==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-JAN-00 1EE3 . COMPND 2 MOLECULE: PROTEIN (CARBOXYPEPTIDASE A); . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR F.JENSEN,T.BUKRINSKY,J.BJERRUM,S.LARSEN . 305 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12135.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 205 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 9.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 5.6 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 . 1 0.3 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 . 16 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 95 31.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1 0 0 1 0 2 0 0 0 1 1 0 0 1 0 2 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 0 1 1 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 PARALLEL BRIDGES PER LADDER . 0 0 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 P A 0 0 84 0, 0.0 6,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -93.0 26.9 16.4 8.9 2 2 P R + 0 0 233 1,-0.2 2,-0.3 22,-0.0 0, 0.0 0.641 360.0 19.0 -91.9 -13.7 25.9 19.6 7.0 3 3 P S S >> S- 0 0 29 1,-0.0 3,-1.7 25,-0.0 4,-0.8 -0.975 77.9-116.8-149.3 153.8 23.3 17.8 4.8 4 4 P T T 34 S+ 0 0 0 -2,-0.3 21,-0.0 1,-0.3 80,-0.0 0.648 118.6 63.5 -69.1 -8.3 21.5 14.5 5.0 5 5 P N T 34 S+ 0 0 118 1,-0.2 -1,-0.3 3,-0.0 79,-0.0 0.640 104.8 41.6 -86.6 -15.8 23.5 13.8 1.8 6 6 P T T <4 S+ 0 0 86 -3,-1.7 -2,-0.2 2,-0.1 -1,-0.2 0.448 87.5 115.6-107.0 -3.9 26.9 14.1 3.6 7 7 P F S < S- 0 0 16 -4,-0.8 2,-1.1 1,-0.1 3,-0.1 -0.439 72.4-122.3 -66.6 133.3 25.7 12.1 6.7 8 8 P N > + 0 0 88 1,-0.2 3,-0.7 -2,-0.2 -1,-0.1 -0.685 32.2 177.1 -84.1 100.8 27.6 8.9 7.0 9 9 P Y T 3 S+ 0 0 38 -2,-1.1 -1,-0.2 1,-0.2 72,-0.1 0.581 71.9 70.3 -77.5 -10.1 25.0 6.2 7.0 10 10 P A T 3 S+ 0 0 40 276,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.021 95.1 55.5 -98.1 27.2 27.6 3.5 7.2 11 11 P T S < S- 0 0 53 -3,-0.7 2,-0.3 66,-0.1 273,-0.0 -0.972 87.9 -97.1-150.5 160.5 28.7 4.1 10.8 12 12 P Y - 0 0 47 -2,-0.3 2,-0.2 1,-0.0 -2,-0.1 -0.611 40.5-158.0 -83.8 142.5 27.2 4.3 14.2 13 13 P H - 0 0 28 -2,-0.3 2,-0.1 60,-0.1 63,-0.0 -0.736 13.5-113.9-119.8 166.0 26.2 7.7 15.7 14 14 P T > - 0 0 52 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.406 38.9-100.1 -89.4 170.6 25.6 9.4 19.0 15 15 P L H > S+ 0 0 17 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.899 121.2 52.3 -58.4 -44.4 22.2 10.8 20.2 16 16 P D H > S+ 0 0 118 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.888 109.0 49.8 -61.0 -41.0 23.2 14.4 19.4 17 17 P E H > S+ 0 0 87 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.886 112.1 47.6 -66.6 -38.5 24.1 13.5 15.8 18 18 P I H X S+ 0 0 4 -4,-1.9 4,-1.7 2,-0.2 -2,-0.2 0.885 112.2 49.7 -70.2 -37.5 20.9 11.6 15.2 19 19 P Y H X S+ 0 0 23 -4,-2.5 4,-1.3 2,-0.2 -2,-0.2 0.870 111.3 48.8 -69.1 -35.4 18.9 14.5 16.7 20 20 P D H X S+ 0 0 100 -4,-2.2 4,-1.9 1,-0.2 -2,-0.2 0.894 106.1 58.4 -67.9 -39.9 20.7 16.9 14.4 21 21 P F H X S+ 0 0 1 -4,-2.1 4,-2.7 1,-0.2 -2,-0.2 0.893 101.7 55.4 -54.3 -43.9 20.0 14.6 11.5 22 22 P M H X S+ 0 0 2 -4,-1.7 4,-2.2 1,-0.2 -1,-0.2 0.918 107.5 47.8 -57.8 -46.3 16.3 14.9 12.2 23 23 P D H X S+ 0 0 76 -4,-1.3 4,-2.0 1,-0.2 -1,-0.2 0.845 111.2 51.6 -66.3 -32.1 16.4 18.7 12.0 24 24 P L H X S+ 0 0 40 -4,-1.9 4,-2.0 2,-0.2 -2,-0.2 0.934 109.4 49.8 -68.2 -45.8 18.4 18.5 8.7 25 25 P L H X S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 -2,-0.2 0.898 111.9 47.9 -60.0 -42.2 15.9 16.2 7.1 26 26 P V H < S+ 0 0 35 -4,-2.2 7,-0.2 1,-0.2 -1,-0.2 0.916 110.9 50.2 -67.4 -42.3 12.9 18.4 8.1 27 27 P A H < S+ 0 0 80 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.856 114.2 46.5 -63.3 -33.6 14.6 21.5 6.8 28 28 P E H < S+ 0 0 63 -4,-2.0 -1,-0.2 1,-0.2 -2,-0.2 0.744 126.6 25.9 -80.6 -26.0 15.4 19.7 3.5 29 29 P H >X + 0 0 55 -4,-1.6 4,-2.8 -5,-0.2 3,-2.4 -0.340 68.4 155.7-135.6 54.0 11.9 18.2 3.0 30 30 P P T 34 S+ 0 0 69 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.770 74.3 57.0 -51.7 -30.9 9.5 20.6 4.9 31 31 P Q T 34 S+ 0 0 168 1,-0.1 3,-0.1 -3,-0.1 -5,-0.1 0.513 120.3 26.9 -81.6 -4.3 6.6 19.5 2.7 32 32 P L T <4 S+ 0 0 22 -3,-2.4 21,-2.2 1,-0.3 2,-0.4 0.661 116.2 49.1-125.5 -35.7 7.0 15.8 3.6 33 33 P V E < +A 52 0A 3 -4,-2.8 2,-0.3 -7,-0.2 -1,-0.3 -0.897 51.5 172.3-118.3 141.8 8.6 15.5 7.0 34 34 P S E -A 51 0A 47 17,-1.6 17,-3.0 -2,-0.4 2,-0.5 -0.985 26.2-129.5-142.0 150.0 7.9 17.1 10.4 35 35 P K E -A 50 0A 59 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.893 23.1-171.3-105.6 126.5 9.3 16.5 13.8 36 36 P L E -A 49 0A 56 13,-3.0 13,-2.5 -2,-0.5 2,-0.7 -0.903 16.9-144.2-116.7 144.8 6.9 15.9 16.8 37 37 P Q E +A 48 0A 106 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.931 18.3 177.0-108.5 113.1 7.8 15.7 20.4 38 38 P I E - 0 0 30 9,-1.9 2,-0.3 -2,-0.7 10,-0.1 0.483 60.8 -42.3 -95.1 -2.2 5.6 13.2 22.1 39 39 P G E -A 47 0A 18 8,-0.8 8,-2.6 5,-0.0 2,-0.4 -0.986 58.8 -87.4 167.8-170.0 7.2 13.4 25.6 40 40 P R E -A 46 0A 147 -2,-0.3 138,-0.1 6,-0.2 5,-0.1 -0.979 37.0-119.3-132.1 143.4 10.4 13.6 27.6 41 41 P S > - 0 0 5 4,-3.1 3,-2.2 -2,-0.4 6,-0.1 -0.151 39.0 -92.1 -74.1 174.9 12.5 10.7 28.9 42 42 P Y T 3 S+ 0 0 118 1,-0.3 -1,-0.1 2,-0.1 90,-0.1 0.888 130.6 45.9 -55.5 -41.3 13.2 10.0 32.6 43 43 P E T 3 S- 0 0 97 2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.144 126.2-101.4 -91.1 21.0 16.3 12.1 32.4 44 44 P G S < S+ 0 0 25 -3,-2.2 -2,-0.1 1,-0.2 3,-0.0 0.524 71.1 146.3 77.2 8.9 14.5 14.9 30.5 45 45 P R - 0 0 73 1,-0.1 -4,-3.1 -5,-0.1 -1,-0.2 -0.540 55.2-105.4 -77.5 141.5 15.6 14.2 27.0 46 46 P P E -A 40 0A 36 0, 0.0 2,-0.7 0, 0.0 -6,-0.2 -0.415 24.3-139.7 -68.6 143.0 13.0 15.0 24.3 47 47 P I E -A 39 0A 0 -8,-2.6 -9,-1.9 -2,-0.1 -8,-0.8 -0.917 26.7-164.3-104.7 111.2 11.3 12.0 22.7 48 48 P Y E -A 37 0A 41 -2,-0.7 62,-0.4 62,-0.2 2,-0.4 -0.755 16.6-173.1-105.3 147.1 11.0 12.7 19.0 49 49 P V E -A 36 0A 0 -13,-2.5 -13,-3.0 -2,-0.3 2,-0.5 -0.981 19.0-138.6-131.2 138.8 8.9 11.1 16.2 50 50 P L E -AB 35 107A 1 57,-2.7 57,-2.6 -2,-0.4 2,-0.6 -0.876 14.1-154.1-100.9 132.0 9.2 11.9 12.5 51 51 P K E -AB 34 106A 64 -17,-3.0 -17,-1.6 -2,-0.5 2,-0.6 -0.932 5.2-165.4-109.7 121.4 5.9 12.2 10.6 52 52 P F E +AB 33 105A 0 53,-2.8 53,-2.1 -2,-0.6 2,-0.3 -0.938 27.8 147.1-106.0 121.7 6.0 11.5 6.9 53 53 P S - 0 0 18 -21,-2.2 51,-0.1 -2,-0.6 48,-0.1 -0.995 45.8-157.4-156.0 147.1 2.8 12.8 5.2 54 54 P T S S- 0 0 48 46,-0.6 2,-0.3 -2,-0.3 47,-0.1 0.352 71.1 -81.5-105.3 3.3 1.6 14.3 1.9 55 55 P G S S+ 0 0 29 -23,-0.1 4,-0.3 48,-0.0 -1,-0.3 -0.965 73.7 113.8 138.8-154.7 -1.4 15.8 3.5 56 56 P G - 0 0 61 -2,-0.3 2,-0.5 1,-0.1 46,-0.0 -0.097 67.3 -74.9 77.1-177.4 -5.0 14.9 4.6 57 57 P S S S- 0 0 112 1,-0.1 -1,-0.1 0, 0.0 0, 0.0 -0.943 97.5 -28.1-127.2 111.7 -6.4 14.8 8.1 58 58 P N S S- 0 0 79 -2,-0.5 -1,-0.1 1,-0.1 3,-0.1 0.930 83.7-170.6 50.4 51.0 -5.6 12.0 10.4 59 59 P R - 0 0 65 -4,-0.3 44,-0.1 1,-0.2 129,-0.1 -0.244 39.6 -74.9 -65.5 159.7 -5.0 9.6 7.5 60 60 P P - 0 0 45 0, 0.0 44,-2.1 0, 0.0 2,-0.3 -0.329 66.2-154.0 -55.8 140.0 -4.5 5.9 8.2 61 61 P A E -cd 104 189A 0 127,-2.2 129,-3.1 42,-0.2 130,-1.2 -0.822 21.8-142.0-127.5 163.6 -1.1 5.6 9.7 62 62 P I E -cd 105 191A 0 42,-2.0 44,-3.3 -2,-0.3 2,-0.4 -0.975 18.4-152.0-120.6 130.6 1.8 3.2 10.1 63 63 P W E +cd 106 192A 0 128,-2.3 130,-3.0 -2,-0.4 2,-0.4 -0.886 15.3 176.6-106.3 133.4 3.9 3.2 13.3 64 64 P I E +cd 107 193A 0 42,-2.3 44,-2.9 -2,-0.4 2,-0.4 -0.967 2.2 179.7-137.6 119.8 7.5 2.2 13.4 65 65 P D E -cd 108 194A 0 128,-2.4 130,-3.0 -2,-0.4 2,-0.3 -0.924 1.3-178.1-121.4 148.6 9.7 2.3 16.5 66 66 P L E + d 0 195A 0 42,-2.2 45,-2.0 -2,-0.4 46,-0.2 -0.928 57.2 31.9-137.5 160.2 13.3 1.3 16.9 67 67 P G + 0 0 0 128,-0.7 45,-0.7 -2,-0.3 49,-0.1 0.709 56.4 142.5 67.5 24.4 15.8 1.2 19.7 68 68 P I S S+ 0 0 2 127,-0.5 2,-0.7 1,-0.2 75,-0.3 0.828 78.1 51.1 -64.6 -27.7 13.5 0.4 22.6 69 69 P H S > S- 0 0 6 1,-0.1 3,-1.9 3,-0.1 -1,-0.2 -0.932 90.7-149.1-108.8 105.0 16.4 -1.8 23.8 70 70 P S T 3 S+ 0 0 0 57,-0.9 57,-0.2 -2,-0.7 -1,-0.1 0.718 86.0 59.7 -48.2 -37.3 19.3 0.6 23.7 71 71 P R T 3 S+ 0 0 38 55,-0.6 2,-2.0 1,-0.2 -1,-0.3 0.591 79.0 91.9 -73.6 -8.8 22.2 -1.8 23.0 72 72 P E X> + 0 0 6 -3,-1.9 3,-2.4 1,-0.2 4,-0.6 -0.383 52.3 167.3 -84.7 62.5 20.6 -2.9 19.7 73 73 P W H 3> + 0 0 32 -2,-2.0 4,-2.0 206,-0.3 5,-0.2 0.684 63.4 70.4 -49.7 -29.1 22.5 -0.2 17.7 74 74 P I H 3> S+ 0 0 2 205,-0.2 4,-1.6 1,-0.2 -1,-0.3 0.788 96.1 56.8 -64.3 -23.0 21.7 -1.7 14.3 75 75 P T H <> S+ 0 0 0 -3,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.943 107.2 43.2 -74.9 -47.1 18.0 -0.6 14.9 76 76 P Q H X S+ 0 0 2 -4,-0.6 4,-1.6 1,-0.2 -2,-0.2 0.885 115.0 52.1 -65.2 -34.8 18.7 3.1 15.4 77 77 P A H X S+ 0 0 15 -4,-2.0 4,-1.6 1,-0.2 -1,-0.2 0.879 110.3 48.0 -66.9 -37.7 21.1 3.0 12.5 78 78 P T H X S+ 0 0 0 -4,-1.6 4,-2.6 -5,-0.2 -1,-0.2 0.852 106.8 58.0 -70.3 -34.5 18.4 1.4 10.3 79 79 P G H X S+ 0 0 0 -4,-2.2 4,-2.2 2,-0.2 -2,-0.2 0.878 105.3 49.4 -63.3 -38.6 15.9 4.0 11.5 80 80 P V H X S+ 0 0 5 -4,-1.6 4,-1.8 2,-0.2 -1,-0.2 0.931 111.9 48.0 -66.1 -45.1 18.1 6.8 10.2 81 81 P W H X S+ 0 0 36 -4,-1.6 4,-3.0 1,-0.2 -2,-0.2 0.900 110.4 52.9 -62.1 -41.8 18.5 5.1 6.8 82 82 P F H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.936 106.2 53.2 -58.3 -48.9 14.8 4.5 6.7 83 83 P A H X S+ 0 0 0 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.896 113.8 41.8 -54.7 -44.5 14.1 8.2 7.3 84 84 P K H >X S+ 0 0 12 -4,-1.8 4,-1.5 1,-0.2 3,-0.6 0.936 111.3 56.8 -69.2 -45.8 16.3 9.3 4.4 85 85 P K H 3X S+ 0 0 44 -4,-3.0 4,-2.7 1,-0.2 5,-0.2 0.874 101.1 57.2 -53.1 -42.4 15.0 6.5 2.2 86 86 P F H 3X S+ 0 0 0 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.892 108.3 46.4 -58.3 -40.8 11.4 7.7 2.6 87 87 P T H << S+ 0 0 14 -4,-1.0 -1,-0.2 -3,-0.6 -2,-0.2 0.768 115.0 47.4 -74.3 -24.8 12.4 11.1 1.2 88 88 P E H < S+ 0 0 97 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.837 113.5 44.7 -84.4 -35.1 14.3 9.6 -1.7 89 89 P D H >X S+ 0 0 22 -4,-2.7 4,-2.8 -5,-0.2 3,-2.3 0.652 81.9 104.5 -86.9 -16.2 11.8 7.1 -2.9 90 90 P Y T 3< S+ 0 0 77 -4,-1.2 7,-0.0 1,-0.3 -4,-0.0 -0.537 98.1 11.9 -67.3 123.0 8.7 9.2 -2.8 91 91 P G T 34 S+ 0 0 52 2,-0.4 -1,-0.3 -2,-0.4 -2,-0.1 0.410 127.8 63.4 89.6 -2.4 8.0 10.0 -6.4 92 92 P Q T <4 S+ 0 0 149 -3,-2.3 -2,-0.2 1,-0.3 -3,-0.1 0.694 92.9 55.2-117.3 -47.9 10.5 7.4 -7.6 93 93 P D S X S- 0 0 50 -4,-2.8 4,-2.8 1,-0.2 -2,-0.4 -0.825 71.6-150.5 -95.0 115.9 9.2 4.1 -6.4 94 94 P P H > S+ 0 0 107 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.858 93.8 46.0 -50.4 -44.2 5.6 3.5 -7.6 95 95 P S H > S+ 0 0 37 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.950 115.3 43.4 -68.7 -50.2 4.6 1.4 -4.7 96 96 P F H > S+ 0 0 0 1,-0.2 4,-2.7 2,-0.2 5,-0.2 0.875 111.3 56.1 -64.2 -36.3 6.0 3.6 -1.9 97 97 P T H X S+ 0 0 24 -4,-2.8 4,-1.7 -8,-0.2 -1,-0.2 0.914 107.1 49.6 -61.5 -41.9 4.6 6.7 -3.6 98 98 P A H X S+ 0 0 52 -4,-1.7 4,-0.6 -5,-0.2 -1,-0.2 0.890 110.2 51.6 -64.0 -39.2 1.1 5.1 -3.6 99 99 P I H >X S+ 0 0 2 -4,-1.9 4,-2.4 1,-0.2 3,-1.6 0.977 112.1 43.7 -62.6 -53.9 1.5 4.3 0.1 100 100 P L H 3< S+ 0 0 0 -4,-2.7 -46,-0.6 1,-0.3 -1,-0.2 0.751 106.2 62.6 -64.1 -25.0 2.6 7.9 1.1 101 101 P D H 3< S+ 0 0 66 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.676 120.8 23.1 -73.7 -14.5 -0.1 9.4 -1.1 102 102 P S H << S+ 0 0 67 -3,-1.6 2,-0.3 -4,-0.6 -2,-0.2 0.556 123.3 41.9-124.8 -16.1 -2.8 7.7 1.1 103 103 P M < - 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