==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 16-JUN-08 2K4R . COMPND 2 MOLECULE: NEUROTRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS NORVEGICUS; . AUTHOR O.A.OZHOGINA . 77 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4868.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 41 53.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 14 18.2 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 . 3 3.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.3 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 . 10 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 2.6 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+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 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 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 1 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 0 0 ANTIPARALLEL BRIDGES PER LADDER . 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 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 R 0 0 295 0, 0.0 2,-0.5 0, 0.0 73,-0.0 0.000 360.0 360.0 360.0 57.5 -12.0 12.3 -2.6 2 2 A a - 0 0 65 72,-0.1 2,-0.3 73,-0.0 6,-0.1 -0.911 360.0-171.2-128.6 102.9 -8.9 10.6 -4.1 3 3 A G > - 0 0 39 -2,-0.5 3,-2.1 4,-0.1 72,-0.1 -0.685 37.7 -94.4 -91.2 148.1 -6.6 12.5 -6.5 4 4 A A T 3 S+ 0 0 66 -2,-0.3 69,-0.1 1,-0.3 -1,-0.1 -0.355 113.0 26.2 -61.2 133.4 -3.8 10.8 -8.4 5 5 A G T 3 S+ 0 0 21 1,-0.2 -1,-0.3 51,-0.1 68,-0.1 0.204 95.8 109.8 96.8 -15.8 -0.5 11.0 -6.6 6 6 A E < - 0 0 128 -3,-2.1 -1,-0.2 67,-0.3 49,-0.0 -0.856 62.2-142.9 -99.1 112.5 -2.3 11.3 -3.2 7 7 A P - 0 0 47 0, 0.0 66,-0.1 0, 0.0 -4,-0.1 -0.300 13.6-136.4 -71.1 154.4 -1.8 8.1 -1.1 8 8 A W - 0 0 154 3,-0.6 2,-0.7 1,-0.1 4,-0.1 0.629 47.2-123.3 -81.7 -14.9 -4.5 6.7 1.1 9 9 A G S S+ 0 0 12 2,-0.2 38,-1.9 63,-0.1 -1,-0.1 -0.759 87.8 15.9 113.5 -84.6 -1.7 6.2 3.7 10 10 A N S S+ 0 0 58 -2,-0.7 8,-0.8 36,-0.2 2,-0.3 -0.301 109.7 82.5-121.6 46.3 -1.6 2.5 4.7 11 11 A A B S-A 17 0A 6 6,-0.3 2,-0.8 2,-0.1 -3,-0.6 -0.931 83.7-114.5-148.5 124.3 -3.6 1.0 1.9 12 12 A T S > S- 0 0 13 4,-3.4 2,-2.0 -2,-0.3 3,-1.9 -0.456 85.4 -48.7 -59.6 102.5 -2.4 0.1 -1.6 13 13 A N T 3 S- 0 0 22 -2,-0.8 -1,-0.1 57,-0.3 -5,-0.1 -0.469 122.5 -30.3 67.8 -80.5 -4.4 2.5 -3.6 14 14 A L T 3 S+ 0 0 111 -2,-2.0 -1,-0.3 60,-0.1 -2,-0.1 0.088 131.0 51.8-152.5 21.7 -7.8 1.8 -2.1 15 15 A G S < S+ 0 0 54 -3,-1.9 -2,-0.1 1,-0.3 0, 0.0 0.531 88.4 35.0-127.4 -92.1 -7.5 -1.9 -1.0 16 16 A V S S- 0 0 42 -4,-0.4 -4,-3.4 1,-0.1 -1,-0.3 -0.621 78.1-106.6 -92.7 131.8 -5.0 -3.8 1.0 17 17 A P B -A 11 0A 79 0, 0.0 44,-1.8 0, 0.0 -6,-0.3 -0.128 34.7-106.8 -55.2 143.7 -3.2 -2.2 4.0 18 18 A b B -B 60 0B 4 -8,-0.8 42,-0.3 42,-0.2 2,-0.1 -0.547 30.5-144.7 -73.9 127.1 0.5 -1.3 3.8 19 19 A L - 0 0 34 40,-3.3 40,-0.4 -2,-0.3 27,-0.3 -0.403 37.3 -79.2 -82.3 167.7 2.9 -3.6 5.6 20 20 A H > - 0 0 68 25,-0.2 3,-0.9 1,-0.1 25,-0.3 -0.479 32.6-131.4 -75.7 142.0 6.0 -2.1 7.3 21 21 A W G > S+ 0 0 1 23,-2.2 3,-0.6 20,-0.7 21,-0.2 0.791 110.8 45.0 -65.6 -30.6 8.9 -1.5 5.1 22 22 A D G 3 S+ 0 0 102 20,-2.1 -1,-0.3 22,-0.3 20,-0.1 0.593 107.4 62.3 -85.1 -10.0 11.4 -3.2 7.4 23 23 A E G < S+ 0 0 118 -3,-0.9 -1,-0.2 19,-0.3 -2,-0.2 0.217 73.3 118.6-101.5 11.8 8.8 -6.0 7.7 24 24 A V S < S- 0 0 17 -3,-0.6 4,-0.1 -5,-0.1 -3,-0.0 -0.720 71.9-117.1 -79.1 121.1 9.0 -6.8 4.0 25 25 A P - 0 0 46 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 -0.350 12.5-128.3 -62.2 137.2 10.2 -10.5 3.6 26 26 A P S S+ 0 0 126 0, 0.0 2,-0.9 0, 0.0 -2,-0.0 0.795 105.8 58.3 -57.6 -32.5 13.5 -10.9 1.8 27 27 A F S S- 0 0 190 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.867 85.3-172.9 -99.9 99.6 11.8 -13.4 -0.5 28 28 A L - 0 0 44 -2,-0.9 40,-0.1 1,-0.1 38,-0.0 -0.682 29.9-142.7-102.5 147.0 9.1 -11.4 -1.9 29 29 A E S S+ 0 0 106 38,-0.8 2,-0.3 -2,-0.3 39,-0.2 0.874 89.3 46.9 -76.4 -40.9 6.2 -12.5 -4.1 30 30 A R S S- 0 0 118 37,-0.7 -2,-0.1 0, 0.0 37,-0.0 -0.760 84.2-126.5 -97.3 150.1 6.2 -9.4 -6.3 31 31 A S - 0 0 90 -2,-0.3 38,-0.1 38,-0.1 -2,-0.0 -0.861 26.5-128.7 -92.8 124.2 9.2 -7.8 -7.8 32 32 A P - 0 0 39 0, 0.0 -4,-0.0 0, 0.0 4,-0.0 -0.529 6.8-136.8 -73.1 139.6 9.5 -4.1 -7.0 33 33 A P S S+ 0 0 68 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 0.721 84.9 28.1 -69.5 -22.5 10.1 -1.7 -9.9 34 34 A A S S- 0 0 29 17,-0.0 2,-0.8 0, 0.0 17,-0.1 -0.923 94.1 -92.1-138.3 159.7 12.7 0.3 -8.1 35 35 A S > - 0 0 98 -2,-0.3 3,-0.5 1,-0.2 0, 0.0 -0.650 41.2-178.0 -73.7 108.9 15.3 -0.2 -5.3 36 36 A W G >> + 0 0 49 -2,-0.8 3,-2.4 1,-0.2 4,-0.5 0.370 54.2 102.1 -98.0 4.7 13.2 0.8 -2.3 37 37 A A G 34 S+ 0 0 63 1,-0.3 -1,-0.2 2,-0.2 3,-0.2 0.678 85.5 51.6 -60.2 -16.3 16.0 0.4 0.3 38 38 A E G <4 S+ 0 0 130 -3,-0.5 -1,-0.3 1,-0.2 -2,-0.1 0.306 79.8 88.8-106.0 6.8 16.2 4.2 0.1 39 39 A L T <4 S- 0 0 17 -3,-2.4 -1,-0.2 9,-0.1 -2,-0.2 0.778 77.3-163.9 -67.5 -28.7 12.5 4.8 0.7 40 40 A R < + 0 0 178 -4,-0.5 -3,-0.1 -3,-0.2 -2,-0.1 0.775 51.4 119.2 51.1 42.1 13.8 4.8 4.3 41 41 A G > + 0 0 0 1,-0.1 3,-1.4 3,-0.1 -20,-0.7 -0.098 31.3 135.4-113.6 32.5 10.5 4.3 6.0 42 42 A Q T 3 + 0 0 52 1,-0.3 -20,-2.1 -21,-0.2 -19,-0.3 0.878 64.3 50.8 -50.3 -56.1 11.7 1.0 7.4 43 43 A P T 3 S+ 0 0 117 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.718 118.5 35.6 -57.8 -21.3 10.4 1.4 11.0 44 44 A H S < S- 0 0 71 -3,-1.4 -23,-2.2 2,-0.1 2,-0.4 -0.586 78.3-115.3-127.1 179.3 6.9 2.3 9.8 45 45 A N + 0 0 41 -25,-0.3 2,-0.2 -2,-0.2 -25,-0.2 -0.995 51.4 124.2-122.0 128.9 4.4 1.5 7.1 46 46 A F - 0 0 83 -2,-0.4 -36,-0.2 -27,-0.3 11,-0.1 -0.775 63.6 -84.4 178.8 134.7 3.3 4.3 4.7 47 47 A c - 0 0 3 -38,-1.9 2,-0.3 -2,-0.2 11,-0.2 -0.111 46.6-165.0 -47.9 139.5 3.2 4.7 0.9 48 48 A R E -C 57 0B 84 9,-2.4 9,-3.2 7,-0.1 24,-0.2 -0.857 15.5-136.6-127.0 162.3 6.5 5.9 -0.6 49 49 A S E + 0 0 55 -2,-0.3 5,-0.1 7,-0.3 9,-0.0 -0.785 34.2 154.2-130.1 90.4 7.5 7.3 -4.0 50 50 A P E + 0 0 41 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 0.675 59.4 90.2 -78.2 -21.2 10.6 6.0 -5.6 51 51 A D E >> S-C 55 0B 50 4,-0.7 3,-1.8 -3,-0.1 4,-0.6 -0.694 74.5-143.9 -86.6 123.1 9.2 6.9 -9.0 52 52 A G T 34 S+ 0 0 94 -2,-0.5 -1,-0.1 1,-0.3 -3,-0.0 0.399 92.9 80.9 -66.4 2.9 10.0 10.4 -10.2 53 53 A A T 34 S- 0 0 85 2,-0.1 -1,-0.3 -48,-0.0 -2,-0.0 0.378 113.9-110.7 -85.9 1.8 6.6 10.5 -11.7 54 54 A G T <4 + 0 0 43 -3,-1.8 -2,-0.2 1,-0.2 -5,-0.0 0.705 69.2 149.7 76.9 20.7 5.3 11.4 -8.2 55 55 A R E < -C 51 0B 77 -4,-0.6 -4,-0.7 -49,-0.0 -1,-0.2 -0.788 32.4-155.6 -94.3 108.8 3.6 8.0 -8.0 56 56 A P E + 0 0 8 0, 0.0 16,-3.4 0, 0.0 2,-0.3 -0.565 20.6 162.5 -79.5 147.2 3.4 6.7 -4.4 57 57 A W E -CD 48 71B 0 -9,-3.2 -9,-2.4 14,-0.3 2,-0.3 -0.979 13.7-170.4-159.2 156.4 3.1 3.0 -3.7 58 58 A b E - D 0 70B 0 12,-2.0 12,-2.8 -2,-0.3 2,-0.5 -0.835 33.6 -93.9-136.5 176.7 3.6 0.6 -0.8 59 59 A F E - D 0 69B 0 -40,-0.4 -40,-3.3 10,-0.3 2,-0.4 -0.867 38.8-155.5 -95.8 128.2 3.7 -3.1 -0.0 60 60 A Y E -BD 18 68B 53 8,-2.6 8,-1.9 -2,-0.5 2,-0.5 -0.815 4.6-152.1-104.1 143.3 0.4 -4.6 1.1 61 61 A R E - D 0 67B 130 -44,-1.8 6,-0.2 -2,-0.4 2,-0.2 -0.969 17.9-166.7-115.0 124.6 0.0 -7.7 3.1 62 62 A N > - 0 0 19 4,-2.2 3,-1.8 -2,-0.5 4,-0.1 -0.479 37.8 -98.9-105.8 176.8 -3.2 -9.7 2.7 63 63 A A T 3 S+ 0 0 111 1,-0.3 -1,-0.0 -2,-0.2 -2,-0.0 0.263 114.6 72.7 -82.8 12.9 -4.9 -12.4 4.5 64 64 A Q T 3 S- 0 0 145 2,-0.2 -1,-0.3 0, 0.0 3,-0.1 0.437 118.2-107.3 -96.6 -5.4 -3.5 -15.0 2.1 65 65 A G S < S+ 0 0 41 -3,-1.8 2,-0.2 1,-0.3 -2,-0.2 0.525 77.7 136.5 91.0 8.6 -0.1 -14.5 3.7 66 66 A K - 0 0 67 -4,-0.1 -4,-2.2 -38,-0.0 2,-0.4 -0.604 40.4-163.7 -95.1 151.2 1.1 -12.6 0.7 67 67 A V E +D 61 0B 9 -2,-0.2 -38,-0.8 -6,-0.2 -37,-0.7 -0.928 27.6 146.7-133.9 105.0 3.0 -9.4 0.6 68 68 A D E -D 60 0B 21 -8,-1.9 -8,-2.6 -2,-0.4 2,-0.3 -0.636 41.4-103.6-126.3-175.1 3.1 -7.6 -2.8 69 69 A W E +D 59 0B 24 -10,-0.3 2,-0.3 -2,-0.2 -10,-0.3 -0.872 30.5 178.7-120.2 151.9 3.2 -3.9 -3.8 70 70 A G E -D 58 0B 14 -12,-2.8 -12,-2.0 -2,-0.3 -57,-0.3 -0.996 33.5-101.4-151.6 146.9 0.6 -1.5 -5.2 71 71 A Y E -D 57 0B 83 -2,-0.3 2,-0.9 -14,-0.2 3,-0.4 -0.389 27.6-139.6 -67.6 139.2 0.3 2.1 -6.3 72 72 A c + 0 0 0 -16,-3.4 -1,-0.1 -60,-0.2 -15,-0.1 -0.597 65.2 112.8-103.0 71.5 -1.3 4.5 -3.7 73 73 A D S S- 0 0 1 -2,-0.9 -67,-0.3 -66,-0.1 -1,-0.2 0.470 72.9-132.3-115.4 -8.9 -3.5 6.7 -5.8 74 74 A a S S+ 0 0 13 -3,-0.4 -72,-0.1 -63,-0.2 -2,-0.1 0.676 101.1 29.8 61.0 17.6 -6.9 5.5 -4.5 75 75 A G S S+ 0 0 50 -4,-0.1 -1,-0.1 -72,-0.1 -71,-0.1 0.307 95.4 83.6 169.8 39.1 -7.9 5.2 -8.2 76 76 A Q 0 0 104 -5,-0.2 -5,-0.1 -72,-0.0 -63,-0.0 -0.157 360.0 360.0-144.3 42.2 -5.0 4.4 -10.5 77 77 A G 0 0 132 -7,-0.1 -64,-0.1 -4,-0.0 -5,-0.1 0.481 360.0 360.0-126.7 360.0 -4.7 0.7 -10.3