==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-NOV-11 4AA9 . COMPND 2 MOLECULE: CHYMOSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CAMELUS DROMEDARIUS; . AUTHOR J.LANGHOLM JENSEN,A.MOLGAARD,J.C.NAVARRO POULSEN,J.M.VAN DEN . 313 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14119.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 214 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 6.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 98 31.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 5 1.6 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 . 1 0.3 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 . 32 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.6 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 4 0 0 1 0 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 . 1 0 2 2 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 . 1 5 1 5 1 3 0 1 0 1 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 2 2 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 11 A Y 0 0 125 0, 0.0 25,-0.1 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 28.9 -2.7 -18.0 -24.4 2 12 A L + 0 0 16 1,-0.1 207,-0.2 207,-0.0 205,-0.0 -0.001 360.0 100.5-133.8 28.9 -1.3 -20.9 -22.4 3 13 A D + 0 0 87 205,-0.3 206,-0.2 104,-0.1 205,-0.1 0.326 50.3 112.2-102.8 7.8 -0.3 -23.3 -25.2 4 14 A S - 0 0 1 204,-2.1 206,-0.1 1,-0.1 204,-0.1 -0.211 69.0-131.5 -72.1 170.9 3.4 -22.6 -25.4 5 15 A Q + 0 0 72 148,-0.1 2,-2.2 204,-0.1 -1,-0.1 0.128 65.7 127.0-108.1 20.6 5.8 -25.3 -24.3 6 16 A Y + 0 0 5 201,-0.4 17,-2.4 17,-0.1 2,-0.2 -0.517 39.5 146.4 -80.1 75.4 7.8 -22.8 -22.2 7 17 A F E -A 22 0A 51 -2,-2.2 2,-0.3 15,-0.2 15,-0.2 -0.575 25.3-178.5-102.1 167.9 7.6 -24.9 -19.0 8 18 A G E -A 21 0A 18 13,-1.7 13,-2.6 -2,-0.2 2,-0.4 -0.970 29.8-108.1-159.5 157.7 10.0 -25.5 -16.1 9 19 A K E -A 20 0A 127 -2,-0.3 75,-0.5 11,-0.2 2,-0.3 -0.742 36.5-179.2 -83.8 135.8 10.1 -27.5 -13.0 10 20 A I E -A 19 0A 0 9,-2.8 9,-2.4 -2,-0.4 2,-0.4 -0.885 17.1-138.4-127.1 165.8 9.8 -25.6 -9.7 11 21 A Y E -AB 18 82A 81 71,-1.8 71,-2.9 -2,-0.3 2,-0.4 -0.989 16.2-172.2-130.9 133.2 9.9 -26.8 -6.1 12 22 A I E > +AB 17 81A 0 5,-2.6 5,-2.6 -2,-0.4 69,-0.2 -0.988 42.6 1.7-130.4 132.5 7.6 -25.7 -3.3 13 23 A G T 5S- 0 0 8 67,-2.3 40,-0.1 -2,-0.4 66,-0.1 -0.125 88.0 -42.1 94.7 177.0 7.7 -26.5 0.4 14 24 A T T 5S+ 0 0 57 1,-0.1 40,-2.3 2,-0.1 41,-0.2 -0.950 134.5 22.9-131.4 109.2 9.8 -28.3 2.9 15 25 A P T 5S- 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 0.620 120.4-103.6 -70.1 166.9 10.7 -30.9 1.9 16 26 A P T 5 - 0 0 91 0, 0.0 2,-0.5 0, 0.0 -3,-0.2 -0.305 28.1-158.0 -69.5 137.6 10.2 -29.8 -1.7 17 27 A Q E < -A 12 0A 36 -5,-2.6 -5,-2.6 -2,-0.1 2,-0.3 -0.954 22.6-130.3-108.3 132.9 7.2 -30.9 -3.8 18 28 A E E +A 11 0A 71 -2,-0.5 2,-0.3 -7,-0.2 -7,-0.2 -0.635 28.3 173.6 -92.5 141.5 7.8 -30.7 -7.5 19 29 A F E -A 10 0A 2 -9,-2.4 -9,-2.8 -2,-0.3 2,-0.5 -0.986 27.8-133.9-139.0 150.1 5.6 -29.0 -10.1 20 30 A T E +A 9 0A 32 -2,-0.3 90,-2.4 -11,-0.2 91,-1.9 -0.911 34.4 178.0 -98.7 128.7 5.7 -28.2 -13.8 21 31 A V E -Ac 8 111A 0 -13,-2.6 -13,-1.7 -2,-0.5 2,-0.5 -0.954 32.6-119.6-130.3 149.7 4.6 -24.7 -14.6 22 32 A V E -Ac 7 112A 0 89,-1.9 91,-2.8 -2,-0.3 2,-0.8 -0.759 27.5-134.3 -80.4 130.8 4.3 -22.5 -17.6 23 33 A F E - c 0 113A 9 -17,-2.4 2,-0.6 -2,-0.5 91,-0.2 -0.820 31.7-168.9 -88.1 111.7 6.5 -19.4 -17.2 24 34 A D E > - c 0 114A 8 89,-2.5 91,-2.6 -2,-0.8 3,-1.4 -0.867 30.1-178.1-119.1 103.7 4.1 -16.7 -18.4 25 35 A T T 3 S+ 0 0 1 -2,-0.6 156,-0.5 1,-0.3 92,-0.2 0.520 84.9 69.6 -75.9 -1.9 5.1 -13.2 -19.1 26 36 A G T 3 S+ 0 0 14 -25,-0.1 2,-0.3 154,-0.1 -1,-0.3 0.318 105.3 32.0 -93.6 6.7 1.4 -12.5 -19.9 27 37 A S < - 0 0 27 -3,-1.4 89,-2.8 86,-0.1 88,-0.8 -0.914 62.1-144.8-152.5 178.1 0.3 -12.9 -16.2 28 38 A S + 0 0 1 92,-0.4 2,-0.3 86,-0.3 100,-0.2 0.463 60.6 93.9-132.1 -6.2 1.6 -12.3 -12.7 29 39 A D - 0 0 12 91,-0.2 85,-2.0 98,-0.1 2,-0.5 -0.665 55.4-144.2 -96.1 149.7 0.3 -14.9 -10.3 30 40 A L E +D 113 0A 0 -2,-0.3 64,-2.9 83,-0.3 2,-0.3 -0.954 34.0 151.8-104.2 125.9 1.9 -18.1 -9.1 31 41 A W E +De 112 94A 0 81,-2.2 81,-1.8 -2,-0.5 64,-0.2 -0.994 18.5 179.6-148.9 153.6 -0.4 -21.1 -8.5 32 42 A V E - e 0 95A 0 62,-2.4 64,-2.3 -2,-0.3 79,-0.1 -0.912 43.1 -82.8-137.8 166.5 -0.4 -24.9 -8.6 33 43 A P E - e 0 96A 0 0, 0.0 15,-3.1 0, 0.0 2,-0.2 -0.434 43.1-141.3 -69.9 148.5 -3.1 -27.5 -7.9 34 44 A S B > -h 48 0B 0 62,-1.5 3,-1.9 13,-0.3 15,-0.2 -0.693 24.7-110.8-104.5 163.5 -3.7 -28.4 -4.3 35 45 A I T 3 S+ 0 0 27 13,-2.3 14,-0.1 1,-0.3 62,-0.1 0.672 115.4 67.5 -62.7 -17.2 -4.5 -31.8 -2.7 36 46 A Y T 3 S+ 0 0 97 12,-0.3 2,-0.7 60,-0.3 -1,-0.3 0.512 76.9 89.4 -86.9 -5.8 -7.9 -30.5 -2.0 37 47 A a < + 0 0 1 -3,-1.9 61,-0.1 59,-0.4 60,-0.1 -0.857 55.6 178.0 -86.1 117.4 -8.8 -30.3 -5.7 38 48 A K + 0 0 115 -2,-0.7 -1,-0.1 59,-0.4 60,-0.1 0.260 32.8 118.6-111.3 10.5 -10.3 -33.7 -6.4 39 49 A S S > S- 0 0 47 1,-0.1 4,-3.4 4,-0.0 5,-0.2 -0.216 77.4-106.2 -70.8 166.2 -11.3 -33.6 -10.0 40 50 A N H > S+ 0 0 129 2,-0.2 4,-1.7 1,-0.2 -1,-0.1 0.905 121.3 52.4 -59.6 -43.5 -9.8 -35.9 -12.7 41 51 A V H 4 S+ 0 0 27 1,-0.2 -1,-0.2 2,-0.2 3,-0.2 0.953 116.2 40.5 -58.8 -46.8 -7.7 -33.1 -14.1 42 52 A a H >4 S+ 0 0 0 1,-0.2 3,-1.9 2,-0.2 -2,-0.2 0.922 111.7 54.7 -67.9 -45.2 -6.3 -32.3 -10.6 43 53 A K H 3< S+ 0 0 114 -4,-3.4 -1,-0.2 1,-0.3 -2,-0.2 0.787 109.6 49.3 -60.4 -27.5 -5.9 -36.0 -9.5 44 54 A N T 3< S+ 0 0 131 -4,-1.7 -1,-0.3 -5,-0.2 2,-0.2 0.221 107.4 63.9-102.8 15.2 -3.8 -36.7 -12.6 45 55 A H S < S- 0 0 46 -3,-1.9 2,-0.3 -5,-0.1 64,-0.1 -0.737 102.9 -79.0-117.4 173.3 -1.5 -33.7 -12.1 46 56 A H - 0 0 94 -2,-0.2 2,-0.4 -26,-0.1 -2,-0.1 -0.620 49.2-160.9 -71.6 136.1 0.9 -32.9 -9.3 47 57 A R - 0 0 62 -2,-0.3 2,-0.4 -4,-0.1 -13,-0.3 -0.978 14.6-127.8-125.9 131.1 -0.9 -31.6 -6.3 48 58 A F B -h 34 0B 1 -15,-3.1 -13,-2.3 -2,-0.4 -12,-0.3 -0.586 16.1-160.2 -78.3 126.6 0.6 -29.6 -3.4 49 59 A D > - 0 0 14 -2,-0.4 3,-1.5 -15,-0.2 4,-0.2 -0.894 3.4-168.1-106.3 104.5 -0.2 -31.0 0.1 50 60 A P G > S+ 0 0 11 0, 0.0 3,-1.6 0, 0.0 6,-0.3 0.780 82.9 68.5 -63.8 -25.3 0.4 -28.2 2.6 51 61 A R G 3 S+ 0 0 160 1,-0.3 -3,-0.0 -3,-0.1 -2,-0.0 0.758 97.6 54.0 -63.5 -23.8 0.2 -30.6 5.5 52 62 A K G < S+ 0 0 144 -3,-1.5 2,-0.6 1,-0.0 -1,-0.3 0.409 94.2 82.8 -90.8 -1.1 3.5 -32.1 4.3 53 63 A S X - 0 0 10 -3,-1.6 3,-1.0 -4,-0.2 -40,-0.1 -0.919 56.9-164.8-112.3 119.5 5.3 -28.8 4.3 54 64 A S T 3 S+ 0 0 83 -40,-2.3 -1,-0.1 -2,-0.6 -3,-0.0 0.680 91.8 51.5 -73.1 -16.4 6.8 -27.4 7.5 55 65 A T T 3 S+ 0 0 49 -41,-0.2 -1,-0.2 -40,-0.1 2,-0.1 0.452 82.2 117.6 -99.8 -1.7 7.3 -24.0 6.1 56 66 A F < - 0 0 30 -3,-1.0 2,-0.4 -6,-0.3 23,-0.2 -0.426 39.3-176.4 -68.4 136.7 3.7 -23.5 4.8 57 67 A R E -F 78 0A 147 21,-2.2 21,-3.0 -2,-0.1 2,-0.4 -0.993 23.8-129.8-133.7 130.2 1.6 -20.7 6.2 58 68 A N E -F 77 0A 102 -2,-0.4 19,-0.2 19,-0.2 -2,-0.0 -0.626 12.2-160.8 -79.0 128.8 -2.0 -20.1 5.3 59 69 A L E - 0 0 30 17,-2.2 18,-0.2 -2,-0.4 -1,-0.1 0.644 28.2-129.7 -82.9 -17.6 -2.7 -16.5 4.3 60 70 A G E S+ 0 0 57 16,-0.5 17,-0.1 1,-0.2 -2,-0.1 0.864 70.1 117.6 65.8 37.0 -6.4 -16.6 4.9 61 71 A K E - 0 0 72 15,-0.5 15,-2.7 63,-0.1 -1,-0.2 -0.996 56.3-135.0-137.4 138.3 -7.0 -15.1 1.4 62 72 A P E -F 75 0A 93 0, 0.0 2,-0.3 0, 0.0 13,-0.3 -0.437 9.6-153.0 -88.7 167.3 -8.7 -16.5 -1.6 63 73 A L E +F 74 0A 7 11,-2.3 11,-2.3 32,-0.1 2,-0.3 -0.997 13.8 174.1-137.1 137.3 -7.7 -16.6 -5.3 64 74 A S E +F 73 0A 59 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.951 4.0 175.9-144.7 124.8 -9.9 -16.7 -8.4 65 75 A I E -F 72 0A 24 7,-2.3 7,-2.5 -2,-0.3 2,-0.4 -0.994 14.9-151.1-131.2 134.0 -8.7 -16.4 -11.9 66 76 A H E -F 71 0A 137 -2,-0.4 5,-0.3 5,-0.2 2,-0.3 -0.860 11.0-169.6-106.7 139.8 -10.6 -16.7 -15.1 67 77 A Y E > -F 70 0A 47 3,-4.0 3,-1.3 -2,-0.4 36,-0.0 -0.766 39.6-102.3-116.7 166.3 -9.2 -17.9 -18.4 68 78 A G T 3 S+ 0 0 87 1,-0.3 -1,-0.1 -2,-0.3 3,-0.0 0.922 122.7 21.4 -52.2 -46.4 -10.7 -17.8 -21.9 69 79 A T T 3 S- 0 0 85 32,-0.1 34,-2.3 -3,-0.0 35,-0.3 -0.275 133.7 -3.7-121.9 45.7 -11.6 -21.5 -21.7 70 80 A G E < -F 67 0A 16 -3,-1.3 -3,-4.0 31,-0.2 2,-0.3 -0.926 57.3-132.5 160.7-178.0 -11.6 -22.1 -17.9 71 81 A S E -F 66 0A 22 29,-2.5 2,-0.4 -5,-0.3 -5,-0.2 -0.973 7.8-143.1-154.9 165.1 -11.1 -20.8 -14.4 72 82 A M E -F 65 0A 0 -7,-2.5 -7,-2.3 -2,-0.3 2,-0.4 -0.995 8.3-170.0-133.6 142.2 -9.4 -21.6 -11.2 73 83 A E E +FG 64 98A 91 25,-2.2 24,-3.0 -2,-0.4 25,-1.9 -0.971 29.3 123.6-123.9 149.1 -10.5 -21.0 -7.6 74 84 A G E -FG 63 96A 10 -11,-2.3 -11,-2.3 -2,-0.4 2,-0.3 -0.943 48.5 -87.6-174.8-165.6 -8.2 -21.6 -4.6 75 85 A F E -FG 62 95A 37 20,-2.2 20,-2.5 -2,-0.3 2,-0.4 -0.872 31.7-120.0-129.5 157.9 -6.5 -20.3 -1.5 76 86 A L E + G 0 94A 0 -15,-2.7 -17,-2.2 -2,-0.3 -16,-0.5 -0.838 30.9 168.3-103.5 137.7 -3.2 -18.5 -0.9 77 87 A G E -FG 58 93A 0 16,-2.1 16,-3.1 -2,-0.4 2,-0.4 -0.884 30.7-121.0-132.7 166.6 -0.4 -19.7 1.3 78 88 A Y E +FG 57 92A 92 -21,-3.0 -21,-2.2 -2,-0.3 2,-0.3 -0.928 45.4 140.4-101.3 139.9 3.2 -18.7 1.9 79 89 A D E - G 0 91A 3 12,-1.8 12,-2.5 -2,-0.4 2,-0.5 -0.955 54.5 -80.9-160.2 176.1 6.0 -21.2 1.3 80 90 A T E - 0 0 33 -2,-0.3 -67,-2.3 9,-0.2 2,-0.4 -0.758 42.7-168.7 -84.8 129.5 9.5 -21.5 -0.1 81 91 A V E -BG 12 88A 0 7,-2.8 7,-3.0 -2,-0.5 2,-0.5 -0.977 7.5-157.2-121.4 130.2 9.6 -21.7 -3.9 82 92 A T E +BG 11 87A 42 -71,-2.9 -71,-1.8 -2,-0.4 2,-0.4 -0.936 19.3 166.4-109.8 126.8 12.7 -22.7 -5.8 83 93 A V E > - G 0 86A 3 3,-2.3 3,-2.4 -2,-0.5 -73,-0.1 -0.994 65.6 -16.2-138.2 130.4 13.0 -21.6 -9.5 84 94 A S T 3 S- 0 0 42 -75,-0.5 74,-0.3 -2,-0.4 3,-0.1 0.885 127.7 -50.0 45.8 47.3 16.0 -21.6 -11.8 85 95 A N T 3 S+ 0 0 160 1,-0.2 2,-0.5 -3,-0.0 -1,-0.3 0.550 113.1 117.6 69.0 8.7 18.5 -21.9 -8.9 86 96 A I E < - G 0 83A 24 -3,-2.4 -3,-2.3 2,-0.0 2,-0.7 -0.936 55.6-148.8-105.7 127.5 16.9 -19.1 -6.9 87 97 A V E - G 0 82A 83 -2,-0.5 -5,-0.2 -5,-0.2 -7,-0.0 -0.884 14.9-167.8 -99.6 117.2 15.4 -20.0 -3.5 88 98 A D E - G 0 81A 0 -7,-3.0 -7,-2.8 -2,-0.7 3,-0.4 -0.877 5.0-165.3-114.9 99.7 12.5 -17.7 -2.8 89 99 A P E + 0 0 29 0, 0.0 -9,-0.2 0, 0.0 46,-0.1 -0.397 66.3 21.6 -84.5 163.1 11.2 -17.8 0.7 90 100 A N E S+ 0 0 88 1,-0.2 2,-0.4 -35,-0.1 -10,-0.2 0.890 84.8 163.1 53.4 42.4 7.9 -16.4 2.1 91 101 A Q E - 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