==== 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 1O2H . 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.SHRADER, . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9164.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 131 58.7 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 . 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 . 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, 0.0 171,-0.2 0.000 360.0 360.0 360.0 139.2 53.0 -3.7 25.0 2 17 A V B +A 171 0A 10 169,-2.3 169,-1.7 1,-0.2 123,-0.1 -0.943 360.0 12.2-117.3 138.9 53.0 -7.3 23.9 3 18 A G S S+ 0 0 47 121,-0.4 -1,-0.2 -2,-0.4 167,-0.1 0.646 103.5 121.9 69.1 17.7 55.0 -8.3 20.8 4 19 A G - 0 0 29 -3,-0.2 2,-0.3 167,-0.1 134,-0.2 -0.213 53.4-131.3 -97.7-172.5 56.7 -4.8 20.9 5 20 A Y E -B 137 0B 95 132,-2.5 132,-3.2 -3,-0.1 2,-0.5 -0.872 36.1 -75.6-136.9 170.5 60.4 -3.9 21.2 6 21 A T E -B 136 0B 71 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.565 36.3-152.6 -73.3 118.1 62.6 -1.6 23.2 7 22 A a - 0 0 16 128,-1.8 -1,-0.2 -2,-0.5 129,-0.1 0.880 38.6-113.4 -57.3 -44.2 62.0 1.9 22.0 8 23 A G > - 0 0 26 127,-0.5 3,-1.9 -3,-0.1 4,-0.3 0.025 46.4 -58.4 114.2 140.0 65.5 3.1 23.0 9 24 A A T 3 S- 0 0 56 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.204 119.0 -10.4 -52.2 133.4 66.1 5.7 25.8 10 25 A N T 3 S+ 0 0 34 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.577 91.3 125.9 52.7 17.7 64.3 9.0 25.0 11 26 A T S < S+ 0 0 81 -3,-1.9 -1,-0.1 1,-0.3 -2,-0.1 0.718 77.1 48.9 -75.6 -15.4 63.4 8.1 21.4 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-1.9 1,-0.1 -1,-0.3 -0.673 73.3 175.3-118.0 73.1 59.7 8.9 22.2 13 28 A P T 3 S+ 0 0 32 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.632 73.1 56.0 -62.7 -14.1 60.2 12.4 23.9 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.2 88,-0.1 2,-0.3 0.430 81.1 106.9 -96.4 -1.8 56.4 13.1 24.3 15 30 A Q E < -J 28 0C 7 -3,-1.9 36,-0.4 13,-0.2 37,-0.4 -0.618 48.1-177.5 -78.2 131.8 55.7 9.9 26.3 16 31 A V E -J 27 0C 0 11,-1.9 11,-0.7 -2,-0.3 2,-0.4 -0.884 21.3-134.1-125.9 161.2 55.1 10.5 30.1 17 32 A S E -JK 26 49C 1 32,-2.2 32,-2.2 -2,-0.3 2,-0.6 -0.925 14.4-141.7-112.1 139.2 54.5 8.0 33.0 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.1 -2,-0.4 7,-1.0 -0.906 29.7-174.9-101.5 127.5 51.7 8.8 35.4 19 34 A N E +JK 23 47C 19 28,-2.5 28,-2.3 -2,-0.6 4,-0.2 -0.952 33.5 165.8-127.6 142.6 52.9 7.8 38.9 20 37 A S S S- 0 0 37 2,-1.9 3,-0.1 -2,-0.4 26,-0.1 -0.145 97.4 -42.5-141.4 38.2 51.3 7.7 42.4 21 38 A G S S+ 0 0 70 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.183 140.9 27.3 114.7 -8.8 53.9 5.6 44.1 22 39 A Y S S- 0 0 133 -4,-0.0 -2,-1.9 0, 0.0 2,-0.3 -0.934 99.7 -87.0-167.8 159.9 54.1 3.2 41.1 23 40 A H E +J 19 0C 32 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.607 49.4 159.4 -76.0 131.5 53.5 3.7 37.3 24 41 A F E + 0 0 31 -6,-2.1 151,-0.3 1,-0.4 2,-0.3 0.601 59.3 3.9-127.8 -26.1 49.8 3.1 36.5 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-3.0 151,-0.1 -1,-0.4 -0.946 61.3-124.9-151.9 173.2 49.2 4.8 33.1 26 43 A G E -J 17 0C 1 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.418 23.8-179.8-109.0-174.7 50.9 6.7 30.2 27 44 A G E -J 16 0C 0 -11,-0.7 -11,-1.9 -2,-0.2 2,-0.4 -0.960 24.3-113.8-175.4 169.0 50.1 10.1 28.7 28 45 A S E -JL 15 36C 0 8,-2.3 8,-2.4 -2,-0.3 2,-0.5 -0.980 19.7-130.3-123.9 137.3 51.4 12.4 25.9 29 46 A L E + L 0 35C 0 -15,-2.2 74,-1.9 -2,-0.4 6,-0.2 -0.708 29.3 170.8 -80.6 123.8 53.0 15.9 26.4 30 47 A I E - 0 0 18 4,-2.1 2,-0.3 -2,-0.5 5,-0.2 0.569 68.2 -6.1-111.3 -12.3 51.2 18.3 24.1 31 48 A N E > S- L 0 34C 43 3,-1.2 3,-1.2 70,-0.1 -1,-0.4 -0.949 89.4 -80.4-167.0 165.0 52.8 21.6 25.4 32 49 A S T 3 S+ 0 0 50 -2,-0.3 62,-2.7 1,-0.2 60,-0.1 0.706 127.4 26.0 -49.1 -25.9 55.2 22.6 28.3 33 50 A Q T 3 S+ 0 0 63 60,-0.2 57,-2.6 1,-0.1 2,-0.4 0.397 111.9 69.1-121.6 3.9 52.3 22.6 30.9 34 51 A W E < -LM 31 89C 10 -3,-1.2 -4,-2.1 55,-0.2 -3,-1.2 -0.964 48.0-177.5-129.4 143.9 49.7 20.2 29.5 35 52 A V E -LM 29 88C 0 53,-2.2 53,-2.0 -2,-0.4 2,-0.4 -0.933 17.0-142.7-127.9 152.2 49.5 16.3 29.1 36 53 A V E +LM 28 87C 0 -8,-2.4 -8,-2.3 -2,-0.3 2,-0.2 -0.960 33.0 147.3-119.3 135.7 46.6 14.3 27.5 37 54 A S E - M 0 86C 0 49,-2.7 49,-2.3 -2,-0.4 2,-0.4 -0.718 49.6 -66.4-144.0-163.5 45.7 10.9 28.9 38 55 A A > - 0 0 0 -12,-0.4 3,-2.4 47,-0.3 47,-0.3 -0.770 31.9-131.9 -99.7 139.4 42.7 8.7 29.4 39 56 A A G > S+ 0 0 3 -2,-0.4 3,-1.5 1,-0.3 -1,-0.1 0.839 107.4 63.3 -57.5 -34.8 39.8 9.6 31.7 40 57 A H G 3 S+ 0 0 68 1,-0.2 -1,-0.3 41,-0.1 44,-0.0 0.578 93.3 64.1 -70.7 -3.7 39.9 6.2 33.2 41 58 A b G < S+ 0 0 4 -3,-2.4 -1,-0.2 2,-0.0 -2,-0.2 0.469 78.1 127.2 -95.8 -1.0 43.5 6.9 34.4 42 59 A Y < + 0 0 122 -3,-1.5 2,-0.3 -4,-0.3 -3,-0.0 -0.275 20.2 130.0 -60.1 142.3 42.2 9.6 36.7 43 60 A K - 0 0 55 3,-0.0 2,-0.2 0, 0.0 3,-0.2 -0.898 54.7 -99.0-173.5 174.4 43.1 9.6 40.5 44 61 A S S S+ 0 0 96 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.670 95.6 49.0-105.4 164.0 44.5 12.2 42.8 45 62 A G S S+ 0 0 63 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.983 70.9 161.7 74.8 53.0 48.1 12.4 43.8 46 63 A I - 0 0 10 -3,-0.2 21,-2.1 21,-0.2 2,-0.4 -0.917 22.6-170.3-110.6 133.8 49.6 12.1 40.3 47 64 A Q E -KN 19 66C 50 -28,-2.3 -28,-2.5 -2,-0.5 2,-0.4 -0.924 21.4-137.7-114.1 142.3 53.2 13.2 39.7 48 65 A V E -KN 18 65C 0 17,-3.0 17,-2.4 -2,-0.4 2,-0.5 -0.845 13.7-154.4-100.8 137.8 53.9 13.3 35.9 49 65AA R E -KN 17 64C 46 -32,-2.2 -32,-2.2 -2,-0.4 2,-0.3 -0.963 14.6-179.2-120.2 122.8 57.3 11.8 34.9 50 66 A L E + N 0 63C 2 13,-2.3 13,-1.9 -2,-0.5 -34,-0.1 -0.739 63.0 32.7-112.6 162.2 59.0 13.1 31.7 51 69 A G S S+ 0 0 6 -36,-0.4 2,-0.2 -38,-0.3 -1,-0.2 0.717 86.0 150.8 63.3 22.5 62.4 12.0 30.1 52 70 A E + 0 0 11 -37,-0.4 -42,-0.3 -3,-0.2 -1,-0.2 -0.579 19.1 148.1 -89.4 148.3 61.8 8.5 31.5 53 71 A D S S+ 0 0 18 1,-0.4 2,-0.7 -2,-0.2 82,-0.2 0.338 78.4 33.9-136.6 -72.9 63.1 5.3 30.0 54 72 A N S > S- 0 0 21 80,-0.2 3,-0.7 1,-0.1 -1,-0.4 -0.815 73.9-160.9 -88.2 114.2 63.8 2.9 32.8 55 73 A I T 3 S+ 0 0 30 78,-2.6 -1,-0.1 -2,-0.7 79,-0.1 0.579 83.4 52.9 -75.4 -7.9 61.0 3.7 35.4 56 74 A N T 3 S+ 0 0 116 77,-0.2 2,-0.3 1,-0.0 -1,-0.2 0.558 106.5 52.0-102.3 -8.8 62.8 2.2 38.4 57 75 A V S < S- 0 0 71 -3,-0.7 2,-0.5 76,-0.1 -4,-0.2 -0.942 74.9-130.7-123.7 146.9 66.2 4.0 38.2 58 76 A V + 0 0 113 -2,-0.3 3,-0.1 1,-0.1 -3,-0.1 -0.866 38.0 160.5 -94.4 131.8 67.1 7.7 37.9 59 77 A E - 0 0 114 -2,-0.5 -1,-0.1 1,-0.4 2,-0.1 0.335 56.9 -84.8-130.9 -2.9 69.6 7.8 34.9 60 78 A G S S+ 0 0 33 -9,-0.0 -1,-0.4 0, 0.0 3,-0.1 -0.315 102.5 66.5 111.8 161.3 69.3 11.5 34.0 61 79 A N + 0 0 71 1,-0.2 2,-0.1 -2,-0.1 -9,-0.1 0.186 69.7 131.8 77.0 -13.0 66.9 13.5 31.8 62 80 A E - 0 0 34 -11,-0.1 2,-0.4 -13,-0.0 -11,-0.2 -0.406 36.6-170.4 -73.2 143.5 64.0 12.9 34.1 63 81 A Q E -N 50 0C 35 -13,-1.9 -13,-2.3 -2,-0.1 2,-0.6 -0.978 6.0-162.0-131.4 117.5 61.7 15.7 35.2 64 82 A F E +N 49 0C 85 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.887 17.3 172.7-102.4 116.8 59.1 14.9 37.9 65 83 A I E -N 48 0C 13 -17,-2.4 -17,-3.0 -2,-0.6 -2,-0.0 -0.977 28.2-128.2-129.8 126.5 56.3 17.4 38.1 66 84 A S E -N 47 0C 53 -2,-0.4 25,-2.7 -19,-0.3 2,-0.3 -0.318 30.6-110.7 -68.6 155.3 53.2 17.2 40.2 67 85 A A E -O 90 0C 23 -21,-2.1 23,-0.3 23,-0.2 -21,-0.2 -0.684 20.5-162.8 -85.7 138.0 49.8 17.7 38.4 68 86 A S E S- 0 0 77 21,-2.9 2,-0.3 1,-0.3 22,-0.2 0.907 73.8 -10.2 -88.9 -51.3 48.0 20.9 39.3 69 87 A K E -O 89 0C 87 20,-0.9 20,-2.6 -25,-0.0 2,-0.4 -0.999 55.1-147.8-147.4 152.2 44.6 19.7 37.9 70 88 A S E -O 88 0C 33 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.970 13.3-157.2-118.0 134.0 43.2 16.8 35.9 71 89 A I E -O 87 0C 32 16,-3.2 16,-1.5 -2,-0.4 2,-0.3 -0.879 5.7-160.8-116.5 96.6 40.2 17.6 33.7 72 90 A V E -O 86 0C 50 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.575 38.9 -95.0 -74.8 137.7 38.2 14.5 32.9 73 91 A H > - 0 0 23 12,-1.9 3,-1.9 10,-0.3 -1,-0.1 -0.272 32.2-127.5 -51.6 133.8 35.9 15.0 29.8 74 92 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.801 108.1 46.6 -57.1 -30.1 32.4 16.1 31.0 75 93 A S T 3 S+ 0 0 75 2,-0.1 2,-0.1 8,-0.0 -2,-0.1 0.135 77.1 136.4-101.6 22.7 30.8 13.3 29.0 76 94 A Y < - 0 0 59 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.471 37.8-161.1 -66.5 138.9 33.2 10.4 29.9 77 95 A N B >> -P 82 0D 65 5,-1.9 4,-2.3 -2,-0.1 5,-0.6 -0.983 7.1-160.2-122.3 113.9 31.0 7.3 30.6 78 96 A S T 45S+ 0 0 79 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.662 89.2 58.0 -72.2 -13.3 33.0 4.7 32.7 79 97 A N T 45S+ 0 0 147 1,-0.1 -1,-0.2 3,-0.1 -3,-0.0 0.800 123.6 19.2 -86.7 -29.8 30.7 2.0 31.7 80 98 A T T 45S- 0 0 68 -3,-0.4 -2,-0.2 2,-0.1 3,-0.1 0.625 94.8-133.0-109.6 -18.5 31.2 2.4 27.9 81 99 A L T ><5 + 0 0 29 -4,-2.3 3,-0.7 1,-0.3 2,-0.2 0.699 48.4 159.5 70.1 27.8 34.5 4.3 28.1 82 100 A N B 3 < +P 77 0D 36 -5,-0.6 -5,-1.9 1,-0.3 -1,-0.3 -0.586 65.8 19.4 -77.4 143.5 33.1 6.7 25.6 83 101 A N T 3 S+ 0 0 19 -2,-0.2 2,-2.1 -7,-0.2 -10,-0.3 0.924 79.4 174.2 61.2 50.5 35.0 10.1 25.7 84 102 A D < + 0 0 0 -3,-0.7 2,-0.3 75,-0.2 -1,-0.2 -0.417 34.1 111.4 -85.2 70.6 37.9 8.4 27.5 85 103 A I + 0 0 0 -2,-2.1 -12,-1.9 -47,-0.3 2,-0.3 -0.994 38.1 178.5-141.7 148.0 40.2 11.5 27.4 86 104 A M E -MO 37 72C 0 -49,-2.3 -49,-2.7 -2,-0.3 2,-0.4 -0.985 18.3-143.3-147.2 148.7 41.6 13.7 30.3 87 105 A L E -MO 36 71C 0 -16,-1.5 -16,-3.2 -2,-0.3 2,-0.4 -0.945 12.3-161.0-115.5 139.0 43.9 16.8 30.3 88 106 A I E -MO 35 70C 0 -53,-2.0 -53,-2.2 -2,-0.4 2,-0.4 -0.977 7.0-151.0-120.1 133.0 46.4 17.2 33.2 89 107 A K E -MO 34 69C 46 -20,-2.6 -21,-2.9 -2,-0.4 -20,-0.9 -0.837 21.3-128.9 -99.6 141.7 47.9 20.7 33.8 90 108 A L E - 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