==== 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 4AA8 . COMPND 2 MOLECULE: CHYMOSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.LANGHOLM JENSEN,A.MOLGAARD,J.C.NAVARRO POULSEN,J.M.VAN DEN . 323 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14542.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 229 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 21 6.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 102 31.6 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 1.5 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 . 39 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 29 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 23 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 1.5 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 3 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 . 2 1 1 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 . 2 5 3 4 2 2 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 1 1 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 G 0 0 71 0, 0.0 147,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 71.6 22.9 7.4 -37.9 2 2 A E B -a 148 0A 90 145,-1.9 147,-2.2 148,-0.1 2,-0.4 -0.808 360.0-123.4-131.5 172.8 19.4 6.7 -36.6 3 3 A V - 0 0 48 -2,-0.3 2,-0.5 145,-0.2 92,-0.2 -0.925 16.4-159.2-118.4 143.5 17.6 5.3 -33.5 4 4 A A E -B 168 0B 0 164,-1.7 164,-2.7 -2,-0.4 2,-0.7 -0.990 3.2-159.5-123.5 124.7 15.1 2.5 -33.5 5 5 A S E -B 167 0B 68 -2,-0.5 162,-0.2 162,-0.2 -2,-0.0 -0.923 12.5-172.9-100.8 115.0 12.6 1.9 -30.7 6 6 A V E -B 166 0B 4 160,-3.4 160,-3.0 -2,-0.7 2,-0.1 -0.908 16.6-141.6-111.0 103.9 11.4 -1.7 -30.8 7 7 A P E -B 165 0B 83 0, 0.0 12,-0.4 0, 0.0 2,-0.4 -0.426 18.0-145.2 -62.1 133.7 8.6 -2.4 -28.4 8 8 A L - 0 0 10 156,-1.8 2,-0.3 148,-0.2 156,-0.3 -0.858 11.8-161.9-105.2 140.9 9.0 -5.8 -26.8 9 9 A T B -G 17 0C 54 8,-2.9 8,-2.1 -2,-0.4 2,-0.3 -0.873 7.9-178.3-116.9 149.1 6.1 -8.1 -25.8 10 10 A N - 0 0 37 -2,-0.3 2,-0.5 6,-0.2 6,-0.1 -0.976 12.6-155.4-146.7 140.4 5.9 -11.1 -23.5 11 11 A Y > - 0 0 130 4,-0.4 3,-2.5 -2,-0.3 2,-0.3 -0.951 59.0 -60.1-116.6 115.7 3.1 -13.5 -22.6 12 12 A L T 3 S- 0 0 143 -2,-0.5 266,-0.1 1,-0.3 267,-0.0 -0.336 124.5 -5.5 57.6-112.4 3.2 -15.3 -19.2 13 13 A D T 3 S+ 0 0 112 -2,-0.3 -1,-0.3 266,-0.1 207,-0.1 0.268 106.6 120.4 -97.6 9.6 6.4 -17.3 -19.2 14 14 A S < - 0 0 21 -3,-2.5 103,-0.1 1,-0.1 2,-0.1 -0.150 68.7-101.9 -68.7 164.2 7.4 -16.6 -22.8 15 15 A Q - 0 0 25 1,-0.1 -4,-0.4 -5,-0.1 2,-0.4 -0.282 44.3 -95.0 -68.8 172.2 10.6 -14.9 -23.9 16 16 A Y + 0 0 6 201,-0.4 17,-0.4 -6,-0.1 2,-0.3 -0.769 52.6 171.3 -91.6 139.8 10.5 -11.2 -24.9 17 17 A F B -G 9 0C 14 -8,-2.1 -8,-2.9 -2,-0.4 2,-0.3 -0.930 13.6-173.6-145.6 164.8 10.1 -10.5 -28.6 18 18 A G E -H 31 0D 3 13,-2.0 13,-2.9 -2,-0.3 2,-0.4 -0.905 30.5 -81.6-152.0 178.3 9.5 -7.7 -31.1 19 19 A K E +H 30 0D 118 -12,-0.4 2,-0.3 -2,-0.3 11,-0.2 -0.712 37.5 163.8 -98.3 137.3 8.9 -7.0 -34.7 20 20 A I E -H 29 0D 0 9,-2.1 9,-2.3 -2,-0.4 2,-0.3 -0.884 25.7-133.9-131.3 167.6 11.3 -6.7 -37.7 21 21 A Y E -HI 28 92D 83 71,-2.3 71,-2.6 -2,-0.3 2,-0.4 -0.952 15.6-166.9-124.3 149.4 10.6 -6.8 -41.4 22 22 A L E > +HI 27 91D 0 5,-2.5 5,-2.0 -2,-0.3 69,-0.2 -0.998 44.3 10.8-137.1 135.8 12.4 -8.7 -44.1 23 23 A G T 5S- 0 0 4 67,-2.1 40,-0.1 -2,-0.4 66,-0.1 -0.200 87.8 -50.1 98.3 174.7 12.3 -8.4 -47.9 24 24 A T T 5S+ 0 0 53 1,-0.2 40,-2.5 2,-0.1 41,-0.3 -0.944 133.0 28.8-133.3 109.9 11.0 -6.0 -50.6 25 25 A P T 5S- 0 0 89 0, 0.0 -1,-0.2 0, 0.0 -3,-0.1 0.582 121.3-102.2 -71.2 163.9 8.2 -5.4 -50.0 26 26 A P T 5 - 0 0 86 0, 0.0 2,-0.4 0, 0.0 -3,-0.2 -0.280 31.8-159.7 -64.2 135.3 8.6 -5.9 -46.3 27 27 A Q E < -H 22 0D 36 -5,-2.0 -5,-2.5 -4,-0.1 2,-0.2 -0.954 21.7-124.5-113.1 135.6 7.3 -9.1 -44.7 28 28 A E E +H 21 0D 82 -2,-0.4 2,-0.3 -7,-0.2 -7,-0.2 -0.566 32.8 168.1 -90.1 140.9 6.7 -9.0 -40.9 29 29 A F E -H 20 0D 3 -9,-2.3 -9,-2.1 -2,-0.2 2,-0.5 -0.983 30.4-132.2-142.1 152.4 8.2 -11.3 -38.3 30 30 A T E -H 19 0D 28 -2,-0.3 90,-2.3 -11,-0.2 91,-1.9 -0.913 34.2-173.5 -99.8 135.2 8.4 -11.5 -34.5 31 31 A V E -Hj 18 121D 0 -13,-2.9 -13,-2.0 -2,-0.5 2,-0.7 -0.951 31.2-121.4-130.3 152.8 11.9 -12.2 -33.3 32 32 A L E - j 0 122D 0 89,-2.3 91,-3.0 -2,-0.3 2,-0.9 -0.829 26.9-144.2 -82.6 113.2 13.8 -13.0 -30.1 33 33 A F E - j 0 123D 15 -2,-0.7 2,-0.6 -17,-0.4 91,-0.2 -0.793 29.1-168.6 -82.0 111.4 16.4 -10.2 -29.8 34 34 A D E > - j 0 124D 12 89,-2.5 91,-2.6 -2,-0.9 3,-1.5 -0.873 33.1-176.7-124.1 102.9 19.0 -12.4 -28.2 35 35 A T T 3 S+ 0 0 1 -2,-0.6 156,-0.5 1,-0.3 92,-0.2 0.512 85.1 70.6 -77.3 -0.8 22.2 -11.2 -26.6 36 36 A G T 3 S+ 0 0 14 154,-0.1 2,-0.3 90,-0.1 -1,-0.3 0.259 105.8 29.0 -94.6 10.6 23.2 -14.8 -26.1 37 37 A S < - 0 0 28 -3,-1.5 89,-2.5 86,-0.1 88,-0.7 -0.948 60.0-146.3-158.1 174.4 23.8 -15.5 -29.8 38 38 A S + 0 0 1 92,-0.4 100,-0.2 -2,-0.3 93,-0.2 0.480 61.8 97.7-130.1 -7.9 24.8 -13.7 -33.0 39 39 A D - 0 0 11 91,-0.2 85,-2.6 98,-0.1 2,-0.5 -0.499 56.1-145.2 -86.1 157.6 23.0 -15.3 -35.9 40 40 A F E +K 123 0D 2 83,-0.2 64,-2.7 -2,-0.2 2,-0.3 -0.988 31.7 150.2-122.7 124.1 19.8 -14.0 -37.6 41 41 A W E -Kl 122 104D 3 81,-2.5 81,-1.5 -2,-0.5 64,-0.2 -0.994 20.3-174.2-150.6 155.7 17.2 -16.4 -38.9 42 42 A V E - l 0 105D 0 62,-2.5 64,-2.4 -2,-0.3 79,-0.2 -0.950 40.4 -88.0-140.4 162.1 13.5 -16.8 -39.6 43 43 A P - 0 0 0 0, 0.0 15,-3.2 0, 0.0 2,-0.3 -0.361 47.6-162.0 -65.2 152.1 11.2 -19.6 -40.8 44 44 A S B > -o 58 0E 0 62,-0.5 3,-2.1 13,-0.3 15,-0.2 -0.868 36.5 -98.2-132.6 168.3 10.8 -19.9 -44.6 45 45 A I T 3 S+ 0 0 49 13,-2.0 14,-0.1 -2,-0.3 62,-0.1 0.685 117.7 68.2 -54.9 -20.0 8.5 -21.5 -47.1 46 46 A Y T 3 S+ 0 0 145 60,-0.3 2,-0.6 12,-0.3 -1,-0.3 0.406 83.3 87.0 -84.6 3.2 11.1 -24.3 -47.4 47 47 A a < + 0 0 2 -3,-2.1 61,-0.2 1,-0.1 60,-0.1 -0.921 45.0 172.4-107.9 121.3 10.3 -25.5 -43.8 48 48 A K + 0 0 175 59,-0.7 -1,-0.1 -2,-0.6 60,-0.1 0.419 37.2 124.5-105.1 -0.2 7.5 -28.0 -43.4 49 49 A S S > S- 0 0 21 58,-0.3 4,-2.0 1,-0.1 3,-0.4 -0.145 75.5-110.6 -59.9 154.0 8.0 -28.7 -39.7 50 50 A N H > S+ 0 0 127 1,-0.2 4,-1.1 2,-0.2 -1,-0.1 0.888 118.9 57.6 -47.8 -44.4 5.1 -28.2 -37.3 51 51 A A H >4 S+ 0 0 0 58,-0.6 3,-0.7 60,-0.3 -1,-0.2 0.912 106.1 48.2 -60.6 -39.3 6.9 -25.3 -35.7 52 52 A a H >4 S+ 0 0 0 -3,-0.4 3,-1.7 1,-0.2 -1,-0.2 0.892 105.4 59.2 -68.8 -34.8 7.1 -23.6 -39.1 53 53 A K H 3< S+ 0 0 116 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.741 105.5 50.8 -61.1 -24.0 3.4 -24.2 -39.6 54 54 A N T << S+ 0 0 94 -4,-1.1 2,-0.3 -3,-0.7 -1,-0.3 0.225 110.9 54.2-100.0 11.5 2.7 -22.3 -36.4 55 55 A H S < S- 0 0 13 -3,-1.7 2,-0.2 65,-0.0 65,-0.1 -0.925 93.7 -81.1-143.2 163.5 4.7 -19.2 -37.4 56 56 A Q - 0 0 122 -2,-0.3 2,-0.4 -26,-0.1 -2,-0.1 -0.474 45.4-153.5 -65.2 135.1 5.3 -16.6 -40.1 57 57 A R - 0 0 93 -2,-0.2 -13,-0.3 -15,-0.1 2,-0.3 -0.959 14.4-121.1-118.9 130.2 7.4 -17.9 -42.9 58 58 A F B -o 44 0E 0 -15,-3.2 -13,-2.0 -2,-0.4 -12,-0.3 -0.516 20.2-156.7 -69.5 128.6 9.6 -15.8 -45.2 59 59 A D > - 0 0 18 -2,-0.3 3,-1.7 -15,-0.2 4,-0.1 -0.857 10.8-175.9-110.3 96.1 8.6 -16.1 -48.9 60 60 A P G > S+ 0 0 11 0, 0.0 3,-1.4 0, 0.0 6,-0.3 0.719 78.5 71.9 -66.1 -19.3 11.6 -15.2 -51.0 61 61 A R G 3 S+ 0 0 179 1,-0.3 -2,-0.0 -3,-0.1 -3,-0.0 0.604 99.7 47.9 -66.6 -20.4 9.5 -15.6 -54.2 62 62 A K G < S+ 0 0 150 -3,-1.7 2,-0.5 -37,-0.0 -1,-0.3 0.354 96.7 86.2-103.9 1.6 7.8 -12.4 -53.2 63 63 A S X - 0 0 12 -3,-1.4 3,-0.7 -4,-0.1 -40,-0.1 -0.931 55.9-164.2-112.7 122.2 11.0 -10.4 -52.4 64 64 A S T 3 S+ 0 0 99 -40,-2.5 -1,-0.1 -2,-0.5 -3,-0.0 0.575 90.8 50.5 -75.1 -10.7 12.7 -8.6 -55.2 65 65 A T T 3 S+ 0 0 58 -41,-0.3 -1,-0.2 -40,-0.1 2,-0.1 0.402 79.5 119.1-112.8 0.2 15.9 -8.2 -53.1 66 66 A F < - 0 0 42 -3,-0.7 2,-0.4 -6,-0.3 23,-0.2 -0.430 35.2-179.0 -69.3 140.3 16.4 -11.8 -51.9 67 67 A Q E -M 88 0D 124 21,-2.2 21,-3.1 -2,-0.1 2,-0.3 -0.958 20.9-136.9-139.5 121.1 19.6 -13.6 -52.9 68 68 A N E -M 87 0D 87 -2,-0.4 19,-0.3 19,-0.3 18,-0.1 -0.586 15.5-175.2 -74.6 133.3 20.4 -17.2 -51.8 69 69 A L E - 0 0 58 17,-2.2 18,-0.2 -2,-0.3 -1,-0.1 0.638 27.8-143.1 -96.7 -20.6 24.0 -17.9 -50.6 70 70 A G E + 0 0 44 16,-1.2 17,-0.1 1,-0.2 -2,-0.1 0.372 51.9 136.4 77.3 -4.1 23.4 -21.6 -50.2 71 71 A K E - 0 0 85 15,-0.4 15,-3.4 1,-0.1 -1,-0.2 -0.562 56.3-114.6 -82.3 136.6 25.5 -21.9 -47.1 72 72 A P E -M 85 0D 84 0, 0.0 2,-0.4 0, 0.0 13,-0.2 -0.321 25.1-162.6 -68.4 150.3 24.1 -24.0 -44.3 73 73 A L E +M 84 0D 1 11,-2.4 11,-2.4 32,-0.1 2,-0.4 -0.995 8.9 179.5-130.2 130.5 23.1 -22.6 -40.9 74 74 A S E +M 83 0D 61 -2,-0.4 2,-0.3 9,-0.2 9,-0.2 -0.994 6.9 169.3-132.1 129.2 22.7 -24.7 -37.8 75 75 A I E -M 82 0D 17 7,-2.1 7,-2.0 -2,-0.4 2,-0.4 -0.941 23.8-140.6-135.2 156.9 21.7 -23.4 -34.4 76 76 A H E +M 81 0D 146 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.938 17.2 176.3-114.7 141.0 20.7 -24.6 -31.0 77 77 A Y E > -M 80 0D 40 3,-2.4 3,-2.1 -2,-0.4 2,-0.1 -0.922 66.9 -38.9-143.9 118.7 18.0 -23.0 -28.8 78 78 A G T 3 S- 0 0 70 -2,-0.3 141,-0.0 1,-0.3 35,-0.0 -0.482 123.1 -32.1 59.6-133.7 17.0 -24.6 -25.6 79 79 A T T 3 S+ 0 0 138 -2,-0.1 -1,-0.3 -3,-0.1 2,-0.1 0.408 125.4 89.5 -92.8 1.7 16.9 -28.3 -26.3 80 80 A G E < -M 77 0D 6 -3,-2.1 -3,-2.4 32,-0.1 2,-0.3 -0.460 60.1-149.1 -99.4 169.3 15.9 -27.7 -29.9 81 81 A S E -M 76 0D 43 29,-0.5 2,-0.4 -5,-0.2 -5,-0.2 -0.970 2.4-154.6-136.6 151.5 17.7 -27.1 -33.2 82 82 A M E -M 75 0D 1 -7,-2.0 -7,-2.1 -2,-0.3 2,-0.4 -0.989 6.9-166.4-123.7 134.9 17.1 -25.2 -36.4 83 83 A Q E +MN 74 108D 76 25,-2.7 24,-3.2 -2,-0.4 25,-2.5 -0.976 26.9 140.6-115.6 137.0 18.6 -26.1 -39.7 84 84 A G E -MN 73 106D 1 -11,-2.4 -11,-2.4 -2,-0.4 2,-0.4 -0.887 45.1-102.3-156.3-171.1 18.5 -23.6 -42.6 85 85 A I E -MN 72 105D 60 20,-2.2 20,-2.3 -2,-0.3 2,-0.2 -0.992 33.1-123.2-130.7 130.0 20.2 -22.0 -45.5 86 86 A L E + N 0 104D 1 -15,-3.4 -17,-2.2 -2,-0.4 -16,-1.2 -0.452 37.7 155.5 -75.3 142.8 21.8 -18.5 -45.5 87 87 A G E -MN 68 103D 0 16,-2.2 16,-2.7 -19,-0.3 2,-0.4 -0.865 36.3-107.4-145.4 179.3 20.8 -15.8 -48.0 88 88 A Y E +MN 67 102D 74 -21,-3.1 -21,-2.2 -2,-0.3 2,-0.3 -0.935 43.3 140.9-110.3 142.5 20.8 -12.0 -48.2 89 89 A D E - 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