==== 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 3GY6 . 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 . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8810.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 141 63.2 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 . 74 33.2 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 . 16 7.2 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 . 16 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 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 . 5 1 3 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 16 A I 0 0 2 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 122.7 13.4 4.9 5.0 2 17 A V B +A 171 0A 9 169,-3.4 169,-2.1 1,-0.2 123,-0.1 -0.871 360.0 4.9-100.4 131.6 12.3 6.9 1.9 3 18 A G S S+ 0 0 45 121,-0.6 -1,-0.2 -2,-0.5 167,-0.1 0.667 103.5 118.5 72.7 19.1 8.6 6.7 0.9 4 19 A G - 0 0 29 -3,-0.3 2,-0.3 167,-0.2 134,-0.2 0.027 57.0-118.5 -95.6-154.6 7.6 4.7 3.9 5 20 A Y E -B 137 0B 88 132,-2.5 132,-3.6 -3,-0.1 2,-0.5 -0.927 34.6 -79.6-145.1 166.6 5.3 5.4 6.7 6 21 A T E -B 136 0B 70 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.604 36.7-150.7 -70.9 117.9 5.3 5.8 10.4 7 22 A a - 0 0 17 128,-2.0 -1,-0.2 -2,-0.5 129,-0.1 0.887 37.9-114.5 -55.0 -43.4 5.3 2.3 11.8 8 23 A G > - 0 0 25 127,-0.5 3,-2.1 -3,-0.1 4,-0.3 -0.032 49.4 -53.5 102.7 142.0 3.5 3.3 15.0 9 24 A A T 3 S- 0 0 57 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.257 120.3 -12.7 -58.5 120.7 5.1 3.1 18.4 10 25 A N T 3 S+ 0 0 22 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.646 88.8 129.6 65.2 23.0 6.5 -0.4 19.0 11 26 A T S < S+ 0 0 78 -3,-2.1 -2,-0.1 1,-0.3 -1,-0.1 0.581 78.0 46.8 -77.7 -11.3 4.8 -2.0 16.1 12 27 A V S > S+ 0 0 5 -4,-0.3 3,-2.2 87,-0.1 -1,-0.3 -0.690 73.5 172.0-129.0 71.4 8.3 -3.4 15.2 13 28 A P T 3 S+ 0 0 29 0, 0.0 88,-1.7 0, 0.0 38,-0.3 0.567 73.2 56.9 -73.0 -8.0 9.3 -4.6 18.6 14 29 A Y T 3 S+ 0 0 17 86,-0.2 15,-2.5 88,-0.1 2,-0.4 0.490 82.1 107.8 -93.5 -8.5 12.5 -6.4 17.3 15 30 A Q E < -J 28 0C 3 -3,-2.2 36,-0.4 13,-0.2 37,-0.4 -0.583 51.3-174.4 -72.8 125.1 13.7 -3.2 15.8 16 31 A V E -J 27 0C 1 11,-2.7 11,-1.3 -2,-0.4 2,-0.5 -0.859 19.9-138.0-115.8 155.4 16.6 -1.8 17.8 17 32 A S E -JK 26 49C 1 32,-2.4 32,-3.3 -2,-0.3 2,-0.6 -0.959 15.4-140.7-106.7 130.4 18.5 1.4 17.4 18 33 A L E -JK 25 48C 0 7,-3.7 6,-2.9 -2,-0.5 7,-1.0 -0.845 24.2-165.5 -89.7 124.7 22.2 1.2 17.8 19 34 A N E +JK 23 47C 18 28,-3.3 28,-3.2 -2,-0.6 4,-0.2 -0.957 31.1 165.7-121.5 127.9 23.4 4.2 19.7 20 37 A S S S- 0 0 29 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.324 99.1 -47.7-124.8 46.7 27.0 5.6 20.1 21 38 A G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.223 140.8 28.4 104.8 -8.8 25.8 9.0 21.5 22 39 A Y S S- 0 0 126 -4,-0.0 -2,-2.1 0, 0.0 2,-0.3 -0.934 104.4 -79.2-168.2 157.4 23.3 9.1 18.6 23 40 A H E +J 19 0C 34 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.527 52.4 159.2 -65.3 131.4 21.4 6.6 16.5 24 41 A F E + 0 0 32 -6,-2.9 2,-0.3 1,-0.5 151,-0.3 0.527 59.5 3.7-129.0 -12.2 23.8 5.3 13.8 25 42 A b E -J 18 0C 5 -7,-1.0 -7,-3.7 151,-0.1 -1,-0.5 -0.973 61.6-122.2-163.2 159.9 22.3 2.0 12.8 26 43 A G E +J 17 0C 0 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.399 27.9 176.6 -93.2 175.9 19.4 -0.3 13.2 27 44 A G E -J 16 0C 0 -11,-1.3 -11,-2.7 -2,-0.1 2,-0.4 -0.927 25.0-117.8-163.4 178.1 19.6 -3.9 14.3 28 45 A S E -JL 15 36C 0 8,-2.5 8,-2.8 -2,-0.3 2,-0.5 -0.995 19.8-127.4-131.3 131.8 17.2 -6.7 15.1 29 46 A L E + L 0 35C 0 -15,-2.5 74,-2.5 -2,-0.4 6,-0.2 -0.660 28.5 173.5 -77.8 123.8 16.7 -8.4 18.4 30 47 A I E - 0 0 18 4,-2.8 2,-0.3 -2,-0.5 75,-0.2 0.639 68.1 -7.0-109.0 -21.6 17.0 -12.1 17.8 31 48 A N E > S- L 0 34C 52 3,-1.5 3,-1.0 70,-0.1 -1,-0.4 -0.935 89.0 -79.0-154.5-177.5 17.0 -13.1 21.4 32 49 A S T 3 S+ 0 0 39 -2,-0.3 62,-3.6 1,-0.3 60,-0.1 0.759 129.6 25.4 -55.2 -27.7 17.0 -11.5 24.8 33 50 A Q T 3 S+ 0 0 52 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.379 111.4 74.4-120.7 8.4 20.7 -11.0 24.7 34 51 A W E < -LM 31 89C 8 -3,-1.0 -4,-2.8 55,-0.2 -3,-1.5 -0.974 46.2-175.5-133.3 131.8 21.6 -10.8 20.9 35 52 A V E -LM 29 88C 0 53,-3.3 53,-3.0 -2,-0.4 2,-0.4 -0.949 14.0-149.7-115.9 140.6 21.1 -8.3 18.2 36 53 A V E +LM 28 87C 0 -8,-2.8 -8,-2.5 -2,-0.4 2,-0.2 -0.919 30.5 150.3-105.6 138.3 22.0 -8.9 14.6 37 54 A S E - M 0 86C 0 49,-3.5 49,-2.5 -2,-0.4 2,-0.3 -0.753 49.9 -65.6-142.9-166.7 23.0 -5.9 12.5 38 55 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.684 34.6-132.8 -88.8 140.9 25.2 -5.0 9.5 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-2.3 1,-0.3 -1,-0.1 0.854 108.0 65.5 -58.9 -31.4 28.9 -5.5 9.9 40 57 A H G 3 S+ 0 0 64 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.668 92.7 63.2 -71.0 -7.0 29.3 -2.1 8.4 41 58 A b G < S+ 0 0 3 -3,-1.6 -1,-0.3 -15,-0.1 -2,-0.2 0.378 77.6 132.4 -85.9 -3.6 27.6 -0.8 11.5 42 59 A Y < + 0 0 126 -3,-2.3 2,-0.3 -4,-0.1 -3,-0.1 -0.290 22.9 134.3 -55.8 132.0 30.5 -2.1 13.6 43 60 A K - 0 0 59 3,-0.0 3,-0.3 0, 0.0 2,-0.2 -0.950 52.2-101.0-161.1 169.5 31.9 0.2 16.1 44 61 A S S S+ 0 0 96 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.505 97.1 38.6 -80.2 157.1 33.0 0.3 19.7 45 62 A G S S+ 0 0 66 1,-0.2 2,-0.5 -2,-0.2 -1,-0.2 0.847 75.0 170.8 76.3 35.4 30.8 1.8 22.4 46 63 A I - 0 0 6 -3,-0.3 21,-2.9 -26,-0.1 2,-0.5 -0.675 17.4-169.1 -84.0 128.6 27.5 0.5 21.1 47 64 A Q E -KN 19 66C 50 -28,-3.2 -28,-3.3 -2,-0.5 2,-0.5 -0.983 17.1-141.1-110.2 129.2 24.5 0.9 23.2 48 65 A V E -KN 18 65C 0 17,-3.2 17,-2.9 -2,-0.5 2,-0.7 -0.766 12.4-158.0 -89.5 128.2 21.5 -1.1 22.0 49 66 A R E -KN 17 64C 49 -32,-3.3 -32,-2.4 -2,-0.5 3,-0.3 -0.931 13.8-176.8-114.4 112.0 18.2 0.8 22.4 50 67 A L E + N 0 63C 1 13,-3.2 13,-1.8 -2,-0.7 -34,-0.1 -0.658 61.1 30.1-101.8 162.4 15.2 -1.4 22.4 51 69 A G S S+ 0 0 4 -36,-0.4 10,-0.3 48,-0.4 2,-0.2 0.618 86.1 156.2 66.4 12.7 11.5 -0.5 22.6 52 70 A E + 0 0 8 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.478 19.7 149.3 -73.0 136.5 12.3 2.7 20.8 53 71 A D S S+ 0 0 12 1,-0.4 2,-0.8 4,-0.3 -1,-0.2 0.352 79.0 31.6-117.8 -80.0 9.9 4.7 18.8 54 72 A N S > S- 0 0 26 80,-0.2 3,-1.1 1,-0.2 -1,-0.4 -0.655 73.6-162.2 -73.1 111.6 10.8 8.3 19.0 55 73 A I T 3 S+ 0 0 26 78,-2.9 -1,-0.2 -2,-0.8 79,-0.1 0.617 87.2 52.0 -74.7 -9.9 14.6 7.9 19.3 56 74 A N T 3 S+ 0 0 120 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.374 106.8 56.8-102.9 1.4 14.9 11.5 20.7 57 75 A V S < S- 0 0 71 -3,-1.1 2,-0.7 76,-0.2 -4,-0.3 -1.000 78.4-127.6-137.3 133.5 12.3 11.2 23.4 58 76 A V + 0 0 113 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.730 32.5 174.0 -79.9 112.8 12.1 8.8 26.3 59 77 A E - 0 0 93 -2,-0.7 -1,-0.2 -5,-0.2 -4,-0.0 0.592 50.8-101.4-102.9 -16.1 8.6 7.4 25.9 60 78 A G S S+ 0 0 58 -3,-0.1 -2,-0.1 -9,-0.0 -8,-0.1 0.407 104.6 76.8 116.4 0.3 8.6 4.8 28.6 61 79 A N + 0 0 55 -10,-0.3 -9,-0.1 38,-0.1 2,-0.1 0.341 66.7 118.8-119.3 3.6 9.2 1.5 26.8 62 80 A E - 0 0 33 -11,-0.1 2,-0.4 -13,-0.0 -11,-0.2 -0.338 40.1-169.2 -70.5 148.3 12.9 1.8 26.1 63 81 A Q E -N 50 0C 38 -13,-1.8 -13,-3.2 -2,-0.1 2,-0.6 -0.983 7.8-161.6-131.2 130.1 15.6 -0.5 27.4 64 82 A F E +N 49 0C 76 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.952 16.0 172.6-111.5 121.3 19.1 0.7 26.8 65 83 A I E -N 48 0C 13 -17,-2.9 -17,-3.2 -2,-0.6 2,-0.1 -0.993 27.5-127.7-135.4 129.0 21.7 -2.0 27.1 66 84 A S E -N 47 0C 50 -2,-0.4 25,-3.1 -19,-0.3 26,-0.3 -0.359 29.4-111.1 -68.6 144.3 25.4 -1.8 26.3 67 85 A A E -O 90 0C 19 -21,-2.9 23,-0.3 23,-0.2 3,-0.1 -0.589 26.1-172.0 -70.1 137.4 26.9 -4.3 23.9 68 86 A S E S+ 0 0 64 21,-3.4 2,-0.3 1,-0.4 22,-0.2 0.674 73.3 11.6 -96.1 -27.8 29.3 -6.6 25.7 69 87 A K E -O 89 0C 91 20,-1.5 20,-3.1 2,-0.0 2,-0.4 -0.979 59.0-159.7-154.6 135.3 30.6 -8.2 22.5 70 88 A S E -O 88 0C 40 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.955 8.3-168.8-113.7 137.5 30.4 -7.5 18.8 71 89 A I E -O 87 0C 33 16,-3.2 16,-2.8 -2,-0.4 2,-0.3 -0.910 5.8-160.3-130.5 103.3 31.1 -10.2 16.3 72 90 A V E -O 86 0C 45 -2,-0.5 14,-0.2 14,-0.3 12,-0.1 -0.584 43.1 -86.7 -76.5 142.5 31.6 -9.2 12.8 73 91 A H > - 0 0 22 12,-2.6 3,-2.1 10,-0.3 -1,-0.1 -0.212 36.0-123.7 -51.0 138.4 31.1 -11.9 10.3 74 92 A P T 3 S+ 0 0 96 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.820 111.7 40.2 -56.2 -28.6 34.4 -13.8 9.8 75 93 A S T 3 S+ 0 0 68 8,-0.1 -2,-0.1 2,-0.1 9,-0.1 0.246 79.6 141.9-108.2 14.5 34.1 -13.1 6.1 76 94 A Y < - 0 0 52 -3,-2.1 2,-0.6 9,-0.1 7,-0.2 -0.352 32.9-163.6 -59.5 128.0 32.9 -9.6 6.2 77 95 A N B >> -P 82 0D 66 5,-2.6 4,-2.2 1,-0.1 5,-0.6 -0.952 7.8-164.3-116.1 110.2 34.5 -7.6 3.4 78 96 A S T 45S+ 0 0 78 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.704 86.3 58.0 -70.8 -18.3 34.1 -3.9 4.0 79 97 A N T 45S+ 0 0 151 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.964 124.0 19.8 -72.4 -49.4 35.1 -3.1 0.4 80 98 A T T 45S- 0 0 69 2,-0.1 -2,-0.2 76,-0.0 -1,-0.1 0.571 96.3-128.7 -95.8 -12.2 32.3 -5.1 -1.2 81 99 A L T ><5 + 0 0 28 -4,-2.2 3,-0.9 1,-0.3 -3,-0.2 0.581 50.8 161.0 63.2 14.5 30.0 -5.4 1.8 82 100 A N B 3 < +P 77 0D 37 -5,-0.6 -5,-2.6 1,-0.3 -1,-0.3 -0.440 68.1 14.7 -63.0 135.8 30.0 -9.1 1.2 83 101 A N T 3 S- 0 0 16 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.905 80.6-179.1 64.4 46.6 28.8 -10.8 4.4 84 102 A D < + 0 0 1 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.515 36.4 114.2 -82.1 75.9 27.5 -7.6 5.9 85 103 A I + 0 0 0 -2,-2.1 -12,-2.6 -47,-0.3 2,-0.3 -0.997 36.6 176.9-151.5 140.6 26.4 -9.0 9.2 86 104 A M E -MO 37 72C 0 -49,-2.5 -49,-3.5 -2,-0.3 2,-0.4 -0.991 18.7-141.9-147.7 143.9 27.4 -8.7 12.7 87 105 A L E -MO 36 71C 0 -16,-2.8 -16,-3.2 -2,-0.3 2,-0.5 -0.864 13.1-163.9-103.2 143.0 26.1 -10.0 16.0 88 106 A I E -MO 35 70C 0 -53,-3.0 -53,-3.3 -2,-0.4 2,-0.5 -0.994 6.7-152.1-129.4 124.5 26.1 -7.9 19.1 89 107 A K E -MO 34 69C 47 -20,-3.1 -21,-3.4 -2,-0.5 -20,-1.5 -0.836 19.1-129.2 -93.8 133.5 25.7 -9.5 22.5 90 108 A L E - 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