==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-OCT-09 3A8B . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.YAMANE,M.YAO,I.TANAKA . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9232.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 60.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 30.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.9 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 . 4 1.8 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 . 14 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.7 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 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 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 . 3 2 2 5 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 0 1 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 19 A I 0 0 2 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 121.1 -8.0 -8.6 14.5 2 20 A V B +A 171 0A 10 169,-3.0 169,-1.9 1,-0.2 123,-0.1 -0.860 360.0 4.8-101.1 131.1 -10.3 -9.4 17.5 3 21 A G S S+ 0 0 46 121,-0.5 -1,-0.2 -2,-0.5 2,-0.1 0.742 102.9 119.2 72.2 24.5 -12.0 -6.5 19.3 4 22 A G - 0 0 35 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.052 57.5-108.0-100.8-156.1 -10.8 -3.8 16.9 5 23 A Y E -B 137 0B 95 132,-2.7 132,-3.0 -3,-0.1 2,-0.5 -0.930 34.0 -89.7-137.5 158.4 -12.4 -1.3 14.6 6 24 A T E -B 136 0B 75 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.594 37.2-151.4 -67.9 119.7 -12.9 -0.8 10.9 7 25 A a - 0 0 18 128,-2.2 -1,-0.2 -2,-0.5 129,-0.1 0.917 34.9-112.3 -61.0 -45.3 -9.9 1.3 9.9 8 26 A G > - 0 0 25 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 -0.015 47.4 -59.0 108.1 135.5 -11.5 3.2 7.0 9 27 A A T 3 S- 0 0 53 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.214 117.8 -10.3 -53.3 124.5 -10.5 2.7 3.3 10 28 A N T 3 S+ 0 0 25 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.640 91.8 125.9 63.2 21.5 -6.8 3.4 2.7 11 29 A T S < S+ 0 0 86 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.516 74.7 49.7 -83.0 -9.0 -6.2 5.0 6.1 12 30 A V S > S+ 0 0 7 -4,-0.3 3,-1.9 87,-0.1 -1,-0.2 -0.727 74.7 175.5-125.6 75.9 -3.3 2.5 6.6 13 31 A P T 3 S+ 0 0 30 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.592 72.8 55.0 -71.3 -12.6 -1.5 3.2 3.3 14 32 A Y T 3 S+ 0 0 19 86,-0.2 15,-2.5 88,-0.1 2,-0.4 0.485 82.3 108.7 -92.9 -9.5 1.6 1.0 4.1 15 33 A Q E < -J 28 0C 5 -3,-1.9 37,-0.4 13,-0.2 36,-0.4 -0.582 49.5-174.8 -71.0 125.0 -0.6 -2.1 4.8 16 34 A V E -J 27 0C 2 11,-2.4 11,-1.2 -2,-0.4 2,-0.5 -0.836 20.2-139.0-116.3 158.1 -0.4 -4.8 2.1 17 35 A S E -JK 26 49C 0 32,-2.3 32,-2.9 -2,-0.3 2,-0.5 -0.967 14.9-143.1-111.0 131.2 -2.2 -8.0 1.5 18 36 A L E -JK 25 48C 0 7,-3.0 6,-2.5 -2,-0.5 7,-0.9 -0.872 23.2-168.0 -95.0 127.2 -0.1 -11.0 0.3 19 37 A N E +JK 23 47C 23 28,-2.9 28,-2.6 -2,-0.5 4,-0.2 -0.972 30.0 167.3-127.4 125.4 -2.2 -13.0 -2.2 20 38 A S S S- 0 0 30 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.311 97.8 -46.1-122.6 45.3 -1.5 -16.5 -3.6 21 39 A G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.132 141.3 27.2 104.5 -15.0 -5.0 -17.0 -5.1 22 40 A Y S S- 0 0 133 -4,-0.0 -2,-2.2 0, 0.0 2,-0.3 -0.940 102.8 -81.3-166.7 154.0 -6.4 -15.7 -1.7 23 41 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.545 51.2 158.8 -63.0 131.2 -5.2 -13.4 1.1 24 42 A F E + 0 0 34 -6,-2.5 2,-0.3 1,-0.4 151,-0.2 0.482 58.7 4.6-130.5 -10.5 -2.9 -15.4 3.4 25 43 A b E -J 18 0C 6 -7,-0.9 -7,-3.0 151,-0.1 -1,-0.4 -0.975 60.8-123.3-165.6 155.7 -0.8 -12.7 5.2 26 44 A G E +J 17 0C 0 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.431 27.6 178.3 -92.2 178.4 -0.3 -9.0 5.7 27 45 A G E -J 16 0C 0 -11,-1.2 -11,-2.4 -2,-0.1 2,-0.4 -0.951 25.2-115.1-166.8 174.4 2.9 -7.0 5.2 28 46 A S E -JL 15 36C 0 8,-2.5 8,-2.8 -2,-0.3 2,-0.5 -0.986 20.4-131.2-127.7 128.2 4.3 -3.5 5.4 29 47 A L E + L 0 35C 0 -15,-2.5 74,-2.4 -2,-0.4 6,-0.2 -0.665 27.5 173.6 -77.4 124.3 5.5 -1.4 2.4 30 48 A I E - 0 0 20 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.587 66.7 -7.6-112.9 -16.1 8.9 0.1 3.4 31 49 A N E > S- L 0 34C 52 3,-1.3 3,-0.9 70,-0.1 -1,-0.3 -0.925 90.7 -76.8-158.9-177.1 9.8 1.6 0.0 32 50 A S T 3 S+ 0 0 45 -2,-0.3 62,-3.2 1,-0.2 60,-0.1 0.711 128.4 26.9 -60.1 -20.0 8.5 1.6 -3.5 33 51 A Q T 3 S+ 0 0 59 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.401 110.3 71.0-122.1 3.3 9.9 -1.9 -4.2 34 52 A W E < -LM 31 89C 8 -3,-0.9 -4,-2.5 55,-0.2 -3,-1.3 -0.980 47.8-169.9-135.9 137.5 10.1 -3.7 -0.9 35 53 A V E -LM 29 88C 0 53,-2.7 53,-2.7 -2,-0.4 2,-0.5 -0.951 14.1-145.4-120.2 139.3 7.7 -5.2 1.7 36 54 A V E +LM 28 87C 0 -8,-2.8 -8,-2.5 -2,-0.4 2,-0.2 -0.904 33.6 150.4 -99.7 130.9 8.5 -6.5 5.2 37 55 A S E - M 0 86C 0 49,-2.8 49,-2.2 -2,-0.5 2,-0.3 -0.754 49.0 -70.9-139.3-170.4 6.4 -9.5 6.4 38 56 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.700 33.2-130.6 -86.3 143.0 6.8 -12.5 8.8 39 57 A A G > S+ 0 0 2 -2,-0.3 3,-2.2 1,-0.3 -1,-0.1 0.833 108.6 65.0 -57.1 -33.9 9.1 -15.3 7.8 40 58 A H G 3 S+ 0 0 61 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.603 91.8 65.7 -70.0 -6.9 6.3 -17.8 8.6 41 59 A b G < S+ 0 0 3 -3,-1.7 -1,-0.3 -15,-0.0 -2,-0.2 0.438 76.0 129.9 -85.5 -2.7 4.4 -16.1 5.7 42 60 A Y < + 0 0 138 -3,-2.2 2,-0.3 -4,-0.1 -3,-0.0 -0.288 22.1 129.9 -58.9 132.8 7.0 -17.5 3.2 43 61 A K - 0 0 54 3,-0.0 3,-0.3 0, 0.0 2,-0.1 -0.934 53.4-100.1-163.7 169.6 5.7 -19.3 0.2 44 62 A S S S+ 0 0 98 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.483 94.4 42.6 -87.3 165.5 6.2 -19.2 -3.6 45 63 A G S S+ 0 0 67 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.867 73.6 171.7 73.7 40.1 3.8 -17.4 -6.0 46 64 A I - 0 0 9 -3,-0.3 21,-2.8 21,-0.1 2,-0.5 -0.697 19.1-168.1 -87.8 129.1 3.2 -14.3 -4.0 47 65 A Q E -KN 19 66C 50 -28,-2.6 -28,-2.9 -2,-0.4 2,-0.5 -0.980 18.0-140.6-107.7 128.0 1.3 -11.3 -5.5 48 66 A V E -KN 18 65C 0 17,-3.0 17,-2.6 -2,-0.5 2,-0.6 -0.757 13.1-159.0 -87.8 127.8 1.5 -8.1 -3.4 49 67 A R E -KN 17 64C 50 -32,-2.9 -32,-2.3 -2,-0.5 3,-0.3 -0.936 13.0-177.9-114.5 113.4 -1.7 -6.2 -3.2 50 68 A L E + N 0 63C 2 13,-3.1 13,-2.0 -2,-0.6 -34,-0.1 -0.671 60.6 32.0-105.7 161.5 -1.4 -2.5 -2.3 51 69 A G S S+ 0 0 5 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.723 84.5 158.9 65.5 23.9 -4.1 0.1 -1.8 52 70 A E + 0 0 8 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.561 21.7 148.8 -81.5 138.7 -6.5 -2.5 -0.5 53 71 A D S S+ 0 0 15 1,-0.3 2,-0.8 4,-0.3 -1,-0.1 0.316 80.9 28.7-117.1 -83.4 -9.6 -2.0 1.7 54 72 A N S > S- 0 0 26 80,-0.2 3,-1.2 1,-0.2 -1,-0.3 -0.650 73.1-161.5 -75.3 112.1 -12.1 -4.6 0.8 55 73 A I T 3 S+ 0 0 29 78,-2.4 -1,-0.2 -2,-0.8 79,-0.1 0.619 86.9 54.0 -75.0 -8.2 -9.9 -7.5 -0.4 56 74 A N T 3 S+ 0 0 127 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.486 105.9 56.4 -98.5 -6.1 -12.8 -9.2 -2.2 57 75 A V S < S- 0 0 76 -3,-1.2 2,-0.8 76,-0.1 -4,-0.3 -0.988 77.9-127.9-131.5 134.6 -13.8 -6.2 -4.3 58 76 A V + 0 0 112 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.735 33.7 172.5 -80.6 110.7 -11.9 -4.0 -6.8 59 77 A E - 0 0 98 -2,-0.8 -1,-0.2 -5,-0.2 -4,-0.0 0.560 50.9-100.1-103.4 -13.6 -12.6 -0.6 -5.4 60 78 A G S S+ 0 0 61 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.259 103.9 75.8 119.1 -10.7 -10.2 1.5 -7.6 61 79 A N + 0 0 71 -10,-0.3 -9,-0.1 38,-0.0 2,-0.1 0.343 67.5 118.5-110.0 6.3 -7.1 2.3 -5.6 62 80 A E - 0 0 31 -13,-0.0 2,-0.4 2,-0.0 -11,-0.3 -0.333 42.6-164.9 -73.0 151.4 -5.4 -1.1 -5.7 63 81 A Q E -N 50 0C 38 -13,-2.0 -13,-3.1 -2,-0.1 2,-0.6 -0.983 7.7-161.6-129.0 126.8 -2.0 -2.0 -7.2 64 82 A F E +N 49 0C 77 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.954 18.0 169.0-108.6 117.9 -1.4 -5.7 -7.8 65 83 A I E -N 48 0C 15 -17,-2.6 -17,-3.0 -2,-0.6 2,-0.1 -0.991 28.9-130.2-138.3 121.6 2.3 -6.5 -8.3 66 84 A S E -N 47 0C 53 -2,-0.4 25,-2.8 -19,-0.3 26,-0.3 -0.393 29.2-110.6 -68.9 146.2 3.9 -9.9 -8.3 67 85 A A E -O 90 0C 20 -21,-2.8 23,-0.3 23,-0.2 3,-0.1 -0.568 20.9-165.2 -74.3 138.9 6.9 -10.6 -6.1 68 86 A S E S- 0 0 55 21,-2.7 2,-0.3 1,-0.4 22,-0.2 0.666 73.1 -5.3 -92.6 -23.2 10.3 -11.1 -7.9 69 87 A K E -O 89 0C 78 20,-1.1 20,-2.7 2,-0.0 2,-0.4 -0.964 56.0-148.0-165.7 150.6 12.0 -12.6 -4.8 70 88 A S E -O 88 0C 40 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.971 9.3-161.6-123.1 144.1 11.5 -13.3 -1.2 71 89 A I E -O 87 0C 38 16,-3.1 16,-2.5 -2,-0.4 2,-0.3 -0.931 5.8-160.4-128.2 103.7 14.3 -13.2 1.4 72 90 A V E -O 86 0C 47 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.628 40.4 -90.8 -79.1 140.8 13.7 -15.0 4.7 73 91 A H > - 0 0 24 12,-2.4 3,-2.0 -2,-0.3 -1,-0.1 -0.237 33.3-127.4 -51.9 134.3 16.0 -14.0 7.6 74 92 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.785 107.7 44.4 -58.7 -25.2 19.0 -16.2 7.6 75 93 A S T 3 S+ 0 0 72 8,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.218 78.4 138.6-106.2 12.7 18.5 -17.1 11.3 76 94 A Y < - 0 0 54 -3,-2.0 2,-0.6 9,-0.1 7,-0.2 -0.415 35.7-162.3 -61.3 127.0 14.7 -17.7 11.2 77 95 A N > - 0 0 66 5,-2.2 4,-2.1 -2,-0.2 5,-0.5 -0.967 7.0-161.9-113.4 112.5 13.8 -20.7 13.3 78 96 A S T 4 S+ 0 0 80 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.681 88.1 53.8 -70.7 -18.1 10.3 -22.0 12.3 79 97 A N T 4 S+ 0 0 150 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.931 123.8 22.8 -79.0 -47.7 10.0 -24.0 15.6 80 98 A T T 4 S- 0 0 72 2,-0.1 -2,-0.2 76,-0.0 77,-0.1 0.590 97.2-132.5 -92.9 -13.7 10.7 -21.1 18.1 81 99 A L >< + 0 0 33 -4,-2.1 3,-0.8 1,-0.2 2,-0.2 0.621 48.3 159.7 61.6 18.3 9.7 -18.3 15.6 82 100 A N T 3 + 0 0 38 -5,-0.5 -5,-2.2 1,-0.2 -1,-0.2 -0.517 66.6 16.1 -66.1 137.0 12.9 -16.5 16.5 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.2 -2,-0.2 -1,-0.2 0.905 79.4 179.9 63.2 46.1 13.8 -14.0 13.8 84 102 A D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.479 36.5 113.5 -80.9 75.0 10.3 -14.1 12.2 85 103 A I + 0 0 0 -2,-2.2 -12,-2.4 -47,-0.3 2,-0.3 -0.997 35.8 173.6-149.2 142.7 11.0 -11.6 9.4 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.8 -2,-0.3 2,-0.4 -0.985 20.9-137.3-148.5 152.7 11.2 -11.7 5.7 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-3.1 -2,-0.3 2,-0.4 -0.907 13.4-163.1-111.0 141.3 11.6 -9.2 2.8 88 106 A I E -MO 35 70C 0 -53,-2.7 -53,-2.7 -2,-0.4 2,-0.4 -0.994 7.6-150.7-126.2 126.3 9.6 -9.4 -0.4 89 107 A K E -MO 34 69C 36 -20,-2.7 -21,-2.7 -2,-0.4 -20,-1.1 -0.828 14.7-130.8 -98.9 136.1 10.7 -7.5 -3.5 90 108 A L E - 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0 0 28 -88,-1.5 -72,-0.3 -2,-0.4 2,-0.1 -0.986 43.5-113.4-145.7 146.7 2.7 4.9 1.0 102 120 A S - 0 0 58 -2,-0.3 2,-0.4 -72,-0.1 -72,-0.3 -0.431 25.8-132.7 -76.8 156.0 5.8 3.5 2.7 103 121 A I - 0 0 14 -74,-2.4 83,-0.1 -89,-0.2 2,-0.0 -0.937 25.3-113.0-108.9 134.8 6.3 3.3 6.5 104 122 A S B -c 186 0B 65 81,-0.6 83,-2.8 -2,-0.4 3,-0.1 -0.342 24.3-124.2 -63.2 141.1 9.6 4.4 8.1 105 123 A L - 0 0 31 81,-0.2 83,-0.1 -75,-0.2 -1,-0.1 -0.508 40.9 -93.8 -75.4 153.5 11.9 1.9 9.8 106 124 A P - 0 0 6 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.368 20.5-158.8 -71.6 152.3 12.7 2.7 13.4 107 125 A T S S+ 0 0 133 1,-0.3 2,-0.3 -3,-0.1 -2,-0.0 0.625 85.7 10.0 -92.6 -24.7 15.7 4.7 14.5 108 126 A S S S- 0 0 79 -3,-0.0 -1,-0.3 0, 0.0 2,-0.1 -0.981 91.8 -89.0-148.8 159.6 15.4 3.2 18.0 109 127 A c - 0 0 52 -2,-0.3 2,-0.2 -3,-0.1 79,-0.1 -0.385 44.7-118.1 -68.6 142.8 13.4 0.5 19.7 110 128 A A - 0 0 30 78,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.496 29.4-121.5 -81.7 153.3 10.0 1.5 21.1 111 129 A S > - 0 0 82 -2,-0.2 3,-2.2 1,-0.1 31,-0.3 -0.586 29.3 -87.6 -96.1 156.7 9.4 1.2 24.9 112 130 A A T 3 S+ 0 0 58 1,-0.2 31,-0.2 -2,-0.2 -1,-0.1 -0.331 117.0 36.5 -50.3 138.3 6.8 -0.6 27.0 113 131 A G T 3 S+ 0 0 53 29,-3.1 -1,-0.2 1,-0.3 2,-0.1 0.092 82.5 133.2 96.8 -21.2 3.8 1.6 27.3 114 132 A T < - 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