==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-NOV-04 1Y3V . COMPND 2 MOLECULE: TRYPSIN, CATIONIC; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.FOKKENS,G.KLEBE . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9235.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 59.6 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 . 68 30.5 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 . 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 . 14 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 6.3 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 1 0 1 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 . 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 . 2 2 1 6 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 16 A I 0 0 3 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 124.1 -3.6 9.2 10.9 2 17 A V B +A 171 0A 9 169,-3.0 169,-1.8 1,-0.2 123,-0.1 -0.882 360.0 9.2-104.4 129.5 -7.3 10.3 11.1 3 18 A G S S+ 0 0 43 121,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.720 101.9 119.0 81.9 16.3 -8.3 13.3 9.0 4 19 A G - 0 0 34 -3,-0.3 2,-0.3 120,-0.1 134,-0.2 -0.136 55.0-115.8-105.6-160.7 -5.1 13.6 7.1 5 20 A Y E -B 137 0B 94 132,-2.4 132,-2.8 -3,-0.1 2,-0.4 -0.916 35.6 -85.0-137.6 159.8 -4.0 13.4 3.5 6 21 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.502 36.6-152.2 -66.0 121.0 -1.8 11.3 1.3 7 22 A a - 0 0 18 128,-2.3 -1,-0.2 -2,-0.4 129,-0.1 0.914 34.5-113.4 -65.1 -41.0 1.7 12.7 1.7 8 23 A G > - 0 0 26 127,-0.5 3,-1.9 -3,-0.0 4,-0.2 0.102 47.3 -58.4 107.4 135.9 3.1 11.7 -1.7 9 24 A A T 3 S- 0 0 57 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.165 117.4 -10.2 -55.8 127.2 5.8 9.1 -2.2 10 25 A N T 3 S+ 0 0 35 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.697 91.1 126.0 61.6 24.4 9.1 9.9 -0.4 11 26 A T S < S+ 0 0 82 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.1 0.568 76.1 48.1 -82.7 -8.5 8.0 13.4 0.6 12 27 A V S > S+ 0 0 8 -4,-0.2 3,-1.8 87,-0.1 -1,-0.2 -0.752 74.5 174.5-127.9 76.0 8.8 12.6 4.2 13 28 A P T 3 S+ 0 0 34 0, 0.0 88,-1.6 0, 0.0 38,-0.3 0.587 70.1 57.0 -71.8 -11.0 12.2 11.0 3.8 14 29 A Y T 3 S+ 0 0 20 86,-0.2 15,-2.4 88,-0.1 2,-0.3 0.396 81.1 110.9 -95.7 -1.8 13.1 10.6 7.5 15 30 A Q E < -J 28 0C 6 -3,-1.8 36,-0.5 13,-0.2 37,-0.3 -0.571 47.2-173.4 -77.2 133.5 10.0 8.5 8.2 16 31 A V E -JK 27 50C 0 11,-2.3 11,-1.1 -2,-0.3 2,-0.5 -0.876 19.2-138.4-123.6 158.7 10.6 4.8 8.9 17 32 A S E -JK 26 49C 0 32,-2.2 32,-3.0 -2,-0.3 2,-0.5 -0.975 12.6-144.7-111.3 128.1 8.4 1.8 9.4 18 33 A L E -JK 25 48C 0 7,-2.8 6,-2.5 -2,-0.5 7,-1.1 -0.870 27.4-170.9 -91.3 125.4 9.2 -0.7 12.2 19 34 A N E +JK 23 47C 16 28,-2.6 28,-2.7 -2,-0.5 4,-0.2 -0.952 32.6 167.9-128.0 133.2 8.3 -4.1 10.9 20 37 A S S S- 0 0 36 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.337 96.1 -49.1-130.1 52.8 8.1 -7.5 12.6 21 38 A G S S+ 0 0 74 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.382 139.5 35.0 90.1 -1.5 6.3 -9.3 9.8 22 39 A Y S S- 0 0 127 -4,-0.0 -2,-2.3 0, 0.0 2,-0.4 -0.914 100.7 -87.1-168.3 158.6 3.8 -6.4 9.7 23 40 A H E +J 19 0C 32 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.619 51.2 156.5 -70.0 127.6 4.0 -2.6 10.3 24 41 A F E + 0 0 30 -6,-2.5 2,-0.3 1,-0.4 151,-0.3 0.554 57.5 4.4-129.7 -13.6 3.6 -1.9 14.0 25 42 A b E -J 18 0C 7 -7,-1.1 -7,-2.8 151,-0.1 -1,-0.4 -0.991 60.7-125.7-161.4 160.8 5.2 1.5 14.7 26 43 A G E +J 17 0C 1 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.438 25.0 175.6 -99.2-179.2 6.8 4.5 13.1 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.3 -2,-0.1 2,-0.4 -0.953 24.8-116.1-170.8 176.0 10.2 6.2 13.8 28 45 A S E -JL 15 36C 1 8,-2.1 8,-2.4 -2,-0.3 2,-0.5 -0.994 20.2-127.9-130.0 134.2 12.4 8.9 12.5 29 46 A L E + L 0 35C 0 -15,-2.4 74,-2.6 -2,-0.4 6,-0.2 -0.670 27.2 174.3 -78.1 123.3 15.9 8.6 11.0 30 47 A I E - 0 0 19 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.609 68.7 -11.6-112.7 -13.8 18.3 11.0 12.8 31 48 A N E > S- L 0 34C 54 3,-1.2 3,-0.6 70,-0.1 -1,-0.3 -0.933 90.6 -75.5-162.3-171.5 21.5 9.9 11.2 32 49 A S T 3 S+ 0 0 41 -2,-0.3 62,-3.0 1,-0.2 60,-0.1 0.723 126.9 28.1 -73.4 -8.7 22.6 7.1 8.9 33 50 A Q T 3 S+ 0 0 58 60,-0.2 57,-3.0 1,-0.1 2,-0.4 0.399 110.0 68.4-124.9 5.3 22.7 4.5 11.7 34 51 A W E < -LM 31 89C 10 -3,-0.6 -4,-2.4 55,-0.2 -3,-1.2 -0.977 49.2-170.4-137.2 137.7 20.2 5.6 14.3 35 52 A V E -LM 29 88C 0 53,-2.6 53,-3.0 -2,-0.4 2,-0.4 -0.952 14.4-144.2-118.4 142.1 16.4 5.9 14.6 36 53 A V E +LM 28 87C 1 -8,-2.4 -8,-2.1 -2,-0.4 2,-0.2 -0.904 34.6 146.3-101.5 135.1 14.2 7.5 17.3 37 54 A S E - M 0 86C 0 49,-2.9 49,-2.1 -2,-0.4 2,-0.3 -0.733 49.8 -69.0-147.7-165.4 10.9 5.9 18.2 38 55 A A > - 0 0 0 -12,-0.4 3,-1.5 47,-0.3 47,-0.3 -0.741 31.4-132.1 -95.3 142.0 8.7 5.4 21.2 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.813 106.4 65.2 -59.5 -32.2 9.7 3.1 24.1 40 57 A H G 3 S+ 0 0 66 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.613 92.7 63.9 -70.6 -6.0 6.2 1.5 24.0 41 58 A b G < S+ 0 0 4 -3,-1.5 -1,-0.3 -15,-0.1 -2,-0.2 0.390 76.1 131.0 -90.0 -0.2 7.1 0.2 20.6 42 59 A Y < + 0 0 131 -3,-1.8 2,-0.3 -4,-0.1 -3,-0.0 -0.293 22.1 135.8 -54.8 135.8 9.9 -1.9 22.0 43 60 A K - 0 0 60 -2,-0.0 3,-0.4 0, 0.0 2,-0.1 -0.968 51.9-103.6-164.5 167.6 10.1 -5.5 20.9 44 61 A S S S+ 0 0 97 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.471 96.7 44.4 -84.2 162.4 12.6 -8.0 19.7 45 62 A G S S+ 0 0 64 1,-0.2 2,-0.5 -2,-0.1 -1,-0.2 0.851 73.5 168.6 84.5 25.1 12.9 -8.9 16.1 46 63 A I - 0 0 10 -3,-0.4 21,-2.4 21,-0.1 2,-0.5 -0.632 18.4-170.3 -85.2 129.4 12.6 -5.4 14.6 47 64 A Q E -KN 19 66C 49 -28,-2.7 -28,-2.6 -2,-0.5 2,-0.4 -0.967 17.9-141.5-107.4 127.5 13.4 -4.7 11.0 48 65 A V E -KN 18 65C 0 17,-2.9 17,-2.7 -2,-0.5 2,-0.6 -0.765 11.7-157.2 -90.3 131.3 13.6 -1.0 10.1 49 66 A R E -KN 17 64C 50 -32,-3.0 -32,-2.2 -2,-0.4 3,-0.3 -0.944 12.8-174.7-117.4 114.1 12.1 -0.1 6.7 50 67 A L E +KN 16 63C 1 13,-3.1 13,-2.1 -2,-0.6 -34,-0.1 -0.698 61.0 26.6-104.0 156.2 13.4 3.0 5.1 51 69 A G S S+ 0 0 5 -36,-0.5 -1,-0.2 -38,-0.3 2,-0.2 0.633 84.0 155.1 71.0 17.4 12.2 4.8 1.9 52 70 A E + 0 0 10 -37,-0.3 -42,-0.4 -3,-0.3 -1,-0.2 -0.434 22.3 151.5 -81.7 146.9 8.7 3.4 2.1 53 71 A D S S+ 0 0 16 1,-0.4 2,-0.8 4,-0.3 -1,-0.2 0.296 81.5 33.6-124.8 -76.0 5.5 4.7 0.6 54 72 A N S > S- 0 0 23 80,-0.2 3,-0.9 1,-0.2 -1,-0.4 -0.714 73.0-163.6 -77.7 113.5 3.3 1.7 -0.0 55 73 A I T 3 S+ 0 0 29 78,-2.6 -1,-0.2 -2,-0.8 79,-0.1 0.539 84.4 52.9 -78.8 -4.0 4.2 -0.6 2.8 56 74 A N T 3 S+ 0 0 115 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.450 105.7 54.2-108.0 -2.1 2.6 -3.6 1.1 57 75 A V S < S- 0 0 75 -3,-0.9 2,-0.8 76,-0.2 -4,-0.3 -0.992 77.9-126.6-131.9 137.2 4.4 -3.4 -2.3 58 76 A V + 0 0 117 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.795 40.8 162.3 -83.2 113.3 8.1 -3.2 -3.2 59 77 A E - 0 0 102 -2,-0.8 -1,-0.2 1,-0.3 2,-0.1 0.529 52.1 -90.2-110.2 -13.5 8.1 -0.1 -5.3 60 78 A G S S+ 0 0 33 0, 0.0 -1,-0.3 0, 0.0 3,-0.1 -0.095 101.4 63.9 104.5 154.6 11.8 0.8 -5.3 61 79 A N S S+ 0 0 64 1,-0.3 2,-0.2 -2,-0.1 -9,-0.1 0.181 71.4 133.1 80.3 -5.1 13.8 3.1 -3.0 62 80 A E - 0 0 35 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.475 36.2-169.2 -72.5 144.1 13.2 0.8 0.0 63 81 A Q E -N 50 0C 36 -13,-2.1 -13,-3.1 -2,-0.2 2,-0.5 -0.994 4.7-162.1-124.3 126.6 16.0 -0.2 2.3 64 82 A F E +N 49 0C 85 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.945 17.3 171.3-108.7 120.7 15.3 -3.0 4.9 65 83 A I E -N 48 0C 21 -17,-2.7 -17,-2.9 -2,-0.5 2,-0.1 -0.992 28.9-125.4-135.9 127.5 17.9 -3.0 7.7 66 84 A S E -N 47 0C 68 -2,-0.4 25,-2.6 -19,-0.2 2,-0.3 -0.353 28.5-112.5 -65.8 149.7 17.7 -5.1 10.9 67 85 A A E -O 90 0C 25 -21,-2.4 23,-0.3 23,-0.2 3,-0.1 -0.661 21.3-165.3 -76.2 136.5 18.0 -3.4 14.2 68 86 A S E S- 0 0 47 21,-3.3 2,-0.3 1,-0.4 22,-0.2 0.824 72.8 -8.5 -90.0 -39.7 21.3 -4.2 16.1 69 87 A K E -O 89 0C 85 20,-1.2 20,-2.7 2,-0.0 2,-0.4 -0.988 55.8-147.1-157.2 157.8 20.0 -2.9 19.4 70 88 A S E -O 88 0C 34 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.994 11.8-160.1-128.7 127.8 17.2 -1.0 20.9 71 89 A I E -O 87 0C 30 16,-3.4 16,-2.4 -2,-0.4 2,-0.3 -0.914 5.3-163.3-117.2 100.5 17.7 1.3 23.8 72 90 A V E -O 86 0C 44 -2,-0.7 14,-0.2 14,-0.2 12,-0.1 -0.622 40.6 -92.2 -77.9 141.4 14.6 2.2 25.8 73 91 A H > - 0 0 23 12,-2.1 3,-2.0 -2,-0.3 -1,-0.1 -0.323 33.1-131.6 -52.2 127.4 15.0 5.2 28.1 74 92 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.778 105.5 47.7 -57.4 -25.6 16.1 3.8 31.5 75 93 A S T 3 S+ 0 0 73 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.280 78.5 137.5 -97.2 9.0 13.4 5.9 33.3 76 94 A Y < - 0 0 58 -3,-2.0 2,-0.5 9,-0.1 7,-0.2 -0.395 40.3-155.6 -57.0 132.4 10.5 4.9 31.0 77 95 A N > - 0 0 57 5,-1.9 4,-2.5 -2,-0.1 5,-0.5 -0.961 9.4-161.8-114.9 116.4 7.4 4.2 33.0 78 96 A S T 4 S+ 0 0 85 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.630 90.1 55.0 -75.0 -15.0 4.9 1.9 31.2 79 97 A N T 4 S+ 0 0 143 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.846 124.0 20.3 -79.0 -43.6 2.1 3.1 33.5 80 98 A T T 4 S- 0 0 68 -3,-0.2 -2,-0.2 2,-0.1 77,-0.1 0.546 93.2-130.9-105.9 -14.2 2.4 6.8 32.9 81 99 A L >< + 0 0 30 -4,-2.5 3,-0.9 1,-0.2 2,-0.2 0.581 50.5 157.3 63.9 17.6 4.2 6.8 29.6 82 100 A N T 3 + 0 0 35 -5,-0.5 -5,-1.9 1,-0.2 -1,-0.2 -0.561 66.8 17.9 -66.5 136.9 6.7 9.3 31.0 83 101 A N T 3 S+ 0 0 23 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.879 79.5 175.2 66.5 43.5 10.1 9.2 29.0 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.547 34.1 113.9 -81.9 76.9 8.4 7.3 26.1 85 103 A I + 0 0 0 -2,-2.0 -12,-2.1 -47,-0.3 2,-0.3 -0.991 38.1 179.9-149.1 144.2 11.4 7.4 23.9 86 104 A M E -MO 37 72C 0 -49,-2.1 -49,-2.9 -2,-0.3 2,-0.4 -0.989 17.5-142.1-145.9 145.6 13.8 4.7 22.4 87 105 A L E -MO 36 71C 0 -16,-2.4 -16,-3.4 -2,-0.3 2,-0.5 -0.909 12.8-160.5-108.0 138.9 16.8 4.7 20.2 88 106 A I E -MO 35 70C 0 -53,-3.0 -53,-2.6 -2,-0.4 2,-0.5 -0.985 5.1-152.5-120.6 125.9 17.4 2.0 17.6 89 107 A K E -MO 34 69C 47 -20,-2.7 -21,-3.3 -2,-0.5 -20,-1.2 -0.850 18.9-130.9 -95.5 129.7 20.8 1.3 16.1 90 108 A L E - 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0 0 32 -88,-1.6 -72,-0.3 -2,-0.4 2,-0.1 -0.977 42.4-110.0-147.1 156.5 17.3 11.4 4.7 102 120 A S - 0 0 60 -2,-0.3 2,-0.4 -72,-0.1 -72,-0.3 -0.441 24.2-134.6 -85.2 156.4 17.8 12.3 8.4 103 121 A I - 0 0 16 -74,-2.6 2,-0.1 -89,-0.2 83,-0.1 -0.903 25.8-111.6-112.0 142.5 15.8 14.8 10.3 104 122 A S B -c 186 0B 67 81,-0.7 83,-2.9 -2,-0.4 -73,-0.1 -0.462 22.0-127.0 -70.2 137.4 17.5 17.4 12.6 105 123 A L - 0 0 40 81,-0.2 83,-0.1 -75,-0.2 -1,-0.1 -0.568 38.0-101.0 -78.2 152.0 17.1 17.3 16.4 106 124 A P - 0 0 6 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.287 18.7-159.6 -74.0 152.7 15.9 20.6 17.9 107 125 A T S S+ 0 0 128 1,-0.3 2,-0.3 -2,-0.0 -2,-0.0 0.629 83.6 18.0-101.9 -15.8 18.2 23.1 19.6 108 127 A S S S- 0 0 77 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 -0.979 89.5 -95.3-146.0 160.1 15.2 24.6 21.5 109 128 A c - 0 0 61 -2,-0.3 2,-0.2 -3,-0.1 79,-0.0 -0.399 42.1-112.8 -73.7 151.3 11.7 23.6 22.4 110 129 A A - 0 0 28 78,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.554 28.6-123.9 -87.2 151.0 8.8 24.7 20.2 111 130 A S > - 0 0 82 -2,-0.2 3,-1.9 1,-0.1 31,-0.3 -0.500 35.0 -82.2 -91.9 159.7 6.1 27.1 21.4 112 132 A A T 3 S+ 0 0 60 1,-0.2 31,-0.2 -2,-0.2 -1,-0.1 -0.341 116.6 32.3 -51.6 139.8 2.4 26.7 21.6 113 133 A G T 3 S+ 0 0 51 29,-3.2 -1,-0.2 1,-0.3 2,-0.2 0.247 80.3 140.6 89.0 -7.9 0.8 27.4 18.2 114 134 A T < - 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