==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 29-SEP-07 2RFH . COMPND 2 MOLECULE: CARBOXYPEPTIDASE A1; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR S.-F.WANG,Z.-H.ZENG . 307 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12158.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 69.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 29 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 5.5 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 . 22 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.0 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 1 0 0 1 0 2 0 0 0 1 1 0 0 1 0 1 1 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 A A 0 0 84 0, 0.0 6,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 -84.9 27.1 16.7 8.5 2 2 A R + 0 0 228 1,-0.1 2,-0.3 22,-0.0 0, 0.0 0.512 360.0 29.6-111.1 -13.0 25.2 19.7 7.0 3 3 A S S >> S- 0 0 36 1,-0.0 4,-1.1 25,-0.0 3,-0.8 -0.953 82.3-110.2-139.5 162.5 22.7 17.9 4.7 4 4 A T T 34 S+ 0 0 1 -2,-0.3 21,-0.0 1,-0.2 80,-0.0 0.630 120.0 56.4 -68.3 -13.3 21.0 14.5 4.7 5 5 A N T 34 S+ 0 0 123 1,-0.1 -1,-0.2 3,-0.1 4,-0.1 0.679 108.4 45.0 -89.3 -19.7 23.2 13.7 1.7 6 6 A T T <4 S+ 0 0 84 -3,-0.8 -2,-0.2 2,-0.1 -1,-0.1 0.565 88.8 108.4 -94.3 -10.1 26.4 14.4 3.6 7 7 A F S < S- 0 0 21 -4,-1.1 2,-1.0 1,-0.1 3,-0.1 -0.415 78.7-121.3 -61.7 133.8 25.1 12.5 6.6 8 8 A N > + 0 0 88 1,-0.2 3,-0.8 -2,-0.1 -1,-0.1 -0.734 32.2 178.0 -85.3 103.4 27.1 9.2 6.9 9 9 A Y T 3 S+ 0 0 36 -2,-1.0 -1,-0.2 1,-0.2 72,-0.1 0.607 75.1 67.0 -76.5 -12.7 24.5 6.4 6.7 10 10 A A T 3 S+ 0 0 50 276,-0.1 2,-0.3 -3,-0.1 -1,-0.2 0.092 95.5 62.3 -98.8 21.8 27.3 3.7 6.9 11 11 A T S < S- 0 0 54 -3,-0.8 2,-0.3 66,-0.1 0, 0.0 -0.963 86.5-104.7-138.9 155.9 28.3 4.5 10.5 12 12 A Y - 0 0 42 -2,-0.3 2,-0.2 1,-0.0 -2,-0.1 -0.612 40.1-151.1 -81.3 145.1 26.5 4.4 13.9 13 13 A H - 0 0 28 -2,-0.3 2,-0.1 60,-0.2 64,-0.1 -0.707 10.5-115.4-119.1 162.5 25.4 7.7 15.4 14 14 A T > - 0 0 50 -2,-0.2 4,-2.2 1,-0.1 5,-0.2 -0.416 38.8-103.0 -84.1 167.7 24.8 9.3 18.8 15 15 A L H > S+ 0 0 14 1,-0.2 4,-2.8 2,-0.2 5,-0.2 0.941 122.6 49.9 -53.9 -50.2 21.4 10.5 20.0 16 16 A D H > S+ 0 0 127 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.871 109.2 51.7 -61.7 -38.1 22.3 14.1 19.2 17 17 A E H > S+ 0 0 88 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.874 112.0 46.0 -64.7 -40.3 23.4 13.3 15.7 18 18 A I H X S+ 0 0 2 -4,-2.2 4,-1.8 2,-0.2 -2,-0.2 0.923 112.6 50.3 -67.3 -45.0 20.2 11.4 15.0 19 19 A Y H X S+ 0 0 19 -4,-2.8 4,-1.5 2,-0.2 -2,-0.2 0.888 111.1 49.8 -59.5 -38.4 18.1 14.3 16.5 20 20 A D H X S+ 0 0 79 -4,-2.3 4,-2.5 -5,-0.2 5,-0.2 0.948 105.5 56.8 -65.7 -47.0 20.0 16.7 14.3 21 21 A F H X S+ 0 0 2 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.869 103.3 55.0 -48.7 -43.7 19.4 14.5 11.2 22 22 A M H X S+ 0 0 1 -4,-1.8 4,-2.2 2,-0.2 -1,-0.2 0.927 108.0 47.4 -58.2 -50.0 15.6 14.8 11.9 23 23 A D H X S+ 0 0 71 -4,-1.5 4,-2.4 1,-0.2 -1,-0.2 0.885 112.7 50.5 -58.3 -43.4 15.7 18.7 11.9 24 24 A L H X S+ 0 0 40 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.914 110.3 48.2 -63.3 -40.6 17.8 18.6 8.7 25 25 A L H X S+ 0 0 0 -4,-2.4 4,-1.9 2,-0.2 -2,-0.2 0.891 111.8 49.5 -69.0 -39.8 15.3 16.2 6.9 26 26 A V H < S+ 0 0 37 -4,-2.2 -1,-0.2 2,-0.2 7,-0.2 0.916 111.3 50.4 -60.1 -46.4 12.4 18.4 8.0 27 27 A A H < S+ 0 0 73 -4,-2.4 -2,-0.2 1,-0.2 -1,-0.2 0.900 115.1 43.0 -58.3 -42.0 14.2 21.5 6.7 28 28 A E H < S+ 0 0 69 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.777 125.4 32.1 -77.9 -28.6 14.9 19.8 3.3 29 29 A H >X + 0 0 55 -4,-1.9 4,-2.7 -5,-0.2 3,-2.0 -0.381 66.1 152.9-127.6 58.0 11.5 18.3 2.9 30 30 A P T 34 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.680 73.0 57.5 -67.3 -16.4 9.0 20.6 4.5 31 31 A Q T 34 S+ 0 0 192 -3,-0.1 3,-0.1 1,-0.1 -5,-0.1 0.459 121.4 25.1 -88.4 -5.5 6.1 19.5 2.2 32 32 A L T <4 S+ 0 0 15 -3,-2.0 21,-2.8 1,-0.3 2,-0.4 0.659 114.9 51.1-125.8 -40.2 6.4 15.9 3.3 33 33 A V E < +A 52 0A 4 -4,-2.7 2,-0.3 19,-0.2 -1,-0.3 -0.912 48.2 173.1-121.6 134.5 8.0 15.6 6.8 34 34 A S E -A 51 0A 47 17,-2.2 17,-2.9 -2,-0.4 2,-0.5 -0.925 27.4-127.9-129.7 155.2 7.3 17.1 10.2 35 35 A K E -A 50 0A 59 -2,-0.3 2,-0.4 15,-0.2 15,-0.2 -0.938 24.0-166.8-109.7 124.1 8.8 16.4 13.6 36 36 A L E -A 49 0A 50 13,-3.2 13,-3.0 -2,-0.5 2,-0.7 -0.886 16.1-145.5-113.0 139.3 6.5 15.7 16.5 37 37 A Q E +A 48 0A 94 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.913 19.2 176.9-103.0 108.3 7.4 15.6 20.1 38 38 A I E - 0 0 27 9,-2.1 2,-0.3 -2,-0.7 10,-0.1 0.444 61.1 -46.8 -93.2 1.0 5.2 13.0 21.7 39 39 A G E -A 47 0A 22 8,-0.7 8,-2.4 5,-0.0 2,-0.4 -0.980 58.8 -88.6 161.6-174.5 6.6 13.2 25.2 40 40 A R E -A 46 0A 155 -2,-0.3 138,-0.1 6,-0.2 5,-0.0 -0.991 40.7-114.4-130.0 144.5 9.9 13.4 27.2 41 41 A S > - 0 0 7 4,-3.1 3,-2.1 -2,-0.4 6,-0.1 0.031 39.8 -90.1 -66.3 175.3 11.8 10.4 28.5 42 42 A Y T 3 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.1 90,-0.0 0.932 133.1 45.7 -51.7 -46.4 12.3 9.5 32.2 43 43 A E T 3 S- 0 0 97 1,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.276 126.3-102.3 -85.2 13.3 15.5 11.6 32.1 44 44 A G < + 0 0 41 -3,-2.1 -2,-0.1 1,-0.3 -1,-0.1 0.592 69.8 146.9 81.2 14.5 13.7 14.5 30.2 45 45 A R - 0 0 72 1,-0.1 -4,-3.1 -5,-0.0 -1,-0.3 -0.647 56.1-103.8 -78.1 138.8 15.0 13.9 26.7 46 46 A P E -A 40 0A 34 0, 0.0 2,-0.6 0, 0.0 -6,-0.2 -0.294 27.2-140.9 -61.8 142.1 12.4 14.8 23.9 47 47 A I E -A 39 0A 0 -8,-2.4 -9,-2.1 -6,-0.1 -8,-0.7 -0.957 24.7-158.9-107.8 117.0 10.8 11.8 22.3 48 48 A Y E -A 37 0A 33 -2,-0.6 2,-0.4 62,-0.2 62,-0.4 -0.818 17.9-172.6-113.5 136.2 10.5 12.5 18.6 49 49 A V E -A 36 0A 0 -13,-3.0 -13,-3.2 -2,-0.4 2,-0.6 -0.990 19.2-140.9-120.5 128.5 8.2 11.0 15.9 50 50 A L E -AB 35 107A 0 57,-3.2 57,-2.7 -2,-0.4 2,-0.6 -0.804 15.6-153.8 -88.4 122.0 8.7 11.9 12.2 51 51 A K E -AB 34 106A 55 -17,-2.9 -17,-2.2 -2,-0.6 2,-0.6 -0.889 5.9-164.7 -97.3 123.1 5.4 12.3 10.4 52 52 A F E +AB 33 105A 0 53,-3.3 53,-2.2 -2,-0.6 2,-0.3 -0.944 29.7 145.9-105.8 116.8 5.5 11.6 6.6 53 53 A S - 0 0 15 -21,-2.8 51,-0.1 -2,-0.6 48,-0.1 -0.999 45.5-161.4-154.9 143.9 2.3 13.0 5.1 54 54 A T S S- 0 0 44 46,-0.6 2,-0.3 -2,-0.3 50,-0.1 0.288 73.9 -66.9-108.8 6.5 1.2 14.7 1.9 55 55 A G + 0 0 28 -23,-0.1 -1,-0.3 1,-0.1 4,-0.3 -0.960 68.9 92.1 144.9-160.7 -2.0 16.1 3.5 56 56 A G - 0 0 47 -2,-0.3 2,-0.1 1,-0.1 -1,-0.1 -0.000 60.2 -49.1 71.3 174.9 -5.4 15.3 5.2 57 57 A S S S- 0 0 101 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.979 98.6 -44.3 122.2 9.9 -7.5 14.7 7.3 58 58 A N S S- 0 0 85 1,-0.1 3,-0.1 -2,-0.1 -2,-0.1 0.929 78.6-161.8 58.0 47.2 -6.6 11.9 9.9 59 59 A R - 0 0 56 -4,-0.3 45,-0.2 1,-0.1 44,-0.2 -0.241 29.3 -88.1 -59.7 146.7 -5.4 9.7 7.1 60 60 A P - 0 0 43 0, 0.0 44,-1.9 0, 0.0 2,-0.3 -0.292 62.0-150.7 -53.2 142.6 -5.0 5.9 7.7 61 61 A A E -cd 104 189A 0 127,-1.9 129,-3.1 42,-0.2 130,-1.4 -0.868 25.7-142.9-134.6 156.9 -1.6 5.5 9.1 62 62 A I E -cd 105 191A 0 42,-2.3 44,-3.1 -2,-0.3 2,-0.4 -0.952 19.3-156.1-111.8 127.2 1.4 3.3 9.5 63 63 A W E +cd 106 192A 0 128,-2.3 130,-3.1 -2,-0.5 2,-0.4 -0.902 12.6 178.8-100.4 135.5 3.3 3.3 12.8 64 64 A I E -cd 107 193A 0 42,-2.4 44,-3.1 -2,-0.4 2,-0.4 -0.975 3.1-174.6-135.2 121.8 7.0 2.2 12.9 65 65 A D E -cd 108 194A 0 128,-2.7 130,-3.2 -2,-0.4 2,-0.3 -0.937 3.9-179.2-115.0 140.7 9.1 2.2 16.1 66 66 A L E + d 0 195A 0 42,-2.7 45,-2.4 -2,-0.4 46,-0.2 -0.904 58.1 26.6-129.9 159.2 12.8 1.4 16.4 67 67 A G + 0 0 0 128,-0.7 45,-1.0 -2,-0.3 49,-0.1 0.713 59.1 142.0 63.2 27.6 15.3 1.2 19.2 68 68 A I S S+ 0 0 1 127,-0.5 2,-0.6 43,-0.2 75,-0.3 0.869 77.6 51.6 -63.7 -31.9 12.9 0.4 22.1 69 69 A H S > S- 0 0 6 1,-0.1 3,-1.7 3,-0.1 -1,-0.2 -0.933 90.4-148.8-103.1 116.1 15.7 -1.8 23.3 70 70 A S T 3 S+ 0 0 0 57,-1.1 57,-0.2 -2,-0.6 6,-0.1 0.784 87.1 58.3 -67.2 -33.5 18.7 0.5 23.3 71 71 A R T 3 S+ 0 0 36 55,-0.9 2,-2.1 1,-0.2 -1,-0.3 0.545 78.7 94.3 -70.0 -9.3 21.5 -1.9 22.5 72 72 A E X> + 0 0 5 -3,-1.7 3,-2.3 1,-0.2 4,-0.6 -0.396 51.8 167.2 -87.0 62.6 19.9 -2.9 19.2 73 73 A W H 3> + 0 0 33 -2,-2.1 4,-2.0 206,-0.3 5,-0.2 0.717 63.8 68.1 -53.4 -33.4 21.9 -0.3 17.3 74 74 A I H 3> S+ 0 0 0 205,-0.3 4,-2.2 -3,-0.2 -1,-0.3 0.833 97.3 57.5 -57.1 -30.1 21.1 -1.7 13.9 75 75 A T H <> S+ 0 0 0 -3,-2.3 4,-2.7 2,-0.2 -1,-0.2 0.960 106.7 42.8 -69.8 -51.2 17.5 -0.5 14.5 76 76 A Q H X S+ 0 0 1 -4,-0.6 4,-2.0 2,-0.2 -1,-0.2 0.903 115.8 51.5 -61.1 -38.1 18.2 3.2 15.1 77 77 A A H X S+ 0 0 13 -4,-2.0 4,-1.8 1,-0.2 -1,-0.2 0.894 111.4 47.2 -62.8 -41.2 20.6 3.1 12.1 78 78 A T H X S+ 0 0 0 -4,-2.2 4,-3.1 -5,-0.2 -2,-0.2 0.892 107.2 57.7 -67.3 -38.3 18.0 1.5 10.0 79 79 A G H X S+ 0 0 0 -4,-2.7 4,-2.6 2,-0.2 -2,-0.2 0.907 106.2 48.5 -58.7 -43.8 15.4 4.1 11.2 80 80 A V H X S+ 0 0 4 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.941 113.2 47.9 -60.9 -45.1 17.6 7.0 9.9 81 81 A W H X S+ 0 0 23 -4,-1.8 4,-2.7 1,-0.2 -2,-0.2 0.913 110.6 51.8 -65.1 -41.1 18.0 5.2 6.6 82 82 A F H X S+ 0 0 0 -4,-3.1 4,-2.5 2,-0.2 -1,-0.2 0.925 107.2 52.8 -59.1 -46.1 14.2 4.6 6.4 83 83 A A H X S+ 0 0 0 -4,-2.6 4,-1.2 1,-0.2 -1,-0.2 0.929 113.3 43.4 -59.5 -45.7 13.5 8.3 7.1 84 84 A K H X S+ 0 0 13 -4,-2.2 4,-1.7 1,-0.2 3,-0.4 0.923 110.7 55.3 -63.1 -45.4 15.8 9.3 4.2 85 85 A K H X S+ 0 0 40 -4,-2.7 4,-2.7 1,-0.2 5,-0.3 0.860 101.8 57.7 -58.6 -37.6 14.5 6.6 1.9 86 86 A F H X S+ 0 0 0 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.909 109.4 44.8 -61.9 -40.2 10.9 7.9 2.4 87 87 A T H < S+ 0 0 12 -4,-1.2 -1,-0.2 -3,-0.4 -2,-0.2 0.757 115.2 50.4 -74.8 -26.1 11.9 11.3 1.1 88 88 A E H < S+ 0 0 82 -4,-1.7 -2,-0.2 -5,-0.1 -1,-0.2 0.914 115.6 37.8 -72.6 -46.7 13.9 9.6 -1.8 89 89 A D H >X S+ 0 0 28 -4,-2.7 4,-2.5 3,-0.1 3,-2.0 0.685 87.0 101.3 -89.1 -21.0 11.2 7.3 -3.1 90 90 A Y T 3< S+ 0 0 69 -4,-1.6 7,-0.0 -5,-0.3 -58,-0.0 -0.555 99.8 14.8 -63.1 119.0 8.2 9.6 -2.7 91 91 A G T 34 S+ 0 0 48 -2,-0.5 -1,-0.3 2,-0.4 -2,-0.1 0.168 129.1 60.1 96.1 -14.5 7.6 10.9 -6.3 92 92 A Q T <4 S+ 0 0 144 -3,-2.0 -2,-0.2 1,-0.3 -3,-0.1 0.820 94.8 52.4-110.2 -58.4 9.9 8.1 -7.6 93 93 A D S X S- 0 0 40 -4,-2.5 4,-2.9 1,-0.2 -2,-0.4 -0.787 70.4-155.1 -84.3 117.5 8.4 4.7 -6.7 94 94 A P H > S+ 0 0 106 0, 0.0 4,-2.3 0, 0.0 -1,-0.2 0.870 92.5 51.9 -61.8 -42.3 4.8 4.7 -7.9 95 95 A S H > S+ 0 0 42 2,-0.2 4,-1.7 1,-0.2 -2,-0.0 0.923 115.7 40.2 -58.7 -50.5 3.7 2.1 -5.3 96 96 A F H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 5,-0.2 0.871 112.5 55.3 -70.2 -38.4 5.3 4.0 -2.4 97 97 A T H X S+ 0 0 22 -4,-2.9 4,-1.7 -8,-0.3 -2,-0.2 0.919 107.5 51.3 -58.2 -41.4 4.0 7.4 -3.8 98 98 A A H X S+ 0 0 49 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.886 107.5 52.8 -64.5 -39.8 0.5 5.9 -3.8 99 99 A I H >X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 3,-1.1 0.969 114.1 41.5 -57.0 -52.3 0.9 4.8 -0.2 100 100 A L H 3< S+ 0 0 0 -4,-2.3 -46,-0.6 1,-0.3 -2,-0.2 0.690 106.3 63.6 -73.6 -18.3 1.9 8.3 0.9 101 101 A D H 3< S+ 0 0 70 -4,-1.7 -1,-0.3 -5,-0.2 -2,-0.2 0.726 122.3 19.6 -75.4 -17.5 -0.7 10.0 -1.3 102 102 A S H << S+ 0 0 69 -3,-1.1 2,-0.3 -4,-0.8 -2,-0.2 0.488 126.0 44.9-125.1 -12.4 -3.5 8.3 0.8 103 103 A M < - 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