==== 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 08-FEB-95 1CLB . COMPND 2 MOLECULE: CALBINDIN D9K; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR N.J.SKELTON,W.J.CHAZIN . 75 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4819.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 54 72.0 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 . 1 1.3 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 . 8 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 34 45.3 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 0 0 0 1 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 . 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 1 A K 0 0 160 0, 0.0 69,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 175.3 6.3 -12.6 3.4 2 2 A S >> - 0 0 45 1,-0.1 4,-2.7 4,-0.0 3,-0.8 -0.385 360.0-101.9 -73.0 156.5 6.4 -11.5 7.1 3 3 A P H 3> S+ 0 0 62 0, 0.0 4,-3.0 0, 0.0 5,-0.2 0.840 124.1 56.8 -42.3 -43.6 5.5 -7.9 8.1 4 4 A E H 3> S+ 0 0 118 2,-0.2 4,-2.8 1,-0.2 5,-0.1 0.919 111.7 40.9 -53.5 -50.7 9.3 -7.2 8.4 5 5 A E H <> S+ 0 0 90 -3,-0.8 4,-3.2 2,-0.2 5,-0.3 0.931 114.5 51.1 -67.6 -47.7 9.9 -8.3 4.8 6 6 A L H X S+ 0 0 6 -4,-2.7 4,-3.0 2,-0.2 -2,-0.2 0.900 112.6 48.1 -57.4 -42.6 6.8 -6.6 3.5 7 7 A K H X S+ 0 0 98 -4,-3.0 4,-3.2 -5,-0.3 5,-0.2 0.971 112.8 47.3 -59.0 -58.8 8.0 -3.4 5.3 8 8 A G H X S+ 0 0 38 -4,-2.8 4,-2.4 2,-0.2 -2,-0.2 0.938 116.0 44.5 -47.5 -55.6 11.5 -3.7 3.9 9 9 A I H X S+ 0 0 26 -4,-3.2 4,-1.2 2,-0.2 5,-0.2 0.947 113.6 50.8 -56.2 -53.7 10.2 -4.4 0.3 10 10 A F H >X S+ 0 0 0 -4,-3.0 4,-2.9 -5,-0.3 3,-1.1 0.947 111.1 48.1 -47.2 -56.5 7.6 -1.5 0.7 11 11 A E H 3X S+ 0 0 61 -4,-3.2 4,-2.9 1,-0.3 -1,-0.2 0.854 100.3 66.5 -58.4 -38.1 10.4 0.9 1.8 12 12 A K H 3< S+ 0 0 156 -4,-2.4 -1,-0.3 -5,-0.2 -2,-0.2 0.865 117.0 26.9 -48.6 -41.4 12.6 -0.2 -1.1 13 13 A Y H << S+ 0 0 31 -4,-1.2 -2,-0.2 -3,-1.1 -1,-0.2 0.798 122.4 52.1 -93.2 -35.4 10.1 1.4 -3.5 14 14 A A H < S+ 0 0 0 -4,-2.9 2,-2.6 -5,-0.2 8,-0.4 0.768 84.7 90.9 -72.1 -27.0 8.6 4.1 -1.1 15 15 A A < + 0 0 66 -4,-2.9 -1,-0.2 -5,-0.2 6,-0.1 -0.337 60.9 99.4 -76.9 64.2 12.0 5.5 -0.1 16 16 A K S S- 0 0 66 -2,-2.6 2,-0.2 3,-0.5 -1,-0.1 0.529 82.4 -66.3-104.1-106.0 12.1 8.2 -2.9 17 17 A E S S+ 0 0 161 2,-0.2 2,-2.4 -3,-0.1 -1,-0.3 -0.849 103.9 42.2-145.6 176.6 11.1 11.8 -2.0 18 18 A G S S+ 0 0 79 -2,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.431 133.2 10.9 76.2 -64.1 8.1 13.8 -0.9 19 19 A D > - 0 0 54 -2,-2.4 3,-0.8 3,-0.2 -3,-0.5 -0.944 67.0-162.0-140.8 120.6 7.2 11.0 1.5 20 20 A P T 3 S+ 0 0 77 0, 0.0 -6,-0.1 0, 0.0 -2,-0.1 0.491 90.9 43.8 -80.0 -7.0 9.8 8.2 2.1 21 21 A N T 3 S+ 0 0 64 -6,-0.1 42,-0.7 -7,-0.1 2,-0.3 -0.081 97.6 78.4-134.3 34.9 7.1 5.7 3.5 22 22 A Q E < -A 62 0A 23 -3,-0.8 2,-0.7 -8,-0.4 40,-0.3 -0.971 69.4-138.0-139.9 128.1 4.2 6.1 1.1 23 23 A L E -A 61 0A 0 38,-2.8 38,-2.0 -2,-0.3 -9,-0.1 -0.768 20.0-148.1 -83.7 117.6 4.0 4.5 -2.4 24 24 A S E > -A 60 0A 9 -2,-0.7 4,-3.1 36,-0.3 5,-0.2 -0.162 37.9 -92.9 -62.8 174.9 2.6 6.9 -4.9 25 25 A K H > S+ 0 0 88 34,-0.6 4,-2.9 2,-0.2 5,-0.2 0.943 132.5 49.5 -54.1 -44.9 0.5 5.5 -7.8 26 26 A E H > S+ 0 0 113 2,-0.2 4,-2.9 1,-0.2 -1,-0.2 0.948 114.4 41.4 -58.3 -54.4 3.8 5.5 -9.7 27 27 A E H > S+ 0 0 49 2,-0.2 4,-3.1 1,-0.2 -1,-0.2 0.857 113.9 53.4 -69.1 -33.4 5.8 3.7 -7.0 28 28 A L H X S+ 0 0 0 -4,-3.1 4,-3.1 2,-0.2 5,-0.2 0.962 112.0 45.5 -60.5 -52.2 2.9 1.3 -6.3 29 29 A K H X S+ 0 0 98 -4,-2.9 4,-3.2 -5,-0.2 5,-0.3 0.937 114.2 48.9 -53.4 -51.4 2.9 0.4 -10.0 30 30 A L H X S+ 0 0 78 -4,-2.9 4,-2.9 1,-0.2 5,-0.4 0.933 113.9 45.8 -57.7 -49.9 6.7 0.1 -9.9 31 31 A L H X>S+ 0 0 0 -4,-3.1 4,-2.7 2,-0.2 5,-1.0 0.949 116.3 45.3 -54.4 -54.9 6.6 -2.1 -6.8 32 32 A L H X5S+ 0 0 4 -4,-3.1 4,-1.7 1,-0.2 7,-0.3 0.961 118.8 41.3 -58.9 -54.4 3.8 -4.3 -8.2 33 33 A Q H <5S+ 0 0 91 -4,-3.2 -1,-0.2 -5,-0.2 -2,-0.2 0.867 124.7 35.2 -61.2 -45.1 5.3 -4.7 -11.6 34 34 A T H <5S+ 0 0 69 -4,-2.9 -3,-0.2 -5,-0.3 -2,-0.2 0.944 131.5 25.2 -80.1 -51.4 8.9 -5.2 -10.5 35 35 A E H <5S+ 0 0 75 -4,-2.7 -3,-0.2 -5,-0.4 -2,-0.2 0.776 134.3 29.6 -87.5 -29.7 8.6 -7.1 -7.2 36 36 A F ><< + 0 0 32 -4,-1.7 3,-1.7 -5,-1.0 -1,-0.2 -0.267 61.7 139.8-132.4 50.9 5.2 -8.8 -7.9 37 37 A P G > S+ 0 0 71 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.858 78.8 59.5 -61.5 -33.9 4.7 -9.4 -11.6 38 38 A S G 3 S+ 0 0 101 1,-0.3 -2,-0.1 -3,-0.1 -5,-0.1 0.701 109.3 44.7 -60.6 -24.6 3.2 -12.8 -10.7 39 39 A L G < + 0 0 71 -3,-1.7 2,-2.6 -7,-0.3 -1,-0.3 -0.317 62.4 153.1-126.7 48.2 0.5 -10.9 -8.6 40 40 A L < + 0 0 100 -3,-1.0 2,-2.4 1,-0.1 -7,-0.0 -0.399 19.1 175.3 -69.9 64.6 -0.6 -8.1 -10.9 41 41 A K + 0 0 114 -2,-2.6 -1,-0.1 5,-0.0 2,-0.1 -0.355 45.1 90.1 -78.7 61.3 -4.0 -8.2 -9.1 42 42 A G S S- 0 0 42 -2,-2.4 4,-0.2 1,-0.2 2,-0.2 0.054 72.5-122.2-116.9-129.5 -5.4 -5.1 -10.9 43 43 A G - 0 0 66 2,-3.0 2,-1.2 -2,-0.1 -1,-0.2 -0.587 69.9 -29.9-151.8-138.7 -7.3 -5.0 -14.2 44 44 A S S S- 0 0 129 -2,-0.2 2,-0.3 2,-0.0 3,-0.0 -0.177 139.4 -5.3 -81.8 43.4 -6.7 -3.4 -17.6 45 45 A T S S- 0 0 60 -2,-1.2 -2,-3.0 2,-0.0 4,-0.0 -0.851 73.7-118.4 153.0-177.4 -5.0 -0.7 -15.4 46 46 A L S > S+ 0 0 30 -2,-0.3 4,-3.0 -4,-0.2 5,-0.1 0.082 82.4 105.5-134.9 16.5 -4.6 -0.3 -11.7 47 47 A D H > S+ 0 0 98 2,-0.2 4,-2.9 1,-0.2 5,-0.2 0.968 84.8 45.9 -57.8 -52.9 -6.4 3.1 -11.4 48 48 A E H > S+ 0 0 139 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.923 113.2 49.9 -57.0 -47.4 -9.5 1.4 -9.9 49 49 A L H > S+ 0 0 18 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.938 110.8 50.4 -54.9 -50.3 -7.2 -0.6 -7.5 50 50 A F H X S+ 0 0 5 -4,-3.0 4,-3.2 1,-0.2 -2,-0.2 0.951 112.0 45.9 -54.4 -54.4 -5.5 2.6 -6.5 51 51 A E H < S+ 0 0 127 -4,-2.9 -1,-0.2 1,-0.2 -2,-0.2 0.886 112.4 52.3 -57.3 -41.4 -8.8 4.4 -5.8 52 52 A E H < S+ 0 0 98 -4,-2.8 -1,-0.2 -5,-0.2 -2,-0.2 0.893 116.8 39.2 -59.7 -43.0 -10.0 1.3 -3.9 53 53 A L H < S+ 0 0 14 -4,-2.5 2,-2.6 1,-0.2 4,-0.2 0.947 100.3 73.7 -74.1 -51.4 -6.8 1.4 -1.8 54 54 A D < + 0 0 34 -4,-3.2 -1,-0.2 1,-0.2 5,-0.2 -0.337 48.9 119.0 -76.6 69.0 -6.3 5.1 -1.2 55 55 A K S S+ 0 0 160 -2,-2.6 -1,-0.2 -3,-0.2 6,-0.1 -0.274 96.3 14.8-108.0 37.0 -9.1 5.8 1.3 56 56 A N S S+ 0 0 99 4,-0.2 2,-1.3 6,-0.0 -2,-0.1 0.114 104.0 76.4-170.5 -66.6 -6.2 6.9 3.6 57 57 A G S > S- 0 0 2 3,-0.3 3,-1.2 -4,-0.2 -3,-0.1 0.093 92.9-116.5 -74.6 30.6 -2.7 7.5 2.1 58 58 A D T 3 S- 0 0 142 -2,-1.3 -1,-0.1 1,-0.3 3,-0.1 0.882 86.1 -29.7 42.7 62.7 -3.5 10.9 0.6 59 59 A G T 3 S+ 0 0 18 1,-0.3 -34,-0.6 -5,-0.2 -1,-0.3 0.580 138.0 66.6 73.2 12.7 -3.0 10.0 -3.1 60 60 A E E < S-A 24 0A 36 -3,-1.2 2,-0.5 -36,-0.2 -1,-0.3 -0.770 86.9-104.7-141.1-173.3 -0.4 7.4 -2.1 61 61 A V E -A 23 0A 0 -38,-2.0 -38,-2.8 -2,-0.2 -7,-0.1 -0.973 29.1-149.2-124.8 109.9 -0.4 4.0 -0.2 62 62 A S E > -A 22 0A 24 -2,-0.5 4,-2.8 -40,-0.3 5,-0.2 -0.246 35.1 -97.8 -69.5 167.4 1.0 4.0 3.4 63 63 A F H > S+ 0 0 48 -42,-0.7 4,-3.2 1,-0.2 5,-0.2 0.920 125.8 49.6 -57.4 -47.3 2.7 0.8 4.7 64 64 A E H > S+ 0 0 144 2,-0.2 4,-3.0 1,-0.2 -1,-0.2 0.937 111.4 49.2 -53.4 -50.8 -0.4 -0.3 6.5 65 65 A E H > S+ 0 0 14 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.910 114.0 46.4 -58.6 -44.4 -2.5 0.2 3.3 66 66 A F H X S+ 0 0 2 -4,-2.8 4,-2.9 2,-0.2 -2,-0.2 0.930 111.0 50.6 -62.0 -47.8 0.1 -1.8 1.3 67 67 A Q H X S+ 0 0 41 -4,-3.2 4,-2.8 1,-0.2 -2,-0.2 0.930 110.3 51.2 -59.7 -43.0 0.3 -4.6 4.0 68 68 A V H X S+ 0 0 77 -4,-3.0 4,-2.7 2,-0.2 -1,-0.2 0.917 108.4 52.0 -56.3 -46.9 -3.5 -4.7 3.7 69 69 A L H X S+ 0 0 3 -4,-2.4 4,-3.0 2,-0.2 -2,-0.2 0.961 110.3 47.7 -53.1 -53.2 -3.2 -5.0 -0.1 70 70 A V H X S+ 0 0 19 -4,-2.9 4,-3.0 1,-0.2 -2,-0.2 0.914 110.7 52.6 -55.6 -43.5 -0.7 -7.9 0.4 71 71 A K H X S+ 0 0 93 -4,-2.8 4,-2.7 2,-0.2 -1,-0.2 0.923 111.3 46.4 -54.2 -50.1 -3.3 -9.4 2.8 72 72 A K H < S+ 0 0 83 -4,-2.7 -2,-0.2 2,-0.2 -1,-0.2 0.946 112.6 49.4 -58.5 -51.9 -6.0 -9.1 0.2 73 73 A I H < S+ 0 0 26 -4,-3.0 -2,-0.2 2,-0.3 -1,-0.2 0.919 111.8 49.2 -52.3 -48.8 -3.7 -10.6 -2.6 74 74 A S H < 0 0 96 -4,-3.0 -1,-0.2 1,-0.3 -2,-0.2 0.924 360.0 360.0 -62.1 -45.9 -2.9 -13.5 -0.2 75 75 A Q < 0 0 188 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.3 0.522 360.0 360.0 -72.7 360.0 -6.6 -13.9 0.4