==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-AUG-97 1AUJ . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR R.ALEXANDER,A.SMALLWOOD,C.KETTNER . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9088.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 61.9 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 . 72 32.3 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 0.4 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 . 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 . 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 . 4 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 2 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 131.6 35.6 20.4 19.0 2 17 A V B +A 171 0A 10 169,-3.7 169,-2.1 1,-0.2 123,-0.1 -0.905 360.0 4.2-105.4 134.9 37.8 19.8 16.0 3 18 A G S S+ 0 0 45 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.736 102.2 117.8 70.5 23.8 39.5 22.6 14.2 4 19 A G - 0 0 36 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.132 58.0-111.7-103.0-157.0 38.3 25.2 16.6 5 20 A Y E -B 137 0B 118 132,-2.9 132,-3.5 -3,-0.1 2,-0.5 -0.880 34.3 -86.0-137.3 167.0 40.0 27.7 19.0 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.658 37.2-147.6 -78.0 122.2 40.5 28.2 22.7 7 22 A a - 0 0 17 128,-2.1 -1,-0.2 -2,-0.5 129,-0.1 0.885 34.5-112.6 -59.4 -42.6 37.5 30.3 23.8 8 23 A G > - 0 0 27 127,-0.5 3,-1.9 -3,-0.1 4,-0.3 0.031 48.0 -60.5 104.9 133.1 39.2 32.2 26.5 9 24 A A T 3 S- 0 0 47 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.194 116.5 -11.0 -55.3 122.2 38.2 31.8 30.2 10 25 A N T 3 S+ 0 0 21 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.626 93.2 123.3 67.7 17.4 34.6 32.5 31.0 11 26 A T S < S+ 0 0 85 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.1 0.548 74.1 52.2 -83.3 -9.8 33.9 34.1 27.6 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-2.2 87,-0.1 -1,-0.2 -0.669 75.3 174.7-119.9 74.8 31.1 31.6 27.1 13 28 A P T 3 + 0 0 31 0, 0.0 88,-1.1 0, 0.0 38,-0.3 0.655 69.1 54.9 -75.3 -12.5 29.3 32.3 30.3 14 29 A Y T 3 S+ 0 0 20 86,-0.2 15,-2.5 88,-0.1 2,-0.4 0.442 81.2 112.3 -93.8 -4.2 26.2 30.1 29.8 15 30 A Q E < -J 28 0C 6 -3,-2.2 36,-0.5 13,-0.2 37,-0.4 -0.590 46.5-173.9 -75.2 128.3 28.2 27.0 29.1 16 31 A V E -JK 27 50C 0 11,-2.1 11,-1.1 -2,-0.4 2,-0.5 -0.847 18.5-140.3-116.3 156.9 27.9 24.3 31.8 17 32 A S E -JK 26 49C 1 32,-2.4 32,-3.0 -2,-0.3 2,-0.5 -0.972 14.4-141.9-111.8 131.7 29.7 21.0 32.2 18 33 A L E -JK 25 48C 0 7,-2.9 6,-2.4 -2,-0.5 7,-1.0 -0.844 24.5-168.1 -91.7 127.3 27.7 18.0 33.5 19 34 A N E +JK 23 47C 23 28,-2.9 28,-2.7 -2,-0.5 4,-0.2 -0.958 30.8 166.2-124.8 128.3 29.8 15.9 35.9 20 37 A S S S- 0 0 35 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.357 98.9 -45.4-125.3 47.4 29.2 12.4 37.4 21 38 A G S S+ 0 0 70 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.115 140.9 26.1 106.0 -14.4 32.7 12.0 38.7 22 39 A Y S S- 0 0 139 -4,-0.0 -2,-2.2 0, 0.0 2,-0.3 -0.948 102.1 -79.8-167.8 158.2 34.0 13.4 35.4 23 40 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.590 51.4 158.0 -67.4 130.2 32.7 15.6 32.6 24 41 A F E + 0 0 35 -6,-2.4 2,-0.3 1,-0.4 151,-0.2 0.488 59.0 7.3-128.4 -16.8 30.4 13.6 30.3 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-2.9 151,-0.1 -1,-0.4 -0.979 61.7-124.2-161.3 158.9 28.3 16.3 28.6 26 43 A G E +J 17 0C 2 151,-3.5 12,-0.4 -2,-0.3 2,-0.3 -0.466 27.7 173.1 -96.7 179.9 27.8 19.9 28.0 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.1 -2,-0.2 2,-0.4 -0.963 25.1-113.5-169.7-179.4 24.7 22.1 28.6 28 45 A S E -JL 15 36C 0 8,-2.2 8,-2.5 -2,-0.3 2,-0.5 -0.995 20.1-126.8-134.8 135.4 23.4 25.6 28.6 29 46 A L E + L 0 35C 1 -15,-2.5 74,-2.4 -2,-0.4 6,-0.2 -0.694 29.2 171.0 -79.6 120.9 22.2 27.8 31.4 30 47 A I E - 0 0 18 4,-2.2 2,-0.3 -2,-0.5 75,-0.2 0.599 68.6 -11.2-107.5 -20.3 18.7 29.2 30.5 31 48 A N E > S- L 0 34C 47 3,-1.3 3,-1.1 70,-0.1 -1,-0.4 -0.934 88.4 -77.0-161.3-178.5 17.9 30.7 33.9 32 49 A S T 3 S+ 0 0 43 -2,-0.3 62,-3.4 1,-0.3 60,-0.1 0.610 128.5 26.0 -61.6 -13.7 19.3 30.7 37.4 33 50 A Q T 3 S+ 0 0 58 60,-0.2 57,-2.6 1,-0.1 2,-0.4 0.381 109.7 71.9-129.8 2.7 17.8 27.2 38.1 34 51 A W E < -LM 31 89C 11 -3,-1.1 -4,-2.2 55,-0.2 -3,-1.3 -0.969 47.9-172.0-134.6 135.9 17.5 25.4 34.8 35 52 A V E -LM 29 88C 0 53,-2.6 53,-2.9 -2,-0.4 2,-0.4 -0.965 12.9-147.7-120.7 142.4 19.9 23.9 32.3 36 53 A V E +LM 28 87C 0 -8,-2.5 -8,-2.2 -2,-0.4 2,-0.2 -0.920 30.3 151.1-109.3 136.9 19.1 22.5 28.9 37 54 A S E - M 0 86C 0 49,-2.7 49,-2.4 -2,-0.4 2,-0.4 -0.783 49.5 -68.4-142.3-172.8 21.1 19.6 27.5 38 55 A A > - 0 0 0 -12,-0.4 3,-2.2 47,-0.3 47,-0.3 -0.745 34.8-133.9 -85.8 138.2 20.8 16.6 25.1 39 56 A A G > S+ 0 0 4 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.820 106.4 65.4 -60.6 -31.3 18.4 13.8 26.2 40 57 A H G 3 S+ 0 0 67 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.563 92.6 64.3 -65.2 -9.3 21.1 11.3 25.3 41 58 A b G < S+ 0 0 4 -3,-2.2 -1,-0.3 -15,-0.0 -2,-0.2 0.435 77.9 129.6 -89.2 -1.7 23.1 12.8 28.1 42 59 A Y < + 0 0 126 -3,-1.9 2,-0.3 -4,-0.1 -3,-0.0 -0.259 21.2 131.5 -59.9 138.5 20.6 11.6 30.7 43 60 A K - 0 0 56 3,-0.0 3,-0.2 0, 0.0 2,-0.2 -0.923 53.0 -97.3-168.4 166.8 21.8 9.8 33.7 44 61 A S S S+ 0 0 96 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.510 95.5 40.9 -85.1 162.0 21.3 9.9 37.5 45 62 A G S S+ 0 0 68 1,-0.2 2,-0.5 -2,-0.2 -1,-0.2 0.913 73.3 169.5 72.4 46.3 23.7 11.6 39.9 46 63 A I - 0 0 11 -3,-0.2 21,-2.2 21,-0.1 2,-0.5 -0.785 19.6-167.5 -97.6 127.6 24.4 14.7 37.9 47 64 A Q E -KN 19 66C 51 -28,-2.7 -28,-2.9 -2,-0.5 2,-0.5 -0.958 18.4-139.5-105.3 132.1 26.3 17.7 39.3 48 65 A V E -KN 18 65C 0 17,-3.4 17,-2.7 -2,-0.5 2,-0.6 -0.798 12.7-158.9 -93.6 124.6 26.2 20.8 37.2 49 65AA R E -KN 17 64C 55 -32,-3.0 -32,-2.4 -2,-0.5 3,-0.3 -0.919 14.3-179.5-108.0 113.2 29.4 22.8 37.0 50 66 A L E +KN 16 63C 2 13,-3.1 13,-1.7 -2,-0.6 -34,-0.1 -0.659 58.7 34.6-103.8 164.2 29.1 26.4 36.0 51 69 A G S S+ 0 0 5 -36,-0.5 10,-0.3 -38,-0.3 2,-0.2 0.734 84.0 155.4 70.9 22.4 31.7 29.1 35.5 52 70 A E + 0 0 10 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.545 24.0 149.2 -88.2 144.1 34.3 26.6 34.1 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.8 4,-0.3 -1,-0.1 0.272 82.2 32.4-118.7 -83.5 37.2 27.0 31.9 54 72 A N S > S- 0 0 30 80,-0.2 3,-1.2 1,-0.2 -1,-0.4 -0.646 71.7-162.7 -70.1 111.6 39.8 24.4 32.9 55 73 A I T 3 S+ 0 0 32 78,-2.6 -1,-0.2 -2,-0.8 79,-0.1 0.533 87.9 52.1 -76.2 -8.0 37.6 21.5 34.1 56 74 A N T 3 S+ 0 0 121 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.361 107.2 57.5-104.6 1.8 40.5 19.9 35.9 57 75 A V S < S- 0 0 75 -3,-1.2 2,-0.9 76,-0.2 -4,-0.3 -0.999 76.7-131.0-135.9 133.3 41.5 23.0 37.9 58 76 A V + 0 0 111 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.1 -0.780 31.6 172.8 -79.4 105.3 39.5 25.1 40.3 59 77 A E - 0 0 95 -2,-0.9 -1,-0.2 -5,-0.2 -7,-0.0 0.551 52.8 -99.6 -96.2 -13.6 40.2 28.6 38.9 60 78 A G S S+ 0 0 60 -3,-0.1 -8,-0.1 -9,-0.0 -2,-0.1 0.338 103.2 80.7 118.0 -4.5 37.9 30.5 41.2 61 79 A N + 0 0 59 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.376 64.8 116.7-114.3 8.2 34.7 31.2 39.1 62 80 A E - 0 0 31 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.409 41.8-167.3 -86.3 148.3 33.0 27.9 39.4 63 81 A Q E -N 50 0C 36 -13,-1.7 -13,-3.1 -2,-0.1 2,-0.6 -0.999 9.3-162.4-126.4 124.5 29.6 27.1 41.0 64 82 A F E +N 49 0C 74 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.953 18.0 169.5-111.0 116.4 29.0 23.4 41.5 65 83 A I E -N 48 0C 15 -17,-2.7 -17,-3.4 -2,-0.6 2,-0.2 -0.984 29.5-124.8-133.6 132.9 25.3 22.6 42.0 66 84 A S E -N 47 0C 53 -2,-0.4 25,-3.6 -19,-0.3 26,-0.3 -0.476 27.1-116.6 -75.0 145.4 23.5 19.3 42.1 67 85 A A E -O 90 0C 21 -21,-2.2 23,-0.3 23,-0.3 3,-0.1 -0.631 19.4-166.0 -75.8 135.5 20.5 18.7 39.9 68 86 A S E S- 0 0 60 21,-2.8 2,-0.3 1,-0.4 22,-0.2 0.681 72.8 -3.0 -93.0 -25.6 17.3 18.1 41.8 69 87 A K E -O 89 0C 87 20,-1.4 20,-3.0 2,-0.0 2,-0.4 -0.976 56.8-153.8-162.5 153.6 15.5 16.7 38.8 70 88 A S E -O 88 0C 42 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.973 7.6-160.5-130.0 145.2 15.8 16.0 35.1 71 89 A I E -O 87 0C 34 16,-3.1 16,-2.6 -2,-0.4 2,-0.3 -0.957 5.6-155.8-131.1 112.3 13.2 15.9 32.5 72 90 A V E -O 86 0C 51 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.632 40.7 -90.7 -82.3 143.4 13.7 14.1 29.2 73 91 A H > - 0 0 21 12,-1.9 3,-2.2 -2,-0.3 -1,-0.1 -0.274 35.6-124.2 -53.1 133.9 11.5 15.3 26.3 74 92 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.798 108.4 41.9 -55.9 -28.2 8.3 13.1 26.3 75 93 A S T 3 S+ 0 0 72 8,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.078 77.9 144.0-109.1 21.7 9.0 12.0 22.6 76 94 A Y < - 0 0 57 -3,-2.2 2,-0.6 9,-0.1 7,-0.2 -0.447 33.6-159.5 -60.2 128.4 12.7 11.4 22.8 77 95 A N B >> -P 82 0D 65 5,-2.4 4,-2.5 -2,-0.2 5,-0.5 -0.925 7.4-164.0-113.7 111.4 13.7 8.5 20.6 78 96 A S T 45S+ 0 0 82 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.630 87.0 54.2 -70.4 -14.8 17.0 7.0 21.5 79 97 A N T 45S+ 0 0 151 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.915 123.9 21.7 -83.7 -44.7 17.3 5.1 18.2 80 98 A T T 45S- 0 0 72 2,-0.1 -2,-0.2 -3,-0.0 3,-0.1 0.550 96.5-129.5 -97.2 -13.5 16.8 8.0 15.9 81 99 A L T ><5 + 0 0 33 -4,-2.5 3,-0.9 1,-0.3 2,-0.2 0.627 49.8 160.3 67.9 16.6 17.8 10.8 18.3 82 100 A N B 3 < +P 77 0D 38 -5,-0.5 -5,-2.4 1,-0.2 -1,-0.3 -0.503 66.7 15.1 -68.2 132.5 14.6 12.6 17.4 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-1.9 1,-0.2 -10,-0.3 0.872 78.9 178.6 70.0 41.7 13.8 15.1 20.1 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.511 36.5 110.5 -79.1 80.4 17.2 15.0 21.7 85 103 A I + 0 0 0 -2,-1.9 -12,-1.9 -47,-0.3 2,-0.3 -0.988 36.6 173.9-157.7 137.1 16.6 17.5 24.4 86 104 A M E -MO 37 72C 0 -49,-2.4 -49,-2.7 -2,-0.3 2,-0.4 -0.987 20.6-135.8-145.7 156.1 16.3 17.5 28.2 87 105 A L E -MO 36 71C 0 -16,-2.6 -16,-3.1 -2,-0.3 2,-0.4 -0.919 12.4-162.2-115.7 142.1 15.9 19.9 31.1 88 106 A I E -MO 35 70C 0 -53,-2.9 -53,-2.6 -2,-0.4 2,-0.4 -0.989 7.2-151.2-125.3 123.0 17.8 19.8 34.4 89 107 A K E -MO 34 69C 44 -20,-3.0 -21,-2.8 -2,-0.4 -20,-1.4 -0.797 18.3-134.2 -92.1 132.2 16.6 21.7 37.5 90 108 A L E - 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