==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CALCIUM-BINDING PROTEIN 23-APR-93 1BOC . COMPND 2 MOLECULE: CALBINDIN D9K; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR C.JOHANSSON,M.ULLNER,T.DRAKENBERG . 76 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5120.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 42 55.3 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 . 4 5.3 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 . 0 0.0 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-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 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 19.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 25.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.3 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 3 1 1 0 0 0 0 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 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 M 0 0 139 0, 0.0 70,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -40.9 12.3 4.4 4.2 2 1 A K + 0 0 76 2,-0.1 69,-0.0 73,-0.0 0, 0.0 0.731 360.0 6.0 -75.0 -17.5 10.0 7.5 4.5 3 2 A S S S- 0 0 27 72,-0.1 2,-2.7 71,-0.0 3,-0.4 -0.784 117.8 -47.0-145.9-172.7 10.6 7.3 8.3 4 3 A P S S- 0 0 122 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 -0.341 115.5 -47.6 -63.3 72.2 12.7 5.4 10.8 5 4 A E S S+ 0 0 174 -2,-2.7 0, 0.0 1,-0.1 0, 0.0 0.929 114.4 113.8 66.0 42.8 11.9 1.9 9.3 6 5 A E S > S+ 0 0 86 -3,-0.4 4,-0.9 3,-0.1 30,-0.1 0.710 76.3 37.5-113.7 -33.7 8.1 2.7 9.1 7 6 A L H >> S+ 0 0 2 -4,-0.2 4,-1.4 2,-0.2 3,-0.6 0.959 114.4 50.3 -82.9 -61.0 7.6 2.7 5.3 8 7 A K H 34 S+ 0 0 132 1,-0.2 -1,-0.2 -5,-0.2 5,-0.2 0.787 103.9 69.7 -49.3 -20.6 9.9 -0.1 4.2 9 8 A G H 3> S+ 0 0 16 1,-0.2 4,-2.2 3,-0.1 3,-0.4 0.986 92.6 50.0 -64.5 -56.7 8.1 -2.0 6.9 10 9 A I H <<>S+ 0 0 2 -4,-0.9 2,-2.2 -3,-0.6 5,-2.1 0.929 104.0 67.0 -46.9 -40.7 4.7 -2.3 5.2 11 10 A F T <5S+ 0 0 9 -4,-1.4 -1,-0.3 1,-0.2 10,-0.2 -0.296 114.2 23.3 -77.4 58.1 6.9 -3.5 2.4 12 11 A E T 45S+ 0 0 116 -2,-2.2 -1,-0.2 -3,-0.4 -2,-0.2 0.055 123.7 52.8 172.2 -26.7 7.8 -6.7 4.2 13 12 A K T X5S+ 0 0 133 -4,-2.2 4,-1.1 -3,-0.2 -3,-0.2 0.910 129.2 6.1 -88.7 -76.4 4.9 -7.1 6.6 14 13 A Y H >>5S+ 0 0 19 -4,-0.5 4,-1.3 2,-0.2 3,-0.6 0.944 130.0 57.2 -77.4 -47.8 1.7 -6.9 4.6 15 14 A A H 3> -A 61 0A 3 36,-0.3 3,-0.9 -2,-0.2 4,-0.2 -0.878 47.5 -83.5-159.5-173.6 -2.1 -5.8 -3.2 26 25 A K G >> S+ 0 0 93 34,-0.6 4,-0.8 -2,-0.3 3,-0.6 0.799 123.5 60.6 -77.0 -25.8 -5.5 -4.4 -2.1 27 26 A E G 34 S+ 0 0 93 1,-0.2 -1,-0.2 2,-0.1 4,-0.0 0.394 112.7 38.5 -81.5 7.4 -5.7 -6.8 0.9 28 27 A E G <4 S+ 0 0 0 -3,-0.9 -1,-0.2 2,-0.1 -13,-0.2 0.299 101.6 66.9-139.0 11.4 -2.5 -5.3 2.3 29 28 A L T X> S+ 0 0 19 -3,-0.6 4,-1.0 -4,-0.2 3,-0.7 0.830 100.7 50.4 -97.5 -42.2 -2.7 -1.5 1.6 30 29 A K H 3X S+ 0 0 83 -4,-0.8 4,-2.2 1,-0.3 5,-0.2 0.941 103.7 58.6 -58.5 -48.5 -5.6 -0.9 3.9 31 30 A L H 3> S+ 0 0 73 2,-0.2 4,-2.0 1,-0.2 -1,-0.3 0.826 98.2 68.1 -54.4 -26.4 -3.8 -2.7 6.8 32 31 A L H X> S+ 0 0 2 -3,-0.7 4,-2.3 2,-0.2 3,-1.2 0.982 106.4 31.1 -57.5 -80.0 -1.1 -0.1 6.2 33 32 A L H 3< S+ 0 0 3 -4,-1.0 6,-0.2 1,-0.3 -1,-0.2 0.921 113.1 66.4 -47.9 -44.0 -2.9 3.0 7.4 34 33 A Q H 3< S+ 0 0 100 -4,-2.2 -1,-0.3 3,-0.4 -2,-0.2 0.922 110.6 35.6 -45.6 -45.7 -4.8 0.9 9.9 35 34 A T H << S+ 0 0 80 -4,-2.0 -2,-0.2 -3,-1.2 -1,-0.2 0.972 137.4 21.5 -73.5 -53.5 -1.5 0.2 11.7 36 35 A E S < S- 0 0 52 -4,-2.3 -3,-0.2 -5,-0.2 -2,-0.2 0.979 148.9 -21.8 -78.2 -66.2 -0.0 3.7 11.1 37 36 A F > - 0 0 48 -5,-0.2 3,-2.2 1,-0.1 -3,-0.4 -0.656 57.7-165.5-149.0 87.0 -3.1 5.8 10.5 38 37 A P G > S+ 0 0 59 0, 0.0 3,-1.0 0, 0.0 -4,-0.4 0.813 89.9 57.0 -42.5 -42.0 -6.2 3.9 9.3 39 38 A S G 3 S+ 0 0 73 -6,-0.2 3,-0.1 1,-0.2 -5,-0.0 0.226 77.2 96.8 -81.7 22.6 -7.9 7.1 8.1 40 39 A L G < + 0 0 59 -3,-2.2 2,-1.3 1,-0.2 -1,-0.2 0.661 66.0 78.5 -82.3 -12.6 -5.0 8.0 5.8 41 40 A L < + 0 0 31 -3,-1.0 -1,-0.2 -4,-0.2 5,-0.2 -0.461 66.7 122.3 -92.8 65.5 -6.9 6.4 2.9 42 41 A K + 0 0 132 -2,-1.3 5,-0.1 -3,-0.1 -2,-0.1 0.327 9.2 113.6 -97.4-130.4 -9.3 9.3 2.3 43 42 A G S S- 0 0 67 3,-0.1 -1,-0.1 2,-0.1 -2,-0.0 0.625 91.6 -99.0 72.3 7.4 -9.7 11.2 -1.0 44 43 A M S S+ 0 0 160 1,-0.1 5,-0.2 -3,-0.1 3,-0.1 0.240 111.4 48.2 61.4 163.9 -13.2 9.8 -1.1 45 44 A S S > S+ 0 0 74 1,-0.1 4,-1.2 2,-0.1 3,-0.3 0.815 88.7 153.1 41.7 27.4 -14.1 6.7 -3.2 46 45 A T T 4 + 0 0 31 1,-0.2 -4,-0.1 2,-0.2 -3,-0.1 0.020 34.4 70.1 -75.0-171.8 -10.9 5.3 -1.5 47 46 A L T 4 S+ 0 0 85 1,-0.2 -1,-0.2 -5,-0.1 -17,-0.1 0.579 121.2 27.1 76.9 3.9 -10.3 1.6 -0.8 48 47 A D T >> S+ 0 0 90 -3,-0.3 3,-1.3 3,-0.0 4,-1.1 0.335 105.8 65.2-161.6 -41.9 -9.8 1.4 -4.6 49 48 A E H 3X S+ 0 0 105 -4,-1.2 4,-1.1 1,-0.3 -3,-0.1 0.596 94.9 68.6 -74.4 -3.0 -8.7 4.7 -6.2 50 49 A L H 34 S+ 0 0 17 2,-0.2 4,-0.3 1,-0.2 -1,-0.3 0.718 96.8 52.9 -83.5 -20.3 -5.5 4.2 -4.3 51 50 A F H X> S+ 0 0 33 -3,-1.3 4,-1.7 2,-0.2 3,-0.6 0.891 112.9 40.4 -81.0 -41.8 -4.7 1.2 -6.5 52 51 A E H 3< S+ 0 0 140 -4,-1.1 -2,-0.2 1,-0.2 -1,-0.1 0.777 103.1 69.8 -78.6 -24.0 -5.1 3.1 -9.8 53 52 A E T 3< S+ 0 0 126 -4,-1.1 -1,-0.2 -5,-0.2 -2,-0.2 0.735 113.5 29.9 -66.0 -16.6 -3.4 6.2 -8.4 54 53 A L T <4 S- 0 0 25 -3,-0.6 2,-0.2 1,-0.4 -2,-0.2 0.817 132.9 -1.3-105.3 -65.2 -0.2 4.1 -8.5 55 54 A D < - 0 0 47 -4,-1.7 -1,-0.4 6,-0.1 7,-0.0 -0.666 46.7-154.7-120.2 178.2 -0.4 1.5 -11.3 56 55 A K S S+ 0 0 176 -2,-0.2 -4,-0.1 -3,-0.1 -1,-0.1 0.264 93.9 21.1-136.6 7.9 -3.1 0.6 -13.9 57 56 A N + 0 0 120 4,-0.1 -5,-0.1 -5,-0.0 4,-0.0 0.220 69.6 128.2-160.8 15.6 -2.2 -3.0 -14.7 58 57 A G S S- 0 0 25 -7,-0.2 4,-0.1 1,-0.2 8,-0.0 0.828 79.1-121.1 -49.0 -25.5 -0.2 -4.3 -11.7 59 58 A D S S- 0 0 142 1,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.681 74.2 -42.0 89.8 21.6 -2.9 -7.0 -11.9 60 59 A G S S+ 0 0 37 1,-0.4 -34,-0.6 -9,-0.1 2,-0.3 0.435 122.7 102.8 103.4 1.0 -4.0 -6.3 -8.4 61 60 A E E -A 25 0A 66 -36,-0.2 -1,-0.4 -35,-0.1 2,-0.4 -0.786 54.4-155.3-113.9 160.3 -0.4 -5.9 -7.0 62 61 A V E -A 24 0A 7 -38,-1.5 -38,-1.4 -2,-0.3 -37,-0.1 -0.867 11.9-160.3-136.6 102.1 1.6 -2.8 -6.1 63 62 A S E >> -A 23 0A 43 -2,-0.4 4,-1.9 -40,-0.2 3,-1.5 -0.186 43.2 -92.9 -74.1 174.3 5.3 -3.1 -6.2 64 63 A F T 34 S+ 0 0 52 -42,-0.9 -1,-0.1 1,-0.3 -41,-0.1 0.673 125.5 69.1 -64.8 -10.7 7.5 -0.6 -4.4 65 64 A E T 34 S+ 0 0 138 1,-0.2 -1,-0.3 2,-0.1 3,-0.2 0.840 111.8 28.8 -76.5 -29.3 7.6 1.3 -7.7 66 65 A E T X4 S+ 0 0 35 -3,-1.5 3,-0.6 1,-0.2 4,-0.2 0.614 109.9 70.7-101.6 -16.7 3.9 2.2 -7.3 67 66 A F T 3X S+ 0 0 2 -4,-1.9 4,-0.6 1,-0.2 -1,-0.2 0.328 79.0 84.5 -81.4 11.0 4.0 2.1 -3.5 68 67 A Q H >> S+ 0 0 78 -3,-0.2 4,-1.1 2,-0.2 3,-0.8 0.885 76.2 62.6 -81.0 -39.8 6.1 5.4 -3.6 69 68 A V H <4 S+ 0 0 71 -3,-0.6 -1,-0.2 1,-0.3 -2,-0.1 0.775 109.9 45.5 -56.9 -18.5 3.1 7.7 -3.9 70 69 A L H >4 S+ 0 0 8 -4,-0.2 3,-2.1 1,-0.1 -1,-0.3 0.677 92.9 76.5 -95.9 -23.7 2.3 6.2 -0.4 71 70 A V H XX S+ 0 0 12 -3,-0.8 3,-1.1 -4,-0.6 4,-0.8 0.879 93.5 54.7 -58.1 -31.0 5.9 6.5 0.9 72 71 A K T 3< S+ 0 0 134 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.1 0.110 97.3 69.2 -87.9 26.3 5.1 10.3 1.3 73 72 A K T <4 S+ 0 0 81 -3,-2.1 -1,-0.2 -5,-0.1 -2,-0.2 0.327 97.9 46.0-120.3 1.2 2.1 9.3 3.4 74 73 A I T <4 S+ 0 0 4 -3,-1.1 -2,-0.1 -4,-0.2 -3,-0.1 0.774 93.8 67.2-109.2 -49.8 3.9 7.9 6.5 75 74 A S < 0 0 45 -4,-0.8 -3,-0.1 1,-0.2 -72,-0.1 0.928 360.0 360.0 -43.6 -85.4 6.6 10.3 7.5 76 75 A Q 0 0 188 -4,-0.1 -1,-0.2 -73,-0.0 -2,-0.1 -0.314 360.0 360.0 53.6 360.0 4.7 13.4 8.7