==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-APR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CALCIUM BINDING PROTEIN 25-MAY-10 2KYF . COMPND 2 MOLECULE: PARVALBUMIN, THYMIC CPV3; . SOURCE 2 ORGANISM_SCIENTIFIC: GALLUS GALLUS; . AUTHOR M.T.HENZL,J.J.TANNER,A.TAN . 108 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5943.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 55 50.9 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 2.8 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 . 2 1.9 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 . 2 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 14.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 29 26.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.9 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 2 1 0 1 1 0 1 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 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 1 A S 0 0 126 0, 0.0 69,-0.1 0, 0.0 70,-0.0 0.000 360.0 360.0 360.0 135.4 2.1 0.0 -1.2 2 2 A L + 0 0 34 67,-0.4 5,-0.1 1,-0.1 68,-0.1 0.981 360.0 154.4 -52.3 -74.8 2.9 -3.1 -3.3 3 3 A T + 0 0 86 3,-0.2 -1,-0.1 1,-0.1 4,-0.1 0.785 53.2 92.9 47.4 29.2 6.7 -2.9 -3.3 4 4 A D S S+ 0 0 125 2,-0.1 -1,-0.1 3,-0.1 3,-0.1 0.346 100.0 6.8-127.3 -1.7 6.5 -6.7 -3.8 5 5 A I S S+ 0 0 19 1,-0.6 2,-0.2 40,-0.0 38,-0.1 0.399 122.0 38.7-142.3 -66.2 6.6 -6.8 -7.6 6 6 A L S S- 0 0 11 1,-0.1 -1,-0.6 2,-0.0 -3,-0.2 -0.612 83.6-103.5 -96.8 158.1 7.2 -3.5 -9.4 7 7 A S > - 0 0 62 26,-0.3 4,-1.2 -2,-0.2 5,-0.1 -0.335 21.6-124.8 -77.0 160.2 9.6 -0.7 -8.3 8 8 A P H > S+ 0 0 78 0, 0.0 4,-3.3 0, 0.0 3,-0.4 0.937 109.5 52.6 -69.8 -49.3 8.4 2.5 -6.7 9 9 A S H > S+ 0 0 83 1,-0.2 4,-0.8 2,-0.2 5,-0.1 0.818 109.4 52.5 -57.4 -31.3 10.0 4.9 -9.2 10 10 A D H > S+ 0 0 60 2,-0.2 4,-0.9 3,-0.1 -1,-0.2 0.850 114.6 40.8 -73.4 -35.5 8.3 3.0 -11.9 11 11 A I H >X S+ 0 0 16 -4,-1.2 4,-2.8 -3,-0.4 3,-0.6 0.940 110.9 53.8 -77.4 -51.1 4.9 3.3 -10.3 12 12 A A H 3X S+ 0 0 38 -4,-3.3 4,-1.2 1,-0.3 -1,-0.2 0.758 112.2 49.0 -55.3 -24.6 5.1 6.9 -9.2 13 13 A A H 3X S+ 0 0 50 -4,-0.8 4,-0.8 -5,-0.3 -1,-0.3 0.788 112.3 45.8 -85.3 -31.1 6.0 7.7 -12.8 14 14 A A H < S+ 0 0 174 -4,-1.2 3,-0.6 -5,-0.2 4,-0.3 0.774 105.2 72.5 -66.9 -26.2 1.3 10.9 -12.5 17 17 A D H 3< S+ 0 0 81 -4,-0.8 -1,-0.2 1,-0.2 -2,-0.2 0.935 125.3 1.5 -53.8 -51.3 1.6 9.9 -16.1 18 18 A C T 3< S+ 0 0 22 -4,-1.1 6,-0.3 -3,-0.4 5,-0.3 -0.215 85.3 135.8-133.1 42.9 -2.2 9.4 -16.4 19 19 A Q < + 0 0 127 -3,-0.6 56,-0.2 4,-0.1 -3,-0.1 0.847 51.1 94.6 -59.4 -34.9 -3.4 10.3 -12.9 20 20 A A S >> S- 0 0 39 -4,-0.3 3,-1.1 1,-0.1 4,-0.5 -0.166 90.4 -94.4 -58.0 151.7 -6.2 12.3 -14.5 21 21 A P T 34 S+ 0 0 58 0, 0.0 -1,-0.1 0, 0.0 56,-0.1 -0.371 105.1 6.3 -69.8 146.1 -9.6 10.6 -15.0 22 22 A D T 34 S+ 0 0 90 1,-0.1 -2,-0.1 -3,-0.1 -3,-0.1 0.793 109.2 98.1 51.4 29.0 -10.4 9.0 -18.4 23 23 A S T <4 S+ 0 0 73 -3,-1.1 -1,-0.1 -5,-0.3 -4,-0.1 0.618 70.5 60.2-114.9 -25.9 -6.8 9.8 -19.3 24 24 A F < - 0 0 9 -4,-0.5 5,-0.1 -6,-0.3 -9,-0.0 -0.279 68.0-147.5 -94.9-176.7 -5.1 6.4 -18.6 25 25 A S > - 0 0 37 -2,-0.1 3,-1.2 1,-0.1 56,-0.1 -0.980 26.7-116.6-151.3 160.2 -5.7 3.0 -20.1 26 26 A P T 3 S+ 0 0 11 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 0.743 119.5 39.7 -69.7 -24.0 -5.5 -0.7 -19.1 27 27 A K T 3 S+ 0 0 110 1,-0.1 79,-0.0 2,-0.1 -3,-0.0 -0.049 106.5 66.4-115.1 29.6 -2.8 -1.3 -21.7 28 28 A K S < S+ 0 0 104 -3,-1.2 -1,-0.1 2,-0.1 4,-0.1 0.066 85.6 67.1-135.3 22.2 -0.9 1.9 -21.0 29 29 A F S > S+ 0 0 5 -3,-0.3 4,-0.7 2,-0.1 5,-0.4 0.358 87.7 65.3-121.8 -1.7 0.3 1.3 -17.4 30 30 A F T 4 S+ 0 0 66 3,-0.2 7,-0.3 4,-0.2 6,-0.2 0.554 95.6 58.6 -96.8 -11.9 2.8 -1.5 -18.2 31 31 A Q T 4 S+ 0 0 123 3,-0.1 -1,-0.1 2,-0.1 -2,-0.1 0.835 114.9 33.1 -84.8 -36.7 5.1 0.7 -20.2 32 32 A I T 4 S+ 0 0 47 -4,-0.1 -19,-0.2 -18,-0.1 -18,-0.2 0.780 133.3 30.6 -88.4 -31.2 5.8 3.2 -17.4 33 33 A S S < S- 0 0 2 -4,-0.7 -26,-0.3 -20,-0.1 -3,-0.2 0.925 96.8-125.8 -90.0 -69.9 5.6 0.6 -14.6 34 34 A G + 0 0 8 -5,-0.4 4,-0.4 -28,-0.1 -4,-0.2 0.626 54.8 142.9 124.5 32.1 6.7 -2.7 -16.0 35 35 A M S > S+ 0 0 11 -6,-0.3 3,-2.5 1,-0.2 72,-0.2 0.941 74.2 55.5 -64.0 -49.2 3.9 -5.1 -15.2 36 36 A S T 3 S+ 0 0 27 1,-0.3 -1,-0.2 70,-0.2 71,-0.1 0.832 98.8 63.9 -53.0 -33.8 4.3 -7.1 -18.5 37 37 A K T 3 S+ 0 0 152 -7,-0.3 -1,-0.3 -3,-0.1 2,-0.2 0.733 93.5 80.6 -63.5 -21.8 8.0 -7.6 -17.5 38 38 A K S < S- 0 0 54 -3,-2.5 69,-0.1 -4,-0.4 2,-0.0 -0.555 90.0-106.5 -87.2 152.3 6.7 -9.6 -14.5 39 39 A S >> - 0 0 58 -2,-0.2 4,-2.2 1,-0.1 3,-0.7 -0.306 32.4-104.5 -74.0 160.1 5.6 -13.2 -14.8 40 40 A S T 34 S+ 0 0 40 1,-0.3 4,-0.3 2,-0.2 63,-0.2 0.771 124.9 54.1 -54.7 -25.9 1.9 -14.3 -14.7 41 41 A S T 3> S+ 0 0 60 2,-0.2 4,-0.8 1,-0.2 3,-0.4 0.854 107.9 47.1 -77.3 -36.8 2.6 -15.4 -11.2 42 42 A Q T <4 S+ 0 0 74 -3,-0.7 4,-0.4 1,-0.2 3,-0.3 0.799 107.5 57.1 -74.4 -29.7 4.0 -12.1 -10.1 43 43 A L T X S+ 0 0 0 -4,-2.2 4,-0.7 1,-0.2 -1,-0.2 0.622 100.1 61.0 -75.8 -12.9 1.1 -10.2 -11.6 44 44 A K H > S+ 0 0 72 -3,-0.4 4,-1.5 -4,-0.3 3,-0.3 0.810 87.7 69.4 -82.2 -32.6 -1.2 -12.3 -9.4 45 45 A E H < S+ 0 0 106 -4,-0.8 -1,-0.2 -3,-0.3 -2,-0.2 0.798 100.1 51.2 -55.3 -29.2 0.3 -11.0 -6.2 46 46 A I H >> S+ 0 0 6 -4,-0.4 3,-2.1 1,-0.2 4,-0.8 0.871 99.9 61.2 -76.4 -39.0 -1.4 -7.7 -7.1 47 47 A F H >X S+ 0 0 22 -4,-0.7 4,-1.7 1,-0.3 3,-1.1 0.865 96.4 60.9 -55.4 -38.1 -4.8 -9.2 -7.7 48 48 A R H 3< S+ 0 0 140 -4,-1.5 -1,-0.3 1,-0.3 -2,-0.2 0.650 105.5 49.5 -64.7 -13.8 -4.9 -10.4 -4.1 49 49 A I H <4 S+ 0 0 81 -3,-2.1 -1,-0.3 -4,-0.1 -2,-0.2 0.586 108.1 51.8 -99.1 -15.1 -4.6 -6.7 -3.2 50 50 A L H << S+ 0 0 4 -3,-1.1 2,-1.3 -4,-0.8 -2,-0.2 0.718 82.2 98.3 -91.8 -25.3 -7.4 -5.6 -5.5 51 51 A D < + 0 0 7 -4,-1.7 3,-0.1 1,-0.2 7,-0.1 -0.495 43.4 171.9 -68.2 94.4 -9.9 -8.1 -4.1 52 52 A N S S+ 0 0 94 -2,-1.3 -1,-0.2 1,-0.2 6,-0.1 0.323 80.4 45.5 -86.4 8.0 -11.9 -5.9 -1.7 53 53 A D S S- 0 0 71 4,-0.3 -1,-0.2 6,-0.0 -2,-0.1 0.474 94.1-138.3-123.3 -13.6 -14.3 -8.8 -1.2 54 54 A Q + 0 0 124 3,-0.2 4,-0.1 -3,-0.1 -2,-0.1 0.671 69.5 122.8 60.7 15.3 -11.9 -11.7 -0.8 55 55 A S S S- 0 0 75 2,-0.3 -1,-0.1 1,-0.0 3,-0.1 0.851 88.3-100.1 -74.7 -35.9 -14.4 -13.6 -3.1 56 56 A G S S+ 0 0 27 1,-0.5 43,-0.4 -9,-0.1 2,-0.3 0.207 93.4 65.2 134.6 -13.5 -11.7 -14.4 -5.6 57 57 A F S S- 0 0 84 41,-0.1 2,-0.6 42,-0.1 -1,-0.5 -0.837 74.8-120.9-132.4 169.8 -12.3 -11.8 -8.3 58 58 A I E -A 97 0A 1 39,-2.2 39,-1.2 -2,-0.3 40,-0.1 -0.716 34.2-166.1-115.5 80.1 -12.2 -8.0 -8.7 59 59 A E E >> -A 96 0A 56 -2,-0.6 3,-1.5 37,-0.3 4,-1.4 0.061 40.2 -95.3 -55.2 172.8 -15.7 -6.8 -9.7 60 60 A E H 3> S+ 0 0 79 35,-1.0 4,-1.9 1,-0.3 5,-0.1 0.832 124.6 65.8 -62.0 -32.8 -16.3 -3.4 -11.1 61 61 A D H 34 S+ 0 0 126 1,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.708 116.2 28.7 -62.3 -19.3 -17.2 -2.2 -7.6 62 62 A E H <4 S+ 0 0 2 -3,-1.5 3,-0.4 2,-0.1 -1,-0.2 0.476 112.5 66.1-116.5 -11.0 -13.5 -2.9 -6.7 63 63 A L H >< S+ 0 0 0 -4,-1.4 3,-1.5 1,-0.2 -2,-0.2 0.778 87.1 68.6 -81.6 -28.8 -12.0 -2.3 -10.1 64 64 A K T 3< S+ 0 0 76 -4,-1.9 13,-0.8 1,-0.3 3,-0.4 0.641 91.0 65.4 -64.5 -12.9 -12.9 1.4 -10.1 65 65 A Y T > + 0 0 82 -3,-0.4 3,-1.6 11,-0.2 -1,-0.3 0.055 62.1 120.6 -97.3 24.1 -10.2 1.6 -7.3 66 66 A F T X> S+ 0 0 4 -3,-1.5 3,-1.0 1,-0.3 4,-0.6 0.844 77.1 50.0 -55.4 -35.1 -7.5 0.7 -9.7 67 67 A L H 3>>S+ 0 0 6 -3,-0.4 4,-1.1 8,-0.3 7,-0.6 0.609 100.5 65.3 -79.4 -12.4 -5.8 4.0 -8.9 68 68 A Q H <45S+ 0 0 37 -3,-1.6 -1,-0.2 3,-0.2 -2,-0.2 0.331 96.2 58.4 -90.5 6.4 -6.2 3.3 -5.2 69 69 A R H <45S+ 0 0 59 -3,-1.0 -67,-0.4 -4,-0.2 -2,-0.2 0.733 115.9 28.8-103.1 -33.2 -3.8 0.3 -5.5 70 70 A F H <5S+ 0 0 26 -4,-0.6 -2,-0.2 -69,-0.1 -3,-0.1 0.641 139.8 24.3-100.4 -20.9 -0.7 2.2 -6.9 71 71 A E T <5S- 0 0 97 -4,-1.1 -3,-0.2 -5,-0.1 -4,-0.1 0.700 86.7-148.1-111.9 -35.6 -1.5 5.5 -5.2 72 72 A S S >> - 0 0 65 -2,-0.2 4,-2.0 1,-0.0 3,-1.9 -0.440 37.5 -89.9-104.8-179.5 -15.3 6.1 -14.8 79 79 A A T 345S+ 0 0 66 1,-0.3 5,-0.1 2,-0.2 4,-0.1 0.623 130.1 52.4 -65.7 -11.6 -17.6 4.3 -17.1 80 80 A S T 345S+ 0 0 53 3,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.405 117.8 35.5-102.9 -1.4 -15.0 4.8 -19.8 81 81 A E T <>5S+ 0 0 7 -3,-1.9 4,-2.6 3,-0.1 5,-0.3 0.746 115.9 44.0-113.1 -64.2 -12.2 3.3 -17.7 82 82 A T H X5S+ 0 0 13 -4,-2.0 4,-2.8 1,-0.2 5,-0.2 0.914 114.6 52.8 -50.9 -48.7 -13.5 0.4 -15.6 83 83 A K H >X S+ 0 0 6 -4,-2.6 3,-1.3 1,-0.3 4,-1.1 0.898 114.0 48.1 -50.5 -45.4 -10.1 -2.6 -18.2 86 86 A L H 3X>S+ 0 0 23 -4,-2.8 4,-1.3 1,-0.3 5,-1.1 0.866 110.4 51.1 -64.8 -36.9 -12.7 -5.2 -17.6 87 87 A A H 3<5S+ 0 0 73 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.374 112.3 49.3 -81.6 5.2 -13.1 -5.7 -21.3 88 88 A A H <45S+ 0 0 36 -3,-1.3 -2,-0.2 -4,-0.3 -1,-0.2 0.531 125.8 21.0-116.2 -16.3 -9.4 -6.1 -21.5 89 89 A A H <5S+ 0 0 0 -4,-1.1 -3,-0.2 -3,-0.3 -2,-0.2 0.721 126.2 41.6-116.6 -55.2 -8.9 -8.7 -18.7 90 90 A D T <5 + 0 0 4 -4,-1.3 -3,-0.2 -5,-0.3 -4,-0.1 0.996 58.4 161.6 -59.2 -72.6 -12.2 -10.4 -18.1 91 91 A H < + 0 0 159 -5,-1.1 -1,-0.1 1,-0.1 -4,-0.1 0.622 56.5 92.8 58.9 10.7 -13.4 -11.0 -21.6 92 92 A D S S- 0 0 80 4,-0.1 -1,-0.1 9,-0.0 -5,-0.1 0.559 95.9-121.9-106.3 -15.2 -15.7 -13.6 -20.0 93 93 A G S S+ 0 0 74 -7,-0.2 -6,-0.1 3,-0.0 -7,-0.0 0.913 79.6 113.6 74.2 43.9 -18.6 -11.3 -19.5 94 94 A D S S- 0 0 75 2,-0.1 3,-0.1 0, 0.0 -35,-0.0 0.530 77.3-126.2-117.8 -17.1 -18.9 -11.7 -15.8 95 95 A G S S+ 0 0 14 1,-0.2 -35,-1.0 -9,-0.1 2,-0.3 0.726 79.7 96.0 75.7 21.6 -18.0 -8.2 -14.6 96 96 A K E -A 59 0A 80 -37,-0.2 -37,-0.3 -10,-0.1 2,-0.2 -0.962 67.8-134.7-148.0 126.4 -15.2 -9.6 -12.4 97 97 A I E -A 58 0A 1 -39,-1.2 -39,-2.2 -2,-0.3 2,-0.2 -0.528 24.5-160.8 -80.0 144.7 -11.5 -9.9 -13.0 98 98 A G - 0 0 2 -41,-0.2 4,-0.3 -2,-0.2 3,-0.1 -0.667 33.5-108.5-119.6 175.9 -9.7 -13.1 -12.0 99 99 A A S S+ 0 0 24 -43,-0.4 4,-0.2 -2,-0.2 -42,-0.1 0.366 119.6 48.8 -84.0 5.3 -6.2 -14.3 -11.3 100 100 A E S S+ 0 0 140 2,-0.1 4,-0.2 3,-0.1 -1,-0.2 0.564 114.8 40.1-115.6 -19.6 -6.3 -16.3 -14.6 101 101 A E S S+ 0 0 16 -3,-0.1 4,-0.2 2,-0.1 -2,-0.2 0.236 106.3 67.9-112.9 9.7 -7.6 -13.5 -16.9 102 102 A F S >> S+ 0 0 5 -4,-0.3 3,-1.7 2,-0.1 4,-0.7 0.916 96.3 45.3 -91.8 -62.2 -5.5 -10.7 -15.4 103 103 A Q H >>>S+ 0 0 23 1,-0.3 3,-1.5 2,-0.2 4,-1.4 0.864 107.4 62.4 -50.3 -39.9 -1.9 -11.6 -16.3 104 104 A E H 3>5S+ 0 0 84 1,-0.3 4,-0.6 -4,-0.2 -1,-0.3 0.830 101.7 51.3 -56.3 -33.1 -3.1 -12.3 -19.8 105 105 A M H <45S+ 0 0 17 -3,-1.7 -1,-0.3 3,-0.2 -2,-0.2 0.639 112.6 49.5 -79.0 -15.0 -4.2 -8.6 -20.0 106 106 A V H <<5S+ 0 0 8 -3,-1.5 -70,-0.2 -4,-0.7 -2,-0.2 0.936 123.4 20.6 -85.3 -78.2 -0.7 -7.6 -18.8 107 107 A Q H <5 0 0 86 -4,-1.4 -3,-0.2 1,-0.2 -2,-0.1 0.852 360.0 360.0 -61.1 -35.4 1.9 -9.4 -20.9 108 108 A S << 0 0 127 -5,-0.7 -3,-0.2 -4,-0.6 -1,-0.2 0.355 360.0 360.0-118.0 360.0 -0.7 -10.0 -23.6