==== 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 CA-BINDING PROTEIN 30-MAY-08 3DB7 . COMPND 2 MOLECULE: PUTATIVE CALCIUM-REGULATED PERIPLASMIC PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 127 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7456.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 83 65.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 37.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.6 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 . 3 2.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 0 0 2 3 2 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 1 0 0 0 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 0 A G > 0 0 31 0, 0.0 3,-2.2 0, 0.0 36,-0.4 0.000 360.0 360.0 360.0-175.4 18.1 48.9 -5.6 2 20 A A G > + 0 0 83 1,-0.3 3,-1.5 2,-0.2 36,-0.0 0.866 360.0 59.8 -57.8 -34.1 18.8 45.4 -4.4 3 21 A D G 3 S+ 0 0 162 1,-0.3 -1,-0.3 3,-0.0 0, 0.0 0.687 98.4 59.0 -69.4 -13.3 22.5 45.9 -5.3 4 22 A D G < S+ 0 0 84 -3,-2.2 -1,-0.3 33,-0.3 -2,-0.2 0.461 73.3 129.4 -95.4 -0.8 22.7 48.8 -2.9 5 23 A D < - 0 0 60 -3,-1.5 31,-0.2 -4,-0.4 -3,-0.0 -0.263 40.1-164.4 -58.9 138.0 21.7 46.8 0.2 6 24 A K E -A 35 0A 49 29,-2.5 29,-2.5 2,-0.0 -1,-0.1 -0.919 12.6-138.8-131.5 108.8 24.2 47.4 3.0 7 25 A P E +A 34 0A 95 0, 0.0 2,-0.3 0, 0.0 27,-0.3 -0.352 32.9 172.7 -64.9 141.5 24.3 45.0 6.0 8 26 A I E -A 33 0A 27 25,-2.3 25,-0.6 0, 0.0 2,-0.2 -0.931 35.3 -99.4-141.3 166.8 24.8 46.9 9.3 9 27 A Q > - 0 0 133 -2,-0.3 3,-2.0 1,-0.1 4,-0.3 -0.599 37.1-115.4 -83.3 153.0 24.8 46.4 13.0 10 28 A V G > S+ 0 0 37 1,-0.3 3,-2.0 -2,-0.2 -1,-0.1 0.872 116.0 65.2 -55.1 -34.2 21.7 47.4 14.9 11 29 A T G 3 S+ 0 0 111 1,-0.3 -1,-0.3 7,-0.1 4,-0.1 0.622 93.4 61.5 -68.1 -10.0 23.8 50.0 16.6 12 30 A Q G < S+ 0 0 118 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.480 87.6 94.6 -90.6 -5.3 24.2 51.7 13.2 13 31 A X S < S- 0 0 6 -3,-2.0 5,-0.1 -4,-0.3 45,-0.1 -0.491 94.9 -81.3 -77.8 155.3 20.4 52.3 13.0 14 32 A P >> - 0 0 26 0, 0.0 4,-2.1 0, 0.0 3,-0.7 -0.228 40.8-118.7 -52.3 149.4 18.7 55.5 14.1 15 33 A Q H 3> S+ 0 0 104 1,-0.3 4,-2.5 2,-0.2 5,-0.2 0.827 113.6 59.8 -63.6 -32.2 18.2 55.6 17.8 16 34 A L H 3> S+ 0 0 89 43,-0.3 4,-1.8 2,-0.2 -1,-0.3 0.882 108.2 46.2 -61.5 -36.4 14.4 55.8 17.4 17 35 A A H <> S+ 0 0 0 -3,-0.7 4,-2.2 2,-0.2 -2,-0.2 0.913 110.0 51.7 -73.4 -42.4 14.6 52.5 15.5 18 36 A Q H X S+ 0 0 29 -4,-2.1 4,-2.0 1,-0.2 -2,-0.2 0.915 111.6 49.1 -58.0 -41.6 16.8 50.9 18.1 19 37 A Q H X S+ 0 0 95 -4,-2.5 4,-2.7 -5,-0.2 -1,-0.2 0.921 108.0 53.3 -67.7 -38.2 14.3 52.0 20.8 20 38 A F H X S+ 0 0 25 -4,-1.8 4,-2.6 2,-0.2 5,-0.4 0.907 108.6 49.5 -63.0 -43.7 11.4 50.6 18.8 21 39 A I H X S+ 0 0 15 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.931 113.8 45.5 -60.6 -46.1 13.0 47.2 18.5 22 40 A K H < S+ 0 0 153 -4,-2.0 4,-0.4 -5,-0.2 -2,-0.2 0.905 114.8 49.4 -65.7 -38.9 13.8 47.0 22.2 23 41 A Q H < S+ 0 0 136 -4,-2.7 -2,-0.2 -5,-0.2 -1,-0.2 0.925 129.0 15.4 -65.5 -48.0 10.3 48.3 23.1 24 42 A H H < S+ 0 0 45 -4,-2.6 -3,-0.2 -5,-0.2 -2,-0.2 0.621 129.8 41.9-111.7 -12.7 8.2 45.9 21.0 25 43 A F >< + 0 0 12 -4,-2.4 3,-1.9 -5,-0.4 -1,-0.1 -0.106 64.5 130.7-128.8 35.0 10.5 43.0 19.9 26 44 A S T 3 S+ 0 0 103 -4,-0.4 -1,-0.1 1,-0.3 -4,-0.1 0.792 77.2 50.0 -61.7 -25.1 12.4 42.4 23.1 27 45 A D T 3 S+ 0 0 101 -3,-0.1 -1,-0.3 2,-0.1 2,-0.2 0.335 99.1 81.9 -98.6 1.6 11.7 38.6 22.8 28 46 A S S < S- 0 0 38 -3,-1.9 2,-0.4 -7,-0.2 -3,-0.1 -0.647 72.2-131.6-105.5 163.1 12.8 38.3 19.2 29 47 A K - 0 0 70 -2,-0.2 20,-2.8 0, 0.0 2,-0.4 -0.959 20.2-119.1-118.6 136.8 16.3 37.9 17.9 30 48 A V E + B 0 48A 54 -2,-0.4 18,-0.3 18,-0.3 3,-0.1 -0.578 29.0 175.3 -75.2 121.6 17.8 40.0 15.1 31 49 A A E - 0 0 63 16,-2.7 2,-0.3 -2,-0.4 17,-0.2 0.808 70.0 -6.3 -88.9 -40.4 18.9 37.9 12.0 32 50 A L E - B 0 47A 80 15,-1.8 15,-3.0 2,-0.0 2,-0.4 -0.949 54.4-166.4-160.0 136.4 19.9 40.7 9.7 33 51 A A E +AB 8 46A 4 -25,-0.6 -25,-2.3 -2,-0.3 2,-0.3 -0.960 22.1 170.1-119.7 140.9 19.8 44.5 9.7 34 52 A K E -AB 7 45A 33 11,-2.6 11,-2.4 -2,-0.4 2,-0.5 -0.996 36.5-123.9-147.2 155.0 20.4 46.6 6.6 35 53 A X E -AB 6 44A 58 -29,-2.5 -29,-2.5 -2,-0.3 2,-0.4 -0.883 30.6-160.8 -92.5 129.3 20.3 50.0 5.0 36 54 A E E + B 0 43A 31 7,-2.9 7,-2.8 -2,-0.5 2,-0.3 -0.894 22.5 154.3-111.3 136.5 18.2 49.9 1.9 37 55 A S E + B 0 42A 26 -36,-0.4 -33,-0.3 -2,-0.4 2,-0.2 -0.996 25.2 175.9-159.3 161.3 18.5 52.7 -0.6 38 56 A D E > - B 0 41A 75 3,-2.2 3,-0.8 -2,-0.3 -2,-0.0 -0.791 61.9 -66.2-146.6-163.7 18.2 54.0 -4.1 39 57 A F T 3 S+ 0 0 195 -2,-0.2 3,-0.0 1,-0.2 0, 0.0 0.845 131.2 27.5 -59.7 -34.8 18.8 57.4 -5.7 40 58 A L T 3 S+ 0 0 172 1,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.208 118.5 43.8-121.3 14.4 15.9 59.1 -3.9 41 59 A Y E < -B 38 0A 108 -3,-0.8 -3,-2.2 2,-0.0 2,-0.3 -0.996 46.0-167.1-153.9 162.2 15.4 57.1 -0.7 42 60 A K E +B 37 0A 40 -2,-0.3 16,-0.5 -5,-0.2 2,-0.3 -0.988 19.8 160.6-139.6 134.9 17.0 55.5 2.3 43 61 A S E -B 36 0A 3 -7,-2.8 -7,-2.9 -2,-0.3 2,-0.4 -0.926 29.6-127.6-144.3 173.8 15.4 53.1 4.8 44 62 A Y E -BC 35 56A 37 12,-2.2 12,-2.7 -2,-0.3 2,-0.4 -0.995 18.7-167.9-127.1 133.0 16.4 50.6 7.3 45 63 A E E -BC 34 55A 19 -11,-2.4 -11,-2.6 -2,-0.4 2,-0.4 -0.943 3.8-169.8-121.4 139.1 15.1 47.0 7.5 46 64 A V E -BC 33 54A 0 8,-2.6 8,-2.3 -2,-0.4 2,-0.4 -0.998 5.7-164.3-125.0 125.2 15.6 44.5 10.4 47 65 A I E -BC 32 53A 43 -15,-3.0 -16,-2.7 -2,-0.4 -15,-1.8 -0.928 12.3-144.1-108.3 134.5 14.6 40.9 9.9 48 66 A F E > -B 30 0A 2 4,-3.1 3,-2.3 -2,-0.4 -18,-0.3 -0.485 29.1-104.6 -95.5 164.6 14.2 38.7 13.0 49 67 A T T 3 S+ 0 0 97 -20,-2.8 -19,-0.1 1,-0.3 -1,-0.1 0.654 120.9 59.2 -67.5 -15.0 15.1 35.0 13.2 50 68 A N T 3 S- 0 0 62 -21,-0.3 -1,-0.3 2,-0.1 3,-0.1 0.355 122.1-104.9 -89.5 4.0 11.4 34.1 13.0 51 69 A G S < S+ 0 0 29 -3,-2.3 17,-0.2 1,-0.3 -2,-0.1 0.272 77.2 133.7 91.4 -8.6 11.1 35.8 9.7 52 70 A N - 0 0 1 15,-0.1 -4,-3.1 -5,-0.1 2,-0.3 -0.349 36.5-161.8 -71.7 158.1 9.3 38.9 10.9 53 71 A K E -CD 47 66A 36 13,-2.4 13,-3.3 -6,-0.2 2,-0.4 -0.997 18.0-163.0-144.2 145.9 10.5 42.3 9.7 54 72 A V E -CD 46 65A 0 -8,-2.3 -8,-2.6 -2,-0.3 2,-0.4 -0.993 9.8-161.2-126.5 137.6 10.3 46.0 10.4 55 73 A E E -CD 45 64A 26 9,-2.6 8,-3.2 -2,-0.4 9,-1.9 -0.973 9.4-168.8-116.5 140.1 11.2 48.8 8.0 56 74 A F E -CD 44 62A 0 -12,-2.7 -12,-2.2 -2,-0.4 6,-0.2 -0.879 20.5-116.9-124.0 150.1 12.0 52.3 9.2 57 75 A D > - 0 0 20 4,-2.7 3,-2.1 -2,-0.3 -14,-0.2 -0.182 50.0 -84.0 -74.7 179.4 12.4 55.6 7.4 58 76 A K T 3 S+ 0 0 122 -16,-0.5 -15,-0.1 1,-0.3 -1,-0.1 0.689 131.2 52.2 -62.3 -19.7 15.7 57.5 7.4 59 77 A K T 3 S- 0 0 89 2,-0.1 -43,-0.3 -45,-0.1 -1,-0.3 0.403 121.0-103.9 -93.7 -3.3 14.8 59.0 10.8 60 78 A G S < S+ 0 0 3 -3,-2.1 2,-0.5 1,-0.3 -40,-0.2 0.618 73.8 140.9 88.2 12.6 14.0 55.7 12.5 61 79 A N - 0 0 61 1,-0.1 -4,-2.7 -41,-0.0 -1,-0.3 -0.772 58.0-111.6 -86.4 128.2 10.2 56.1 12.3 62 80 A W E +D 56 0A 23 -2,-0.5 -6,-0.3 -6,-0.2 3,-0.1 -0.286 40.2 168.9 -60.0 143.3 8.6 52.7 11.5 63 81 A E E + 0 0 63 -8,-3.2 36,-2.2 1,-0.4 2,-0.3 0.543 69.0 24.7-123.0 -22.0 6.9 52.5 8.1 64 82 A E E -DE 55 98A 23 -9,-1.9 -9,-2.6 34,-0.2 2,-0.5 -0.979 51.4-176.4-148.6 126.5 6.2 48.7 8.0 65 83 A V E -DE 54 97A 0 32,-2.9 32,-2.1 -2,-0.3 2,-0.8 -0.956 12.5-175.1-121.0 106.8 5.8 46.1 10.6 66 84 A D E +DE 53 96A 15 -13,-3.3 -13,-2.4 -2,-0.5 30,-0.2 -0.884 17.1 159.2-109.6 99.3 5.4 42.7 9.0 67 85 A C > + 0 0 1 28,-2.5 3,-1.9 -2,-0.8 29,-0.2 -0.216 16.9 142.2-112.0 46.9 4.7 40.0 11.5 68 86 A K T 3 S+ 0 0 108 1,-0.3 -1,-0.2 -17,-0.2 28,-0.1 0.693 70.9 57.5 -64.5 -14.7 3.2 37.5 9.2 69 87 A H T 3 S- 0 0 110 -3,-0.2 -1,-0.3 26,-0.1 -2,-0.1 0.617 133.8 -7.7 -91.6 -13.1 4.9 34.7 11.2 70 88 A T S < S- 0 0 79 -3,-1.9 2,-0.3 25,-0.2 -3,-0.1 0.015 103.0 -81.4-136.5-108.9 3.3 35.8 14.5 71 89 A S - 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