==== 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 1O3J . 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) . 9148.0 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 . 70 31.4 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 . 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 . 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 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 0.000 360.0 360.0 360.0 126.6 52.9 -3.6 25.1 2 17 A V B +A 171 0A 10 169,-2.7 169,-2.0 1,-0.2 123,-0.1 -0.881 360.0 8.3-105.3 133.9 52.9 -7.3 24.0 3 18 A G S S+ 0 0 47 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.671 101.7 122.4 72.9 19.4 55.0 -8.3 20.9 4 19 A G - 0 0 31 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.145 54.9-120.7 -98.3-166.4 56.7 -4.9 20.8 5 20 A Y E -B 137 0B 93 132,-2.6 132,-2.9 -3,-0.1 2,-0.4 -0.907 34.7 -84.1-135.1 164.9 60.4 -3.9 21.0 6 21 A T E -B 136 0B 74 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.544 35.9-149.8 -69.7 122.3 62.6 -1.7 23.2 7 22 A a - 0 0 18 128,-2.0 -1,-0.2 -2,-0.4 129,-0.1 0.887 35.9-113.5 -63.1 -40.9 62.2 1.8 21.9 8 23 A G > - 0 0 28 127,-0.5 3,-1.7 4,-0.0 4,-0.3 0.084 49.0 -58.8 111.7 134.5 65.6 3.0 23.0 9 24 A A T 3 S- 0 0 57 1,-0.2 44,-0.1 2,-0.1 43,-0.1 -0.191 118.7 -8.0 -51.7 131.4 66.1 5.7 25.7 10 25 A N T 3 S+ 0 0 36 42,-0.4 -1,-0.2 2,-0.2 43,-0.1 0.666 90.7 124.0 53.3 29.7 64.3 9.0 24.9 11 26 A T S < S+ 0 0 81 -3,-1.7 -2,-0.1 1,-0.3 -1,-0.1 0.584 78.4 49.0 -87.0 -12.8 63.4 8.0 21.3 12 27 A V S > S+ 0 0 9 -4,-0.3 3,-1.7 1,-0.1 -1,-0.3 -0.708 74.4 173.2-123.3 73.9 59.7 8.8 22.2 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-1.1 0, 0.0 38,-0.3 0.643 72.2 55.5 -64.9 -18.1 60.3 12.3 23.9 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.3 88,-0.1 2,-0.2 0.470 81.5 110.0 -92.8 -5.9 56.5 13.1 24.4 15 30 A Q E < -J 28 0C 7 -3,-1.7 36,-0.5 13,-0.2 37,-0.4 -0.528 47.8-173.3 -72.1 132.1 55.8 9.9 26.4 16 31 A V E -J 27 0C 0 11,-2.4 11,-1.1 -2,-0.2 2,-0.4 -0.884 18.7-139.8-123.6 158.5 55.1 10.5 30.1 17 32 A S E -JK 26 49C 1 32,-2.1 32,-2.7 -2,-0.3 2,-0.6 -0.956 15.3-141.9-113.8 133.6 54.6 7.9 33.0 18 33 A L E -JK 25 48C 0 7,-2.9 6,-2.3 -2,-0.4 7,-1.0 -0.880 27.0-169.2 -98.7 123.9 51.8 8.8 35.5 19 34 A N E +JK 23 47C 18 28,-2.9 28,-2.1 -2,-0.6 4,-0.2 -0.960 32.4 167.7-122.5 133.3 53.2 7.8 38.9 20 37 A S S S- 0 0 37 2,-2.0 3,-0.1 -2,-0.4 26,-0.1 -0.338 96.8 -49.0-131.9 44.7 51.4 7.5 42.3 21 38 A G S S+ 0 0 72 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.421 140.5 34.0 100.1 -1.9 54.2 5.7 44.1 22 39 A Y S S- 0 0 133 -4,-0.0 -2,-2.0 0, 0.0 2,-0.3 -0.922 102.4 -86.9-170.6 157.5 54.3 3.2 41.1 23 40 A H E +J 19 0C 29 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.618 51.2 159.5 -73.9 127.8 53.7 3.6 37.3 24 41 A F E + 0 0 30 -6,-2.3 151,-0.3 1,-0.4 2,-0.3 0.585 58.8 3.0-126.0 -21.8 50.0 3.2 36.6 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-2.9 151,-0.1 -1,-0.4 -0.976 61.3-124.7-157.4 168.4 49.3 4.8 33.2 26 43 A G E +J 17 0C 1 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.455 25.6 178.3-107.2-179.8 51.0 6.6 30.3 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.4 -2,-0.2 2,-0.4 -0.958 24.7-115.2-171.5 172.2 50.2 10.0 28.8 28 45 A S E -JL 15 36C 1 8,-2.4 8,-2.4 -2,-0.3 2,-0.6 -0.984 19.3-130.6-126.9 134.5 51.5 12.4 26.0 29 46 A L E + L 0 35C 0 -15,-2.3 74,-1.7 -2,-0.4 6,-0.2 -0.725 28.6 172.4 -81.0 120.0 53.1 15.8 26.5 30 47 A I E - 0 0 19 4,-2.1 2,-0.3 -2,-0.6 5,-0.2 0.611 69.3 -5.6-105.9 -16.1 51.2 18.3 24.1 31 48 A N E > S- L 0 34C 45 3,-1.3 3,-0.7 70,-0.1 -1,-0.3 -0.947 91.1 -81.2-159.5 175.8 52.8 21.6 25.4 32 49 A S T 3 S+ 0 0 46 -2,-0.3 62,-2.9 1,-0.2 60,-0.1 0.693 127.2 30.1 -65.0 -13.1 55.2 22.4 28.3 33 50 A Q T 3 S+ 0 0 62 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.452 111.2 67.0-123.4 -0.0 52.4 22.5 30.9 34 51 A W E < -LM 31 89C 10 -3,-0.7 -4,-2.1 55,-0.2 -3,-1.3 -0.964 47.6-174.7-130.8 145.3 49.8 20.0 29.6 35 52 A V E -LM 29 88C 0 53,-2.1 53,-2.3 -2,-0.4 2,-0.4 -0.956 16.3-144.7-128.2 147.0 49.6 16.2 29.1 36 53 A V E +LM 28 87C 0 -8,-2.4 -8,-2.4 -2,-0.3 2,-0.2 -0.917 33.5 149.5-112.9 139.0 46.7 14.3 27.6 37 54 A S E - M 0 86C 0 49,-2.6 49,-2.2 -2,-0.4 2,-0.3 -0.744 50.1 -68.8-147.8-166.4 45.9 10.8 29.0 38 55 A A > - 0 0 0 -12,-0.4 3,-1.9 47,-0.3 47,-0.3 -0.767 31.6-130.8 -98.6 144.1 42.8 8.6 29.4 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.831 107.6 64.5 -61.1 -32.9 39.9 9.6 31.8 40 57 A H G 3 S+ 0 0 69 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.577 93.9 62.5 -69.9 -3.5 40.0 6.0 33.3 41 58 A b G < S+ 0 0 4 -3,-1.9 -1,-0.3 -15,-0.0 -2,-0.2 0.390 79.1 128.4 -96.6 0.8 43.6 6.8 34.6 42 59 A Y < + 0 0 122 -3,-1.8 2,-0.3 -4,-0.1 -3,-0.0 -0.244 21.1 129.9 -60.8 145.1 42.2 9.6 36.8 43 60 A K - 0 0 53 3,-0.0 3,-0.2 0, 0.0 2,-0.2 -0.914 54.3 -99.3-178.9 165.4 43.1 9.7 40.5 44 61 A S S S+ 0 0 98 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.537 96.3 47.2 -95.3 167.0 44.4 12.2 42.9 45 62 A G S S+ 0 0 65 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.954 72.5 165.4 72.8 47.9 48.1 12.4 43.9 46 63 A I - 0 0 10 -3,-0.2 21,-2.0 21,-0.1 2,-0.5 -0.816 21.4-168.4-101.7 137.2 49.6 12.1 40.4 47 64 A Q E -KN 19 66C 51 -28,-2.1 -28,-2.9 -2,-0.4 2,-0.5 -0.985 17.8-141.7-118.4 130.7 53.2 12.9 39.7 48 65 A V E -KN 18 65C 0 17,-3.1 17,-2.4 -2,-0.5 2,-0.6 -0.830 11.7-157.5 -96.0 129.9 54.0 13.2 35.9 49 65AA R E -KN 17 64C 48 -32,-2.7 -32,-2.1 -2,-0.5 3,-0.3 -0.945 12.5-176.3-116.7 115.1 57.5 11.8 35.0 50 66 A L E + N 0 63C 2 13,-2.6 13,-2.0 -2,-0.6 -34,-0.1 -0.662 62.6 30.6-104.3 157.9 59.0 13.1 31.8 51 69 A G S S+ 0 0 6 -36,-0.5 -1,-0.2 -38,-0.3 2,-0.2 0.701 85.8 152.5 64.9 24.4 62.3 12.0 30.0 52 70 A E + 0 0 11 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.463 21.2 149.3 -85.4 153.9 61.9 8.5 31.4 53 71 A D S S+ 0 0 16 1,-0.3 2,-0.9 4,-0.2 82,-0.5 0.254 79.0 35.4-143.4 -68.4 63.2 5.3 30.0 54 72 A N S > S- 0 0 22 3,-0.2 3,-1.2 80,-0.2 -1,-0.3 -0.838 72.9-162.5 -93.3 108.0 63.9 2.9 32.9 55 73 A I T 3 S+ 0 0 24 78,-2.3 -1,-0.1 -2,-0.9 79,-0.1 0.582 84.7 52.2 -69.6 -8.8 61.1 3.7 35.4 56 74 A N T 3 S+ 0 0 120 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.499 106.9 53.9-105.7 -0.0 62.8 2.1 38.3 57 75 A V S < S- 0 0 69 -3,-1.2 2,-0.5 76,-0.2 -4,-0.2 -0.999 73.7-134.5-130.6 131.9 66.2 3.9 38.0 58 76 A V + 0 0 112 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.762 37.6 160.7 -84.4 127.2 67.1 7.7 37.8 59 77 A E - 0 0 115 -2,-0.5 -1,-0.2 1,-0.3 2,-0.1 0.433 57.6 -83.1-123.6 -9.9 69.6 7.7 34.9 60 78 A G S S+ 0 0 33 -9,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.185 104.4 65.4 113.8 153.7 69.4 11.4 34.0 61 79 A N S S+ 0 0 76 1,-0.3 2,-0.2 -2,-0.1 -9,-0.1 0.161 70.4 129.7 85.0 -8.6 67.0 13.4 31.7 62 80 A E - 0 0 30 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.470 36.6-172.4 -77.5 145.5 64.0 12.7 34.1 63 81 A Q E -N 50 0C 40 -13,-2.0 -13,-2.6 -2,-0.2 2,-0.5 -0.995 6.2-162.7-134.3 125.3 61.8 15.6 35.2 64 82 A F E +N 49 0C 80 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.971 17.6 169.7-111.6 120.5 59.2 14.8 38.0 65 83 A I E -N 48 0C 16 -17,-2.4 -17,-3.1 -2,-0.5 2,-0.1 -0.992 30.6-123.5-131.9 139.6 56.4 17.5 38.2 66 84 A S E -N 47 0C 52 -2,-0.4 25,-3.0 -19,-0.2 26,-0.3 -0.495 30.3-107.8 -82.5 155.9 53.2 17.2 40.2 67 85 A A E -O 90 0C 22 -21,-2.0 23,-0.3 23,-0.2 -21,-0.1 -0.650 21.4-162.6 -79.7 138.1 49.9 17.6 38.4 68 86 A S E S- 0 0 77 21,-3.2 2,-0.3 1,-0.4 22,-0.2 0.894 75.5 -11.6 -87.9 -54.7 48.1 21.0 39.3 69 87 A K E -O 89 0C 90 20,-0.8 20,-2.5 2,-0.0 2,-0.4 -0.954 56.4-148.5-141.1 161.6 44.6 19.7 38.0 70 88 A S E -O 88 0C 32 -2,-0.3 2,-0.6 18,-0.2 18,-0.3 -0.995 13.7-159.2-129.7 129.8 43.3 16.8 36.0 71 89 A I E -O 87 0C 33 16,-3.0 16,-2.3 -2,-0.4 2,-0.3 -0.954 5.5-159.8-114.9 107.2 40.2 17.6 33.8 72 90 A V E -O 86 0C 44 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.677 39.7 -91.5 -85.3 142.7 38.3 14.4 32.8 73 91 A H > - 0 0 21 12,-2.1 3,-1.8 -2,-0.3 -1,-0.1 -0.313 34.1-129.4 -52.8 131.0 36.0 15.0 29.8 74 92 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.783 107.5 47.5 -56.6 -30.7 32.5 16.0 31.2 75 93 A S T 3 S+ 0 0 77 2,-0.1 2,-0.2 8,-0.0 -2,-0.1 0.146 78.0 137.0 -99.7 19.9 30.8 13.3 29.1 76 94 A Y < - 0 0 57 -3,-1.8 2,-0.5 9,-0.1 7,-0.2 -0.487 38.7-159.9 -64.4 132.7 33.2 10.5 30.0 77 95 A N B >> -P 82 0D 62 5,-2.0 4,-2.3 -2,-0.2 5,-0.5 -0.973 8.2-160.9-117.0 114.3 31.2 7.3 30.6 78 96 A S T 45S+ 0 0 82 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.650 88.4 57.0 -73.6 -10.4 33.1 4.7 32.7 79 97 A N T 45S+ 0 0 146 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.849 124.4 19.3 -87.8 -35.9 30.8 1.9 31.6 80 98 A T T 45S- 0 0 69 -3,-0.2 -2,-0.2 2,-0.1 77,-0.1 0.654 94.7-132.1-104.7 -18.4 31.3 2.3 27.9 81 99 A L T ><5 + 0 0 32 -4,-2.3 3,-0.8 1,-0.3 2,-0.2 0.690 48.4 159.9 71.4 26.2 34.6 4.3 28.0 82 100 A N B 3 < +P 77 0D 36 -5,-0.5 -5,-2.0 1,-0.3 -1,-0.3 -0.570 67.3 18.2 -74.5 142.1 33.1 6.7 25.5 83 101 A N T 3 S+ 0 0 19 -7,-0.2 2,-2.2 -2,-0.2 -10,-0.3 0.895 80.0 174.6 62.4 45.5 35.0 10.1 25.7 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.450 33.4 115.0 -81.3 72.3 37.9 8.4 27.5 85 103 A I + 0 0 0 -2,-2.2 -12,-2.1 -47,-0.3 2,-0.3 -0.994 37.4 179.5-141.6 147.4 40.2 11.4 27.5 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.6 -2,-0.3 2,-0.4 -0.994 16.6-145.8-148.5 144.4 41.7 13.6 30.3 87 105 A L E -MO 36 71C 0 -16,-2.3 -16,-3.0 -2,-0.3 2,-0.5 -0.888 11.2-162.3-111.7 141.6 44.0 16.7 30.4 88 106 A I E -MO 35 70C 0 -53,-2.3 -53,-2.1 -2,-0.4 2,-0.4 -0.994 7.4-151.2-124.5 128.7 46.5 17.2 33.3 89 107 A K E -MO 34 69C 47 -20,-2.5 -21,-3.2 -2,-0.5 -20,-0.8 -0.816 21.7-129.2 -97.8 139.5 47.9 20.6 33.9 90 108 A L E - 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