==== 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 14-MAR-00 1ELL . COMPND 2 MOLECULE: 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) . 12144.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 203 66.6 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 . 17 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 8.9 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 83 0, 0.0 6,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -98.2 26.9 16.5 8.9 2 2 P R + 0 0 231 1,-0.2 2,-0.3 22,-0.0 0, 0.0 0.659 360.0 18.9 -89.8 -14.6 25.9 19.6 7.0 3 3 P S S >> S- 0 0 30 1,-0.0 3,-1.7 25,-0.0 4,-1.0 -0.976 76.8-118.3-149.4 153.1 23.4 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 0.631 117.3 63.8 -70.4 -8.2 21.7 14.5 5.0 5 5 P N T 34 S+ 0 0 112 1,-0.2 -1,-0.3 3,-0.0 79,-0.0 0.625 106.3 40.1 -87.1 -14.1 23.6 13.8 1.8 6 6 P T T <4 S+ 0 0 88 -3,-1.7 -2,-0.2 2,-0.1 -1,-0.2 0.492 88.3 114.4-108.4 -8.0 26.9 14.1 3.6 7 7 P F S < S- 0 0 16 -4,-1.0 2,-1.0 1,-0.1 3,-0.1 -0.390 73.9-120.2 -63.4 135.8 25.8 12.2 6.7 8 8 P N > + 0 0 87 1,-0.2 3,-0.6 -2,-0.1 -1,-0.1 -0.715 32.8 177.3 -85.4 103.0 27.7 8.9 7.1 9 9 P Y T 3 S+ 0 0 37 -2,-1.0 -1,-0.2 1,-0.2 72,-0.1 0.544 72.6 69.5 -80.0 -8.3 25.0 6.2 7.0 10 10 P A T 3 S+ 0 0 41 276,-0.1 2,-0.3 -3,-0.1 -1,-0.2 -0.023 95.2 55.5-102.2 30.4 27.7 3.5 7.3 11 11 P T S < S- 0 0 52 -3,-0.6 2,-0.3 66,-0.1 0, 0.0 -0.973 87.9 -96.9-153.3 159.1 28.8 4.2 10.8 12 12 P Y - 0 0 45 -2,-0.3 2,-0.2 1,-0.0 -2,-0.1 -0.611 40.4-156.3 -83.6 141.9 27.2 4.3 14.3 13 13 P H - 0 0 29 -2,-0.3 2,-0.1 -4,-0.1 63,-0.0 -0.727 13.1-114.3-118.3 164.9 26.2 7.7 15.7 14 14 P T > - 0 0 50 -2,-0.2 4,-1.9 1,-0.1 5,-0.2 -0.398 39.1-101.0 -87.5 171.1 25.6 9.4 19.0 15 15 P L H > S+ 0 0 16 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.887 121.5 52.6 -60.3 -42.0 22.3 10.8 20.2 16 16 P D H > S+ 0 0 117 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.896 108.4 49.7 -62.8 -41.4 23.2 14.4 19.4 17 17 P E H > S+ 0 0 88 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.881 112.4 47.8 -65.9 -38.1 24.2 13.5 15.8 18 18 P I H X S+ 0 0 4 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.879 112.0 49.1 -70.5 -37.6 20.9 11.6 15.3 19 19 P Y H X S+ 0 0 25 -4,-2.4 4,-1.3 2,-0.2 -2,-0.2 0.863 111.7 49.4 -69.7 -34.1 18.9 14.5 16.7 20 20 P D H X S+ 0 0 101 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.910 105.9 57.9 -68.1 -41.7 20.8 16.9 14.5 21 21 P F H X S+ 0 0 1 -4,-2.2 4,-2.5 1,-0.2 -2,-0.2 0.882 101.8 55.7 -53.6 -43.0 20.1 14.6 11.5 22 22 P M H X S+ 0 0 2 -4,-1.6 4,-2.1 1,-0.2 -1,-0.2 0.912 107.4 47.6 -58.8 -45.7 16.3 15.0 12.2 23 23 P D H X S+ 0 0 76 -4,-1.3 4,-2.2 1,-0.2 -1,-0.2 0.878 111.0 51.9 -65.4 -36.6 16.4 18.7 12.0 24 24 P L H X S+ 0 0 41 -4,-2.0 4,-1.8 1,-0.2 -2,-0.2 0.920 109.4 49.8 -64.4 -44.0 18.5 18.6 8.7 25 25 P L H X S+ 0 0 0 -4,-2.5 4,-1.5 1,-0.2 -2,-0.2 0.889 111.8 47.5 -62.7 -41.0 15.9 16.2 7.2 26 26 P V H < S+ 0 0 35 -4,-2.1 7,-0.2 2,-0.2 -1,-0.2 0.902 110.7 51.1 -68.3 -41.6 13.0 18.4 8.1 27 27 P A H < S+ 0 0 80 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.847 113.6 46.6 -63.8 -32.9 14.7 21.6 6.8 28 28 P E H < S+ 0 0 66 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.749 126.6 26.0 -80.7 -26.5 15.4 19.8 3.5 29 29 P H >X + 0 0 54 -4,-1.5 4,-2.8 -5,-0.1 3,-2.3 -0.363 67.5 156.1-135.9 56.3 11.9 18.3 3.1 30 30 P P T 34 S+ 0 0 71 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.748 75.5 56.1 -53.9 -27.6 9.5 20.7 4.9 31 31 P Q T 34 S+ 0 0 169 1,-0.1 3,-0.1 -3,-0.1 -5,-0.1 0.477 120.0 27.6 -86.1 -2.0 6.6 19.6 2.8 32 32 P L T <4 S+ 0 0 20 -3,-2.3 21,-2.3 1,-0.3 2,-0.4 0.640 116.0 49.1-126.9 -33.7 7.0 15.9 3.6 33 33 P V E < +A 52 0A 3 -4,-2.8 2,-0.3 -7,-0.2 -1,-0.3 -0.921 51.2 175.0-120.6 139.4 8.6 15.6 7.0 34 34 P S E -A 51 0A 47 17,-1.7 17,-2.8 -2,-0.4 2,-0.5 -0.978 25.2-131.7-136.4 149.1 7.8 17.2 10.4 35 35 P K E -A 50 0A 60 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.910 23.7-170.8-105.6 125.2 9.4 16.5 13.8 36 36 P L E -A 49 0A 56 13,-3.1 13,-2.7 -2,-0.5 2,-0.6 -0.903 16.6-145.5-116.2 143.0 7.0 15.9 16.7 37 37 P Q E +A 48 0A 104 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.935 17.3 177.6-107.0 116.9 7.9 15.7 20.4 38 38 P I E - 0 0 31 9,-1.9 2,-0.3 -2,-0.6 10,-0.1 0.465 60.7 -42.6 -99.1 -1.1 5.7 13.3 22.2 39 39 P G E -A 47 0A 19 8,-0.7 8,-2.5 5,-0.0 2,-0.3 -0.982 60.1 -86.6 167.0-169.1 7.2 13.5 25.6 40 40 P R E -A 46 0A 152 -2,-0.3 138,-0.1 6,-0.2 5,-0.1 -0.983 37.0-118.7-132.1 142.4 10.4 13.6 27.7 41 41 P S > - 0 0 5 4,-3.2 3,-2.2 -2,-0.3 6,-0.1 -0.138 40.0 -92.0 -71.6 174.5 12.5 10.7 28.9 42 42 P Y T 3 S+ 0 0 116 1,-0.3 -1,-0.1 2,-0.1 90,-0.1 0.883 130.5 46.7 -55.4 -41.1 13.2 10.0 32.6 43 43 P E T 3 S- 0 0 95 2,-0.1 -1,-0.3 1,-0.0 -2,-0.1 0.121 126.1-101.2 -90.8 22.0 16.4 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 0.498 71.4 146.0 77.1 6.9 14.6 14.9 30.6 45 45 P R - 0 0 74 1,-0.1 -4,-3.2 -5,-0.1 -1,-0.2 -0.536 55.2-106.0 -76.7 140.9 15.7 14.2 27.0 46 46 P P E -A 40 0A 37 0, 0.0 2,-0.7 0, 0.0 -6,-0.2 -0.418 24.6-139.9 -68.7 141.1 13.1 15.0 24.3 47 47 P I E -A 39 0A 0 -8,-2.5 -9,-1.9 -2,-0.1 -8,-0.7 -0.911 26.0-162.8-103.4 114.8 11.4 12.0 22.7 48 48 P Y E -A 37 0A 41 -2,-0.7 62,-0.4 62,-0.3 2,-0.4 -0.767 16.9-173.1-107.4 146.8 11.0 12.7 19.0 49 49 P V E -A 36 0A 0 -13,-2.7 -13,-3.1 -2,-0.3 2,-0.5 -0.986 18.5-140.0-131.3 137.8 8.9 11.1 16.3 50 50 P L E -AB 35 107A 1 57,-2.8 57,-2.9 -2,-0.4 2,-0.5 -0.888 14.0-155.0-101.2 130.7 9.2 11.9 12.6 51 51 P K E -AB 34 106A 64 -17,-2.8 -17,-1.7 -2,-0.5 2,-0.6 -0.933 4.4-164.5-109.4 121.3 5.9 12.2 10.6 52 52 P F E +AB 33 105A 0 53,-2.9 53,-2.2 -2,-0.5 2,-0.3 -0.928 27.7 147.0-105.6 121.4 6.0 11.6 6.9 53 53 P S - 0 0 19 -21,-2.3 51,-0.1 -2,-0.6 48,-0.1 -0.994 47.1-156.3-156.9 147.0 2.9 12.8 5.1 54 54 P T S S- 0 0 48 46,-0.7 2,-0.3 -2,-0.3 47,-0.1 0.377 71.2 -85.8-102.2 2.6 1.7 14.3 1.9 55 55 P G S S+ 0 0 28 -23,-0.1 4,-0.3 1,-0.0 -1,-0.3 -0.968 71.9 119.1 136.9-151.4 -1.4 15.9 3.6 56 56 P G - 0 0 61 -2,-0.3 2,-0.5 -3,-0.1 -1,-0.0 -0.030 66.3 -77.1 75.2 178.5 -4.9 15.0 4.6 57 57 P S S S- 0 0 111 1,-0.1 -1,-0.1 0, 0.0 0, 0.0 -0.957 97.8 -26.4-123.5 114.7 -6.4 14.9 8.1 58 58 P N S S- 0 0 81 -2,-0.5 -1,-0.1 1,-0.1 3,-0.1 0.902 83.7-171.9 50.2 47.7 -5.6 12.0 10.4 59 59 P R - 0 0 69 -4,-0.3 44,-0.1 1,-0.2 45,-0.1 -0.233 40.7 -74.1 -63.9 158.8 -5.0 9.7 7.4 60 60 P P - 0 0 45 0, 0.0 44,-2.1 0, 0.0 2,-0.3 -0.305 65.7-151.4 -54.6 137.9 -4.5 5.9 8.2 61 61 P A E -cd 104 189A 0 127,-2.2 129,-3.2 42,-0.2 130,-1.2 -0.790 21.1-145.2-123.3 163.1 -1.1 5.6 9.7 62 62 P I E -cd 105 191A 0 42,-1.9 44,-3.2 -2,-0.3 2,-0.4 -0.989 17.9-152.5-123.2 126.3 1.8 3.2 10.2 63 63 P W E +cd 106 192A 0 128,-2.7 130,-3.0 -2,-0.4 2,-0.4 -0.851 15.3 176.3-103.0 134.1 3.9 3.3 13.3 64 64 P I E +cd 107 193A 0 42,-2.4 44,-2.9 -2,-0.4 2,-0.4 -0.961 2.0 178.7-138.3 119.0 7.5 2.2 13.4 65 65 P D E -cd 108 194A 0 128,-2.4 130,-2.8 -2,-0.4 2,-0.3 -0.920 1.6-177.9-120.9 148.9 9.7 2.4 16.5 66 66 P L E + d 0 195A 0 42,-2.4 45,-2.0 -2,-0.4 46,-0.2 -0.909 57.0 33.4-136.8 162.4 13.3 1.3 16.9 67 67 P G + 0 0 0 128,-0.6 45,-0.7 -2,-0.3 49,-0.1 0.696 55.8 142.4 67.1 23.1 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 0.850 78.2 51.1 -63.2 -29.9 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 -0.927 90.6-149.6-106.8 105.2 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 0.710 86.0 59.8 -49.1 -36.3 19.3 0.7 23.7 71 71 P R T 3 S+ 0 0 40 55,-0.5 2,-1.9 1,-0.2 -1,-0.3 0.585 79.1 92.2 -73.9 -8.9 22.2 -1.7 23.0 72 72 P E X> + 0 0 4 -3,-1.9 3,-2.3 1,-0.2 4,-0.6 -0.376 52.4 166.9 -84.3 60.8 20.6 -2.9 19.8 73 73 P W H 3> + 0 0 33 -2,-1.9 4,-2.0 206,-0.3 5,-0.2 0.689 62.6 70.5 -47.6 -32.1 22.5 -0.2 17.8 74 74 P I H 3> S+ 0 0 2 205,-0.2 4,-1.7 1,-0.2 -1,-0.3 0.804 96.6 56.6 -61.4 -25.2 21.7 -1.7 14.3 75 75 P T H <> S+ 0 0 0 -3,-2.3 4,-2.4 2,-0.2 -1,-0.2 0.959 106.3 44.1 -72.7 -51.1 18.1 -0.6 14.9 76 76 P Q H X S+ 0 0 2 -4,-0.6 4,-1.7 1,-0.2 -2,-0.2 0.885 115.4 51.3 -61.6 -34.9 18.7 3.1 15.5 77 77 P A H X S+ 0 0 15 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.885 110.3 48.1 -67.9 -38.6 21.2 3.1 12.5 78 78 P T H X S+ 0 0 0 -4,-1.7 4,-2.6 -5,-0.2 -1,-0.2 0.850 107.4 57.7 -68.8 -34.0 18.5 1.4 10.3 79 79 P G H X S+ 0 0 0 -4,-2.4 4,-2.1 2,-0.2 -2,-0.2 0.889 105.3 49.0 -64.0 -39.7 16.0 4.0 11.5 80 80 P V H X S+ 0 0 5 -4,-1.7 4,-1.7 2,-0.2 -1,-0.2 0.923 111.9 49.0 -65.8 -42.6 18.2 6.9 10.3 81 81 P W H X S+ 0 0 35 -4,-1.7 4,-2.9 1,-0.2 -2,-0.2 0.908 109.3 53.0 -63.0 -43.1 18.6 5.1 6.9 82 82 P F H X S+ 0 0 0 -4,-2.6 4,-2.6 1,-0.2 -1,-0.2 0.919 105.8 54.2 -56.8 -47.3 14.8 4.6 6.7 83 83 P A H X S+ 0 0 0 -4,-2.1 4,-1.1 1,-0.2 -1,-0.2 0.901 113.0 41.8 -55.2 -46.2 14.1 8.3 7.3 84 84 P K H X S+ 0 0 15 -4,-1.7 4,-1.6 1,-0.2 3,-0.4 0.927 111.5 56.5 -68.4 -44.3 16.4 9.3 4.4 85 85 P K H X S+ 0 0 44 -4,-2.9 4,-2.7 1,-0.2 5,-0.3 0.889 101.0 57.2 -54.9 -43.3 15.1 6.5 2.2 86 86 P F H X S+ 0 0 0 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.898 108.1 47.4 -56.4 -41.7 11.5 7.7 2.6 87 87 P T H < S+ 0 0 14 -4,-1.1 -1,-0.2 -3,-0.4 -2,-0.2 0.799 114.9 45.6 -71.9 -28.2 12.5 11.1 1.2 88 88 P E H < S+ 0 0 99 -4,-1.6 -2,-0.2 -3,-0.2 -1,-0.2 0.833 113.9 45.9 -84.3 -33.3 14.4 9.7 -1.7 89 89 P D H >X S+ 0 0 24 -4,-2.7 4,-3.0 -5,-0.2 3,-2.2 0.683 82.2 102.3 -86.3 -17.2 11.9 7.1 -2.9 90 90 P Y T 3< S+ 0 0 76 -4,-1.2 5,-0.0 1,-0.3 7,-0.0 -0.539 98.7 12.7 -67.9 123.1 8.7 9.2 -2.8 91 91 P G T 34 S+ 0 0 50 -2,-0.4 -1,-0.3 2,-0.4 -2,-0.1 0.354 128.5 61.4 91.5 -5.9 8.0 10.1 -6.4 92 92 P Q T <4 S+ 0 0 146 -3,-2.2 -2,-0.2 1,-0.3 -3,-0.1 0.710 93.3 57.1-115.8 -48.1 10.6 7.5 -7.6 93 93 P D S X S- 0 0 46 -4,-3.0 4,-3.0 1,-0.2 -2,-0.4 -0.802 71.3-151.6 -94.1 109.8 9.3 4.2 -6.4 94 94 P P H > S+ 0 0 110 0, 0.0 4,-1.7 0, 0.0 -1,-0.2 0.833 94.0 44.7 -44.6 -46.4 5.7 3.6 -7.7 95 95 P S H > S+ 0 0 38 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.940 115.4 44.2 -69.9 -48.7 4.7 1.4 -4.7 96 96 P F H > S+ 0 0 0 1,-0.2 4,-2.4 2,-0.2 5,-0.2 0.879 111.5 55.9 -65.2 -35.4 6.1 3.6 -2.0 97 97 P T H X S+ 0 0 24 -4,-3.0 4,-1.8 -8,-0.3 -1,-0.2 0.930 105.9 50.5 -61.5 -44.8 4.7 6.7 -3.6 98 98 P A H X S+ 0 0 52 -4,-1.7 4,-0.6 -5,-0.3 -1,-0.2 0.886 109.6 52.2 -60.2 -40.6 1.2 5.2 -3.6 99 99 P I H >X S+ 0 0 2 -4,-1.8 4,-2.4 1,-0.2 3,-1.5 0.966 111.3 44.1 -61.2 -54.1 1.5 4.4 0.1 100 100 P L H 3< S+ 0 0 0 -4,-2.4 -46,-0.7 1,-0.3 -1,-0.2 0.753 106.0 62.5 -63.7 -25.8 2.6 7.9 1.1 101 101 P D H 3< S+ 0 0 68 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.666 121.0 23.3 -73.5 -14.6 -0.1 9.5 -1.1 102 102 P S H << S+ 0 0 67 -3,-1.5 2,-0.3 -4,-0.6 -2,-0.2 0.550 123.1 42.1-124.9 -16.3 -2.7 7.7 1.1 103 103 P M < - 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