==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(SERINE PROTEINASE) 03-JUN-87 1TON . COMPND 2 MOLECULE: TONIN; . SOURCE 2 ORGANISM_SCIENTIFIC: RATTUS RATTUS; . AUTHOR M.FUJINAGA,M.N.G.JAMES . 227 2 5 4 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10581.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 61.2 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 . 68 30.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 19 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 27 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 4.4 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 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 . 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 6 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 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 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 16 A I 0 0 2 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 118.4 -10.0 26.5 43.9 2 17 A V B +A 174 0A 8 172,-2.9 172,-1.6 1,-0.2 126,-0.1 -0.894 360.0 5.2 -97.1 131.6 -7.2 25.0 46.0 3 18 A G S S+ 0 0 50 -2,-0.5 -1,-0.2 124,-0.4 2,-0.1 0.576 103.0 114.3 70.9 20.3 -3.8 26.7 45.7 4 19 A G - 0 0 27 -3,-0.3 137,-0.3 170,-0.1 2,-0.3 -0.194 57.9-118.6-105.3-168.0 -5.0 29.7 43.6 5 20 A Y E -B 140 0B 109 135,-3.5 135,-4.1 -3,-0.1 2,-0.3 -0.808 37.7 -76.6-127.8 171.4 -5.2 33.4 44.2 6 21 A K E -B 139 0B 118 -2,-0.3 133,-0.3 133,-0.3 2,-0.1 -0.581 50.6-122.4 -71.7 126.9 -8.0 36.0 44.3 7 22 A a - 0 0 14 131,-2.4 3,-0.1 -2,-0.3 131,-0.1 -0.468 34.2 -99.0 -67.3 149.4 -9.0 37.0 40.8 8 23 A E > - 0 0 150 1,-0.2 3,-1.5 -2,-0.1 4,-0.3 -0.308 58.0 -75.8 -68.2 149.7 -8.7 40.7 40.0 9 24 A K T 3 S- 0 0 138 1,-0.3 -1,-0.2 2,-0.1 43,-0.1 -0.247 111.8 -10.1 -53.1 128.9 -11.9 42.6 40.3 10 25 A N T 3 S+ 0 0 52 -3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.818 92.6 128.7 48.2 45.3 -14.2 42.0 37.4 11 26 A S S < S+ 0 0 45 -3,-1.5 -2,-0.1 1,-0.2 -1,-0.1 0.515 74.0 46.1-100.1 -9.4 -11.4 40.1 35.4 12 27 A Q > + 0 0 29 -4,-0.3 3,-2.5 1,-0.1 -1,-0.2 -0.519 67.3 163.6-129.3 63.1 -13.7 37.1 34.8 13 28 A P T 3 S+ 0 0 13 0, 0.0 91,-0.9 0, 0.0 37,-0.4 0.612 73.2 57.1 -58.5 -19.6 -17.0 38.9 33.7 14 29 A W T 3 S+ 0 0 51 89,-0.2 14,-2.6 91,-0.1 2,-0.5 0.438 82.4 105.9 -89.6 -7.2 -18.4 35.7 32.2 15 30 A Q E < +I 27 0C 5 -3,-2.5 35,-0.4 12,-0.2 36,-0.4 -0.668 49.5 179.4 -75.3 128.8 -18.1 33.8 35.5 16 31 A V E -I 26 0C 0 10,-2.0 10,-1.2 -2,-0.5 2,-0.5 -0.795 27.3-127.3-122.7 164.0 -21.5 33.3 37.3 17 32 A A E -IJ 25 48C 0 31,-2.4 31,-2.9 -2,-0.3 2,-0.6 -0.958 19.6-157.8-110.4 126.8 -22.5 31.6 40.5 18 33 A V E -IJ 24 47C 0 6,-2.4 6,-1.7 -2,-0.5 2,-0.4 -0.978 17.6-170.9-106.9 119.2 -25.3 29.0 40.1 19 34 A I E +IJ 23 46C 53 27,-2.5 27,-1.4 -2,-0.6 2,-0.2 -0.938 32.1 110.2-128.4 135.7 -27.2 28.5 43.4 20 35 A N S S- 0 0 29 2,-1.6 25,-0.1 -2,-0.4 21,-0.1 -0.496 100.2 -32.7-158.1-133.8 -29.8 26.0 44.6 21 39 A E S S+ 0 0 120 23,-0.2 2,-0.3 -2,-0.2 24,-0.1 0.471 136.0 56.0 -79.0 -0.7 -29.0 23.3 47.2 22 40 A Y S S- 0 0 130 18,-0.2 -2,-1.6 156,-0.0 2,-0.5 -0.917 80.1-132.6-124.7 153.0 -25.5 23.3 45.6 23 41 A L E +I 19 0C 35 -2,-0.3 2,-0.3 -4,-0.2 157,-0.2 -0.911 40.9 162.5 -98.5 132.6 -22.9 26.0 44.9 24 42 A b E -I 18 0C 5 -6,-1.7 -6,-2.4 -2,-0.5 2,-0.2 -0.924 35.9-123.0-143.0 164.3 -21.7 25.8 41.3 25 43 A G E -I 17 0C 0 155,-2.9 12,-0.5 -2,-0.3 2,-0.3 -0.571 28.9-174.2 -97.8 171.5 -19.9 28.0 38.8 26 44 A G E -I 16 0C 0 -10,-1.2 -10,-2.0 -2,-0.2 2,-0.4 -0.881 15.9-133.0-157.9 167.7 -21.5 28.8 35.4 27 45 A V E -IK 15 35C 0 8,-2.1 8,-2.6 -2,-0.3 2,-0.7 -0.978 14.5-129.8-140.7 127.3 -20.3 30.6 32.3 28 46 A L E + K 0 34C 0 -14,-2.6 78,-2.3 -2,-0.4 6,-0.2 -0.630 35.7 159.0 -79.5 116.5 -22.1 33.3 30.3 29 47 A I E S+ 0 0 18 4,-1.9 5,-0.2 -2,-0.7 -1,-0.2 0.515 72.5 10.6-114.0 -8.9 -22.1 32.4 26.6 30 48 A D E > S- K 0 33C 63 3,-1.3 3,-1.1 74,-0.1 -1,-0.4 -0.919 82.2-104.8-164.8 150.4 -25.1 34.6 25.7 31 49 A P T 3 S+ 0 0 42 0, 0.0 66,-2.9 0, 0.0 64,-0.1 0.806 127.1 36.1 -49.2 -28.4 -27.0 37.3 27.5 32 50 A S T 3 S+ 0 0 21 64,-0.2 61,-2.9 1,-0.1 2,-0.4 0.511 110.6 64.7-108.1 -1.5 -29.6 34.5 27.7 33 51 A W E < -KL 30 92C 7 -3,-1.1 -4,-1.9 59,-0.2 -3,-1.3 -0.976 48.7-172.8-131.2 140.7 -27.6 31.3 28.3 34 52 A V E -KL 28 91C 0 57,-2.4 57,-2.7 -2,-0.4 2,-0.4 -0.979 14.4-149.0-127.5 130.0 -25.3 29.9 31.0 35 53 A I E +KL 27 90C 0 -8,-2.6 -8,-2.1 -2,-0.4 2,-0.3 -0.828 32.5 149.0 -99.2 142.8 -23.4 26.7 30.6 36 54 A T E - L 0 89C 0 53,-2.0 53,-2.5 -2,-0.4 2,-0.3 -0.833 49.0 -68.9-153.1-176.3 -22.7 24.8 33.8 37 55 A A > - 0 0 0 -12,-0.5 3,-1.4 -2,-0.3 51,-0.3 -0.614 32.3-130.1 -88.6 149.1 -22.3 21.2 35.0 38 56 A A G > S+ 0 0 1 1,-0.3 3,-1.8 -2,-0.3 -1,-0.1 0.793 103.9 73.6 -65.2 -27.7 -25.2 18.7 34.9 39 57 A H G 3 S+ 0 0 50 1,-0.3 -1,-0.3 45,-0.1 156,-0.0 0.602 87.3 62.5 -55.7 -26.7 -24.3 17.8 38.5 40 58 A b G < S+ 0 0 0 -3,-1.4 -1,-0.3 2,-0.1 -18,-0.2 0.169 76.2 139.5 -87.9 9.4 -25.8 21.2 39.6 41 59 A Y < + 0 0 102 -3,-1.8 2,-0.3 -21,-0.1 3,-0.1 -0.352 20.0 145.2 -61.8 135.4 -29.2 20.1 38.3 42 60 A S - 0 0 6 1,-0.1 -2,-0.1 -2,-0.1 3,-0.0 -0.944 62.1-102.9-161.2 168.4 -32.1 21.1 40.5 43 61 A N S S+ 0 0 142 -2,-0.3 2,-0.3 1,-0.1 -1,-0.1 0.928 104.8 24.9 -67.4 -43.1 -35.7 22.3 40.3 44 63 A N - 0 0 96 -3,-0.1 2,-0.3 21,-0.0 -23,-0.2 -0.763 62.2-179.7-126.6 168.3 -34.6 25.8 41.0 45 64 A Y - 0 0 8 -2,-0.3 21,-0.4 21,-0.1 2,-0.4 -0.980 19.1-149.8-153.0 159.6 -31.6 28.2 40.7 46 65 A Q E -J 19 0C 68 -27,-1.4 -27,-2.5 -2,-0.3 2,-0.6 -0.982 23.3-149.4-132.7 123.8 -30.5 31.8 41.4 47 66 A V E -JM 18 64C 0 17,-3.1 17,-2.8 -2,-0.4 2,-0.5 -0.946 7.0-160.3-106.5 124.4 -27.9 33.0 39.0 48 67 A L E +JM 17 63C 30 -31,-2.9 -31,-2.4 -2,-0.6 2,-0.3 -0.921 14.4 177.7-103.4 123.5 -25.4 35.6 40.2 49 68 A L E + M 0 62C 0 13,-2.8 13,-2.7 -2,-0.5 -33,-0.1 -0.843 55.7 26.1-121.6 159.5 -23.6 37.7 37.7 50 69 A G S S+ 0 0 3 -35,-0.4 10,-0.5 -37,-0.4 2,-0.3 0.707 86.8 137.4 66.0 28.9 -21.0 40.5 37.9 51 70 A R + 0 0 45 -36,-0.4 -1,-0.2 -3,-0.2 3,-0.1 -0.775 34.4 167.7-114.3 152.0 -19.7 39.4 41.3 52 71 A N S S+ 0 0 16 1,-0.4 86,-1.7 -2,-0.3 2,-0.6 0.608 85.4 41.0-112.9 -56.9 -16.2 39.1 42.9 53 72 A N B > S-O 137 0D 19 84,-0.2 3,-1.1 1,-0.1 -1,-0.4 -0.883 72.7-152.8 -99.9 119.6 -17.4 38.7 46.5 54 73 A L T 3 S+ 0 0 24 82,-3.1 -1,-0.1 -2,-0.6 83,-0.1 0.698 95.1 42.9 -63.3 -27.9 -20.4 36.4 46.8 55 74 A F T 3 S+ 0 0 117 81,-0.1 2,-0.3 2,-0.1 -1,-0.3 -0.271 98.9 95.9-114.6 45.5 -21.5 38.1 50.0 56 75 A K S < S- 0 0 105 -3,-1.1 2,-1.2 80,-0.1 -4,-0.1 -0.929 79.1-108.6-135.8 158.1 -20.9 41.8 49.1 57 77 A D + 0 0 171 -2,-0.3 -3,-0.1 2,-0.0 -2,-0.1 -0.746 52.6 178.0 -86.5 99.1 -22.8 44.8 47.8 58 78 A E > - 0 0 18 -2,-1.2 3,-0.6 -5,-0.1 -7,-0.0 -0.811 33.2-135.8-109.8 146.7 -21.3 45.0 44.3 59 79 A P T 3 S+ 0 0 115 0, 0.0 -8,-0.1 0, 0.0 -1,-0.1 0.787 103.1 40.8 -71.6 -37.9 -22.0 47.4 41.5 60 79AA F T 3 S+ 0 0 68 -10,-0.5 -9,-0.1 41,-0.1 42,-0.1 0.366 86.4 136.4 -93.2 6.6 -22.2 45.1 38.5 61 80 A A < + 0 0 37 -3,-0.6 2,-0.3 -11,-0.1 -11,-0.2 -0.248 26.7 171.7 -56.9 132.7 -24.1 42.5 40.6 62 81 A Q E -M 49 0C 19 -13,-2.7 -13,-2.8 2,-0.0 2,-0.4 -0.972 18.9-156.6-137.8 154.2 -27.0 40.9 38.8 63 82 A R E -M 48 0C 132 -2,-0.3 2,-0.3 -15,-0.2 -15,-0.2 -0.999 13.4-175.9-135.0 131.5 -29.3 38.1 39.6 64 83 A R E -M 47 0C 22 -17,-2.8 -17,-3.1 -2,-0.4 2,-0.2 -0.922 17.2-137.8-124.9 155.8 -31.3 36.1 37.1 65 84 A L - 0 0 78 -2,-0.3 29,-3.4 -19,-0.2 30,-0.5 -0.640 24.8-119.2-101.0 163.8 -33.8 33.3 37.3 66 85 A V E -N 93 0C 30 -21,-0.4 27,-0.3 27,-0.3 -21,-0.1 -0.851 19.8-173.2-106.5 141.5 -33.8 30.3 35.0 67 86 A R E S- 0 0 192 25,-3.6 2,-0.3 1,-0.4 26,-0.2 0.757 74.3 -1.5 -97.8 -36.8 -36.7 29.5 32.7 68 87 A Q E -N 92 0C 95 24,-1.2 24,-3.0 2,-0.0 -1,-0.4 -0.980 58.7-150.6-160.3 141.9 -35.5 26.1 31.6 69 88 A S E -N 91 0C 25 -2,-0.3 2,-0.4 22,-0.2 22,-0.2 -0.930 5.2-163.2-119.5 144.5 -32.5 23.8 32.0 70 89 A F E -N 90 0C 36 20,-2.6 20,-3.2 -2,-0.4 2,-0.3 -0.965 5.4-162.3-133.1 106.8 -31.1 21.3 29.5 71 90 A R E -N 89 0C 90 -2,-0.4 18,-0.3 18,-0.3 16,-0.1 -0.657 41.3 -93.5 -85.7 144.6 -28.8 18.6 30.8 72 91 A H > - 0 0 22 16,-3.2 3,-1.6 14,-0.4 -1,-0.1 -0.403 37.8-123.3 -59.5 137.8 -26.7 16.9 28.1 73 92 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.725 106.6 52.6 -50.4 -35.5 -28.7 13.8 27.0 74 93 A D T 3 S+ 0 0 99 12,-0.1 2,-0.5 2,-0.1 11,-0.1 0.291 78.1 117.1 -90.7 -1.8 -25.9 11.3 27.8 75 94 A Y < - 0 0 19 -3,-1.6 11,-0.1 11,-0.2 9,-0.1 -0.659 54.0-152.9 -70.9 131.7 -25.3 12.5 31.3 76 95 A I - 0 0 53 -2,-0.5 7,-0.6 9,-0.4 9,-0.1 -0.930 19.6-131.4-105.8 110.3 -26.0 9.7 33.8 77 95AA P 0 0 65 0, 0.0 5,-0.1 0, 0.0 -38,-0.0 -0.035 360.0 360.0 -62.6 149.3 -27.1 11.2 37.1 78 95BA L 0 0 171 3,-0.1 3,-0.1 4,-0.1 5,-0.0 -0.809 360.0 360.0 -70.6 360.0 -25.7 10.2 40.5 79 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 80 95KA P 0 0 158 0, 0.0 2,-0.6 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 123.2 -26.9 2.8 35.8 81 96 A V - 0 0 128 -3,-0.1 2,-0.1 1,-0.1 -5,-0.1 -0.510 360.0-136.8 -77.7 119.7 -23.4 3.9 36.7 82 97 A H + 0 0 41 -2,-0.6 2,-0.3 -5,-0.1 -4,-0.1 -0.448 29.7 167.6 -65.3 134.2 -22.8 7.6 37.0 83 98 A D - 0 0 40 -7,-0.6 -7,-0.3 2,-0.2 -5,-0.0 -0.782 45.3-109.5-141.5-179.3 -19.6 9.0 35.6 84 99 A H S > S+ 0 0 59 -2,-0.3 3,-0.9 69,-0.1 2,-0.1 0.305 76.4 116.6-102.1 13.9 -18.4 12.5 34.8 85 100 A S T 3 S+ 0 0 8 1,-0.2 -9,-0.4 -11,-0.1 -2,-0.2 -0.468 81.7 15.4 -78.1 143.8 -18.6 12.3 31.0 86 101 A N T 3 S+ 0 0 21 76,-0.3 2,-2.3 1,-0.2 -14,-0.4 0.717 77.0 162.6 65.4 25.7 -21.1 14.6 29.4 87 102 A D < + 0 0 2 -3,-0.9 2,-0.4 106,-0.1 124,-0.2 -0.507 29.7 123.9 -76.0 74.1 -21.4 16.7 32.6 88 103 A L + 0 0 0 -2,-2.3 -16,-3.2 -51,-0.3 2,-0.3 -0.994 33.1 175.7-139.7 140.9 -22.9 19.7 30.8 89 104 A M E -LN 36 71C 0 -53,-2.5 -53,-2.0 -2,-0.4 2,-0.4 -0.959 18.6-144.0-146.7 133.8 -26.1 21.6 31.4 90 105 A L E -LN 35 70C 0 -20,-3.2 -20,-2.6 -2,-0.3 2,-0.5 -0.758 10.0-156.8 -99.3 134.7 -27.5 24.7 29.7 91 106 A L E -LN 34 69C 0 -57,-2.7 -57,-2.4 -2,-0.4 2,-0.7 -0.976 4.4-154.0-112.3 118.0 -29.5 27.3 31.7 92 107 A H E -LN 33 68C 20 -24,-3.0 -25,-3.6 -2,-0.5 -24,-1.2 -0.888 26.6-128.3 -92.0 110.9 -31.9 29.5 29.7 93 108 A L E - 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