==== 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 23-JUN-08 2K51 . 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) . 5124.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 35 45.5 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 . 13 16.9 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 . 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-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 . 7 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 8 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 1.3 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+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 . 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 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 0 303 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 110.8 -11.1 12.2 -10.6 2 2 A a - 0 0 78 71,-0.0 2,-0.0 0, 0.0 72,-0.0 0.349 360.0 -51.7-156.2 -31.0 -10.0 10.4 -7.4 3 3 A G > - 0 0 23 71,-0.1 3,-1.3 3,-0.0 2,-0.9 0.053 45.4-124.0 140.7 101.6 -6.5 11.7 -6.5 4 4 A A T 3 S- 0 0 105 1,-0.3 69,-0.1 51,-0.0 70,-0.1 -0.546 102.1 -9.5 -70.0 103.3 -3.4 11.8 -8.7 5 5 A G T 3 S- 0 0 13 -2,-0.9 -1,-0.3 1,-0.2 68,-0.3 0.951 90.2-172.2 69.7 50.9 -0.9 9.8 -6.7 6 6 A E < - 0 0 85 -3,-1.3 2,-1.0 67,-0.5 7,-0.3 -0.685 14.9-151.8 -84.1 105.7 -3.2 9.7 -3.7 7 7 A P - 0 0 51 0, 0.0 5,-0.1 0, 0.0 3,-0.1 -0.659 7.8-168.3 -78.2 102.3 -1.3 8.2 -0.7 8 8 A W - 0 0 157 -2,-1.0 2,-0.6 3,-0.2 4,-0.1 0.415 39.6-118.1 -80.7 5.2 -4.1 6.7 1.3 9 9 A G S S- 0 0 14 1,-0.2 38,-1.7 63,-0.0 -1,-0.2 -0.864 78.9 -1.6 110.2-115.4 -1.7 6.2 4.2 10 10 A N S S+ 0 0 76 -2,-0.6 8,-2.9 36,-0.2 2,-0.3 -0.024 129.0 53.8-104.6 25.0 -0.9 2.7 5.5 11 11 A A E S-A 17 0A 15 6,-0.3 -3,-0.2 49,-0.1 2,-0.2 -0.957 91.1-105.9-154.2 140.7 -3.2 1.1 3.0 12 12 A T E >> -A 16 0A 7 4,-3.4 3,-2.8 -2,-0.3 4,-1.4 -0.488 33.9-123.9 -63.8 136.0 -3.6 1.2 -0.7 13 13 A N T 34 S+ 0 0 34 -7,-0.3 -1,-0.1 1,-0.3 59,-0.1 0.755 110.0 70.0 -57.0 -30.3 -6.7 3.3 -1.5 14 14 A L T 34 S- 0 0 129 2,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.721 129.1 -92.7 -57.7 -22.4 -8.1 0.3 -3.4 15 15 A G T <4 S+ 0 0 55 -3,-2.8 -2,-0.2 1,-0.2 -1,-0.1 0.800 84.8 122.3 112.9 43.4 -8.5 -1.2 0.0 16 16 A V E < -A 12 0A 38 -4,-1.4 -4,-3.4 46,-0.1 -1,-0.2 -0.971 57.6-118.8-137.2 122.6 -5.4 -3.3 0.9 17 17 A P E -A 11 0A 76 0, 0.0 44,-1.9 0, 0.0 -6,-0.3 -0.272 23.4-124.1 -66.6 137.1 -3.3 -2.6 4.1 18 18 A b B -B 60 0B 8 -8,-2.9 42,-0.3 42,-0.3 2,-0.2 -0.547 20.8-140.9 -77.5 139.5 0.4 -1.7 3.8 19 19 A L - 0 0 29 40,-3.6 27,-0.4 -2,-0.2 40,-0.4 -0.525 35.4 -81.9 -93.0 166.3 3.0 -3.8 5.6 20 20 A H > - 0 0 65 -2,-0.2 3,-1.4 25,-0.2 25,-0.3 -0.503 30.0-133.2 -76.3 140.2 6.1 -2.3 7.3 21 21 A W G > S+ 0 0 1 23,-2.3 3,-0.6 20,-0.6 21,-0.2 0.771 109.2 48.4 -65.0 -29.5 9.0 -1.6 5.1 22 22 A D G 3 S+ 0 0 115 20,-1.6 -1,-0.3 22,-0.4 20,-0.1 0.539 105.7 60.8 -85.5 -7.2 11.4 -3.3 7.6 23 23 A E G < S+ 0 0 111 -3,-1.4 -1,-0.2 19,-0.2 -2,-0.2 0.281 72.0 125.2-102.1 8.6 9.1 -6.3 7.7 24 24 A V < - 0 0 24 -3,-0.6 4,-0.1 -4,-0.1 -3,-0.0 -0.595 63.1-125.6 -70.9 118.0 9.4 -7.0 4.0 25 25 A P - 0 0 46 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 -0.270 10.4-121.9 -67.0 149.4 10.5 -10.7 3.8 26 26 A P S S+ 0 0 124 0, 0.0 2,-1.0 0, 0.0 -2,-0.0 0.763 108.0 65.9 -61.6 -27.4 13.6 -11.7 1.8 27 27 A F S S- 0 0 180 2,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.817 79.0-174.9 -97.3 93.8 11.3 -13.9 -0.3 28 28 A L - 0 0 49 -2,-1.0 40,-0.1 1,-0.1 3,-0.0 -0.729 22.7-153.9 -96.4 139.3 9.2 -11.3 -2.0 29 29 A E S S+ 0 0 100 38,-1.0 2,-0.4 -2,-0.4 39,-0.2 0.828 82.3 43.3 -84.4 -36.3 6.3 -12.3 -4.2 30 30 A R S S- 0 0 125 37,-0.7 -1,-0.1 0, 0.0 -2,-0.0 -0.914 82.9-128.8-109.0 142.9 6.3 -9.2 -6.4 31 31 A S - 0 0 79 -2,-0.4 38,-0.0 38,-0.1 -2,-0.0 -0.759 24.1-129.3 -90.3 127.4 9.4 -7.6 -7.8 32 32 A P - 0 0 31 0, 0.0 3,-0.0 0, 0.0 -1,-0.0 -0.397 19.6-115.9 -73.6 152.6 9.7 -3.8 -7.2 33 33 A P S S- 0 0 83 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 0.748 92.1 -18.4 -60.7 -25.8 10.5 -1.4 -10.1 34 34 A A S S- 0 0 66 0, 0.0 2,-0.2 0, 0.0 0, 0.0 -0.919 99.0 -49.7-161.5-178.4 13.8 -0.6 -8.4 35 35 A S - 0 0 105 -2,-0.3 3,-0.2 1,-0.1 0, 0.0 -0.461 41.4-166.7 -63.7 135.5 15.5 -0.7 -5.1 36 36 A W > + 0 0 45 -2,-0.2 3,-2.2 1,-0.1 4,-0.4 0.212 57.5 109.1-110.9 13.7 13.3 0.7 -2.4 37 37 A A G > S+ 0 0 43 1,-0.3 3,-1.1 2,-0.2 5,-0.2 0.868 78.9 54.3 -56.5 -35.4 16.0 1.0 0.3 38 38 A E G 3 S+ 0 0 148 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.219 77.7 90.4 -90.2 15.1 15.8 4.8 -0.1 39 39 A L G < S- 0 0 5 -3,-2.2 -1,-0.3 9,-0.1 -2,-0.2 0.771 79.2-160.5 -70.8 -28.0 12.1 4.9 0.5 40 40 A R < + 0 0 168 -3,-1.1 -2,-0.1 -4,-0.4 -3,-0.1 0.751 54.3 116.8 58.8 34.3 13.4 5.3 4.0 41 41 A G > + 0 0 0 1,-0.1 3,-1.4 3,-0.1 -20,-0.6 -0.022 30.5 135.9-113.3 31.2 10.3 4.3 5.8 42 42 A Q T 3 + 0 0 62 1,-0.3 -20,-1.6 -21,-0.2 -19,-0.2 0.865 65.9 48.4 -47.9 -58.9 12.0 1.3 7.4 43 43 A P T 3 S+ 0 0 112 0, 0.0 -1,-0.3 0, 0.0 2,-0.2 0.716 122.7 21.7 -59.3 -21.5 10.7 1.6 11.0 44 44 A H S < S- 0 0 77 -3,-1.4 -23,-2.3 -25,-0.1 -22,-0.4 -0.491 79.9-103.9-132.0-169.3 7.1 2.0 9.8 45 45 A N + 0 0 26 -25,-0.3 2,-0.2 -2,-0.2 -25,-0.2 -0.939 49.4 124.2-124.3 150.1 4.7 1.5 7.0 46 46 A F - 0 0 77 -27,-0.4 -36,-0.2 -2,-0.3 13,-0.2 -0.700 64.4 -74.8 166.0 144.9 3.4 4.1 4.5 47 47 A c - 0 0 2 -38,-1.7 2,-0.4 -2,-0.2 11,-0.3 -0.345 53.2-167.9 -52.1 129.7 3.1 4.8 0.7 48 48 A R B +C 57 0B 82 9,-3.3 9,-1.6 7,-0.1 24,-0.1 -0.983 20.2 156.1-130.5 135.9 6.6 5.9 -0.5 49 49 A S + 0 0 27 -2,-0.4 3,-0.1 7,-0.2 -10,-0.0 -0.648 11.4 162.6-161.6 102.1 7.7 7.4 -3.8 50 50 A P S S- 0 0 78 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 0.907 80.0 -17.7 -77.2 -47.5 10.8 9.5 -4.4 51 51 A D S S+ 0 0 135 4,-0.1 2,-0.5 2,-0.1 4,-0.2 -0.726 87.9 93.1-143.4-172.5 10.7 9.1 -8.2 52 52 A G S S- 0 0 81 -2,-0.2 -3,-0.0 -3,-0.1 -1,-0.0 -0.674 111.0 -19.0 120.4 -74.7 9.1 6.9 -10.8 53 53 A A S S- 0 0 67 -2,-0.5 -1,-0.1 2,-0.2 -2,-0.1 0.057 93.7 -93.6-154.3 25.9 5.9 8.6 -11.9 54 54 A G S S+ 0 0 69 1,-0.2 -2,-0.1 -49,-0.0 -5,-0.0 0.903 91.8 123.3 55.7 43.3 5.1 10.9 -9.1 55 55 A R - 0 0 71 -4,-0.2 -1,-0.2 -7,-0.1 -2,-0.2 -0.950 57.8-134.0-142.9 113.3 3.0 8.2 -7.6 56 56 A P + 0 0 21 0, 0.0 16,-3.3 0, 0.0 2,-0.3 -0.284 27.0 178.2 -65.9 149.4 3.4 6.7 -4.1 57 57 A W E -CD 48 71B 19 -9,-1.6 -9,-3.3 14,-0.3 2,-0.3 -0.984 8.9-169.3-148.1 156.2 3.4 3.0 -3.5 58 58 A b E - D 0 70B 0 12,-2.0 12,-2.9 -2,-0.3 2,-0.6 -0.899 32.8-102.7-135.7 169.5 3.8 0.5 -0.6 59 59 A F E - D 0 69B 0 -40,-0.4 -40,-3.6 -2,-0.3 2,-0.3 -0.883 43.2-162.7 -91.9 122.3 4.2 -3.1 0.0 60 60 A Y E -BD 18 68B 52 8,-3.4 8,-1.7 -2,-0.6 2,-0.5 -0.779 12.1-148.4-107.0 149.3 0.8 -4.5 1.1 61 61 A R E - D 0 67B 134 -44,-1.9 6,-0.2 -2,-0.3 2,-0.2 -0.981 17.8-154.4-116.9 126.8 0.1 -7.7 2.9 62 62 A N > - 0 0 31 4,-2.4 3,-2.0 -2,-0.5 -46,-0.1 -0.521 30.8-106.1 -99.0 168.4 -3.2 -9.4 2.1 63 63 A A T 3 S+ 0 0 114 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.199 114.8 68.5 -81.1 17.7 -5.3 -11.7 4.2 64 64 A Q T 3 S- 0 0 173 2,-0.2 -1,-0.3 0, 0.0 -3,-0.0 0.318 119.8-102.1-112.8 -0.2 -4.3 -14.5 1.9 65 65 A G S < S+ 0 0 37 -3,-2.0 2,-0.2 1,-0.3 -2,-0.1 0.403 78.9 128.2 102.1 -0.7 -0.7 -14.4 3.1 66 66 A K - 0 0 90 -38,-0.0 -4,-2.4 -37,-0.0 2,-0.5 -0.610 42.0-158.9 -95.2 151.6 0.9 -12.6 0.2 67 67 A V E +D 61 0B 7 -2,-0.2 -38,-1.0 -6,-0.2 -37,-0.7 -0.910 30.4 147.2-129.6 100.9 3.1 -9.5 0.4 68 68 A D E -D 60 0B 10 -8,-1.7 -8,-3.4 -2,-0.5 2,-0.3 -0.793 43.9-105.5-128.8 169.1 3.2 -7.5 -2.9 69 69 A W E -D 59 0B 37 -10,-0.3 2,-0.3 -2,-0.3 -10,-0.3 -0.725 33.1-175.2-102.1 151.3 3.6 -3.8 -3.7 70 70 A G E -D 58 0B 12 -12,-2.9 -12,-2.0 -2,-0.3 2,-0.3 -0.999 28.1-105.9-146.7 147.0 0.8 -1.6 -5.0 71 71 A Y E -D 57 0B 83 -2,-0.3 2,-1.4 -14,-0.2 5,-0.5 -0.533 20.2-141.8 -73.8 130.2 0.4 2.0 -6.2 72 72 A c S S+ 0 0 0 -16,-3.3 -1,-0.1 -2,-0.3 -63,-0.0 -0.715 73.2 97.8 -88.2 82.6 -1.3 4.5 -3.9 73 73 A D S S- 0 0 23 -2,-1.4 -67,-0.5 -68,-0.3 -1,-0.2 0.510 100.5 -65.5-129.1 -68.0 -3.2 6.3 -6.6 74 74 A a S S- 0 0 49 -3,-0.3 -2,-0.1 -69,-0.1 -71,-0.1 -0.005 100.5 -33.7 170.0 73.9 -6.8 5.0 -6.8 75 75 A G S S- 0 0 30 -4,-0.3 2,-0.8 1,-0.2 -3,-0.1 0.999 73.9-152.7 64.6 70.1 -7.1 1.4 -7.9 76 76 A Q 0 0 90 -5,-0.5 -5,-0.2 1,-0.2 -1,-0.2 -0.650 360.0 360.0 -82.4 107.7 -4.2 1.3 -10.3 77 77 A G 0 0 137 -2,-0.8 -1,-0.2 0, 0.0 -2,-0.1 0.408 360.0 360.0-151.7 360.0 -4.8 -1.3 -12.9