==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 12-JUN-09 3HTN . COMPND 2 MOLECULE: PUTATIVE DNA BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON VPI-5482; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 425 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 17169.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 334 78.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 226 53.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 49 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 6 0 0 1 9 5 0 3 0 0 3 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 43 A N 0 0 169 0, 0.0 3,-0.1 0, 0.0 24,-0.0 0.000 360.0 360.0 360.0 125.7 32.3 23.7 0.9 2 44 A X + 0 0 49 1,-0.3 15,-2.8 23,-0.1 2,-0.3 0.517 360.0 5.9-119.2 -9.9 29.1 25.3 2.3 3 45 A Y E -A 16 0A 24 13,-0.3 2,-0.3 22,-0.1 -1,-0.3 -0.987 49.8-137.6-165.1 163.6 27.4 22.5 4.3 4 46 A S E -A 15 0A 45 11,-2.3 11,-3.4 -2,-0.3 2,-0.3 -0.939 31.6-176.1-125.4 153.5 27.5 19.0 5.8 5 47 A Y E -A 14 0A 76 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.939 24.6-145.5-148.0 164.4 24.5 16.7 5.7 6 48 A K E -A 13 0A 51 7,-1.9 7,-2.6 -2,-0.3 2,-0.5 -0.986 20.5-139.2-134.5 125.7 22.9 13.4 6.7 7 49 A K E +A 12 0A 120 -2,-0.4 2,-0.4 5,-0.2 5,-0.2 -0.723 22.1 176.0 -85.4 129.2 20.5 11.5 4.5 8 50 A I E > -A 11 0A 20 3,-3.0 3,-2.0 -2,-0.5 2,-0.2 -0.867 59.2 -67.1-134.8 96.2 17.5 10.0 6.3 9 51 A G T 3 S- 0 0 54 -2,-0.4 -1,-0.1 1,-0.3 254,-0.0 -0.414 119.0 -8.1 61.7-123.8 15.1 8.3 4.0 10 52 A N T 3 S+ 0 0 76 -2,-0.2 111,-3.0 -3,-0.1 2,-0.3 0.327 128.9 70.6 -86.4 5.1 13.3 11.0 1.9 11 53 A K E < -AB 8 120A 15 -3,-2.0 -3,-3.0 109,-0.2 2,-0.4 -0.798 62.1-151.7-121.8 162.2 14.9 13.8 4.0 12 54 A Y E -AB 7 119A 18 107,-2.4 107,-2.9 -2,-0.3 2,-0.7 -0.999 12.1-143.8-130.4 135.2 18.3 15.4 4.5 13 55 A I E -AB 6 118A 0 -7,-2.6 -7,-1.9 -2,-0.4 2,-0.5 -0.912 26.5-162.6 -94.8 118.4 19.4 17.1 7.7 14 56 A V E -AB 5 117A 1 103,-3.3 103,-2.9 -2,-0.7 2,-0.6 -0.923 14.5-167.8-113.0 124.2 21.6 20.0 6.5 15 57 A S E -AB 4 116A 8 -11,-3.4 -11,-2.3 -2,-0.5 101,-0.2 -0.945 18.9-147.4-108.4 106.9 24.1 21.8 8.7 16 58 A I E -A 3 0A 3 99,-2.0 99,-0.3 -2,-0.6 -13,-0.3 -0.480 22.6-106.3 -78.4 144.0 25.2 24.9 6.9 17 59 A N > - 0 0 48 -15,-2.8 3,-0.9 -2,-0.1 94,-0.2 -0.378 41.9 -97.7 -65.4 149.2 28.8 26.1 7.5 18 60 A N T 3 S+ 0 0 36 1,-0.2 94,-0.2 -2,-0.1 -1,-0.1 -0.245 106.3 23.2 -64.9 155.2 29.2 29.2 9.7 19 61 A H T 3 S+ 0 0 128 92,-0.9 2,-0.3 1,-0.2 -1,-0.2 0.727 96.8 127.9 61.5 25.6 29.7 32.5 8.0 20 62 A T < - 0 0 22 -3,-0.9 91,-2.6 -18,-0.1 2,-0.6 -0.862 69.8-110.4-115.1 144.6 28.0 31.2 4.9 21 63 A E B > -C 110 0A 48 -2,-0.3 4,-2.0 89,-0.2 89,-0.2 -0.664 29.7-151.3 -76.7 118.9 25.0 32.8 3.0 22 64 A I H > S+ 0 0 1 87,-3.0 4,-2.7 -2,-0.6 5,-0.2 0.811 87.8 51.4 -67.0 -37.5 22.2 30.3 3.7 23 65 A V H > S+ 0 0 19 86,-0.3 4,-2.6 2,-0.2 -1,-0.2 0.952 111.7 47.6 -69.5 -45.2 20.1 30.8 0.6 24 66 A K H > S+ 0 0 136 1,-0.2 4,-2.5 2,-0.2 -2,-0.2 0.906 113.9 49.3 -56.6 -46.1 23.1 30.2 -1.7 25 67 A A H X S+ 0 0 1 -4,-2.0 4,-2.5 2,-0.2 -2,-0.2 0.918 110.8 47.9 -63.7 -45.6 24.0 27.1 0.3 26 68 A L H X S+ 0 0 0 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.901 111.7 50.8 -63.8 -39.9 20.5 25.7 0.2 27 69 A N H X S+ 0 0 48 -4,-2.6 4,-2.5 1,-0.2 -2,-0.2 0.964 111.2 48.5 -57.7 -49.7 20.4 26.2 -3.5 28 70 A A H X S+ 0 0 28 -4,-2.5 4,-2.9 1,-0.2 -2,-0.2 0.865 110.3 52.0 -60.4 -39.7 23.7 24.5 -4.0 29 71 A F H X S+ 0 0 0 -4,-2.5 4,-2.3 2,-0.2 -1,-0.2 0.938 110.9 45.8 -60.7 -51.0 22.6 21.6 -1.8 30 72 A C H X>S+ 0 0 0 -4,-2.4 5,-2.5 2,-0.2 4,-0.6 0.875 114.0 49.8 -61.8 -39.6 19.4 21.0 -3.8 31 73 A K H ><5S+ 0 0 167 -4,-2.5 3,-1.1 -5,-0.2 -2,-0.2 0.949 110.3 50.0 -63.2 -49.0 21.3 21.3 -7.0 32 74 A E H 3<5S+ 0 0 107 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.885 116.5 41.7 -55.7 -42.0 24.0 18.8 -5.8 33 75 A K H 3<5S- 0 0 60 -4,-2.3 -1,-0.3 -5,-0.2 -2,-0.2 0.446 107.9-124.0 -90.6 2.2 21.2 16.3 -4.8 34 76 A G T <<5 + 0 0 49 -3,-1.1 2,-0.5 -4,-0.6 -3,-0.2 0.838 42.0 178.7 61.3 36.3 19.1 16.9 -7.9 35 77 A I < - 0 0 4 -5,-2.5 -1,-0.2 1,-0.2 3,-0.1 -0.596 14.2-176.7 -79.4 120.1 16.1 17.8 -5.8 36 78 A L - 0 0 86 -2,-0.5 90,-0.6 1,-0.3 2,-0.3 0.801 68.1 -9.0 -85.8 -36.2 13.2 18.7 -8.2 37 79 A S S S+ 0 0 0 88,-0.1 85,-2.4 43,-0.1 86,-0.6 -0.962 79.7 110.9-157.5 161.9 10.7 19.6 -5.5 38 80 A G E -DE 79 121A 0 41,-1.5 41,-2.4 -2,-0.3 2,-0.3 -0.987 51.5 -77.8 161.9-164.5 10.4 19.5 -1.8 39 81 A S E -DE 78 120A 14 81,-1.4 81,-2.3 -2,-0.3 2,-0.4 -0.911 22.1-156.5-134.6 157.1 10.4 21.5 1.4 40 82 A I E +DE 77 119A 0 37,-2.2 37,-1.8 -2,-0.3 2,-0.3 -0.998 19.0 163.3-136.1 135.0 12.9 23.3 3.6 41 83 A N E +DE 76 118A 46 77,-1.7 77,-3.2 -2,-0.4 2,-0.3 -0.987 16.6 111.7-149.0 138.9 12.4 24.1 7.3 42 84 A G E -DE 75 117A 5 33,-2.0 33,-1.8 -2,-0.3 2,-0.3 -0.996 40.3-113.2 177.8-167.0 14.8 25.0 10.0 43 85 A I E + E 0 116A 2 73,-2.1 73,-3.0 -2,-0.3 2,-0.3 -0.883 35.7 123.2-144.3 167.1 16.4 27.2 12.6 44 86 A G E -DE 72 115A 2 28,-1.1 28,-3.2 -2,-0.3 2,-0.3 -0.977 49.9 -81.7 162.5-167.8 19.8 28.9 13.3 45 87 A A E -D 71 0A 7 69,-2.2 67,-2.2 -2,-0.3 2,-0.3 -0.968 36.3-171.8-135.2 147.4 21.4 32.2 14.0 46 88 A I E -DE 70 111A 0 24,-2.9 24,-2.8 -2,-0.3 65,-0.2 -0.913 27.4-155.3-139.8 157.6 22.6 34.9 11.6 47 89 A G E S+ 0 0 23 63,-2.8 21,-0.4 1,-0.3 2,-0.3 0.396 86.4 29.1-113.0 -2.6 24.5 38.2 11.4 48 90 A E E - E 0 110A 67 62,-0.8 62,-1.8 19,-0.2 2,-0.3 -0.963 63.1-176.1-158.4 141.5 22.9 39.7 8.3 49 91 A L E -FE 66 109A 0 17,-2.1 17,-2.9 -2,-0.3 2,-0.5 -0.996 9.5-163.6-142.7 136.8 19.5 39.3 6.7 50 92 A T E -FE 65 108A 14 58,-2.9 57,-2.9 -2,-0.3 58,-1.5 -0.989 13.9-179.3-123.4 124.3 17.9 40.6 3.5 51 93 A L E -FE 64 106A 0 13,-2.4 13,-2.5 -2,-0.5 2,-0.4 -0.838 15.7-142.6-113.7 152.3 14.1 40.5 3.2 52 94 A R E -FE 63 105A 74 53,-2.2 53,-0.9 -2,-0.3 2,-0.5 -0.973 7.6-165.8-116.0 134.6 12.0 41.6 0.2 53 95 A F E -F 62 0A 16 9,-2.9 9,-2.2 -2,-0.4 2,-0.4 -0.975 12.0-159.2-117.3 118.7 8.6 43.4 0.4 54 96 A F E -F 61 0A 33 -2,-0.5 7,-0.2 7,-0.2 3,-0.1 -0.842 8.0-148.6 -99.8 129.7 6.7 43.4 -2.9 55 97 A N > - 0 0 61 5,-3.0 4,-2.1 -2,-0.4 5,-0.4 -0.875 7.5-166.6 -97.7 107.5 3.9 46.0 -3.5 56 98 A P T 4 S+ 0 0 30 0, 0.0 -1,-0.1 0, 0.0 5,-0.0 0.729 83.1 56.5 -66.4 -24.1 1.3 44.3 -5.8 57 99 A K T 4 S+ 0 0 102 1,-0.1 -2,-0.0 -3,-0.1 -3,-0.0 0.948 124.7 17.3 -74.4 -48.2 -0.4 47.6 -6.5 58 100 A T T 4 S- 0 0 90 2,-0.1 -1,-0.1 0, 0.0 3,-0.1 0.554 94.6-126.7-101.1 -8.9 2.6 49.5 -7.9 59 101 A K < + 0 0 104 -4,-2.1 2,-0.2 1,-0.3 -2,-0.0 0.661 63.5 139.9 63.1 16.9 4.9 46.7 -8.6 60 102 A A - 0 0 53 -5,-0.4 -5,-3.0 2,-0.0 2,-0.3 -0.543 31.5-170.1 -73.8 154.2 7.6 48.4 -6.5 61 103 A Y E -F 54 0A 139 -7,-0.2 2,-0.4 -2,-0.2 -7,-0.2 -0.989 8.6-155.4-143.2 151.0 9.7 46.2 -4.3 62 104 A D E -F 53 0A 69 -9,-2.2 -9,-2.9 -2,-0.3 2,-0.6 -0.994 5.3-154.0-132.6 144.5 12.1 46.9 -1.5 63 105 A D E -F 52 0A 70 -2,-0.4 2,-0.5 -11,-0.2 -11,-0.2 -0.957 14.1-164.9-114.3 114.9 14.9 44.9 -0.2 64 106 A K E -F 51 0A 98 -13,-2.5 -13,-2.4 -2,-0.6 2,-0.5 -0.910 1.9-160.3-108.8 127.3 15.9 45.6 3.4 65 107 A T E -F 50 0A 62 -2,-0.5 2,-0.4 -15,-0.2 -15,-0.2 -0.910 2.4-160.8-108.6 122.5 19.2 44.4 4.9 66 108 A F E -F 49 0A 11 -17,-2.9 -17,-2.1 -2,-0.5 2,-0.5 -0.866 1.6-162.4-100.8 135.6 19.6 44.1 8.6 67 109 A R + 0 0 206 -2,-0.4 2,-0.3 -19,-0.2 -19,-0.2 -0.814 52.7 84.9-124.5 85.2 23.1 44.0 10.0 68 110 A E S S- 0 0 55 -2,-0.5 2,-0.3 -21,-0.4 -2,-0.1 -0.951 85.5 -72.0-168.7 168.5 22.9 42.7 13.5 69 111 A Q + 0 0 31 -2,-0.3 28,-0.4 -24,-0.1 2,-0.3 -0.576 56.5 170.7 -79.5 132.1 22.7 39.4 15.4 70 112 A X E -D 46 0A 0 -24,-2.8 -24,-2.9 -2,-0.3 2,-0.4 -0.996 30.6-132.5-140.9 150.7 19.4 37.6 15.0 71 113 A E E -DG 45 95A 13 24,-2.2 24,-2.7 -2,-0.3 2,-0.9 -0.860 20.9-133.7 -97.9 131.8 17.9 34.2 15.8 72 114 A I E -DG 44 94A 0 -28,-3.2 -28,-1.1 -2,-0.4 22,-0.3 -0.787 24.1-179.3 -80.9 106.7 16.0 32.4 13.0 73 115 A S E S- 0 0 0 20,-1.5 2,-0.3 -2,-0.9 144,-0.3 0.844 72.3 -3.5 -78.6 -26.0 12.9 31.3 14.9 74 116 A N E - 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