==== 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 1O3I . 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) . 9157.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 59.2 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 . 14 6.3 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 . 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 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 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 2 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 127.4 52.9 -3.6 25.1 2 17 A V B +A 171 0A 10 169,-2.7 169,-1.9 1,-0.2 123,-0.1 -0.870 360.0 7.5-104.1 136.5 52.9 -7.3 24.0 3 18 A G S S+ 0 0 48 121,-0.5 -1,-0.2 -2,-0.4 2,-0.1 0.712 102.0 124.1 67.6 22.5 55.0 -8.3 21.0 4 19 A G - 0 0 31 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.165 54.4-121.6 -99.8-166.6 56.7 -4.9 20.9 5 20 A Y E -B 137 0B 93 132,-2.6 132,-2.9 -3,-0.1 2,-0.4 -0.918 34.1 -84.6-135.9 164.4 60.4 -3.9 21.0 6 21 A T E -B 136 0B 71 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.534 35.2-150.1 -70.1 124.8 62.5 -1.7 23.2 7 22 A a - 0 0 18 128,-2.1 -1,-0.2 -2,-0.4 129,-0.1 0.891 35.7-113.0 -65.5 -41.5 62.2 1.8 21.9 8 23 A G > - 0 0 29 127,-0.5 3,-1.7 -3,-0.0 4,-0.3 0.103 49.5 -58.8 112.5 133.2 65.7 3.1 23.0 9 24 A A T 3 S- 0 0 57 1,-0.2 44,-0.1 2,-0.1 43,-0.1 -0.159 118.2 -8.4 -49.8 130.9 66.1 5.8 25.7 10 25 A N T 3 S+ 0 0 34 42,-0.4 -1,-0.2 2,-0.1 43,-0.1 0.665 89.9 124.8 53.8 29.5 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 0.592 78.0 49.2 -87.2 -10.4 63.4 8.1 21.3 12 27 A V S > S+ 0 0 9 -4,-0.3 3,-1.7 87,-0.1 -1,-0.3 -0.715 73.9 173.7-123.2 73.0 59.7 8.9 22.2 13 28 A P T 3 S+ 0 0 33 0, 0.0 88,-1.6 0, 0.0 38,-0.3 0.605 72.3 56.4 -65.5 -11.1 60.3 12.3 23.9 14 29 A Y T 3 S+ 0 0 23 86,-0.2 15,-2.4 88,-0.1 2,-0.3 0.501 80.5 107.8 -97.7 -5.7 56.5 13.1 24.3 15 30 A Q E < -J 28 0C 6 -3,-1.7 36,-0.4 13,-0.2 37,-0.4 -0.538 48.9-173.9 -71.4 130.1 55.8 9.9 26.3 16 31 A V E -J 27 0C 0 11,-2.3 11,-1.0 -2,-0.3 2,-0.4 -0.858 18.9-137.8-121.6 160.6 55.1 10.6 30.1 17 32 A S E -JK 26 49C 1 32,-2.2 32,-2.7 -2,-0.3 2,-0.6 -0.958 14.3-141.5-113.7 135.3 54.6 8.0 33.0 18 33 A L E -JK 25 48C 0 7,-2.9 6,-2.3 -2,-0.4 7,-1.0 -0.890 27.5-170.3 -98.8 123.2 51.8 8.8 35.5 19 34 A N E +JK 23 47C 18 28,-2.8 28,-2.3 -2,-0.6 4,-0.2 -0.955 31.6 168.2-120.5 134.6 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 -0.370 97.0 -48.3-132.3 45.2 51.4 7.5 42.4 21 38 A G S S+ 0 0 71 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.422 140.9 33.3 99.6 -1.9 54.2 5.6 44.1 22 39 A Y S S- 0 0 130 -4,-0.0 -2,-2.0 0, 0.0 2,-0.4 -0.931 102.2 -86.2-170.6 159.7 54.4 3.2 41.1 23 40 A H E +J 19 0C 30 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.637 51.1 159.3 -77.0 128.1 53.8 3.6 37.3 24 41 A F E + 0 0 32 -6,-2.3 2,-0.3 1,-0.4 151,-0.3 0.628 59.1 1.3-124.1 -25.7 50.0 3.1 36.6 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-2.9 151,-0.1 -1,-0.4 -0.961 62.1-125.6-153.8 170.0 49.3 4.8 33.2 26 43 A G E +J 17 0C 1 151,-2.9 12,-0.4 -2,-0.3 2,-0.3 -0.452 24.6 179.7-109.6-176.8 51.0 6.7 30.3 27 44 A G E -J 16 0C 0 -11,-1.0 -11,-2.3 -2,-0.2 2,-0.4 -0.962 24.6-113.0-172.1 174.2 50.3 10.1 28.8 28 45 A S E -JL 15 36C 1 8,-2.3 8,-2.4 -2,-0.3 2,-0.5 -0.990 20.2-131.0-128.4 132.4 51.5 12.5 26.1 29 46 A L E + L 0 35C 1 -15,-2.4 74,-1.8 -2,-0.4 6,-0.3 -0.690 28.2 172.9 -78.1 120.8 53.1 15.9 26.6 30 47 A I E - 0 0 19 4,-2.3 2,-0.3 -2,-0.5 5,-0.2 0.579 69.2 -6.2-107.6 -12.2 51.2 18.4 24.2 31 48 A N E > S- L 0 34C 44 3,-1.2 3,-0.7 70,-0.1 -1,-0.3 -0.939 91.7 -80.6-163.2 174.3 52.8 21.7 25.5 32 49 A S T 3 S+ 0 0 46 -2,-0.3 62,-2.9 1,-0.2 60,-0.1 0.657 127.4 29.9 -66.0 -10.4 55.2 22.5 28.4 33 50 A Q T 3 S+ 0 0 61 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.410 111.1 68.4-126.2 2.6 52.4 22.5 31.0 34 51 A W E < -LM 31 89C 10 -3,-0.7 -4,-2.3 55,-0.2 -3,-1.2 -0.972 47.7-176.7-132.0 142.2 49.8 20.0 29.7 35 52 A V E -LM 29 88C 0 53,-2.1 53,-2.3 -2,-0.4 2,-0.4 -0.945 16.9-144.0-126.5 148.6 49.6 16.3 29.2 36 53 A V E +LM 28 87C 0 -8,-2.4 -8,-2.3 -2,-0.3 2,-0.2 -0.927 33.4 148.6-114.3 140.3 46.7 14.3 27.6 37 54 A S E - M 0 86C 0 49,-2.7 49,-2.4 -2,-0.4 2,-0.3 -0.748 50.1 -68.4-148.3-164.9 45.9 10.8 29.1 38 55 A A > - 0 0 0 -12,-0.4 3,-1.9 47,-0.3 47,-0.3 -0.781 31.3-130.7-100.1 143.5 42.8 8.7 29.5 39 56 A A G > S+ 0 0 4 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.823 107.2 64.4 -60.9 -32.4 39.9 9.6 31.9 40 57 A H G 3 S+ 0 0 70 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.556 94.1 61.8 -72.1 -1.1 40.0 6.1 33.3 41 58 A b G < S+ 0 0 4 -3,-1.9 -1,-0.3 -15,-0.0 -2,-0.2 0.366 79.1 127.9 -99.1 0.7 43.6 6.8 34.6 42 59 A Y < + 0 0 122 -3,-1.7 2,-0.3 -4,-0.1 -3,-0.0 -0.230 21.2 130.3 -59.8 147.3 42.2 9.6 36.8 43 60 A K - 0 0 54 3,-0.0 2,-0.2 0, 0.0 3,-0.2 -0.913 54.6 -98.1 179.9 168.6 43.1 9.6 40.6 44 61 A S S S+ 0 0 98 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.580 96.3 47.8 -98.7 166.5 44.5 12.2 43.0 45 62 A G S S+ 0 0 63 1,-0.2 2,-0.5 -2,-0.2 -1,-0.2 0.960 71.7 165.3 73.3 49.3 48.2 12.3 43.9 46 63 A I - 0 0 10 -3,-0.2 21,-2.0 21,-0.1 2,-0.4 -0.846 21.1-169.3-103.0 134.7 49.6 12.1 40.4 47 64 A Q E -KN 19 66C 50 -28,-2.3 -28,-2.8 -2,-0.5 2,-0.5 -0.964 19.1-140.2-115.6 135.9 53.3 13.0 39.8 48 65 A V E -KN 18 65C 0 17,-3.1 17,-2.3 -2,-0.4 2,-0.6 -0.860 12.0-156.7 -98.2 128.3 54.1 13.2 36.0 49 65AA R E -KN 17 64C 47 -32,-2.7 -32,-2.2 -2,-0.5 3,-0.3 -0.931 13.7-177.3-114.2 115.1 57.5 11.7 35.0 50 66 A L E + N 0 63C 2 13,-2.7 13,-2.0 -2,-0.6 -34,-0.1 -0.687 62.4 31.2-104.6 157.4 59.0 13.1 31.8 51 69 A G S S+ 0 0 6 -36,-0.4 2,-0.2 -38,-0.3 -1,-0.2 0.698 86.8 153.9 65.9 21.9 62.3 12.0 30.1 52 70 A E + 0 0 11 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.501 21.2 147.1 -85.3 151.8 61.9 8.5 31.4 53 71 A D S S+ 0 0 16 1,-0.4 2,-0.8 4,-0.2 82,-0.3 0.279 77.9 35.4-141.7 -72.5 63.2 5.3 30.0 54 72 A N S > S- 0 0 22 80,-0.2 3,-1.0 3,-0.2 -1,-0.4 -0.816 72.4-162.6 -88.6 112.3 63.9 2.9 32.9 55 73 A I T 3 S+ 0 0 24 78,-2.4 -1,-0.1 -2,-0.8 79,-0.1 0.615 84.4 52.3 -73.7 -10.2 61.1 3.7 35.4 56 74 A N T 3 S+ 0 0 118 77,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.451 107.0 54.2-103.7 1.4 62.9 2.1 38.4 57 75 A V S < S- 0 0 71 -3,-1.0 2,-0.6 76,-0.2 -4,-0.2 -0.998 73.5-133.7-132.5 138.6 66.2 3.9 38.0 58 76 A V + 0 0 113 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.808 38.8 158.7 -88.9 125.7 67.1 7.7 37.9 59 77 A E - 0 0 118 -2,-0.6 -1,-0.2 1,-0.3 2,-0.1 0.425 57.6 -83.0-125.1 -8.8 69.7 7.7 34.9 60 78 A G S S+ 0 0 34 -9,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.210 103.1 64.5 114.1 154.6 69.4 11.4 34.0 61 79 A N S S+ 0 0 75 1,-0.3 2,-0.1 -2,-0.1 -9,-0.1 0.244 70.3 131.9 82.6 -5.9 67.0 13.4 31.8 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 -11,-0.0 -1,-0.3 -0.440 36.3-171.1 -77.8 147.7 64.1 12.8 34.1 63 81 A Q E -N 50 0C 36 -13,-2.0 -13,-2.7 -2,-0.1 2,-0.5 -0.986 5.2-163.6-134.9 124.0 61.8 15.7 35.2 64 82 A F E +N 49 0C 81 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.970 17.7 169.4-110.4 118.3 59.2 14.8 38.0 65 83 A I E -N 48 0C 16 -17,-2.3 -17,-3.1 -2,-0.5 2,-0.1 -0.993 30.6-124.1-131.1 137.9 56.5 17.5 38.3 66 84 A S E -N 47 0C 53 -2,-0.4 25,-3.1 -19,-0.2 26,-0.3 -0.464 30.2-108.8 -79.8 156.2 53.3 17.2 40.3 67 85 A A E -O 90 0C 22 -21,-2.0 23,-0.3 23,-0.2 -21,-0.1 -0.663 20.6-162.2 -81.4 137.3 49.9 17.6 38.5 68 86 A S E S- 0 0 77 21,-2.9 2,-0.3 1,-0.4 22,-0.2 0.898 74.8 -12.4 -87.7 -52.1 48.2 20.9 39.5 69 87 A K E -O 89 0C 93 20,-0.8 20,-2.6 2,-0.0 2,-0.4 -0.966 56.1-146.7-144.3 161.8 44.6 19.7 38.1 70 88 A S E -O 88 0C 31 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.994 13.0-158.5-128.6 132.1 43.3 16.8 36.0 71 89 A I E -O 87 0C 32 16,-2.9 16,-2.2 -2,-0.4 2,-0.3 -0.947 5.6-160.9-117.7 105.1 40.2 17.6 33.8 72 90 A V E -O 86 0C 46 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.645 40.0 -92.7 -83.4 142.4 38.3 14.5 32.9 73 91 A H > - 0 0 22 12,-1.9 3,-2.0 -2,-0.3 -1,-0.1 -0.357 33.3-128.6 -55.6 131.5 36.0 15.0 29.9 74 92 A P T 3 S+ 0 0 104 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.795 107.9 47.4 -55.0 -32.9 32.5 16.1 31.3 75 93 A S T 3 S+ 0 0 77 2,-0.1 2,-0.1 8,-0.0 -2,-0.1 0.136 78.1 136.3 -98.2 21.1 30.8 13.4 29.1 76 94 A Y < - 0 0 57 -3,-2.0 2,-0.5 9,-0.1 7,-0.2 -0.478 39.0-159.7 -65.6 136.6 33.2 10.5 30.0 77 95 A N B >> -P 82 0D 62 5,-1.8 4,-2.3 -2,-0.1 5,-0.5 -0.978 8.0-160.0-120.8 113.8 31.1 7.3 30.7 78 96 A S T 45S+ 0 0 79 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.693 89.1 56.3 -71.3 -15.7 33.0 4.7 32.8 79 97 A N T 45S+ 0 0 146 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.836 124.0 20.4 -86.0 -32.7 30.8 1.9 31.7 80 98 A T T 45S- 0 0 69 -3,-0.3 -2,-0.2 2,-0.1 77,-0.1 0.652 94.1-133.3-106.3 -17.7 31.3 2.4 27.9 81 99 A L T ><5 + 0 0 32 -4,-2.3 3,-0.8 1,-0.3 2,-0.2 0.686 48.2 159.5 70.2 26.4 34.6 4.3 28.1 82 100 A N B 3 < +P 77 0D 36 -5,-0.5 -5,-1.8 1,-0.3 -1,-0.3 -0.572 67.0 18.7 -74.6 143.3 33.1 6.7 25.6 83 101 A N T 3 S+ 0 0 17 -7,-0.2 2,-2.1 -2,-0.2 -10,-0.3 0.904 79.5 173.7 61.5 46.4 35.1 10.1 25.8 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.425 33.7 113.7 -82.5 71.2 38.0 8.4 27.5 85 103 A I + 0 0 0 -2,-2.1 -12,-1.9 -47,-0.3 2,-0.3 -0.992 38.0 180.0-140.3 148.4 40.3 11.4 27.5 86 104 A M E -MO 37 72C 0 -49,-2.4 -49,-2.7 -2,-0.3 2,-0.4 -0.990 17.4-144.0-149.1 145.3 41.7 13.7 30.3 87 105 A L E -MO 36 71C 0 -16,-2.2 -16,-2.9 -2,-0.3 2,-0.5 -0.899 11.8-162.3-110.7 139.5 44.0 16.7 30.5 88 106 A I E -MO 35 70C 0 -53,-2.3 -53,-2.1 -2,-0.4 2,-0.4 -0.992 7.7-151.1-122.2 128.4 46.5 17.2 33.4 89 107 A K E -MO 34 69C 46 -20,-2.6 -21,-2.9 -2,-0.5 -20,-0.8 -0.792 21.4-128.6 -95.9 141.8 48.0 20.6 34.0 90 108 A L E - 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0 0 29 -88,-1.6 -72,-0.3 -2,-0.5 2,-0.1 -0.973 43.8-113.0-145.4 157.7 59.3 17.4 23.6 102 120 A S - 0 0 53 -2,-0.3 2,-0.3 -72,-0.1 -72,-0.3 -0.429 25.3-133.6 -88.3 167.9 55.6 17.9 23.0 103 121 A I - 0 0 17 -74,-1.8 2,-0.2 -89,-0.2 83,-0.1 -0.883 26.0-109.6-116.9 152.1 53.7 16.1 20.1 104 122 A S B -c 186 0B 66 81,-0.6 83,-2.7 -2,-0.3 -73,-0.1 -0.524 22.7-122.6 -84.6 150.7 51.3 17.9 17.8 105 123 A L - 0 0 34 81,-0.2 83,-0.1 -2,-0.2 -1,-0.1 -0.539 40.2 -99.6 -84.6 155.9 47.6 17.4 17.7 106 124 A P - 0 0 5 0, 0.0 3,-0.1 0, 0.0 -1,-0.1 -0.307 17.0-157.4 -80.5 162.6 46.0 16.3 14.3 107 125 A T S S+ 0 0 123 1,-0.3 2,-0.3 2,-0.1 -2,-0.0 0.505 85.0 17.5-109.1 -17.6 44.3 18.5 11.8 108 127 A S S S- 0 0 75 0, 0.0 -1,-0.3 0, 0.0 2,-0.1 -0.961 88.4-101.0-148.1 163.5 42.5 15.6 10.3 109 128 A c - 0 0 56 -2,-0.3 2,-0.2 -3,-0.1 -2,-0.1 -0.386 42.5-115.1 -80.7 166.7 41.6 12.1 11.4 110 129 A A - 0 0 31 78,-0.1 2,-0.2 -2,-0.1 -1,-0.1 -0.628 25.1-122.1-101.0 163.1 43.7 9.3 10.0 111 130 A S > - 0 0 87 -2,-0.2 3,-2.1 1,-0.1 31,-0.3 -0.659 34.5 -85.8-104.6 162.4 42.5 6.5 7.7 112 132 A A T 3 S+ 0 0 51 1,-0.3 31,-0.2 -2,-0.2 -1,-0.1 -0.236 116.6 40.2 -57.0 152.0 42.5 2.8 8.1 113 133 A G T 3 S+ 0 0 52 29,-3.1 -1,-0.3 1,-0.3 30,-0.1 0.083 79.8 132.0 91.0 -27.5 45.8 1.4 6.9 114 134 A T < - 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