==== 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 1O37 . 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) . 9232.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 61.4 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 . 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 . 20 9.0 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 0 1 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 0.000 360.0 360.0 360.0 128.1 53.1 -3.6 25.3 2 17 A V B +A 171 0A 11 169,-2.8 169,-2.0 1,-0.2 123,-0.1 -0.892 360.0 9.5-106.7 136.3 53.0 -7.3 24.2 3 18 A G S S+ 0 0 49 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.627 102.5 120.7 69.8 21.0 55.1 -8.3 21.1 4 19 A G - 0 0 34 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.109 55.4-118.2 -99.6-165.9 57.0 -5.0 21.0 5 20 A Y E -B 137 0B 96 132,-2.7 132,-2.9 -3,-0.1 2,-0.6 -0.870 34.6 -84.8-133.5 168.0 60.6 -3.9 21.2 6 21 A T E -B 136 0B 78 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.611 35.9-150.1 -74.7 118.9 62.8 -1.7 23.4 7 22 A a - 0 0 17 128,-2.0 -1,-0.2 -2,-0.6 129,-0.1 0.847 34.7-113.4 -60.8 -38.4 62.4 1.8 22.2 8 23 A G > - 0 0 27 127,-0.5 3,-1.7 -3,-0.1 4,-0.3 0.134 48.8 -59.5 108.7 134.3 65.9 3.1 23.2 9 24 A A T 3 S- 0 0 56 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.224 117.6 -8.5 -54.7 131.1 66.3 5.8 25.9 10 25 A N T 3 S+ 0 0 36 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.668 89.8 125.1 55.0 31.9 64.5 9.0 25.1 11 26 A T S < S+ 0 0 82 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.591 76.6 50.7 -87.8 -10.6 63.5 8.1 21.5 12 27 A V S > S+ 0 0 9 -4,-0.3 3,-1.7 87,-0.1 -1,-0.3 -0.754 73.6 174.2-123.9 75.8 59.9 8.9 22.4 13 28 A P T 3 S+ 0 0 33 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.616 72.0 55.2 -67.7 -15.1 60.4 12.3 24.0 14 29 A Y T 3 S+ 0 0 19 86,-0.2 15,-2.4 88,-0.1 2,-0.3 0.401 81.6 109.5 -97.1 -0.5 56.7 13.1 24.5 15 30 A Q E < -J 28 0C 7 -3,-1.7 36,-0.5 13,-0.2 37,-0.4 -0.581 47.5-174.5 -77.3 133.2 56.0 9.9 26.6 16 31 A V E -J 27 0C 0 11,-2.5 11,-1.1 -2,-0.3 2,-0.4 -0.868 19.4-136.9-125.9 164.1 55.3 10.5 30.3 17 32 A S E -JK 26 49C 1 32,-2.1 32,-3.0 -2,-0.3 2,-0.6 -0.979 13.8-142.5-119.5 130.5 54.7 8.1 33.2 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.7 -2,-0.4 7,-1.1 -0.867 27.2-170.8 -98.3 123.2 51.9 8.9 35.7 19 34 A N E +JK 23 47C 17 28,-2.7 28,-2.3 -2,-0.6 4,-0.2 -0.966 32.9 167.4-123.4 131.5 53.2 7.9 39.2 20 37 A S S S- 0 0 37 2,-1.9 3,-0.1 -2,-0.4 26,-0.1 -0.391 97.7 -48.1-132.1 46.5 51.4 7.6 42.7 21 38 A G S S+ 0 0 74 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.426 140.1 33.5 98.1 1.1 54.3 5.7 44.4 22 39 A Y S S- 0 0 132 -4,-0.0 -2,-1.9 0, 0.0 2,-0.4 -0.900 101.6 -85.7-172.9 159.5 54.4 3.3 41.4 23 40 A H E +J 19 0C 35 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.625 51.3 157.7 -76.6 126.9 53.8 3.7 37.6 24 41 A F E + 0 0 31 -6,-2.7 2,-0.3 1,-0.4 151,-0.3 0.630 57.3 6.4-127.6 -22.9 50.1 3.2 36.8 25 42 A b E -J 18 0C 7 -7,-1.1 -7,-3.0 151,-0.1 -1,-0.4 -0.970 60.9-126.0-153.6 167.8 49.4 5.0 33.4 26 43 A G E +J 17 0C 2 151,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.464 25.7 176.5-106.5 179.6 51.1 6.7 30.4 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.5 -2,-0.2 2,-0.4 -0.960 24.4-114.7-172.3 171.1 50.4 10.1 28.9 28 45 A S E -JL 15 36C 2 8,-2.4 8,-2.5 -2,-0.3 2,-0.5 -0.984 19.1-130.3-127.3 133.5 51.6 12.5 26.2 29 46 A L E + L 0 35C 0 -15,-2.4 74,-1.8 -2,-0.4 6,-0.2 -0.682 29.0 170.2 -79.8 119.5 53.2 15.9 26.6 30 47 A I E S- 0 0 20 4,-2.0 2,-0.3 -2,-0.5 5,-0.2 0.538 70.4 -3.0-108.1 -10.7 51.4 18.4 24.3 31 48 A N E > S- L 0 34C 44 3,-1.2 3,-0.9 70,-0.1 -1,-0.3 -0.938 89.8 -85.6-164.0 169.9 52.9 21.6 25.6 32 49 A S T 3 S+ 0 0 46 -2,-0.3 62,-2.9 1,-0.2 60,-0.1 0.700 127.0 32.0 -63.5 -16.0 55.4 22.4 28.4 33 50 A Q T 3 S+ 0 0 61 60,-0.2 57,-2.6 1,-0.1 2,-0.4 0.330 110.9 67.1-121.1 7.0 52.5 22.6 31.0 34 51 A W E < -LM 31 89C 13 -3,-0.9 -4,-2.0 55,-0.2 -3,-1.2 -0.982 48.4-174.0-135.4 143.9 50.0 20.1 29.8 35 52 A V E -LM 29 88C 0 53,-2.2 53,-2.3 -2,-0.4 2,-0.4 -0.943 15.1-145.4-127.1 146.9 49.7 16.3 29.3 36 53 A V E +LM 28 87C 0 -8,-2.5 -8,-2.4 -2,-0.3 2,-0.2 -0.928 33.7 144.8-115.3 141.0 46.9 14.3 27.7 37 54 A S E - M 0 86C 0 49,-2.6 49,-2.3 -2,-0.4 2,-0.4 -0.746 50.6 -65.8-150.9-164.3 46.0 10.9 29.1 38 55 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.773 32.3-130.8-102.0 142.5 42.9 8.7 29.6 39 56 A A G > S+ 0 0 3 -2,-0.4 3,-1.7 1,-0.3 -1,-0.1 0.842 105.5 63.0 -58.9 -36.6 40.0 9.6 32.0 40 57 A H G 3 S+ 0 0 74 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.563 94.1 64.8 -71.3 -0.9 40.0 6.2 33.6 41 58 A b G < S+ 0 0 4 -3,-1.8 -1,-0.3 -15,-0.0 -2,-0.2 0.451 77.6 127.5 -94.9 -2.3 43.6 6.9 34.8 42 59 A Y < + 0 0 122 -3,-1.7 2,-0.3 -4,-0.2 -3,-0.0 -0.204 21.6 132.8 -58.5 145.3 42.4 9.6 37.0 43 60 A K - 0 0 52 3,-0.0 3,-0.2 0, 0.0 2,-0.2 -0.922 52.0-100.9-175.7 169.1 43.3 9.8 40.7 44 61 A S S S+ 0 0 96 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.567 95.9 48.2 -99.5 167.7 44.5 12.4 43.1 45 62 A G S S+ 0 0 68 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.950 74.2 167.8 71.6 46.7 48.1 12.5 44.2 46 63 A I - 0 0 11 -3,-0.2 21,-2.0 21,-0.2 2,-0.4 -0.806 21.6-168.7-101.4 135.9 49.7 12.3 40.7 47 64 A Q E -KN 19 66C 49 -28,-2.3 -28,-2.7 -2,-0.4 2,-0.5 -0.969 16.6-144.0-115.1 130.7 53.3 13.0 40.0 48 65 A V E -KN 18 65C 0 17,-3.3 17,-2.4 -2,-0.4 2,-0.6 -0.879 10.8-158.1 -99.7 128.1 54.2 13.2 36.2 49 65AA R E -KN 17 64C 50 -32,-3.0 -32,-2.1 -2,-0.5 3,-0.3 -0.953 12.1-176.6-114.0 116.3 57.5 11.8 35.2 50 66 A L E + N 0 63C 2 13,-2.8 13,-1.8 -2,-0.6 -34,-0.1 -0.671 61.5 29.6-105.3 157.9 59.1 13.1 32.0 51 69 A G S S+ 0 0 5 -36,-0.5 -1,-0.2 -38,-0.3 2,-0.2 0.721 86.2 151.6 66.3 25.6 62.4 12.0 30.2 52 70 A E + 0 0 10 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.488 23.6 151.3 -89.4 158.2 62.1 8.6 31.6 53 71 A D S S+ 0 0 17 4,-0.2 2,-0.9 1,-0.2 82,-0.3 0.248 79.3 35.8-143.2 -70.7 63.3 5.3 30.3 54 72 A N S > S- 0 0 21 3,-0.2 3,-1.2 80,-0.2 80,-0.2 -0.816 71.2-164.4 -93.5 106.0 64.0 2.9 33.2 55 73 A I T 3 S+ 0 0 27 78,-2.1 -1,-0.1 -2,-0.9 79,-0.1 0.572 84.1 53.7 -69.1 -8.7 61.2 3.8 35.7 56 74 A N T 3 S+ 0 0 112 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.487 107.4 51.9-103.1 -6.6 62.9 2.1 38.7 57 75 A V S < S- 0 0 71 -3,-1.2 2,-0.5 76,-0.2 -4,-0.2 -0.999 74.3-134.3-130.2 134.1 66.3 3.9 38.4 58 76 A V + 0 0 112 -2,-0.4 3,-0.1 1,-0.1 -3,-0.1 -0.764 36.7 161.3 -86.8 129.3 67.1 7.6 38.2 59 77 A E - 0 0 112 -2,-0.5 -1,-0.1 1,-0.3 2,-0.1 0.427 56.7 -83.5-125.0 -7.8 69.7 7.7 35.3 60 78 A G S S+ 0 0 38 -9,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.139 103.4 65.5 110.7 152.8 69.6 11.4 34.3 61 79 A N S S+ 0 0 76 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.119 71.0 130.3 86.0 -13.2 67.1 13.5 32.0 62 80 A E - 0 0 31 -13,-0.1 2,-0.4 -11,-0.0 -1,-0.3 -0.375 37.5-171.1 -73.1 149.4 64.2 12.8 34.3 63 81 A Q E -N 50 0C 40 -13,-1.8 -13,-2.8 -3,-0.1 2,-0.5 -0.982 5.5-163.0-137.2 121.2 61.9 15.7 35.5 64 82 A F E +N 49 0C 76 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.960 18.2 170.1-110.5 119.7 59.3 14.8 38.3 65 83 A I E -N 48 0C 23 -17,-2.4 -17,-3.3 -2,-0.5 2,-0.1 -0.998 30.2-122.8-136.2 136.1 56.5 17.5 38.5 66 84 A S E -N 47 0C 52 -2,-0.4 25,-2.5 -19,-0.2 2,-0.4 -0.370 29.0-110.5 -74.8 154.1 53.3 17.3 40.4 67 85 A A E -O 90 0C 21 -21,-2.0 23,-0.3 23,-0.2 -21,-0.2 -0.736 20.5-163.3 -85.5 136.1 50.0 17.7 38.7 68 86 A S E S- 0 0 76 21,-2.7 2,-0.3 -2,-0.4 -1,-0.2 0.877 74.3 -12.9 -84.9 -47.1 48.2 21.0 39.6 69 87 A K E -O 89 0C 85 20,-1.0 20,-2.2 -25,-0.0 2,-0.4 -0.968 56.5-144.8-150.9 160.2 44.8 19.8 38.3 70 88 A S E -O 88 0C 32 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.985 12.1-157.8-127.7 137.8 43.4 17.0 36.2 71 89 A I E -O 87 0C 33 16,-3.2 16,-2.3 -2,-0.4 2,-0.3 -0.945 6.2-162.9-123.4 105.1 40.4 17.7 33.9 72 90 A V E -O 86 0C 49 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.654 40.0 -93.8 -83.6 139.9 38.4 14.5 33.0 73 91 A H > - 0 0 22 12,-2.3 3,-1.7 -2,-0.3 -1,-0.1 -0.321 32.7-131.0 -54.8 134.5 36.1 15.0 30.0 74 92 A P T 3 S+ 0 0 109 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.711 106.3 48.2 -60.3 -23.7 32.6 16.0 31.4 75 93 A S T 3 S+ 0 0 77 8,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.147 78.9 134.5-103.5 14.9 30.8 13.3 29.2 76 94 A Y < - 0 0 57 -3,-1.7 2,-0.5 9,-0.1 7,-0.2 -0.486 40.3-160.0 -66.4 135.8 33.2 10.5 30.2 77 95 A N B >> -P 82 0D 65 5,-1.6 4,-2.5 -2,-0.2 5,-0.5 -0.969 9.7-158.7-119.6 109.3 31.2 7.3 30.9 78 96 A S T 45S+ 0 0 86 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.620 90.6 57.6 -67.1 -10.4 33.1 4.8 33.0 79 97 A N T 45S+ 0 0 146 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.829 122.5 19.6 -89.8 -33.4 30.8 2.0 31.8 80 98 A T T 45S- 0 0 70 -3,-0.5 -2,-0.2 2,-0.1 77,-0.1 0.607 92.5-132.7-108.0 -13.9 31.4 2.4 28.1 81 99 A L T ><5 + 0 0 30 -4,-2.5 3,-0.8 1,-0.3 2,-0.2 0.655 49.0 158.7 68.6 20.5 34.7 4.3 28.2 82 100 A N B 3 < +P 77 0D 36 -5,-0.5 -5,-1.6 1,-0.3 -1,-0.3 -0.545 68.3 17.3 -71.2 139.7 33.2 6.7 25.7 83 101 A N T 3 S+ 0 0 18 -2,-0.2 2,-2.0 -7,-0.2 -1,-0.3 0.923 80.4 176.2 62.0 47.3 35.2 10.1 25.8 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.488 34.1 114.9 -83.2 72.7 38.1 8.3 27.7 85 103 A I + 0 0 0 -2,-2.0 -12,-2.3 -47,-0.3 2,-0.3 -0.996 37.4 179.6-145.1 146.2 40.4 11.4 27.8 86 104 A M E -MO 37 72C 0 -49,-2.3 -49,-2.6 -2,-0.3 2,-0.4 -0.991 16.8-145.1-146.2 144.5 41.8 13.7 30.5 87 105 A L E -MO 36 71C 0 -16,-2.3 -16,-3.2 -2,-0.3 2,-0.5 -0.877 13.3-161.4-111.6 142.0 44.1 16.8 30.5 88 106 A I E -MO 35 70C 0 -53,-2.3 -53,-2.2 -2,-0.4 2,-0.4 -0.996 6.7-150.8-128.2 126.5 46.6 17.3 33.4 89 107 A K E -MO 34 69C 51 -20,-2.2 -21,-2.7 -2,-0.5 -20,-1.0 -0.789 20.3-131.7 -96.3 136.8 48.1 20.7 34.0 90 108 A L E - 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