==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CALCIUM-BINDING PROTEIN 13-DEC-91 1CB1 . COMPND 2 MOLECULE: CALBINDIN D9K; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR M.AKKE,T.DRAKENBERG,W.J.CHAZIN . 78 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4682.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 52 66.7 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 . 3 3.8 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 . 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 . 9 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 30 38.5 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 1 0 0 0 0 0 2 1 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 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 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 -2 A S 0 0 104 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-147.0 -0.3 18.3 5.2 2 -1 A A + 0 0 80 2,-0.1 2,-0.3 75,-0.0 0, 0.0 0.952 360.0 36.3 -51.3 -49.2 -1.8 15.7 7.7 3 0 A Q S S- 0 0 99 74,-0.1 2,-0.5 0, 0.0 74,-0.1 -0.778 104.3-122.0 -97.4 144.1 -0.1 13.3 5.3 4 1 A K - 0 0 45 -2,-0.3 73,-0.2 69,-0.1 -2,-0.1 -0.817 19.3-140.1 -99.3 126.5 3.2 14.6 3.9 5 2 A S > - 0 0 57 -2,-0.5 4,-2.8 1,-0.1 5,-0.2 -0.494 18.7-121.5 -80.2 151.4 3.6 15.0 0.1 6 3 A P H > S+ 0 0 102 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.950 115.6 48.7 -57.9 -50.2 6.9 14.1 -1.6 7 4 A A H > S+ 0 0 62 2,-0.2 4,-2.9 1,-0.2 5,-0.1 0.874 111.7 50.6 -55.3 -40.8 7.2 17.6 -3.0 8 5 A E H > S+ 0 0 64 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.968 113.5 43.2 -61.9 -56.9 6.5 19.0 0.5 9 6 A L H X S+ 0 0 2 -4,-2.8 4,-3.0 1,-0.2 -2,-0.2 0.859 113.8 52.8 -59.6 -37.2 9.2 16.8 2.1 10 7 A K H X S+ 0 0 81 -4,-2.9 4,-3.1 -5,-0.2 -2,-0.2 0.952 110.4 47.0 -62.6 -52.0 11.6 17.6 -0.7 11 8 A S H X S+ 0 0 54 -4,-2.9 4,-2.6 2,-0.2 -2,-0.2 0.940 115.9 44.3 -55.8 -52.1 11.1 21.3 -0.3 12 9 A I H X S+ 0 0 49 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.946 113.5 51.5 -58.7 -49.9 11.6 21.1 3.5 13 10 A F H X S+ 0 0 3 -4,-3.0 4,-3.3 1,-0.2 5,-0.3 0.927 110.7 47.6 -52.3 -51.5 14.5 18.7 3.1 14 11 A E H X S+ 0 0 84 -4,-3.1 4,-2.8 1,-0.2 -1,-0.2 0.926 110.2 53.4 -56.9 -46.2 16.2 21.2 0.6 15 12 A K H < S+ 0 0 134 -4,-2.6 -1,-0.2 -5,-0.2 -2,-0.2 0.875 115.8 40.2 -55.7 -40.9 15.5 24.0 3.1 16 13 A Y H >< S+ 0 0 52 -4,-2.4 3,-2.5 2,-0.2 4,-0.4 0.972 115.2 48.5 -72.9 -58.5 17.2 22.0 5.8 17 14 A A H >< S+ 0 0 0 -4,-3.3 3,-1.8 1,-0.3 7,-0.3 0.856 101.6 65.5 -52.5 -39.7 20.1 20.6 3.8 18 15 A A T 3< S+ 0 0 63 -4,-2.8 -1,-0.3 -5,-0.3 -2,-0.2 0.644 86.8 71.5 -61.8 -11.9 20.9 24.1 2.4 19 16 A K T < S+ 0 0 140 -3,-2.5 -1,-0.3 -4,-0.2 -2,-0.2 0.829 98.1 57.6 -69.7 -31.6 21.8 25.1 6.0 20 17 A E S < S- 0 0 27 -3,-1.8 42,-0.1 -4,-0.4 5,-0.0 -0.482 106.3 -95.6 -95.4 167.3 25.0 23.0 5.6 21 18 A G S S+ 0 0 73 -2,-0.2 -1,-0.1 1,-0.2 -3,-0.0 0.847 113.2 51.8 -49.1 -45.4 27.7 23.3 2.9 22 19 A D S > S- 0 0 64 -5,-0.1 2,-2.6 3,-0.1 3,-1.2 -0.881 72.8-151.5-102.6 110.3 26.2 20.7 0.6 23 20 A P T 3 S+ 0 0 89 0, 0.0 -5,-0.2 0, 0.0 -6,-0.1 -0.331 84.3 76.8 -74.8 59.4 22.4 21.2 -0.2 24 21 A N T 3 S+ 0 0 48 -2,-2.6 42,-2.3 1,-0.4 2,-0.3 0.450 92.9 28.6-143.1 -16.7 22.1 17.4 -0.7 25 22 A Q E < -A 65 0A 7 -3,-1.2 2,-0.4 40,-0.3 -1,-0.4 -0.916 63.4-129.3-139.9 170.3 22.0 15.8 2.9 26 23 A L E -A 64 0A 0 38,-2.2 38,-2.0 -2,-0.3 -9,-0.1 -0.992 24.5-133.9-122.9 134.2 21.0 16.6 6.4 27 24 A S > - 0 0 23 -2,-0.4 4,-3.1 36,-0.3 5,-0.3 -0.236 39.8 -89.9 -71.3 168.8 23.4 16.1 9.3 28 25 A K H > S+ 0 0 117 1,-0.2 4,-3.1 2,-0.2 5,-0.2 0.906 129.3 50.9 -46.5 -51.9 22.2 14.3 12.5 29 26 A E H > S+ 0 0 120 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.920 114.1 43.7 -53.5 -50.0 21.2 17.6 14.1 30 27 A E H > S+ 0 0 11 2,-0.2 4,-2.9 1,-0.2 -2,-0.2 0.927 114.0 49.4 -65.8 -45.6 19.2 18.6 11.0 31 28 A L H X S+ 0 0 6 -4,-3.1 4,-2.9 2,-0.2 -2,-0.2 0.940 110.2 51.9 -59.4 -47.9 17.6 15.2 10.6 32 29 A K H X S+ 0 0 86 -4,-3.1 4,-2.7 -5,-0.3 -1,-0.2 0.945 110.5 48.0 -52.1 -53.5 16.6 15.2 14.2 33 30 A Q H X S+ 0 0 73 -4,-2.3 4,-2.7 1,-0.2 -1,-0.2 0.931 110.0 52.7 -55.8 -47.0 15.0 18.6 13.8 34 31 A L H X S+ 0 0 4 -4,-2.9 4,-2.9 2,-0.2 5,-0.3 0.936 109.2 49.3 -52.2 -48.5 13.2 17.3 10.7 35 32 A I H X S+ 0 0 4 -4,-2.9 4,-3.1 1,-0.2 -1,-0.2 0.940 110.6 50.4 -55.0 -50.4 11.8 14.4 12.7 36 33 A Q H < S+ 0 0 99 -4,-2.7 -1,-0.2 1,-0.2 -2,-0.2 0.895 113.0 47.2 -54.7 -45.3 10.7 16.8 15.4 37 34 A A H < S+ 0 0 62 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.911 118.1 38.6 -65.6 -47.0 8.9 18.9 12.7 38 35 A E H < S- 0 0 24 -4,-2.9 -2,-0.2 1,-0.2 -3,-0.2 0.877 142.6 -11.7 -75.2 -39.3 7.2 16.0 10.9 39 36 A F < - 0 0 13 -4,-3.1 2,-2.6 -5,-0.3 -1,-0.2 -0.612 65.3-140.0-165.3 95.8 6.2 13.9 14.0 40 37 A P S S- 0 0 85 0, 0.0 -4,-0.2 0, 0.0 -5,-0.1 -0.313 73.3 -63.0 -67.8 72.1 7.8 14.8 17.4 41 38 A S S S+ 0 0 41 -2,-2.6 2,-0.5 -6,-0.2 -5,-0.1 0.584 95.9 135.5 61.0 16.5 8.3 11.1 18.6 42 39 A L + 0 0 100 1,-0.1 2,-2.3 2,-0.1 -1,-0.2 -0.024 22.0 143.2 -80.4 35.3 4.5 10.4 18.5 43 40 A L + 0 0 6 -2,-0.5 2,-2.7 4,-0.2 -1,-0.1 -0.439 25.6 179.2 -80.1 68.1 5.5 7.1 16.7 44 41 A K S S+ 0 0 190 -2,-2.3 -1,-0.1 1,-0.1 -2,-0.1 -0.392 79.2 4.5 -72.5 66.8 2.8 5.0 18.4 45 42 A G S S+ 0 0 61 -2,-2.7 2,-2.5 0, 0.0 -1,-0.1 -0.583 125.9 56.1 157.0 -82.1 3.9 1.9 16.5 46 43 A P + 0 0 63 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 -0.386 68.7 176.3 -76.4 63.1 7.0 2.4 14.4 47 44 A R + 0 0 120 -2,-2.5 2,-0.3 -5,-0.1 -4,-0.2 0.595 32.8 123.7 -45.2 -23.8 8.9 3.6 17.5 48 45 A T + 0 0 43 1,-0.2 -7,-0.1 -3,-0.1 -1,-0.0 -0.264 17.5 154.0 -50.7 107.7 12.2 4.0 15.6 49 46 A L S S+ 0 0 41 -2,-0.3 4,-0.2 -8,-0.0 -1,-0.2 0.800 86.5 15.4 -93.3 -47.2 13.4 7.6 16.0 50 47 A D S >> S+ 0 0 86 2,-0.2 4,-2.7 -3,-0.1 3,-0.6 0.772 107.5 74.9-102.0 -33.0 17.1 6.5 15.4 51 48 A D H 3> S+ 0 0 76 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.907 102.8 48.8 -47.7 -43.0 17.2 3.0 13.9 52 49 A L H 3> S+ 0 0 9 2,-0.2 4,-0.7 1,-0.2 -1,-0.3 0.821 109.5 52.4 -67.8 -31.7 16.1 4.6 10.6 53 50 A F H X4 S+ 0 0 22 -3,-0.6 3,-1.8 -4,-0.2 4,-0.3 0.988 111.6 45.4 -66.3 -58.0 18.8 7.3 11.0 54 51 A Q H >< S+ 0 0 98 -4,-2.7 3,-1.8 1,-0.3 -2,-0.2 0.906 107.5 56.6 -52.9 -48.5 21.5 4.7 11.5 55 52 A E H 3< S+ 0 0 124 -4,-2.8 -1,-0.3 1,-0.3 -2,-0.2 0.734 122.4 30.0 -53.3 -24.1 20.3 2.5 8.6 56 53 A L T << S+ 0 0 16 -3,-1.8 2,-2.5 -4,-0.7 9,-0.3 0.161 83.0 134.9-119.7 11.9 20.8 5.7 6.4 57 54 A D < + 0 0 49 -3,-1.8 7,-0.1 -4,-0.3 -3,-0.1 -0.351 24.3 155.1 -72.2 69.7 23.7 7.3 8.3 58 55 A K - 0 0 106 -2,-2.5 2,-0.1 5,-0.1 -2,-0.1 -0.228 31.0-150.3 -78.4 179.8 25.9 8.3 5.4 59 56 A N + 0 0 115 -32,-0.1 4,-0.2 -2,-0.1 5,-0.1 -0.492 41.4 135.9-159.3 80.1 28.4 11.3 5.9 60 57 A G S S- 0 0 66 3,-0.5 4,-0.1 -2,-0.1 3,-0.1 0.923 98.3 -35.1 -85.5 -67.6 29.2 13.3 2.8 61 58 A D S S+ 0 0 76 -39,-0.1 -40,-0.1 2,-0.1 -34,-0.0 0.598 139.9 4.5-120.6 -52.7 29.0 16.8 4.3 62 59 A G S S- 0 0 3 -40,-0.1 -35,-0.3 1,-0.1 -34,-0.1 0.537 98.9 -92.5-100.5-111.3 26.1 16.4 6.7 63 60 A E S S+ 0 0 21 1,-0.3 2,-0.5 -4,-0.2 -3,-0.5 0.341 90.8 41.4-132.1 -94.0 24.6 12.9 7.2 64 61 A V E S-A 26 0A 1 -38,-2.0 -38,-2.2 -7,-0.1 -1,-0.3 -0.612 71.8-144.3 -80.1 116.3 21.6 11.4 5.4 65 62 A S E > -A 25 0A 5 -2,-0.5 4,-3.4 -9,-0.3 -40,-0.3 -0.258 25.7-109.9 -74.4 163.3 21.6 12.2 1.7 66 63 A F H > S+ 0 0 58 -42,-2.3 4,-1.9 1,-0.2 -41,-0.1 0.920 121.2 58.6 -57.3 -42.2 18.5 12.9 -0.4 67 64 A E H 4 S+ 0 0 95 -43,-0.2 4,-0.3 2,-0.2 3,-0.2 0.940 116.6 30.1 -49.6 -57.8 19.3 9.5 -2.0 68 65 A E H >> S+ 0 0 60 1,-0.2 3,-2.5 2,-0.2 4,-0.6 0.924 111.3 67.1 -71.5 -45.9 19.1 7.6 1.3 69 66 A F H >X S+ 0 0 0 -4,-3.4 4,-2.7 1,-0.3 3,-1.0 0.774 84.0 73.7 -45.1 -37.5 16.5 10.0 2.9 70 67 A Q H 3X S+ 0 0 81 -4,-1.9 4,-2.2 1,-0.3 -1,-0.3 0.845 92.6 55.4 -50.8 -33.6 13.8 8.8 0.4 71 68 A V H <> S+ 0 0 76 -3,-2.5 4,-0.6 -4,-0.3 -1,-0.3 0.882 110.3 45.4 -65.9 -36.6 13.7 5.6 2.5 72 69 A L H XX S+ 0 0 6 -3,-1.0 3,-2.2 -4,-0.6 4,-0.6 0.978 109.1 55.8 -66.0 -57.8 12.9 7.8 5.5 73 70 A V H >X S+ 0 0 27 -4,-2.7 3,-2.0 1,-0.3 4,-0.8 0.845 97.4 63.6 -38.9 -53.0 10.4 9.9 3.5 74 71 A K H 3< S+ 0 0 159 -4,-2.2 -1,-0.3 1,-0.3 -2,-0.2 0.786 106.7 44.1 -46.7 -35.8 8.4 6.7 2.6 75 72 A K H << S+ 0 0 78 -3,-2.2 -1,-0.3 -4,-0.6 -2,-0.2 0.509 94.3 79.8 -91.0 -8.2 7.7 6.1 6.4 76 73 A I H << S+ 0 0 2 -3,-2.0 2,-0.2 -4,-0.6 -2,-0.2 0.992 90.3 53.5 -62.0 -61.6 6.7 9.8 7.2 77 74 A S < 0 0 35 -4,-0.8 -74,-0.1 -73,-0.2 -75,-0.0 -0.537 360.0 360.0 -75.3 139.2 3.2 9.6 5.8 78 75 A Q 0 0 157 -2,-0.2 -3,-0.0 0, 0.0 -74,-0.0 -0.951 360.0 360.0-169.6 360.0 1.2 6.7 7.2