==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-APR-09 3GY7 . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR C.S.PERILO,M.T.PEREIRA,M.M.SANTORO,R.A.P.NAGEM . 222 2 6 5 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9272.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 60.4 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 . 65 29.3 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 0.5 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 0.5 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 . 16 7.2 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 . 4 4 1 5 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 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 2 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 121.5 -8.1 8.5 18.9 2 17 A V B +A 171 0A 10 169,-3.0 169,-2.1 1,-0.2 123,-0.1 -0.854 360.0 6.1-100.9 132.3 -10.3 9.3 15.9 3 18 A G S S+ 0 0 48 121,-0.5 -1,-0.2 -2,-0.4 169,-0.1 0.689 102.6 118.6 72.9 20.7 -12.0 6.4 14.1 4 19 A G - 0 0 36 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.017 57.4-110.9 -98.3-155.5 -10.8 3.7 16.5 5 20 A Y E -B 137 0B 98 132,-2.5 132,-2.9 -3,-0.1 2,-0.5 -0.932 34.9 -87.5-140.1 159.4 -12.5 1.3 18.8 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.604 36.9-152.0 -70.5 121.8 -13.0 0.7 22.5 7 22 A a - 0 0 18 128,-2.0 -1,-0.2 -2,-0.5 129,-0.1 0.914 34.5-115.0 -61.9 -44.6 -9.9 -1.4 23.6 8 23 A G > - 0 0 24 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 -0.046 45.9 -56.8 106.4 140.3 -11.5 -3.1 26.5 9 24 A A T 3 S- 0 0 55 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.255 117.7 -10.8 -59.4 125.0 -10.5 -2.7 30.1 10 25 A N T 3 S+ 0 0 27 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.689 92.6 125.2 62.9 24.8 -6.8 -3.5 30.8 11 26 A T S < S+ 0 0 84 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.532 74.5 49.3 -86.2 -10.8 -6.3 -5.0 27.4 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-2.0 87,-0.1 -1,-0.2 -0.736 75.5 176.5-123.5 76.0 -3.3 -2.6 26.8 13 28 A P T 3 S+ 0 0 33 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.617 72.7 54.4 -69.2 -15.1 -1.5 -3.2 30.1 14 29 A Y T 3 S+ 0 0 19 86,-0.2 15,-2.3 88,-0.1 2,-0.4 0.463 82.3 110.4 -92.4 -6.6 1.5 -1.0 29.4 15 30 A Q E < -J 28 0C 5 -3,-2.0 36,-0.5 13,-0.2 37,-0.4 -0.576 47.7-175.8 -73.1 126.0 -0.7 2.1 28.6 16 31 A V E -J 27 0C 2 11,-2.4 11,-1.2 -2,-0.4 2,-0.5 -0.859 21.1-138.0-118.3 157.8 -0.4 4.8 31.3 17 32 A S E -JK 26 49C 1 32,-2.2 32,-2.8 -2,-0.3 2,-0.6 -0.962 15.2-141.7-107.5 131.0 -2.2 8.1 31.8 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.6 -2,-0.5 7,-1.0 -0.855 26.4-168.4 -91.8 124.6 -0.1 11.1 33.0 19 34 A N E +JK 23 47C 18 28,-2.9 28,-2.8 -2,-0.6 4,-0.2 -0.939 32.6 165.5-123.7 123.1 -2.1 13.0 35.5 20 37 A S S S- 0 0 32 2,-1.9 26,-0.1 -2,-0.4 3,-0.1 -0.614 99.7 -46.6-119.6 78.4 -1.6 16.7 37.1 21 38 A G S S+ 0 0 72 -2,-0.1 2,-0.3 26,-0.0 -2,-0.1 0.369 140.8 32.6 83.8 -5.5 -5.2 16.9 38.4 22 39 A Y S S- 0 0 133 -4,-0.0 -2,-1.9 0, 0.0 2,-0.2 -0.931 100.1 -84.7-170.1 151.5 -6.4 15.7 35.1 23 40 A H E +J 19 0C 35 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.524 49.7 159.3 -62.8 132.3 -5.3 13.4 32.3 24 41 A F E + 0 0 34 -6,-2.6 2,-0.3 1,-0.4 151,-0.2 0.546 57.3 2.5-131.4 -14.5 -2.9 15.3 29.9 25 42 A b E -J 18 0C 8 -7,-1.0 -7,-3.0 151,-0.1 -1,-0.4 -0.980 62.0-118.7-163.8 160.2 -0.8 12.7 28.0 26 43 A G E +J 17 0C 0 151,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.449 28.2 177.2 -92.8 176.3 -0.2 9.0 27.5 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.4 -2,-0.2 2,-0.4 -0.955 24.4-118.3-166.2 174.4 2.9 7.0 28.2 28 45 A S E -JL 15 36C 0 8,-2.5 8,-2.8 -2,-0.3 2,-0.5 -0.995 19.0-131.1-129.5 130.1 4.2 3.4 28.1 29 46 A L E + L 0 35C 1 -15,-2.3 74,-2.4 -2,-0.4 6,-0.2 -0.669 27.3 173.2 -78.1 120.9 5.5 1.4 31.0 30 47 A I - 0 0 19 4,-2.3 2,-0.3 -2,-0.5 75,-0.2 0.548 68.1 -7.7-110.5 -12.7 8.9 -0.1 30.0 31 48 A N S S- 0 0 48 3,-1.2 3,-0.5 70,-0.1 -1,-0.3 -0.931 89.6 -78.7-159.3-173.8 9.8 -1.6 33.4 32 49 A S S S+ 0 0 40 -2,-0.3 62,-3.4 1,-0.2 60,-0.1 0.696 127.8 30.0 -64.5 -16.7 8.5 -1.5 37.0 33 50 A Q S S+ 0 0 78 60,-0.2 57,-3.4 1,-0.1 2,-0.4 0.500 110.3 68.1-115.9 -13.7 10.0 2.0 37.6 34 51 A W E - M 0 89C 4 -3,-0.5 -4,-2.3 55,-0.2 -3,-1.2 -0.944 47.7-170.0-132.3 139.3 10.1 3.8 34.3 35 52 A V E -LM 29 88C 0 53,-2.6 53,-2.7 -2,-0.4 2,-0.4 -0.948 14.8-145.3-121.9 137.5 7.7 5.2 31.7 36 53 A V E +LM 28 87C 0 -8,-2.8 -8,-2.5 -2,-0.4 2,-0.2 -0.890 33.7 150.0 -99.1 134.7 8.4 6.5 28.2 37 54 A S E - M 0 86C 0 49,-2.7 49,-2.2 -2,-0.4 2,-0.4 -0.754 49.0 -70.8-142.9-169.3 6.4 9.5 27.0 38 55 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.762 32.1-134.0 -90.8 139.4 6.8 12.5 24.6 39 56 A A G > S+ 0 0 2 -2,-0.4 3,-2.0 1,-0.3 -1,-0.1 0.818 106.6 65.1 -57.6 -31.8 9.1 15.4 25.6 40 57 A H G 3 S+ 0 0 68 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.624 93.6 62.9 -70.6 -8.8 6.4 17.8 24.6 41 58 A b G < S+ 0 0 4 -3,-1.8 -1,-0.3 -15,-0.1 -2,-0.2 0.414 78.1 132.6 -86.9 -3.2 4.3 16.3 27.5 42 59 A Y < + 0 0 134 -3,-2.0 2,-0.3 -4,-0.1 -3,-0.0 -0.231 19.5 135.2 -56.2 135.3 6.9 17.5 30.1 43 60 A K - 0 0 53 0, 0.0 3,-0.3 0, 0.0 2,-0.1 -0.928 50.8-102.8-162.3 165.1 5.7 19.2 33.2 44 61 A S S S+ 0 0 96 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.463 95.2 41.4 -81.6 162.8 6.4 19.1 36.9 45 62 A G S S+ 0 0 65 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.849 74.1 171.6 74.1 37.1 4.1 17.4 39.4 46 63 A I - 0 0 8 -3,-0.3 21,-2.8 -26,-0.1 2,-0.5 -0.648 19.4-165.4 -84.3 131.3 3.3 14.3 37.3 47 64 A Q E -KN 19 66C 49 -28,-2.8 -28,-2.9 -2,-0.4 2,-0.4 -0.986 17.2-140.4-108.9 127.0 1.3 11.4 38.8 48 65 A V E -KN 18 65C 0 17,-2.8 17,-2.7 -2,-0.5 2,-0.6 -0.733 12.5-157.6 -88.4 128.8 1.5 8.2 36.7 49 66 A R E -KN 17 64C 49 -32,-2.8 -32,-2.2 -2,-0.4 3,-0.3 -0.931 13.9-177.8-114.3 111.3 -1.7 6.3 36.5 50 67 A L E + N 0 63C 1 13,-3.1 13,-1.9 -2,-0.6 -34,-0.1 -0.696 59.8 30.1-101.6 158.6 -1.4 2.6 35.7 51 69 A G S S+ 0 0 6 -36,-0.5 10,-0.3 -38,-0.3 2,-0.3 0.703 84.2 157.5 72.0 17.9 -4.1 -0.1 35.2 52 70 A E + 0 0 9 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.571 22.7 150.5 -81.3 140.9 -6.6 2.5 33.9 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.8 4,-0.3 -1,-0.1 0.380 81.4 29.7-116.8 -82.6 -9.6 2.0 31.7 54 72 A N S > S- 0 0 28 80,-0.2 3,-1.1 1,-0.2 -1,-0.4 -0.680 72.6-160.8 -75.0 112.4 -12.2 4.7 32.7 55 73 A I T 3 S+ 0 0 30 78,-2.6 -1,-0.2 -2,-0.8 79,-0.1 0.573 87.8 51.8 -74.1 -5.1 -9.9 7.6 33.8 56 74 A N T 3 S+ 0 0 125 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.404 105.8 57.1-108.3 -1.2 -12.8 9.2 35.6 57 75 A V S < S- 0 0 77 -3,-1.1 2,-0.7 76,-0.2 -4,-0.3 -0.998 78.3-127.2-132.6 134.3 -14.0 6.2 37.7 58 76 A V + 0 0 117 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.728 34.8 171.4 -78.4 114.0 -12.0 4.0 40.2 59 77 A E - 0 0 97 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.544 51.4 -97.4-108.0 -14.5 -12.6 0.5 38.8 60 78 A G S S+ 0 0 62 -9,-0.0 -8,-0.1 0, 0.0 -2,-0.1 0.285 104.7 74.6 122.4 -9.7 -10.3 -1.6 40.9 61 79 A N + 0 0 67 -10,-0.3 -9,-0.1 38,-0.0 2,-0.0 0.330 66.6 123.6-114.4 8.7 -7.1 -2.2 38.9 62 80 A E - 0 0 34 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.311 37.9-170.1 -70.7 146.8 -5.4 1.3 39.2 63 81 A Q E -N 50 0C 38 -13,-1.9 -13,-3.1 2,-0.0 2,-0.6 -0.957 7.2-165.4-129.5 121.1 -2.0 2.1 40.6 64 82 A F E +N 49 0C 77 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.937 15.9 169.5-105.4 119.7 -1.4 5.8 41.1 65 83 A I E -N 48 0C 15 -17,-2.7 -17,-2.8 -2,-0.6 2,-0.1 -0.990 29.6-127.5-136.8 122.6 2.3 6.6 41.7 66 84 A S E -N 47 0C 59 -2,-0.4 25,-2.8 -19,-0.3 26,-0.3 -0.362 29.1-111.9 -65.9 146.0 4.0 10.0 41.7 67 85 A A B P 90 0D 26 -21,-2.8 23,-0.3 23,-0.2 -22,-0.1 -0.580 360.0 360.0 -74.3 139.5 7.0 10.7 39.4 68 86 A S 0 0 87 21,-2.7 22,-0.2 -2,-0.2 -1,-0.1 0.682 360.0 360.0 -95.3 360.0 10.3 11.2 41.2 69 ! 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 70 88 A S 0 0 62 0, 0.0 2,-0.4 0, 0.0 18,-0.2 0.000 360.0 360.0 360.0 143.7 11.7 13.3 34.5 71 89 A I E -O 87 0C 46 16,-2.8 16,-2.6 0, 0.0 2,-0.2 -0.913 360.0-159.0-133.1 104.9 14.4 13.3 31.8 72 90 A V E -O 86 0C 50 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.585 41.9 -87.8 -76.6 142.7 13.7 15.0 28.5 73 91 A H > - 0 0 24 12,-2.3 3,-1.7 10,-0.3 -1,-0.1 -0.219 35.5-123.6 -51.0 138.2 15.9 13.9 25.7 74 92 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.773 109.4 40.4 -57.5 -27.4 19.1 15.9 25.6 75 93 A S T 3 S+ 0 0 74 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.127 79.6 143.4-108.7 17.3 18.5 17.0 21.9 76 94 A Y < - 0 0 55 -3,-1.7 2,-0.5 9,-0.1 7,-0.2 -0.411 31.4-164.5 -60.7 127.1 14.7 17.6 22.1 77 95 A N > - 0 0 65 5,-2.2 4,-2.0 -2,-0.1 5,-0.4 -0.965 8.0-163.6-113.6 114.1 13.8 20.6 20.0 78 96 A S T 4 S+ 0 0 76 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.693 86.8 56.4 -72.7 -17.2 10.3 21.9 20.9 79 97 A N T 4 S+ 0 0 151 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.933 123.2 21.9 -77.9 -46.7 10.0 23.9 17.6 80 98 A T T 4 S- 0 0 72 2,-0.1 -2,-0.2 76,-0.0 -1,-0.1 0.589 97.6-130.8 -94.7 -12.9 10.6 21.0 15.2 81 99 A L >< + 0 0 31 -4,-2.0 3,-0.8 1,-0.2 -3,-0.2 0.575 49.1 160.4 65.1 15.5 9.6 18.2 17.7 82 100 A N T 3 + 0 0 38 -5,-0.4 -5,-2.2 1,-0.2 -1,-0.2 -0.465 67.0 14.9 -64.6 134.5 12.8 16.4 16.8 83 101 A N T 3 S- 0 0 17 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.916 78.8-180.0 63.2 47.9 13.7 13.9 19.5 84 102 A D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.522 36.9 113.9 -82.0 75.6 10.2 14.0 21.1 85 103 A I + 0 0 0 -2,-2.0 -12,-2.3 -47,-0.3 2,-0.3 -0.997 36.3 175.1-149.3 142.3 10.9 11.6 23.9 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.7 -2,-0.3 2,-0.4 -0.987 20.6-137.7-146.6 149.9 11.1 11.7 27.7 87 105 A L E -MO 36 71C 0 -16,-2.6 -16,-2.8 -2,-0.3 2,-0.4 -0.916 13.9-164.1-108.9 140.6 11.6 9.2 30.5 88 106 A I E -M 35 0C 0 -53,-2.7 -53,-2.6 -2,-0.4 2,-0.4 -0.992 7.9-150.5-124.5 126.3 9.7 9.4 33.8 89 107 A K E -M 34 0C 46 -2,-0.4 -21,-2.7 -55,-0.2 2,-0.2 -0.837 14.7-131.2 -97.7 136.1 10.8 7.5 36.9 90 108 A L B -P 67 0D 2 -57,-3.4 -23,-0.2 -2,-0.4 -24,-0.1 -0.589 12.4-130.5 -80.1 143.4 8.2 6.3 39.4 91 109 A K S S+ 0 0 150 -25,-2.8 2,-0.3 -2,-0.2 -24,-0.1 0.785 96.7 17.6 -63.0 -30.1 8.8 7.1 43.1 92 110 A S S S- 0 0 66 -26,-0.3 -1,-0.1 -60,-0.1 2,-0.1 -0.984 96.6 -93.8-140.2 152.9 8.0 3.4 43.8 93 111 A A - 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