7 DG A 2 C8 0.043
REMARK 500 DG A 2 C8 DG A 2 N9 -0.049
REMARK 500 DT A 3 P DT A 3 O5' 0.075
REMARK 500 DT A 3 N1 DT A 3 C2 0.050
REMARK 500 DT A 3 C5 DT A 3 C6 0.055
REMARK 500 DT A 4 P DT A 4 O5' 0.071
REMARK 500 DT A 4 C5' DT A 4 C4' 0.061
REMARK 500 DT A 4 O4' DT A 4 C4' 0.079
REMARK 500 DT A 4 C2 DT A 4 N3 0.093
REMARK 500 DT A 4 C5 DT A 4 C7 0.045
REMARK 500 DG A 5 C5' DG A 5 C4' 0.087
REMARK 500 DG A 5 C3' DG A 5 C2' -0.122
REMARK 500 DG A 6 O3' DG A 6 C3' -0.056
REMARK 500 DG A 6 C6 DG A 6 N1 -0.066
REMARK 500 DT A 7 C3' DT A 7 C2' -0.102
REMARK 500 DT A 7 C5 DT A 7 C6 -0.076
REMARK 500 DG A 8 C4' DG A 8 C3' 0.061
REMARK 500 DT A 9 O4' DT A 9 C4' 0.064
REMARK 500 DT A 9 N1 DT A 9 C2 0.073
REMARK 500 DT A 9 C5 DT A 9 C7 0.083
REMARK 500 DG A 10 C5' DG A 10 C4' 0.064
REMARK 500 DG A 10 C4' DG A 10 C3' 0.095
REMARK 500 DG A 10 O4' DG A 10 C1' 0.097
REMARK 500 DG A 10 N7 DG A 10 C8 -0.039
REMARK 500 DG A 11 C5' DG A 11 C4' -0.070
REMARK 500 DG A 11 C2 DG A 11 N2 -0.080
REMARK 500 DT A 12 C5' DT A 12 C4' 0.076
REMARK 500 DT A 12 C3' DT A 12 C2' 0.122
REMARK 500 DT A 13 C5' DT A 13 C4' 0.047
REMARK 500 DT A 13 O4' DT A 13 C1' 0.073
REMARK 500 DG A 14 C4 DG A 14 C5 -0.043
REMARK 500 DG A 14 C5 DG A 14 N7 -0.074
REMARK 500 DG A 15 C5 DG A 15 N7 -0.052
REMARK 500
REMARK 500 REMARK: NULL
REMARK 500
REMARK 500 GEOMETRY AND STEREOCHEMISTRY
REMARK 500 SUBTOPIC: COVALENT BOND ANGLES
REMARK 500
REMARK 500 THE STEREOCHEMICAL PARAMETERS OF THE FOLLOWING RESIDUES
REMARK 500 HAVE VALUES WHICH DEVIATE FROM EXPECTED VALUES BY MORE
REMARK 500 THAN 6*RMSD (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN
REMARK 500 IDENTIFIER; SSEQ=SEQUENCE NUMBER; I=INSERTION CODE).
REMARK 500
REMARK 500 STANDARD TABLE:
REMARK 500 FORMAT: (10X,I3,1X,A3,1X,A1,I4,A1,3(1X,A4,2X),12X,F5.1)
REMARK 500
REMARK 500 EXPECTED VALUES PROTEIN: ENGH AND HUBER, 1999
REMARK 500 EXPECTED VALUES NUCLEIC ACID: CLOWNEY ET AL 1996
REMARK 500
REMARK 500 M RES CSSEQI ATM1 ATM2 ATM3
REMARK 500 DG A 1 O4' - C4' - C3' ANGL. DEV. = 4.4 DEGREES
REMARK 500 DG A 1 C4' - C3' - C2' ANGL. DEV. = -5.5 DEGREES
REMARK 500 DG A 1 O4' - C1' - N9 ANGL. DEV. = 9.6 DEGREES
REMARK 500 DG A 1 C5 - N7 - C8 ANGL. DEV. = -3.1 DEGREES
REMARK 500 DG A 1 N7 - C8 - N9 ANGL. DEV. = 3.9 DEGREES
REMARK 500 DG A 2 O4' - C4' - C3' ANGL. DEV. = -3.5 DEGREES
REMARK 500 DG A 2 O4' - C1' - C2' ANGL. DEV. = -14.1 DEGREES
REMARK 500 DG A 2 O4' - C1' - N9 ANGL. DEV. = 13.6 DEGREES
REMARK 500 DG A 2 C6 - N1 - C2 ANGL. DEV. = 4.4 DEGREES
REMARK 500 DG A 2 N1 - C2 - N3 ANGL. DEV. = -4.2 DEGREES
REMARK 500 DG A 2 C4 - C5 - N7 ANGL. DEV. = 2.5 DEGREES
REMARK 500 DG A 2 C5 - N7 - C8 ANGL. DEV. = -5.5 DEGREES
REMARK 500 DG A 2 N7 - C8 - N9 ANGL. DEV. = 4.5 DEGREES
REMARK 500 DG A 2 C6 - C5 - N7 ANGL. DEV. = -4.0 DEGREES
REMARK 500 DG A 2 C5 - C6 - O6 ANGL. DEV. = 3.8 DEGREES
REMARK 500 DT A 3 C3' - C2' - C1' ANGL. DEV. = -6.0 DEGREES
REMARK 500 DT A 3 O4' - C1' - C2' ANGL. DEV. = 4.5 DEGREES
REMARK 500 DT A 3 N1 - C2 - O2 ANGL. DEV. = 5.0 DEGREES
REMARK 500 DT A 3 N3 - C2 - O2 ANGL. DEV. = -6.1 DEGREES
REMARK 500 DT A 4 P - O5' - C5' ANGL. DEV. = 12.4 DEGREES
REMARK 500 DT A 4 O4' - C1' - C2' ANGL. DEV. = -10.2 DEGREES
REMARK 500 DT A 4 O4' - C1' - N1 ANGL. DEV. = 4.8 DEGREES
REMARK 500 DT A 4 C6 - N1 - C2 ANGL. DEV. = 4.6 DEGREES
REMARK 500 DT A 4 C4 - C5 - C6 ANGL. DEV. = 7.8 DEGREES
REMARK 500 DT A 4 C5 - C6 - N1 ANGL. DEV. = -5.7 DEGREES
REMARK 500 DT A 4 C6 - C5 - C7 ANGL. DEV. = -8.8 DEGREES
REMARK 500 DG A 5 C1' - O4' - C4' ANGL. DEV. = -6.4 DEGREES
REMARK 500 DG A 5 N1 - C6 - O6 ANGL. DEV. = -4.5 DEGREES
REMARK 500 DG A 5 C3' - O3' - P ANGL. DEV. = 9.9 DEGREES
REMARK 500 DG A 6 O5' - P - OP2 ANGL. DEV. = 7.8 DEGREES
REMARK 500 DG A 6 C4' - C3' - C2' ANGL. DEV. = -6.0 DEGREES
REMARK 500 DG A 6 O4' - C1' - C2' ANGL. DEV. = -8.1 DEGREES
REMARK 500 DG A 6 N9 - C1' - C2' ANGL. DEV. = 9.9 DEGREES
REMARK 500 DG A 6 O4' - C1' - N9 ANGL. DEV. = -4.6 DEGREES
REMARK 500 DG A 6 C4 - C5 - N7 ANGL. DEV. = 2.4 DEGREES
REMARK 500 DG A 6 C5 - N7 - C8 ANGL. DEV. = -3.5 DEGREES
REMARK 500 DT A 7 O4' - C1' - C2' ANGL. DEV. = -12.7 DEGREES
REMARK 500 DT A 7 O4' - C1' - N1 ANGL. DEV. = 9.2 DEGREES
REMARK 500 DT A 7 C4 - C5 - C6 ANGL. DEV. = 5.9 DEGREES
REMARK 500 DT A 7 C5 - C6 - N1 ANGL. DEV. = -4.0 DEGREES
REMARK 500 DT A 7 C4 - C5 - C7 ANGL. DEV. = -4.2 DEGREES
REMARK 500 DG A 8 P - O5' - C5' ANGL. DEV. = 9.7 DEGREES
REMARK 500 DG A 8 O4' - C4' - C3' ANGL. DEV. = -2.6 DEGREES
REMARK 500 DG A 8 C1' - O4' - C4' ANGL. DEV. = 4.5 DEGREES
REMARK 500 DG A 8 O4' - C1' - C2' ANGL. DEV. = -9.4 DEGREES
REMARK 500 DG A 8 O4' - C1' - N9 ANGL. DEV. = -6.8 DEGREES
REMARK 500 DG A 8 C2 - N3 - C4 ANGL. DEV. = -5.0 DEGREES
REMARK 500 DG A 8 N3 - C4 - N9 ANGL. DEV. = -4.2 DEGREES
REMARK 500 DT A 9 O4' - C4' - C3' ANGL. DEV. = 3.7 DEGREES
REMARK 500 DT A 9 C1' - O4' - C4' ANGL. DEV. = -6.4 DEGREES
REMARK 500
REMARK 500 THIS ENTRY HAS 96 ANGLE DEVIATIONS.
REMARK 500
REMARK 500 REMARK: NULL
REMARK 620
REMARK 620 METAL COORDINATION
REMARK 620 (M=MODEL NUMBER; RES=RESIDUE NAME; C=CHAIN IDENTIFIER;
REMARK 620 SSEQ=SEQUENCE NUMBER; I=INSERTION CODE):
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 K A 107 K
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 DG A 1 N7
REMARK 620 2 DG A 15 N2 50.9
REMARK 620 3 DG A 15 N1 73.5 38.0
REMARK 620 4 K A 202 K 15.8 50.8 63.4
REMARK 620 5 K A 204 K 99.3 76.3 38.3 84.4
REMARK 620 6 K A 205 K 45.8 60.0 49.3 30.0 56.5
REMARK 620 7 K A 208 K 6.0 45.2 69.9 17.8 98.2 47.2
REMARK 620 8 K A 209 K 159.1 148.8 118.7 152.1 84.9 127.4 165.1
REMARK 620 9 K A 210 K 14.1 63.3 79.6 16.2 97.9 41.5 19.9 145.3
REMARK 620 N 1 2 3 4 5 6 7 8
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 K A 108 K
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 DG A 1 N7
REMARK 620 2 DG A 1 O6 55.1
REMARK 620 3 DT A 9 O4 93.5 59.2
REMARK 620 4 DG A 15 N2 51.2 55.4 114.6
REMARK 620 5 DG A 15 N1 77.0 42.6 89.5 37.3
REMARK 620 6 K A 201 K 155.6 121.9 104.9 105.6 87.1
REMARK 620 7 K A 202 K 16.4 39.2 80.2 51.2 67.5 154.3
REMARK 620 8 K A 204 K 110.4 58.9 69.6 75.2 38.3 63.2 96.6
REMARK 620 9 K A 208 K 7.4 55.7 99.1 44.4 72.5 148.2 19.5 107.8
REMARK 620 N 1 2 3 4 5 6 7 8
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 K A 202 K
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 DG A 1 O6
REMARK 620 2 DG A 1 N1 47.0
REMARK 620 3 DG A 1 N3 88.2 41.2
REMARK 620 4 DG A 1 N9 132.8 86.3 45.2
REMARK 620 5 DG A 15 N2 80.4 118.8 141.4 128.6
REMARK 620 6 DG A 15 N1 47.7 94.6 135.2 167.6 41.0
REMARK 620 7 K A 203 K 88.9 125.9 147.7 133.1 69.3 55.1
REMARK 620 8 K A 204 K 57.3 97.7 133.8 158.3 67.7 33.7 31.6
REMARK 620 9 K A 205 K 72.5 107.6 135.5 142.5 75.6 48.6 18.4 17.0
REMARK 620 N 1 2 3 4 5 6 7 8
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 K A 203 K
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 DG A 1 O6
REMARK 620 2 DG A 1 N7 55.2
REMARK 620 3 DT A 9 O4 55.6 86.8
REMARK 620 4 DG A 15 N2 58.6 55.6 114.1
REMARK 620 5 DG A 15 N3 81.3 95.0 125.3 39.5
REMARK 620 6 DG A 15 N1 43.3 81.9 86.2 41.9 40.6
REMARK 620 7 K A 204 K 58.5 113.5 59.3 86.5 70.3 44.6
REMARK 620 8 K A 208 K 56.0 6.3 91.9 49.8 89.1 78.5 113.3
REMARK 620 9 K A 209 K 134.8 154.0 85.4 149.0 109.7 122.2 83.4 158.7
REMARK 620 N 1 2 3 4 5 6 7 8
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 K A 204 K
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 DG A 1 O6
REMARK 620 2 DT A 9 O4 65.9
REMARK 620 3 DG A 15 N2 59.0 116.4
REMARK 620 4 DG A 15 N3 91.7 154.8 38.5
REMARK 620 5 DG A 15 N7 119.8 140.4 95.5 60.1
REMARK 620 6 DG A 15 O6 68.9 91.4 96.5 91.0 60.6
REMARK 620 7 DG A 15 N1 53.8 119.5 32.0 41.0 75.7 64.9
REMARK 620 8 K A 205 K 56.0 67.2 57.0 91.2 151.3 124.9 82.2
REMARK 620 9 K A 209 K 131.1 88.2 104.7 99.3 106.7 156.6 134.3 76.2
REMARK 620 N 1 2 3 4 5 6 7 8
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 K A 205 K
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 DG A 1 O6
REMARK 620 2 DG A 1 N7 75.5
REMARK 620 3 DT A 9 O4 75.5 114.8
REMARK 620 4 DG A 15 N2 72.6 62.7 147.5
REMARK 620 5 DG A 15 O6 57.9 129.8 72.6 85.1
REMARK 620 6 DG A 15 N1 58.7 101.3 110.6 45.4 39.9
REMARK 620 7 K A 208 K 78.9 9.7 124.5 54.7 128.9 95.9
REMARK 620 8 K A 209 K 150.5 134.0 88.6 116.9 93.9 106.5 130.0
REMARK 620 9 K A 210 K 84.4 19.0 102.0 81.2 142.3 120.0 26.6 123.6
REMARK 620 N 1 2 3 4 5 6 7 8
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 K A 208 K
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 DG A 1 O6
REMARK 620 2 DG A 1 N9 104.2
REMARK 620 3 DG A 15 N2 72.8 145.6
REMARK 620 4 DG A 15 N1 43.1 146.9 38.5
REMARK 620 N 1 2 3
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 K A 210 K
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 DG A 1 O6
REMARK 620 2 DG A 1 N1 37.0
REMARK 620 3 DG A 1 N9 106.9 74.3
REMARK 620 4 DG A 15 N2 64.1 92.9 113.4
REMARK 620 N 1 2 3
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 K A 101 K
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 DG A 2 O6
REMARK 620 2 DG A 2 N1 42.0
REMARK 620 3 DT A 4 N3 61.2 61.8
REMARK 620 4 DT A 4 O4 69.1 40.4 38.0
REMARK 620 5 DG A 5 O6 79.2 119.7 81.6 119.5
REMARK 620 6 DG A 11 N1 126.4 162.9 128.4 156.4 56.0
REMARK 620 7 DG A 11 O6 133.9 126.4 164.8 137.5 101.6 48.0
REMARK 620 8 DT A 13 O4 113.3 103.7 52.4 63.8 85.6 92.7 112.7
REMARK 620 9 DT A 13 N3 116.0 80.5 68.8 47.0 130.3 115.3 98.6 44.7
REMARK 620 N 1 2 3 4 5 6 7 8
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 K A 102 K
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 DG A 2 O6
REMARK 620 2 DG A 2 N1 41.6
REMARK 620 3 DT A 4 N3 59.8 61.0
REMARK 620 4 DG A 5 N1 46.6 86.8 64.7
REMARK 620 5 DG A 5 O6 80.6 120.4 80.5 34.0
REMARK 620 6 DG A 11 N1 129.7 166.6 127.2 88.2 56.8
REMARK 620 7 DG A 11 O6 139.3 127.7 160.5 128.5 104.0 48.8
REMARK 620 8 DT A 13 O4 110.6 101.1 51.0 95.8 84.1 91.8 110.1
REMARK 620 9 DT A 13 N3 113.3 79.0 66.9 130.5 127.0 113.5 96.3 42.9
REMARK 620 N 1 2 3 4 5 6 7 8
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 K A 103 K
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 DG A 2 O6
REMARK 620 2 DG A 2 N1 34.9
REMARK 620 3 DG A 5 O6 78.3 111.0
REMARK 620 4 DG A 11 N1 138.3 170.7 66.0
REMARK 620 5 DG A 11 O6 140.1 120.3 124.2 59.8
REMARK 620 6 DT A 13 O4 96.5 87.6 84.8 100.7 116.3
REMARK 620 7 DT A 13 N3 98.8 71.1 123.2 118.1 94.1 38.6
REMARK 620 8 DG A 14 O6 81.4 46.9 156.0 137.4 79.7 84.9 48.0
REMARK 620 9 DG A 14 N1 113.3 81.2 167.7 101.7 44.1 97.6 61.1 36.1
REMARK 620 N 1 2 3 4 5 6 7 8
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 K A 104 K
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 DG A 2 O6
REMARK 620 2 DG A 2 N1 39.5
REMARK 620 3 DG A 5 O6 73.2 109.9
REMARK 620 4 DG A 11 N1 129.3 167.9 58.0
REMARK 620 5 DG A 11 O6 165.2 140.4 109.7 51.8
REMARK 620 6 DT A 13 O4 90.4 88.6 71.4 86.8 104.3
REMARK 620 7 DT A 13 N3 99.1 73.2 110.3 109.3 93.4 38.9
REMARK 620 8 DG A 14 O6 90.9 51.5 150.5 138.8 92.0 84.3 46.6
REMARK 620 9 DG A 14 N1 127.5 88.9 158.0 102.9 52.6 98.6 63.1 39.8
REMARK 620 N 1 2 3 4 5 6 7 8
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 K A 105 K
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 DG A 2 O6
REMARK 620 2 DG A 2 N1 42.1
REMARK 620 3 DT A 4 N3 61.4 61.9
REMARK 620 4 DT A 4 O4 69.3 40.5 38.1
REMARK 620 5 DG A 5 O6 79.2 119.9 81.7 119.6
REMARK 620 6 DG A 11 N1 126.3 162.9 128.3 156.3 55.9
REMARK 620 7 DG A 11 O6 134.0 126.5 164.6 137.5 101.4 47.9
REMARK 620 8 DT A 13 O4 113.5 103.9 52.5 63.9 85.5 92.5 112.4
REMARK 620 9 DT A 13 N3 116.2 80.6 68.8 47.0 130.2 115.1 98.5 44.7
REMARK 620 N 1 2 3 4 5 6 7 8
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 K A 106 K
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 DG A 2 O6
REMARK 620 2 DG A 2 N1 42.8
REMARK 620 3 DT A 4 N3 61.7 62.4
REMARK 620 4 DT A 4 O4 70.8 41.3 38.8
REMARK 620 5 DG A 5 O6 75.3 116.9 80.9 119.4
REMARK 620 6 DG A 11 N1 120.5 158.5 127.3 158.9 54.4
REMARK 620 7 DG A 11 O6 128.5 126.9 169.2 142.7 97.6 46.6
REMARK 620 8 DT A 13 O4 113.8 106.8 53.1 66.4 84.4 92.5 116.2
REMARK 620 9 DT A 13 N3 119.4 83.0 70.9 48.6 132.3 117.7 103.2 47.8
REMARK 620 N 1 2 3 4 5 6 7 8
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 K A 109 K
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 DG A 2 O6
REMARK 620 2 DG A 2 N1 42.8
REMARK 620 3 DT A 4 N3 60.8 61.9
REMARK 620 4 DT A 4 O4 70.3 41.1 38.5
REMARK 620 5 DG A 5 O6 74.3 115.8 79.7 117.9
REMARK 620 6 DG A 11 N1 120.0 158.7 126.2 158.0 54.3
REMARK 620 7 DG A 11 O6 129.4 128.4 168.6 144.1 97.6 46.6
REMARK 620 8 DT A 13 O4 111.8 106.0 52.1 66.0 83.1 92.1 116.7
REMARK 620 9 DT A 13 N3 118.7 83.0 70.4 48.5 131.0 117.9 104.3 48.0
REMARK 620 N 1 2 3 4 5 6 7 8
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 K A 110 K
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 DG A 2 O6
REMARK 620 2 DG A 2 N1 42.6
REMARK 620 3 DT A 4 N3 62.4 62.7
REMARK 620 4 DT A 4 O4 71.2 41.4 39.2
REMARK 620 5 DG A 5 O6 75.3 116.8 81.9 120.5
REMARK 620 6 DG A 11 N1 119.9 157.1 128.5 160.5 54.4
REMARK 620 7 DG A 11 O6 126.1 125.1 171.0 142.3 97.0 46.6
REMARK 620 8 DT A 13 O4 115.5 107.8 54.0 67.3 85.8 93.3 117.1
REMARK 620 9 DT A 13 N3 120.1 83.3 71.7 49.0 134.3 118.4 103.4 48.4
REMARK 620 N 1 2 3 4 5 6 7 8
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 K A 206 K
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 DG A 2 O6
REMARK 620 2 DT A 4 N3 52.9
REMARK 620 3 DG A 5 O6 67.7 75.1
REMARK 620 4 DG A 11 N1 122.8 137.0 66.7
REMARK 620 5 DG A 11 O6 112.2 158.6 115.9 62.5
REMARK 620 6 DT A 13 O4 94.9 42.1 93.3 120.1 145.7
REMARK 620 7 DT A 13 N3 99.6 65.1 136.3 137.3 107.7 44.5
REMARK 620 8 DG A 14 O6 72.6 83.3 140.1 139.3 76.8 92.6 53.3
REMARK 620 9 DG A 14 N1 104.0 117.9 157.1 104.8 45.8 108.9 64.7 37.0
REMARK 620 N 1 2 3 4 5 6 7 8
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 K A 207 K
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 DG A 2 N1
REMARK 620 2 DG A 2 O6 38.7
REMARK 620 3 DT A 4 N3 59.4 58.9
REMARK 620 4 DG A 5 N1 85.9 48.6 65.2
REMARK 620 5 DG A 5 O6 119.6 82.7 81.4 34.1
REMARK 620 6 DG A 11 N1 166.5 134.4 131.1 91.7 60.4
REMARK 620 7 DG A 11 O6 122.0 136.8 159.7 133.5 110.5 52.1
REMARK 620 8 DT A 13 O4 97.2 109.0 50.2 98.3 88.3 96.4 112.2
REMARK 620 9 DT A 13 N3 76.0 108.7 65.7 130.3 129.3 115.1 94.4 41.0
REMARK 620 N 1 2 3 4 5 6 7 8
REMARK 620
REMARK 620 COORDINATION ANGLES FOR: M RES CSSEQI METAL
REMARK 620 K A 201 K
REMARK 620 N RES CSSEQI ATOM
REMARK 620 1 DG A 15 N1
REMARK 620 2 K A 203 K 55.7
REMARK 620 3 K A 204 K 28.9 67.4
REMARK 620 4 K A 205 K 46.6 22.7 48.2
REMARK 620 N 1 2 3
REMARK 800
REMARK 800 SITE
REMARK 800 SITE_IDENTIFIER: AC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE K A 101
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE K A 102
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC3
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE K A 103
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC4
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE K A 104
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC5
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE K A 105
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC6
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE K A 106
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC7
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE K A 107
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC8
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE K A 108
REMARK 800
REMARK 800 SITE_IDENTIFIER: AC9
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE K A 109
REMARK 800
REMARK 800 SITE_IDENTIFIER: BC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE K A 110
REMARK 800
REMARK 800 SITE_IDENTIFIER: BC2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE K A 201
REMARK 800
REMARK 800 SITE_IDENTIFIER: BC3
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE K A 202
REMARK 800
REMARK 800 SITE_IDENTIFIER: BC4
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE K A 203
REMARK 800
REMARK 800 SITE_IDENTIFIER: BC5
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE K A 204
REMARK 800
REMARK 800 SITE_IDENTIFIER: BC6
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE K A 205
REMARK 800
REMARK 800 SITE_IDENTIFIER: BC7
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE K A 206
REMARK 800
REMARK 800 SITE_IDENTIFIER: BC8
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE K A 207
REMARK 800
REMARK 800 SITE_IDENTIFIER: BC9
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE K A 208
REMARK 800
REMARK 800 SITE_IDENTIFIER: CC1
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE K A 209
REMARK 800
REMARK 800 SITE_IDENTIFIER: CC2
REMARK 800 EVIDENCE_CODE: SOFTWARE
REMARK 800 SITE_DESCRIPTION: BINDING SITE FOR RESIDUE K A 210
DBREF 1C38 A 1 15 PDB 1C38 1C38 1 15
SEQRES 1 A 15 DG DG DT DT DG DG DT DG DT DG DG DT DT
SEQRES 2 A 15 DG DG
HET K A 101 1
HET K A 102 1
HET K A 103 1
HET K A 104 1
HET K A 105 1
HET K A 106 1
HET K A 107 1
HET K A 108 1
HET K A 109 1
HET K A 110 1
HET K A 201 1
HET K A 202 1
HET K A 203 1
HET K A 204 1
HET K A 205 1
HET K A 206 1
HET K A 207 1
HET K A 208 1
HET K A 209 1
HET K A 210 1
HETNAM K POTASSIUM ION
FORMUL 2 K 20(K 1+)
LINK N7 DG A 1 K K A 107 1555 1555 3.38
LINK N7 DG A 1 K K A 108 1555 1555 3.18
LINK O6 DG A 1 K K A 108 1555 1555 3.53
LINK O6 DG A 1 K K A 202 1555 1555 2.23
LINK N1 DG A 1 K K A 202 1555 1555 3.02
LINK N3 DG A 1 K K A 202 1555 1555 3.51
LINK N9 DG A 1 K K A 202 1555 1555 2.76
LINK O6 DG A 1 K K A 203 1555 1555 3.55
LINK N7 DG A 1 K K A 203 1555 1555 3.13
LINK O6 DG A 1 K K A 204 1555 1555 3.03
LINK O6 DG A 1 K K A 205 1555 1555 2.51
LINK N7 DG A 1 K K A 205 1555 1555 2.59
LINK O6 DG A 1 K K A 208 1555 1555 3.03
LINK N9 DG A 1 K K A 208 1555 1555 2.77
LINK O6 DG A 1 K K A 210 1555 1555 2.94
LINK N1 DG A 1 K K A 210 1555 1555 3.68
LINK N9 DG A 1 K K A 210 1555 1555 2.75
LINK O6 DG A 2 K K A 101 1555 1555 2.02
LINK N1 DG A 2 K K A 101 1555 1555 3.28
LINK O6 DG A 2 K K A 102 1555 1555 1.99
LINK N1 DG A 2 K K A 102 1555 1555 3.29
LINK O6 DG A 2 K K A 103 1555 1555 2.26
LINK N1 DG A 2 K K A 103 1555 1555 3.68
LINK O6 DG A 2 K K A 104 1555 1555 2.16
LINK N1 DG A 2 K K A 104 1555 1555 3.43
LINK O6 DG A 2 K K A 105 1555 1555 2.01
LINK N1 DG A 2 K K A 105 1555 1555 3.27
LINK O6 DG A 2 K K A 106 1555 1555 2.09
LINK N1 DG A 2 K K A 106 1555 1555 3.26
LINK O6 DG A 2 K K A 109 1555 1555 2.11
LINK N1 DG A 2 K K A 109 1555 1555 3.26
LINK O6 DG A 2 K K A 110 1555 1555 2.10
LINK N1 DG A 2 K K A 110 1555 1555 3.27
LINK O6 DG A 2 K K A 206 1555 1555 2.68
LINK N1 DG A 2 K K A 207 1555 1555 3.43
LINK O6 DG A 2 K K A 207 1555 1555 2.05
LINK N3 DT A 4 K K A 101 1555 1555 3.38
LINK O4 DT A 4 K K A 101 1555 1555 3.65
LINK N3 DT A 4 K K A 102 1555 1555 3.45
LINK N3 DT A 4 K K A 105 1555 1555 3.38
LINK O4 DT A 4 K K A 105 1555 1555 3.65
LINK N3 DT A 4 K K A 106 1555 1555 3.35
LINK O4 DT A 4 K K A 106 1555 1555 3.56
LINK N3 DT A 4 K K A 109 1555 1555 3.39
LINK O4 DT A 4 K K A 109 1555 1555 3.58
LINK N3 DT A 4 K K A 110 1555 1555 3.31
LINK O4 DT A 4 K K A 110 1555 1555 3.54
LINK N3 DT A 4 K K A 206 1555 1555 3.71
LINK N3 DT A 4 K K A 207 1555 1555 3.48
LINK O6 DG A 5 K K A 101 1555 1555 2.29
LINK N1 DG A 5 K K A 102 1555 1555 3.71
LINK O6 DG A 5 K K A 102 1555 1555 2.26
LINK O6 DG A 5 K K A 103 1555 1555 2.10
LINK O6 DG A 5 K K A 104 1555 1555 2.44
LINK O6 DG A 5 K K A 105 1555 1555 2.29
LINK O6 DG A 5 K K A 106 1555 1555 2.40
LINK O6 DG A 5 K K A 109 1555 1555 2.43
LINK O6 DG A 5 K K A 110 1555 1555 2.39
LINK O6 DG A 5 K K A 206 1555 1555 2.21
LINK N1 DG A 5 K K A 207 1555 1555 3.64
LINK O6 DG A 5 K K A 207 1555 1555 2.12
LINK O4 DT A 9 K K A 108 1555 1555 3.19
LINK O4 DT A 9 K K A 203 1555 1555 3.60
LINK O4 DT A 9 K K A 204 1555 1555 3.09
LINK O4 DT A 9 K K A 205 1555 1555 2.91
LINK N1 DG A 11 K K A 101 1555 1555 3.10
LINK O6 DG A 11 K K A 101 1555 1555 1.93
LINK N1 DG A 11 K K A 102 1555 1555 3.06
LINK O6 DG A 11 K K A 102 1555 1555 1.89
LINK N1 DG A 11 K K A 103 1555 1555 2.66
LINK O6 DG A 11 K K A 103 1555 1555 1.60
LINK N1 DG A 11 K K A 104 1555 1555 2.92
LINK O6 DG A 11 K K A 104 1555 1555 1.51
LINK N1 DG A 11 K K A 105 1555 1555 3.11
LINK O6 DG A 11 K K A 105 1555 1555 1.94
LINK N1 DG A 11 K K A 106 1555 1555 3.16
LINK O6 DG A 11 K K A 106 1555 1555 1.94
LINK N1 DG A 11 K K A 109 1555 1555 3.16
LINK O6 DG A 11 K K A 109 1555 1555 1.91
LINK N1 DG A 11 K K A 110 1555 1555 3.17
LINK O6 DG A 11 K K A 110 1555 1555 1.97
LINK N1 DG A 11 K K A 206 1555 1555 2.55
LINK O6 DG A 11 K K A 206 1555 1555 1.64
LINK N1 DG A 11 K K A 207 1555 1555 2.92
LINK O6 DG A 11 K K A 207 1555 1555 1.86
LINK O4 DT A 13 K K A 101 1555 1555 1.96
LINK N3 DT A 13 K K A 101 1555 1555 3.22
LINK O4 DT A 13 K K A 102 1555 1555 2.06
LINK N3 DT A 13 K K A 102 1555 1555 3.31
LINK O4 DT A 13 K K A 103 1555 1555 2.19
LINK N3 DT A 13 K K A 103 1555 1555 3.54
LINK O4 DT A 13 K K A 104 1555 1555 2.52
LINK N3 DT A 13 K K A 104 1555 1555 3.61
LINK O4 DT A 13 K K A 105 1555 1555 1.96
LINK N3 DT A 13 K K A 105 1555 1555 3.21
LINK O4 DT A 13 K K A 106 1555 1555 1.87
LINK N3 DT A 13 K K A 106 1555 1555 3.07
LINK O4 DT A 13 K K A 109 1555 1555 1.90
LINK N3 DT A 13 K K A 109 1555 1555 3.07
LINK O4 DT A 13 K K A 110 1555 1555 1.82
LINK N3 DT A 13 K K A 110 1555 1555 3.04
LINK O4 DT A 13 K K A 206 1555 1555 1.75
LINK N3 DT A 13 K K A 206 1555 1555 3.17
LINK O4 DT A 13 K K A 207 1555 1555 2.04
LINK N3 DT A 13 K K A 207 1555 1555 3.39
LINK O6 DG A 14 K K A 101 1555 1555 2.23
LINK N1 DG A 14 K K A 101 1555 1555 3.68
LINK O6 DG A 14 K K A 102 1555 1555 2.25
LINK N1 DG A 14 K K A 102 1555 1555 3.69
LINK O6 DG A 14 K K A 103 1555 1555 2.51
LINK N1 DG A 14 K K A 103 1555 1555 3.70
LINK O6 DG A 14 K K A 104 1555 1555 2.21
LINK N1 DG A 14 K K A 104 1555 1555 3.43
LINK O6 DG A 14 K K A 105 1555 1555 2.22
LINK N1 DG A 14 K K A 105 1555 1555 3.68
LINK O6 DG A 14 K K A 106 1555 1555 2.13
LINK N1 DG A 14 K K A 106 1555 1555 3.60
LINK O6 DG A 14 K K A 109 1555 1555 2.10
LINK N1 DG A 14 K K A 109 1555 1555 3.56
LINK O6 DG A 14 K K A 110 1555 1555 2.15
LINK N1 DG A 14 K K A 110 1555 1555 3.63
LINK O6 DG A 14 K K A 206 1555 1555 2.58
LINK N1 DG A 14 K K A 206 1555 1555 3.67
LINK O6 DG A 14 K K A 207 1555 1555 2.40
LINK N2 DG A 15 K K A 107 1555 1555 3.52
LINK N1 DG A 15 K K A 107 1555 1555 3.19
LINK N2 DG A 15 K K A 108 1555 1555 3.62
LINK N1 DG A 15 K K A 108 1555 1555 3.14
LINK N1 DG A 15 K K A 201 1555 1555 3.43
LINK N2 DG A 15 K K A 202 1555 1555 2.87
LINK N1 DG A 15 K K A 202 1555 1555 3.32
LINK N2 DG A 15 K K A 203 1555 1555 3.23
LINK N3 DG A 15 K K A 203 1555 1555 3.64
LINK N1 DG A 15 K K A 203 1555 1555 2.87
LINK N2 DG A 15 K K A 204 1555 1555 3.64
LINK N3 DG A 15 K K A 204 1555 1555 3.49
LINK N7 DG A 15 K K A 204 1555 1555 3.54
LINK O6 DG A 15 K K A 204 1555 1555 2.14
LINK N1 DG A 15 K K A 204 1555 1555 2.02
LINK N2 DG A 15 K K A 205 1555 1555 3.06
LINK O6 DG A 15 K K A 205 1555 1555 3.47
LINK N1 DG A 15 K K A 205 1555 1555 2.50
LINK N2 DG A 15 K K A 208 1555 1555 2.54
LINK N1 DG A 15 K K A 208 1555 1555 3.53
LINK N2 DG A 15 K K A 210 1555 1555 3.31
LINK K K A 107 K K A 202 1555 1555 3.12
LINK K K A 107 K K A 204 1555 1555 2.09
LINK K K A 107 K K A 205 1555 1555 1.45
LINK K K A 107 K K A 208 1555 1555 2.97
LINK K K A 107 K K A 209 1555 1555 1.54
LINK K K A 107 K K A 210 1555 1555 2.61
LINK K K A 108 K K A 201 1555 1555 1.56
LINK K K A 108 K K A 202 1555 1555 2.81
LINK K K A 108 K K A 204 1555 1555 1.93
LINK K K A 108 K K A 208 1555 1555 2.81
LINK K K A 108 K K A 209 1555 1555 1.74
LINK K K A 108 K K A 210 1555 1555 2.30
LINK K K A 201 K K A 203 1555 1555 1.52
LINK K K A 201 K K A 204 1555 1555 1.86
LINK K K A 201 K K A 205 1555 1555 2.34
LINK K K A 202 K K A 203 1555 1555 2.81
LINK K K A 202 K K A 204 1555 1555 3.58
LINK K K A 202 K K A 205 1555 1555 2.00
LINK K K A 203 K K A 204 1555 1555 1.89
LINK K K A 203 K K A 208 1555 1555 2.71
LINK K K A 203 K K A 209 1555 1555 1.85
LINK K K A 203 K K A 210 1555 1555 2.38
LINK K K A 204 K K A 205 1555 1555 1.77
LINK K K A 204 K K A 209 1555 1555 2.49
LINK K K A 204 K K A 210 1555 1555 3.56
LINK K K A 205 K K A 208 1555 1555 2.25
LINK K K A 205 K K A 209 1555 1555 2.69
LINK K K A 205 K K A 210 1555 1555 1.80
SITE 1 AC1 6 DG A 2 DT A 4 DG A 5 DG A 11
SITE 2 AC1 6 DT A 13 DG A 14
SITE 1 AC2 6 DG A 2 DT A 4 DG A 5 DG A 11
SITE 2 AC2 6 DT A 13 DG A 14
SITE 1 AC3 5 DG A 2 DG A 5 DG A 11 DT A 13
SITE 2 AC3 5 DG A 14
SITE 1 AC4 6 DG A 2 DG A 5 DG A 11 DT A 13
SITE 2 AC4 6 DG A 14 K A 206
SITE 1 AC5 6 DG A 2 DT A 4 DG A 5 DG A 11
SITE 2 AC5 6 DT A 13 DG A 14
SITE 1 AC6 6 DG A 2 DT A 4 DG A 5 DG A 11
SITE 2 AC6 6 DT A 13 DG A 14
SITE 1 AC7 10 DG A 1 DT A 9 DG A 15 K A 201
SITE 2 AC7 10 K A 202 K A 204 K A 205 K A 208
SITE 3 AC7 10 K A 209 K A 210
SITE 1 AC8 10 DG A 1 DT A 9 DG A 15 K A 201
SITE 2 AC8 10 K A 202 K A 204 K A 205 K A 208
SITE 3 AC8 10 K A 209 K A 210
SITE 1 AC9 6 DG A 2 DT A 4 DG A 5 DG A 11
SITE 2 AC9 6 DT A 13 DG A 14
SITE 1 BC1 6 DG A 2 DT A 4 DG A 5 DG A 11
SITE 2 BC1 6 DT A 13 DG A 14
SITE 1 BC2 7 DT A 9 DG A 15 K A 107 K A 108
SITE 2 BC2 7 K A 203 K A 204 K A 205
SITE 1 BC3 9 DG A 1 DG A 15 K A 107 K A 108
SITE 2 BC3 9 K A 203 K A 204 K A 205 K A 208
SITE 3 BC3 9 K A 210
SITE 1 BC4 10 DG A 1 DT A 9 DG A 15 K A 201
SITE 2 BC4 10 K A 202 K A 204 K A 205 K A 208
SITE 3 BC4 10 K A 209 K A 210
SITE 1 BC5 11 DG A 1 DT A 9 DG A 15 K A 107
SITE 2 BC5 11 K A 108 K A 201 K A 202 K A 203
SITE 3 BC5 11 K A 205 K A 209 K A 210
SITE 1 BC6 12 DG A 1 DT A 9 DG A 15 K A 107
SITE 2 BC6 12 K A 108 K A 201 K A 202 K A 203
SITE 3 BC6 12 K A 204 K A 208 K A 209 K A 210
SITE 1 BC7 6 DG A 2 DG A 5 DG A 11 DT A 13
SITE 2 BC7 6 DG A 14 K A 104
SITE 1 BC8 6 DG A 2 DT A 4 DG A 5 DG A 11
SITE 2 BC8 6 DT A 13 DG A 14
SITE 1 BC9 8 DG A 1 DG A 15 K A 107 K A 108
SITE 2 BC9 8 K A 202 K A 203 K A 205 K A 210
SITE 1 CC1 6 DT A 9 K A 107 K A 108 K A 203
SITE 2 CC1 6 K A 204 K A 205
SITE 1 CC2 9 DG A 1 DG A 15 K A 107 K A 108
SITE 2 CC2 9 K A 202 K A 203 K A 204 K A 205
SITE 3 CC2 9 K A 208
CRYST1 1.000 1.000 1.000 90.00 90.00 90.00 P 1 1
ORIGX1 1.000000 0.000000 0.000000 0.00000
ORIGX2 0.000000 1.000000 0.000000 0.00000
ORIGX3 0.000000 0.000000 1.000000 0.00000
SCALE1 1.000000 0.000000 0.000000 0.00000
SCALE2 0.000000 1.000000 0.000000 0.00000
SCALE3 0.000000 0.000000 1.000000 0.00000
Complete list - 16 20 Bytes