==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 06-MAR-03 1O3D . COMPND 2 MOLECULE: BETA-TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR B.A.KATZ,K.ELROD,E.VERNER,R.L.MACKMAN,C.LUONG,W.D.SHRADER, . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9187.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 60.1 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 . 17 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 8.5 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 3 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 128.6 52.8 -3.6 25.4 2 17 A V B +A 171 0A 11 169,-2.9 169,-2.0 1,-0.2 123,-0.1 -0.899 360.0 6.2-108.9 134.5 52.8 -7.3 24.4 3 18 A G S S+ 0 0 48 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.686 101.7 121.0 67.7 24.1 55.0 -8.4 21.5 4 19 A G - 0 0 33 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.116 55.9-117.9-100.1-162.7 56.6 -5.0 21.1 5 20 A Y E -B 137 0B 93 132,-2.5 132,-2.9 -3,-0.1 2,-0.4 -0.909 34.6 -82.8-136.8 165.6 60.3 -3.9 21.3 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.554 35.7-148.8 -70.3 121.5 62.4 -1.7 23.5 7 22 A a - 0 0 18 128,-2.2 -1,-0.2 -2,-0.4 129,-0.1 0.897 34.9-117.0 -59.1 -44.3 62.0 1.8 22.2 8 23 A G > - 0 0 28 127,-0.5 3,-1.7 -3,-0.0 4,-0.2 0.041 49.1 -53.9 110.8 140.2 65.5 3.0 23.1 9 24 A A T 3 S- 0 0 57 1,-0.2 44,-0.1 2,-0.1 43,-0.0 -0.192 117.6 -11.7 -53.8 127.1 66.0 5.9 25.6 10 25 A N T 3 S+ 0 0 39 42,-0.3 -1,-0.2 2,-0.1 43,-0.1 0.666 89.6 127.0 55.6 28.7 64.1 9.1 24.8 11 26 A T S < S+ 0 0 80 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.534 76.3 48.0 -86.5 -6.7 63.1 8.1 21.3 12 27 A V S > S+ 0 0 9 -4,-0.2 3,-1.7 87,-0.1 -1,-0.3 -0.685 73.2 173.0-130.0 73.6 59.5 8.9 22.1 13 28 A P T 3 S+ 0 0 32 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.559 71.6 58.0 -67.1 -12.1 60.0 12.3 23.8 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.3 88,-0.1 2,-0.3 0.460 81.3 108.9 -96.0 -4.2 56.2 13.1 24.1 15 30 A Q E < -J 28 0C 7 -3,-1.7 36,-0.4 13,-0.2 37,-0.4 -0.548 47.5-176.0 -74.7 132.1 55.6 10.0 26.2 16 31 A V E -J 27 0C 0 11,-2.2 11,-1.1 -2,-0.3 2,-0.4 -0.869 20.2-138.3-126.2 161.7 54.8 10.7 29.9 17 32 A S E -JK 26 49C 0 32,-2.1 32,-2.7 -2,-0.3 2,-0.6 -0.966 14.8-141.4-117.2 133.8 54.2 8.3 32.9 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.2 -2,-0.4 7,-1.1 -0.883 29.3-169.0 -99.6 126.1 51.4 9.3 35.3 19 34 A N E +JK 23 47C 17 28,-2.8 28,-2.3 -2,-0.6 4,-0.2 -0.973 35.4 165.7-125.8 135.6 52.7 8.4 38.8 20 37 A S S S- 0 0 37 2,-2.0 3,-0.1 -2,-0.4 26,-0.1 -0.413 97.2 -47.7-135.7 47.9 51.1 8.2 42.3 21 38 A G S S+ 0 0 72 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.446 139.2 31.0 98.6 -1.5 53.9 6.3 44.0 22 39 A Y S S- 0 0 128 -4,-0.0 -2,-2.0 0, 0.0 2,-0.4 -0.922 101.0 -85.2-173.1 163.3 54.0 3.8 41.0 23 40 A H E +J 19 0C 30 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.706 49.8 158.2 -82.6 126.5 53.3 4.0 37.3 24 41 A F E + 0 0 30 -6,-2.2 2,-0.3 -2,-0.4 151,-0.3 0.603 60.7 5.3-123.9 -23.4 49.5 3.6 36.6 25 42 A b E -J 18 0C 7 -7,-1.1 -7,-3.1 151,-0.1 -1,-0.4 -0.980 60.9-127.5-155.7 166.0 49.0 5.2 33.1 26 43 A G E +J 17 0C 1 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.426 25.0 178.2-105.3-178.5 50.7 6.9 30.2 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.2 -2,-0.2 2,-0.4 -0.958 24.2-114.5-171.1 175.2 50.0 10.2 28.5 28 45 A S E -JL 15 36C 1 8,-2.1 8,-2.3 -2,-0.3 2,-0.5 -0.993 18.9-131.5-130.1 133.7 51.2 12.5 25.8 29 46 A L E + L 0 35C 0 -15,-2.3 74,-2.0 -2,-0.4 6,-0.2 -0.722 27.4 173.4 -81.9 122.2 52.7 16.0 26.1 30 47 A I E - 0 0 19 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.573 69.7 -8.8-107.6 -11.5 50.9 18.3 23.6 31 48 A N E > S- L 0 34C 48 3,-1.2 3,-0.7 70,-0.1 -1,-0.3 -0.926 91.8 -78.3-164.6 177.4 52.5 21.6 24.7 32 49 A S T 3 S+ 0 0 46 -2,-0.3 62,-2.9 1,-0.2 60,-0.1 0.632 126.6 30.0 -68.8 -9.8 54.7 22.6 27.6 33 50 A Q T 3 S+ 0 0 61 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.399 110.6 67.8-125.6 2.9 52.0 22.8 30.2 34 51 A W E < -LM 31 89C 10 -3,-0.7 -4,-2.3 55,-0.2 -3,-1.2 -0.981 48.2-173.7-134.2 143.4 49.4 20.2 29.1 35 52 A V E -LM 29 88C 0 53,-2.4 53,-2.8 -2,-0.4 2,-0.4 -0.922 15.3-144.8-124.9 147.8 49.2 16.4 28.7 36 53 A V E +LM 28 87C 0 -8,-2.3 -8,-2.1 -2,-0.3 2,-0.2 -0.940 33.4 147.0-115.5 135.5 46.4 14.3 27.2 37 54 A S E - M 0 86C 0 49,-2.8 49,-2.4 -2,-0.4 2,-0.4 -0.727 50.0 -67.2-146.1-164.5 45.5 11.0 28.7 38 55 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.757 32.8-130.7 -99.7 142.6 42.5 8.8 29.2 39 56 A A G > S+ 0 0 3 -2,-0.4 3,-1.7 1,-0.3 -1,-0.1 0.826 106.0 62.3 -60.2 -33.2 39.6 9.7 31.5 40 57 A H G 3 S+ 0 0 70 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.540 92.7 65.1 -75.3 0.4 39.6 6.4 33.2 41 58 A b G < S+ 0 0 6 -3,-1.8 -1,-0.3 -15,-0.0 -2,-0.2 0.410 77.8 129.2 -96.0 -0.0 43.2 7.0 34.4 42 59 A Y < + 0 0 121 -3,-1.7 2,-0.3 -4,-0.1 -3,-0.0 -0.262 20.5 131.7 -59.8 139.8 41.8 9.9 36.6 43 60 A K - 0 0 57 3,-0.0 3,-0.2 0, 0.0 2,-0.2 -0.933 53.5-101.5-171.9 166.8 42.8 10.1 40.3 44 61 A S S S+ 0 0 97 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.611 96.1 49.0 -98.3 164.7 44.0 12.8 42.6 45 62 A G S S+ 0 0 65 1,-0.2 2,-0.5 -2,-0.2 -1,-0.2 0.913 73.0 165.8 76.6 44.0 47.7 13.0 43.6 46 63 A I - 0 0 11 -3,-0.2 21,-2.1 21,-0.1 2,-0.5 -0.794 20.6-169.8 -98.8 133.2 49.1 12.7 40.0 47 64 A Q E -KN 19 66C 52 -28,-2.3 -28,-2.8 -2,-0.5 2,-0.5 -0.980 17.6-141.5-116.7 129.6 52.7 13.5 39.4 48 65 A V E -KN 18 65C 0 17,-3.2 17,-2.8 -2,-0.5 2,-0.6 -0.813 12.2-157.1 -95.5 130.2 53.6 13.6 35.6 49 65AA R E -KN 17 64C 50 -32,-2.7 -32,-2.1 -2,-0.5 3,-0.3 -0.951 12.4-175.4-117.4 113.6 57.0 12.2 34.8 50 66 A L E + N 0 63C 1 13,-3.0 13,-1.8 -2,-0.6 -34,-0.1 -0.630 60.4 30.0-102.4 158.5 58.6 13.4 31.6 51 69 A G S S+ 0 0 6 -36,-0.4 2,-0.2 -38,-0.3 -1,-0.2 0.703 83.6 152.5 63.2 28.2 61.9 12.3 29.9 52 70 A E + 0 0 10 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.536 23.7 151.7 -90.5 152.5 61.7 8.8 31.3 53 71 A D S S+ 0 0 16 1,-0.4 2,-0.7 4,-0.3 -1,-0.2 0.255 82.5 33.3-136.5 -79.3 63.0 5.6 29.9 54 72 A N S > S- 0 0 22 80,-0.2 3,-0.9 1,-0.2 -1,-0.4 -0.735 73.2-163.0 -81.3 114.5 63.7 3.3 33.0 55 73 A I T 3 S+ 0 0 29 78,-2.5 -1,-0.2 -2,-0.7 79,-0.1 0.564 86.3 52.7 -77.1 -5.5 60.8 4.4 35.4 56 74 A N T 3 S+ 0 0 117 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.432 106.4 55.7-105.4 -3.8 62.5 2.8 38.4 57 75 A V S < S- 0 0 71 -3,-0.9 2,-0.8 76,-0.2 -4,-0.3 -0.997 75.7-133.3-129.0 135.4 66.0 4.5 38.0 58 76 A V + 0 0 113 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.793 37.5 163.7 -88.3 113.2 66.7 8.3 37.8 59 77 A E - 0 0 106 -2,-0.8 -1,-0.2 1,-0.3 2,-0.1 0.519 54.9 -89.2-107.2 -12.9 69.1 8.3 34.7 60 78 A G S S+ 0 0 33 -3,-0.1 -1,-0.3 -9,-0.0 3,-0.1 -0.175 102.9 68.3 111.8 155.4 68.9 11.9 33.9 61 79 A N + 0 0 67 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.176 69.7 132.0 86.0 -8.6 66.5 13.9 31.6 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.419 35.9-172.2 -73.7 147.0 63.6 13.3 33.9 63 81 A Q E -N 50 0C 34 -13,-1.8 -13,-3.0 -2,-0.1 2,-0.5 -0.985 6.8-161.6-138.4 125.4 61.3 16.2 34.9 64 82 A F E +N 49 0C 80 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.968 17.9 171.5-112.6 117.1 58.7 15.4 37.7 65 83 A I E -N 48 0C 14 -17,-2.8 -17,-3.2 -2,-0.5 2,-0.1 -0.991 29.5-124.8-131.4 137.1 55.9 17.9 37.7 66 84 A S E -N 47 0C 49 -2,-0.4 25,-3.0 -19,-0.2 26,-0.3 -0.479 29.5-111.5 -78.8 152.0 52.7 17.8 39.7 67 85 A A E -O 90 0C 23 -21,-2.1 23,-0.3 23,-0.2 3,-0.1 -0.661 20.5-162.1 -79.1 137.4 49.4 18.1 37.9 68 86 A S E S- 0 0 78 21,-3.1 2,-0.3 1,-0.4 22,-0.2 0.822 75.0 -11.5 -88.9 -39.4 47.6 21.4 38.8 69 87 A K E -O 89 0C 87 20,-1.2 20,-2.9 2,-0.0 2,-0.4 -0.982 56.9-146.8-157.3 152.4 44.2 20.1 37.5 70 88 A S E -O 88 0C 32 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.979 12.9-158.8-122.4 134.4 42.8 17.2 35.5 71 89 A I E -O 87 0C 34 16,-3.0 16,-2.0 -2,-0.4 2,-0.3 -0.929 4.9-161.2-120.1 102.1 39.8 17.8 33.2 72 90 A V E -O 86 0C 44 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.601 40.3 -93.0 -80.3 142.9 37.9 14.6 32.4 73 91 A H > - 0 0 23 12,-1.9 3,-1.9 10,-0.3 -1,-0.1 -0.356 34.1-129.2 -56.9 131.8 35.6 15.0 29.3 74 92 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.773 107.1 48.5 -57.0 -28.3 32.1 16.0 30.7 75 93 A S T 3 S+ 0 0 79 8,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.108 78.0 139.3-101.6 22.1 30.4 13.3 28.7 76 94 A Y < - 0 0 57 -3,-1.9 2,-0.6 9,-0.1 7,-0.2 -0.496 37.7-159.3 -66.6 133.9 32.8 10.5 29.7 77 95 A N B >> -P 82 0D 63 5,-2.0 4,-2.6 -2,-0.2 5,-0.5 -0.965 7.7-162.4-117.4 111.5 30.8 7.3 30.4 78 96 A S T 45S+ 0 0 80 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.639 88.1 55.7 -71.6 -10.9 32.7 4.8 32.6 79 97 A N T 45S+ 0 0 148 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.847 124.4 20.3 -88.9 -36.9 30.5 2.0 31.5 80 98 A T T 45S- 0 0 66 -3,-0.2 -2,-0.2 2,-0.1 77,-0.1 0.664 94.5-133.1-102.2 -18.0 31.1 2.3 27.8 81 99 A L T ><5 + 0 0 32 -4,-2.6 3,-0.9 1,-0.3 2,-0.2 0.655 48.0 159.8 69.8 25.1 34.3 4.3 27.9 82 100 A N B 3 < +P 77 0D 35 -5,-0.5 -5,-2.0 1,-0.3 -1,-0.3 -0.578 66.5 18.5 -74.5 140.6 32.9 6.6 25.3 83 101 A N T 3 S+ 0 0 18 -2,-0.2 2,-2.1 -7,-0.2 -10,-0.3 0.886 79.1 173.6 63.9 45.3 34.8 9.9 25.5 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.489 33.6 113.3 -82.7 74.7 37.7 8.3 27.3 85 103 A I + 0 0 0 -2,-2.1 -12,-1.9 -47,-0.3 2,-0.3 -0.992 37.9 179.5-145.3 147.0 40.0 11.4 27.2 86 104 A M E -MO 37 72C 0 -49,-2.4 -49,-2.8 -2,-0.3 2,-0.4 -0.985 17.7-143.3-147.4 148.4 41.3 13.8 29.9 87 105 A L E -MO 36 71C 0 -16,-2.0 -16,-3.0 -2,-0.3 2,-0.4 -0.903 12.6-160.0-113.9 142.5 43.6 16.8 29.8 88 106 A I E -MO 35 70C 0 -53,-2.8 -53,-2.4 -2,-0.4 2,-0.4 -0.995 5.6-152.0-124.9 129.7 46.1 17.4 32.7 89 107 A K E -MO 34 69C 45 -20,-2.9 -21,-3.1 -2,-0.4 -20,-1.2 -0.835 20.4-130.0-100.8 138.5 47.5 20.9 33.3 90 108 A L E - 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