==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (SERINE PROTEASE) 06-FEB-96 1MAY . COMPND 2 MOLECULE: BETA-TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.BERTRAND,J.OLEKSYSZYN,C.KAM,B.BODUSZEK,S.PRESNELL, . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9217.0 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 . 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 . 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 . 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 . 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 . 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 16 A I 0 0 2 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 126.6 -8.2 8.7 19.3 2 17 A V B +A 171 0A 11 169,-2.9 169,-1.9 1,-0.2 123,-0.1 -0.872 360.0 3.5-104.3 130.2 -10.4 9.4 16.2 3 18 A G S S+ 0 0 45 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.767 101.3 118.6 71.2 27.0 -12.0 6.4 14.4 4 19 A G - 0 0 32 -3,-0.3 2,-0.3 134,-0.1 134,-0.2 -0.290 58.0-112.9-104.3-160.3 -10.8 3.8 16.8 5 20 A Y E -B 137 0B 102 132,-2.3 132,-2.9 -2,-0.1 2,-0.5 -0.811 35.7 -84.5-135.4 161.8 -12.6 1.3 19.0 6 21 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.664 36.8-148.2 -68.5 121.8 -13.0 0.8 22.8 7 22 A a - 0 0 16 128,-2.0 -1,-0.2 -2,-0.5 129,-0.1 0.873 34.2-116.0 -62.1 -42.4 -10.0 -1.2 23.9 8 23 A G > - 0 0 26 127,-0.5 3,-2.0 -3,-0.1 4,-0.3 0.061 48.6 -55.6 107.8 137.5 -11.7 -3.1 26.7 9 24 A A T 3 S- 0 0 50 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.224 117.9 -12.6 -58.3 125.4 -10.7 -2.7 30.3 10 25 A N T 3 S+ 0 0 21 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.704 89.6 128.1 58.0 27.4 -7.1 -3.4 31.0 11 26 A T S < S+ 0 0 84 -3,-2.0 -2,-0.1 1,-0.2 -1,-0.1 0.538 75.9 50.6 -80.4 -4.8 -6.4 -5.0 27.6 12 27 A V S > S+ 0 0 6 -4,-0.3 3,-2.0 87,-0.1 -1,-0.2 -0.640 73.8 175.0-126.5 76.8 -3.4 -2.5 27.1 13 28 A P T 3 S+ 0 0 29 0, 0.0 88,-1.2 0, 0.0 38,-0.3 0.625 72.7 56.2 -70.1 -15.7 -1.7 -3.2 30.5 14 29 A Y T 3 S+ 0 0 23 86,-0.2 15,-2.2 88,-0.1 2,-0.3 0.424 79.4 114.7 -89.3 -5.0 1.4 -0.9 29.8 15 30 A Q E < -J 28 0C 7 -3,-2.0 36,-0.5 13,-0.2 37,-0.4 -0.595 47.3-168.0 -71.9 133.2 -0.8 2.2 29.1 16 31 A V E -J 27 0C 0 11,-2.5 11,-1.1 -2,-0.3 2,-0.4 -0.861 14.8-146.4-116.1 147.9 -0.3 5.0 31.7 17 32 A S E -JK 26 49C 1 32,-2.3 32,-2.8 -2,-0.3 2,-0.6 -0.963 14.3-144.7-109.7 134.8 -2.3 8.2 32.3 18 33 A L E -JK 25 48C 0 7,-2.9 6,-2.2 -2,-0.4 7,-0.9 -0.899 23.0-169.4 -97.1 125.6 -0.2 11.2 33.4 19 34 A N E +JK 23 47C 24 28,-2.8 28,-2.4 -2,-0.6 4,-0.2 -0.935 30.4 167.9-121.8 132.1 -2.3 13.3 35.9 20 35 A S S S- 0 0 32 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.356 96.4 -47.9-126.7 47.0 -1.7 16.7 37.3 21 38 A G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.186 140.8 29.1 103.8 -14.7 -5.2 17.2 38.7 22 39 A Y S S- 0 0 133 -4,-0.1 -2,-2.2 0, 0.0 2,-0.3 -0.941 102.5 -84.0-165.0 160.6 -6.6 16.0 35.4 23 40 A H E +J 19 0C 35 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.635 51.4 157.9 -74.4 132.6 -5.4 13.6 32.6 24 41 A F E + 0 0 33 -6,-2.2 2,-0.3 1,-0.5 151,-0.2 0.484 59.1 5.3-131.6 -14.0 -3.1 15.5 30.2 25 42 A b E -J 18 0C 7 -7,-0.9 -7,-2.9 151,-0.1 -1,-0.5 -0.980 62.3-124.6-163.6 158.2 -0.9 12.9 28.4 26 43 A G E -J 17 0C 0 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.414 26.7-179.7 -96.4-177.8 -0.4 9.1 28.1 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.5 -2,-0.2 2,-0.4 -0.952 23.1-116.7-166.8 178.1 2.7 7.2 28.7 28 45 A S E -JL 15 36C 0 8,-2.2 8,-2.7 -2,-0.3 2,-0.6 -0.992 18.8-131.5-133.1 130.9 4.1 3.6 28.6 29 46 A L E + L 0 35C 0 -15,-2.2 74,-2.4 -2,-0.4 6,-0.2 -0.704 26.1 175.0 -80.3 123.3 5.4 1.5 31.5 30 47 A I E - 0 0 17 4,-2.1 2,-0.3 -2,-0.6 -1,-0.2 0.578 69.0 -8.9-107.5 -10.6 8.8 0.0 30.5 31 48 A N E > S- L 0 34C 57 3,-1.1 3,-0.9 70,-0.1 -1,-0.3 -0.938 91.9 -77.1-166.6 178.6 9.7 -1.6 33.8 32 49 A S T 3 S+ 0 0 43 -2,-0.3 62,-2.9 1,-0.2 60,-0.1 0.715 127.1 28.3 -67.8 -14.7 8.3 -1.4 37.4 33 50 A Q T 3 S+ 0 0 59 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.418 109.5 71.0-123.3 7.2 9.7 2.0 38.2 34 51 A W E < -LM 31 89C 7 -3,-0.9 -4,-2.1 55,-0.2 -3,-1.1 -0.967 48.4-172.2-134.2 140.7 10.0 3.8 34.8 35 52 A V E -LM 29 88C 0 53,-2.3 53,-2.5 -2,-0.4 2,-0.4 -0.968 12.9-150.0-123.4 135.5 7.5 5.4 32.3 36 53 A V E +LM 28 87C 0 -8,-2.7 -8,-2.2 -2,-0.4 2,-0.3 -0.873 30.4 148.4-106.0 140.6 8.4 6.7 28.9 37 54 A S E - M 0 86C 0 49,-2.4 49,-2.2 -2,-0.4 2,-0.3 -0.840 51.0 -64.1-146.5-166.5 6.4 9.6 27.4 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.715 34.6-134.3 -89.2 138.8 6.7 12.6 25.1 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-2.1 1,-0.3 -1,-0.1 0.825 105.7 66.2 -62.6 -30.1 9.1 15.5 26.3 40 57 A H G 3 S+ 0 0 70 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.632 93.2 62.0 -68.3 -8.6 6.3 18.0 25.2 41 58 A b G < S+ 0 0 4 -3,-1.7 -1,-0.3 2,-0.0 -2,-0.2 0.460 75.9 133.6 -87.8 -1.2 4.2 16.5 28.0 42 59 A Y < + 0 0 138 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.0 -0.290 22.4 152.1 -58.8 135.5 6.8 17.6 30.7 43 60 A K - 0 0 54 0, 0.0 3,-0.4 0, 0.0 2,-0.2 -0.954 45.0-109.8-154.5 153.9 5.2 19.2 33.7 44 62 A S S S+ 0 0 103 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.637 97.0 31.1 -85.6 152.5 6.3 19.5 37.3 45 63 A G S S+ 0 0 64 -2,-0.2 2,-0.2 1,-0.2 -1,-0.2 0.852 77.7 175.9 75.2 38.5 4.2 17.5 39.9 46 64 A I - 0 0 7 -3,-0.4 21,-2.3 -26,-0.1 2,-0.5 -0.510 18.0-161.1 -79.6 140.1 3.2 14.5 37.8 47 65 A Q E -KN 19 66C 49 -28,-2.4 -28,-2.8 19,-0.2 2,-0.4 -0.983 15.1-141.8-114.6 131.1 1.2 11.6 39.2 48 66 A V E -KN 18 65C 0 17,-3.1 17,-2.4 -2,-0.5 2,-0.6 -0.804 11.0-158.6 -93.7 130.1 1.3 8.4 37.2 49 67 A R E -KN 17 64C 53 -32,-2.8 -32,-2.3 -2,-0.4 3,-0.3 -0.957 13.1-177.7-116.4 114.9 -1.9 6.4 37.0 50 68 A L E + N 0 63C 2 13,-2.8 13,-1.5 -2,-0.6 -34,-0.1 -0.678 60.7 33.9-101.6 162.1 -1.5 2.7 36.1 51 69 A G S S+ 0 0 7 -36,-0.5 10,-0.3 -38,-0.3 2,-0.3 0.753 83.4 156.9 68.6 19.8 -4.3 0.1 35.7 52 70 A E + 0 0 11 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.540 22.0 148.0 -84.2 136.6 -6.8 2.6 34.3 53 71 A D S S+ 0 0 16 1,-0.4 2,-0.7 4,-0.3 -1,-0.2 0.306 81.6 29.3-118.0 -79.0 -9.7 2.0 32.1 54 72 A N S > S- 0 0 28 80,-0.2 3,-0.9 1,-0.2 -1,-0.4 -0.615 73.7-160.3 -76.7 115.0 -12.3 4.7 33.0 55 73 A I T 3 S+ 0 0 30 78,-2.7 -1,-0.2 -2,-0.7 79,-0.1 0.634 86.6 51.1 -74.2 -8.8 -10.2 7.6 34.1 56 74 A N T 3 S+ 0 0 124 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.501 106.8 58.2-103.8 -0.6 -13.0 9.3 36.0 57 75 A V S < S- 0 0 77 -3,-0.9 2,-0.7 76,-0.2 -4,-0.3 -0.961 77.4-129.4-133.6 135.2 -14.1 6.2 38.0 58 76 A V + 0 0 113 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.822 32.5 170.8 -84.3 116.0 -12.2 4.0 40.5 59 77 A E - 0 0 100 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.466 52.5 -97.6-108.2 -7.3 -12.9 0.5 39.2 60 78 A G S S+ 0 0 62 -9,-0.0 -8,-0.1 0, 0.0 -2,-0.1 0.102 102.2 76.3 118.4 -27.7 -10.4 -1.5 41.3 61 79 A N + 0 0 69 -10,-0.3 -9,-0.1 2,-0.0 2,-0.1 0.416 66.7 111.1-101.4 8.3 -7.2 -2.1 39.3 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 -11,-0.0 -11,-0.2 -0.369 43.6-165.1 -89.0 157.7 -5.4 1.1 39.4 63 81 A Q E -N 50 0C 41 -13,-1.5 -13,-2.8 -2,-0.1 2,-0.6 -0.987 8.6-158.6-130.6 126.0 -2.2 2.1 41.2 64 82 A F E +N 49 0C 74 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.950 18.9 170.4-112.1 121.0 -1.5 5.9 41.6 65 83 A I E -N 48 0C 11 -17,-2.4 -17,-3.1 -2,-0.6 2,-0.1 -0.996 28.2-128.5-132.8 129.6 2.3 6.6 42.1 66 84 A S E -N 47 0C 44 -2,-0.4 25,-3.0 -19,-0.3 26,-0.3 -0.485 27.7-111.0 -76.8 153.6 3.9 10.1 42.1 67 85 A A E -O 90 0C 24 -21,-2.3 23,-0.3 23,-0.2 3,-0.1 -0.604 24.6-170.7 -79.6 140.6 6.9 10.7 39.9 68 86 A S E S+ 0 0 78 21,-2.9 2,-0.3 1,-0.4 22,-0.2 0.747 73.2 11.5 -98.1 -30.5 10.2 11.3 41.8 69 87 A K E -O 89 0C 85 20,-1.2 20,-2.5 2,-0.0 2,-0.4 -0.994 57.6-162.8-144.6 145.7 12.2 12.4 38.8 70 88 A S E -O 88 0C 40 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.993 8.1-167.5-127.7 135.1 11.6 13.4 35.1 71 89 A I E -O 87 0C 35 16,-2.9 16,-2.3 -2,-0.4 2,-0.3 -0.952 6.8-157.5-125.6 109.0 14.4 13.5 32.6 72 90 A V E -O 86 0C 48 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.686 41.5 -87.0 -83.5 145.8 13.7 15.2 29.2 73 91 A H > - 0 0 21 12,-2.1 3,-2.0 -2,-0.3 -1,-0.1 -0.200 36.5-124.9 -49.9 135.2 15.9 14.0 26.3 74 92 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.790 108.9 42.6 -58.4 -28.9 19.1 16.2 26.3 75 93 A S T 3 S+ 0 0 73 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.118 77.7 142.7-104.5 19.4 18.5 17.2 22.7 76 94 A Y < - 0 0 58 -3,-2.0 2,-0.6 9,-0.1 7,-0.2 -0.425 33.0-162.3 -61.4 129.6 14.7 17.9 22.8 77 95 A N B >> -P 82 0D 69 5,-2.2 4,-2.3 -2,-0.1 5,-0.6 -0.950 7.4-162.6-114.7 113.6 13.9 20.8 20.6 78 96 A S T 45S+ 0 0 80 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.695 87.2 55.5 -71.6 -15.5 10.4 22.3 21.4 79 97 A N T 45S+ 0 0 149 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.957 123.7 21.4 -83.2 -44.1 10.1 24.1 18.2 80 98 A T T 45S- 0 0 73 2,-0.1 -2,-0.2 76,-0.0 -1,-0.1 0.578 96.1-131.7 -95.3 -14.0 10.7 21.2 15.8 81 99 A L T ><5 + 0 0 31 -4,-2.3 3,-0.8 1,-0.3 2,-0.2 0.675 48.3 160.5 63.4 24.4 9.7 18.5 18.3 82 100 A N B 3 < +P 77 0D 37 -5,-0.6 -5,-2.2 1,-0.3 -1,-0.3 -0.583 66.0 14.6 -72.7 139.7 12.8 16.6 17.4 83 101 A N T 3 S+ 0 0 19 -7,-0.2 2,-1.8 -2,-0.2 -1,-0.3 0.876 79.6 177.9 61.8 46.2 13.7 14.0 20.1 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.514 35.2 110.1 -83.7 80.8 10.3 14.3 21.8 85 103 A I + 0 0 0 -2,-1.8 -12,-2.1 -47,-0.3 2,-0.3 -0.996 37.6 177.4-152.9 144.8 10.8 11.7 24.5 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.4 -2,-0.3 2,-0.4 -0.984 20.1-135.6-150.0 154.7 11.2 11.8 28.3 87 105 A L E -MO 36 71C 0 -16,-2.3 -16,-2.9 -2,-0.3 2,-0.4 -0.885 12.8-162.2-113.9 143.3 11.6 9.3 31.1 88 106 A I E -MO 35 70C 0 -53,-2.5 -53,-2.3 -2,-0.4 2,-0.4 -0.993 7.7-151.0-125.5 122.1 9.7 9.5 34.4 89 107 A K E -MO 34 69C 39 -20,-2.5 -21,-2.9 -2,-0.4 -20,-1.2 -0.812 19.8-129.6 -93.3 135.1 10.9 7.5 37.5 90 108 A L E - 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