==== 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 1O36 . 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) . 9133.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 61.0 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 . 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 . 4 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 3 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 128.4 52.9 -3.7 25.2 2 17 A V B +A 171 0A 11 169,-2.8 169,-1.7 1,-0.2 123,-0.1 -0.886 360.0 6.8-106.4 138.6 52.8 -7.3 24.0 3 18 A G S S+ 0 0 46 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.667 103.1 120.9 67.5 22.5 55.0 -8.4 21.0 4 19 A G - 0 0 31 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.102 55.6-121.6 -99.0-162.1 56.6 -4.9 20.9 5 20 A Y E -B 137 0B 90 132,-2.3 132,-2.8 -3,-0.1 2,-0.3 -0.916 33.8 -81.9-140.1 165.4 60.3 -3.9 21.1 6 21 A T E -B 136 0B 71 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.528 36.3-148.1 -70.4 126.2 62.4 -1.6 23.3 7 22 A a - 0 0 17 128,-2.3 -1,-0.1 -2,-0.3 129,-0.1 0.895 36.0-112.1 -63.2 -42.7 62.0 1.9 22.0 8 23 A G > - 0 0 28 127,-0.5 3,-1.7 4,-0.0 4,-0.3 0.022 50.3 -60.6 113.4 138.8 65.5 3.2 22.9 9 24 A A T 3 S- 0 0 52 1,-0.2 44,-0.1 2,-0.1 43,-0.0 -0.276 117.6 -8.1 -56.2 132.7 65.9 5.8 25.6 10 25 A N T 3 S+ 0 0 37 42,-0.4 -1,-0.2 2,-0.1 43,-0.1 0.569 89.0 125.4 55.9 21.4 64.2 9.1 24.9 11 26 A T S < S+ 0 0 83 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.571 78.0 49.5 -80.7 -8.9 63.2 8.2 21.2 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-1.7 87,-0.1 -1,-0.3 -0.681 72.1 171.9-126.4 74.1 59.5 9.0 22.2 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-1.5 0, 0.0 38,-0.2 0.536 72.2 58.2 -70.3 -7.3 60.0 12.4 23.9 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.2 88,-0.1 2,-0.2 0.513 80.4 106.4 -99.3 -6.7 56.3 13.1 24.2 15 30 A Q E < -J 28 0C 6 -3,-1.7 36,-0.5 13,-0.2 37,-0.4 -0.469 48.4-175.3 -72.8 138.3 55.6 9.9 26.2 16 31 A V E -J 27 0C 0 11,-2.1 11,-1.2 -2,-0.2 2,-0.4 -0.888 19.8-138.0-130.3 164.4 54.8 10.6 29.9 17 32 A S E -JK 26 49C 0 32,-1.6 32,-2.6 -2,-0.3 2,-0.5 -0.974 14.9-142.4-119.0 133.2 54.2 8.1 32.9 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.0 -2,-0.4 7,-0.9 -0.852 28.2-167.5 -98.5 133.3 51.4 9.1 35.3 19 34 A N E +JK 23 47C 18 28,-2.8 28,-2.1 -2,-0.5 4,-0.2 -0.980 35.1 167.1-129.6 135.3 52.7 8.1 38.8 20 37 A S S S- 0 0 35 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.355 96.8 -48.9-135.0 47.3 51.0 7.7 42.2 21 38 A G S S+ 0 0 70 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.350 139.1 33.4 100.8 -6.2 53.8 5.8 43.9 22 39 A Y S S- 0 0 132 -4,-0.0 -2,-2.1 0, 0.0 2,-0.4 -0.931 101.6 -86.0-166.2 162.6 54.0 3.4 40.9 23 40 A H E +J 19 0C 32 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.676 49.9 160.0 -79.6 127.9 53.3 3.8 37.2 24 41 A F E + 0 0 31 -6,-2.0 151,-0.3 1,-0.4 2,-0.3 0.649 60.6 1.1-122.9 -26.0 49.6 3.3 36.5 25 42 A b E -J 18 0C 7 -7,-0.9 -7,-3.1 151,-0.1 -1,-0.4 -0.950 61.5-127.6-155.1 167.7 49.0 5.0 33.0 26 43 A G E +J 17 0C 1 151,-2.6 12,-0.4 -2,-0.3 2,-0.3 -0.437 26.2 179.4-108.2-178.5 50.8 6.7 30.2 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.1 -2,-0.2 2,-0.4 -0.963 23.9-110.3-171.5 175.2 50.0 10.1 28.6 28 45 A S E -JL 15 36C 2 8,-2.6 8,-2.4 -2,-0.3 2,-0.5 -0.982 17.6-131.3-128.0 137.4 51.2 12.5 25.9 29 46 A L E + L 0 35C 0 -15,-2.2 74,-2.0 -2,-0.4 6,-0.2 -0.721 28.1 172.2 -82.2 122.3 52.8 15.9 26.3 30 47 A I E - 0 0 19 4,-2.4 2,-0.3 -2,-0.5 5,-0.2 0.563 69.3 -6.1-110.3 -11.2 50.9 18.3 23.9 31 48 A N E > S- L 0 34C 45 3,-1.2 3,-0.6 70,-0.1 -1,-0.3 -0.933 91.6 -80.7-164.3 173.9 52.5 21.5 25.0 32 49 A S T 3 S+ 0 0 46 -2,-0.3 62,-2.7 1,-0.2 60,-0.1 0.675 126.8 30.4 -64.9 -13.1 54.8 22.5 27.8 33 50 A Q T 3 S+ 0 0 60 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.456 110.7 65.8-122.4 -0.1 52.1 22.6 30.4 34 51 A W E < -LM 31 89C 9 -3,-0.6 -4,-2.4 55,-0.2 -3,-1.2 -0.974 48.8-172.5-131.8 145.5 49.5 20.1 29.3 35 52 A V E -LM 29 88C 0 53,-2.2 53,-2.6 -2,-0.4 2,-0.4 -0.902 14.7-144.7-125.6 150.9 49.2 16.3 28.9 36 53 A V E +LM 28 87C 0 -8,-2.4 -8,-2.6 -2,-0.3 2,-0.2 -0.961 32.7 147.8-119.3 136.7 46.4 14.2 27.3 37 54 A S E - M 0 86C 0 49,-2.6 49,-2.4 -2,-0.4 2,-0.3 -0.726 50.8 -68.9-146.8-166.9 45.6 10.8 28.8 38 55 A A > - 0 0 0 -12,-0.4 3,-1.9 47,-0.3 47,-0.3 -0.742 33.4-128.3 -98.4 144.1 42.5 8.7 29.2 39 56 A A G > S+ 0 0 4 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.841 106.5 63.0 -59.9 -32.7 39.7 9.6 31.5 40 57 A H G 3 S+ 0 0 67 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.524 93.3 64.3 -73.9 3.6 39.6 6.2 33.1 41 58 A b G < S+ 0 0 5 -3,-1.9 -1,-0.3 2,-0.0 -2,-0.2 0.310 79.0 127.6-101.4 5.7 43.2 6.8 34.4 42 59 A Y < + 0 0 121 -3,-1.8 2,-0.3 -4,-0.1 -3,-0.0 -0.327 20.4 130.1 -67.9 146.3 41.9 9.7 36.5 43 60 A K - 0 0 54 -2,-0.0 3,-0.2 3,-0.0 2,-0.2 -0.931 53.4 -99.3-174.5 172.2 42.7 9.9 40.3 44 61 A S S S+ 0 0 96 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.601 96.3 48.2-102.6 168.5 44.1 12.6 42.5 45 62 A G S S+ 0 0 67 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.947 73.5 165.1 70.6 46.4 47.7 12.8 43.6 46 63 A I - 0 0 10 -3,-0.2 21,-1.7 21,-0.1 2,-0.5 -0.787 22.2-166.0 -99.2 136.8 49.1 12.3 40.1 47 64 A Q E -KN 19 66C 54 -28,-2.1 -28,-2.8 -2,-0.4 2,-0.5 -0.986 16.5-141.7-118.7 131.6 52.8 13.1 39.5 48 65 A V E -KN 18 65C 0 17,-3.0 17,-2.5 -2,-0.5 2,-0.6 -0.828 11.2-156.6 -96.8 128.7 53.7 13.4 35.8 49 65AA R E -KN 17 64C 47 -32,-2.6 -32,-1.6 -2,-0.5 3,-0.3 -0.929 13.2-177.0-113.8 113.9 57.0 11.9 34.9 50 66 A L E + N 0 63C 2 13,-2.7 13,-1.9 -2,-0.6 -34,-0.1 -0.707 61.2 30.1-105.7 156.4 58.6 13.3 31.6 51 69 A G S S+ 0 0 6 -36,-0.5 2,-0.2 48,-0.3 -1,-0.2 0.710 84.4 151.2 66.1 28.3 61.9 12.2 30.0 52 70 A E + 0 0 11 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.548 22.6 151.3 -91.3 154.8 61.7 8.7 31.3 53 71 A D S S+ 0 0 15 1,-0.5 2,-0.7 4,-0.2 -1,-0.2 0.225 81.7 33.1-138.0 -81.6 63.1 5.5 29.8 54 72 A N S > S- 0 0 24 80,-0.2 3,-1.0 1,-0.1 -1,-0.5 -0.739 74.7-161.2 -79.5 114.7 63.7 3.1 32.8 55 73 A I T 3 S+ 0 0 27 78,-2.8 -1,-0.1 -2,-0.7 79,-0.1 0.506 84.7 54.2 -78.8 -2.4 60.9 4.1 35.3 56 74 A N T 3 S+ 0 0 116 77,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.311 105.5 54.5-110.1 6.8 62.7 2.6 38.3 57 75 A V S < S- 0 0 73 -3,-1.0 2,-0.9 76,-0.2 -4,-0.2 -0.997 76.0-131.9-137.6 136.1 66.0 4.4 37.9 58 76 A V + 0 0 113 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.808 37.8 163.4 -89.2 112.3 66.8 8.1 37.7 59 77 A E - 0 0 106 -2,-0.9 -1,-0.2 1,-0.3 2,-0.1 0.586 56.4 -90.1-103.5 -18.6 69.2 8.0 34.7 60 78 A G S S+ 0 0 32 -3,-0.2 -1,-0.3 -9,-0.1 3,-0.1 -0.280 102.3 71.0 118.3 155.8 68.9 11.8 34.0 61 79 A N + 0 0 72 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.185 68.8 133.3 88.3 -8.2 66.5 13.7 31.7 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 -11,-0.0 -1,-0.3 -0.407 34.6-174.3 -74.7 146.9 63.6 13.2 34.1 63 81 A Q E -N 50 0C 36 -13,-1.9 -13,-2.7 -2,-0.1 2,-0.5 -0.979 7.0-163.7-137.4 124.7 61.3 16.0 35.1 64 82 A F E +N 49 0C 79 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.983 17.6 170.9-114.1 119.1 58.7 15.1 37.8 65 83 A I E -N 48 0C 15 -17,-2.5 -17,-3.0 -2,-0.5 2,-0.1 -0.988 29.4-124.6-131.6 139.8 56.0 17.7 37.9 66 84 A S E -N 47 0C 50 -2,-0.4 25,-3.0 -19,-0.2 26,-0.3 -0.488 30.1-109.1 -82.0 154.9 52.7 17.5 39.9 67 85 A A E -O 90 0C 22 -21,-1.7 23,-0.3 23,-0.2 -21,-0.1 -0.671 20.1-161.7 -81.8 139.2 49.4 17.9 38.1 68 86 A S E S- 0 0 78 21,-2.6 2,-0.3 1,-0.4 22,-0.2 0.869 75.5 -10.9 -87.2 -45.0 47.7 21.2 38.9 69 87 A K E -O 89 0C 85 20,-0.9 20,-3.0 2,-0.0 2,-0.4 -0.975 56.5-146.7-150.7 156.0 44.2 20.0 37.6 70 88 A S E -O 88 0C 34 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.977 12.7-160.6-123.2 135.2 42.8 17.0 35.7 71 89 A I E -O 87 0C 32 16,-3.1 16,-2.2 -2,-0.4 2,-0.3 -0.937 5.5-162.9-122.4 104.6 39.8 17.7 33.4 72 90 A V E -O 86 0C 45 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.637 40.4 -91.7 -84.6 147.4 37.9 14.5 32.5 73 91 A H > - 0 0 23 12,-1.9 3,-2.0 10,-0.3 -1,-0.1 -0.404 33.0-131.4 -59.2 130.5 35.6 14.9 29.5 74 92 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.806 106.8 48.7 -56.3 -31.8 32.2 15.9 30.9 75 93 A S T 3 S+ 0 0 77 2,-0.1 2,-0.2 8,-0.0 -2,-0.1 0.148 78.4 136.4 -96.1 19.8 30.5 13.3 28.7 76 94 A Y < - 0 0 57 -3,-2.0 2,-0.6 9,-0.1 7,-0.2 -0.519 40.1-157.9 -68.4 134.5 32.9 10.5 29.7 77 95 A N B >> -P 82 0D 62 5,-2.0 4,-2.9 -2,-0.2 5,-0.6 -0.958 7.4-160.3-116.9 110.4 30.8 7.3 30.4 78 96 A S T 45S+ 0 0 78 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.736 88.5 54.9 -65.8 -19.9 32.7 4.8 32.6 79 97 A N T 45S+ 0 0 147 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.892 123.9 21.1 -82.8 -39.0 30.6 2.0 31.4 80 98 A T T 45S- 0 0 67 -3,-0.1 -2,-0.2 2,-0.1 -1,-0.1 0.671 94.5-133.5-100.3 -17.7 31.1 2.3 27.7 81 99 A L T ><5 + 0 0 29 -4,-2.9 3,-0.9 1,-0.3 2,-0.3 0.673 47.8 159.3 69.2 27.5 34.3 4.3 27.9 82 100 A N B 3 < +P 77 0D 37 -5,-0.6 -5,-2.0 1,-0.3 -1,-0.3 -0.637 66.4 19.3 -79.3 139.7 32.9 6.6 25.3 83 101 A N T 3 S+ 0 0 21 -2,-0.3 2,-2.6 -7,-0.2 -10,-0.3 0.864 79.7 175.2 66.5 44.0 34.8 9.9 25.5 84 102 A D < + 0 0 0 -3,-0.9 2,-0.4 75,-0.2 -1,-0.2 -0.381 32.6 115.6 -77.9 72.0 37.7 8.4 27.3 85 103 A I + 0 0 0 -2,-2.6 -12,-1.9 -47,-0.3 2,-0.3 -0.995 36.7 179.9-142.5 150.0 39.9 11.4 27.3 86 104 A M E -MO 37 72C 0 -49,-2.4 -49,-2.6 -2,-0.4 2,-0.4 -0.994 16.5-146.3-148.3 144.8 41.4 13.7 30.0 87 105 A L E -MO 36 71C 0 -16,-2.2 -16,-3.1 -2,-0.3 2,-0.4 -0.903 12.6-161.9-111.5 141.0 43.6 16.7 30.0 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.2 -2,-0.4 2,-0.4 -0.989 6.5-151.0-123.8 134.3 46.1 17.3 32.9 89 107 A K E -MO 34 69C 48 -20,-3.0 -21,-2.6 -2,-0.4 -20,-0.9 -0.829 19.7-130.0-102.3 144.1 47.6 20.7 33.5 90 108 A L E - 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