==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-JAN-04 1S5S . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: SUS SCROFA; . AUTHOR T.R.TRANSUE,J.M.KRAHN,S.A.GABEL,E.F.DEROSE,R.E.LONDON . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9406.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 60.1 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 . 15 6.7 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 . 0 0.0 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 1 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 120.5 25.1 28.4 7.9 2 17 A V B +A 171 0A 7 169,-2.7 169,-1.9 1,-0.2 123,-0.1 -0.829 360.0 12.2-100.6 134.3 22.7 27.3 10.6 3 18 A G S S+ 0 0 43 121,-0.6 -1,-0.2 -2,-0.4 2,-0.1 0.717 102.9 117.8 78.0 17.7 19.6 29.4 11.1 4 19 A G - 0 0 32 -3,-0.4 2,-0.3 120,-0.1 134,-0.2 -0.072 57.1-121.2 -96.1-162.5 20.0 31.3 7.9 5 20 A Y E -B 137 0B 104 132,-2.2 132,-2.8 -3,-0.1 2,-0.5 -0.938 36.1 -86.5-139.2 161.8 18.1 31.7 4.7 6 21 A T E -B 136 0B 68 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.566 46.9-128.1 -73.2 121.9 18.8 31.1 1.0 7 22 A a - 0 0 3 128,-2.0 3,-0.1 -2,-0.5 128,-0.1 -0.413 30.9 -95.6 -59.3 150.5 20.5 34.2 -0.5 8 23 A A > - 0 0 67 1,-0.1 3,-2.3 2,-0.1 4,-0.2 -0.403 61.4 -82.3 -58.1 141.6 19.1 35.6 -3.6 9 24 A A T 3 S- 0 0 57 1,-0.3 -1,-0.1 2,-0.1 44,-0.1 -0.225 110.4 -5.9 -56.3 128.2 21.1 34.1 -6.6 10 25 A N T 3 S+ 0 0 30 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.622 93.2 126.1 64.9 15.4 24.3 36.0 -7.1 11 26 A S S < S+ 0 0 62 -3,-2.3 -2,-0.1 1,-0.2 -1,-0.1 0.517 72.7 52.5 -79.7 -7.0 23.4 38.7 -4.5 12 27 A I S > S+ 0 0 10 -4,-0.2 3,-2.0 87,-0.1 -1,-0.2 -0.723 72.2 170.4-122.4 67.1 26.7 38.0 -2.7 13 28 A P T 3 S+ 0 0 29 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.635 71.3 57.1 -68.3 -14.8 28.9 38.5 -5.8 14 29 A Y T 3 S+ 0 0 24 86,-0.2 15,-2.2 88,-0.1 2,-0.4 0.437 83.3 107.1 -86.2 -11.6 32.2 38.5 -3.8 15 30 A Q E < -J 28 0C 4 -3,-2.0 36,-0.5 13,-0.2 37,-0.4 -0.586 49.3-176.2 -73.5 128.9 31.5 35.0 -2.4 16 31 A V E -J 27 0C 1 11,-2.4 11,-1.2 -2,-0.4 2,-0.5 -0.867 21.7-135.5-117.1 160.8 33.5 32.2 -3.8 17 32 A S E -JK 26 49C 1 32,-2.3 32,-2.9 -2,-0.3 2,-0.5 -0.967 14.8-144.6-107.9 129.6 33.6 28.4 -3.4 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.8 -2,-0.5 7,-1.2 -0.870 25.0-170.1 -94.5 126.9 37.0 26.7 -3.0 19 34 A N E +JK 23 47C 12 28,-2.9 28,-2.6 -2,-0.5 4,-0.2 -0.946 30.9 166.0-124.5 138.8 36.8 23.4 -4.7 20 37 A S S S- 0 0 63 2,-2.0 3,-0.1 -2,-0.4 -1,-0.1 -0.134 98.5 -38.3-139.1 41.6 39.2 20.3 -4.7 21 38 A G S S+ 0 0 75 26,-0.1 2,-0.3 0, 0.0 -2,-0.1 -0.279 141.8 14.7 117.1 -34.7 36.9 17.7 -6.2 22 39 A S S S- 0 0 82 -4,-0.1 -2,-2.0 0, 0.0 2,-0.1 -0.954 104.4 -69.3-150.9 168.6 34.0 19.2 -4.1 23 40 A H E +J 19 0C 31 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.376 52.9 158.6 -57.3 132.9 33.3 22.4 -2.2 24 41 A F E + 0 0 36 -6,-2.8 2,-0.3 1,-0.4 151,-0.3 0.580 57.9 3.6-131.7 -20.0 35.4 22.6 1.0 25 42 A b E -J 18 0C 7 -7,-1.2 -7,-3.1 151,-0.1 -1,-0.4 -0.983 61.9-120.4-159.9 163.8 35.6 26.2 2.0 26 43 A G E +J 17 0C 1 151,-2.7 12,-0.4 -2,-0.3 2,-0.3 -0.490 27.1 175.5 -94.6 177.8 34.4 29.8 1.2 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.4 -2,-0.2 2,-0.4 -0.952 24.5-117.9-168.7 177.3 36.4 32.8 0.3 28 45 A S E -JL 15 36C 0 8,-2.4 8,-2.7 -2,-0.3 2,-0.6 -0.992 18.7-128.9-130.9 130.4 36.0 36.4 -0.8 29 46 A L E + L 0 35C 0 -15,-2.2 74,-2.0 -2,-0.4 6,-0.2 -0.644 35.0 163.8 -78.5 119.2 37.1 38.1 -4.0 30 47 A I E + 0 0 21 4,-2.3 2,-0.3 -2,-0.6 75,-0.2 0.570 67.6 13.5-116.1 -8.8 39.0 41.3 -2.9 31 48 A N E > S- L 0 34C 52 3,-1.5 3,-1.3 70,-0.1 -1,-0.4 -0.956 87.6 -99.5-154.4 159.7 40.8 42.0 -6.2 32 49 A S T 3 S+ 0 0 39 -2,-0.3 62,-3.1 1,-0.3 60,-0.1 0.801 126.5 32.5 -56.0 -24.8 40.3 40.7 -9.8 33 50 A Q T 3 S+ 0 0 70 60,-0.2 57,-2.6 1,-0.1 2,-0.4 0.412 112.9 68.0-111.2 2.2 43.3 38.4 -9.1 34 51 A W E < -LM 31 89C 3 -3,-1.3 -4,-2.3 55,-0.2 -3,-1.5 -0.986 47.3-172.2-139.8 136.4 43.0 37.6 -5.4 35 52 A V E -LM 29 88C 0 53,-2.5 53,-2.6 -2,-0.4 2,-0.4 -0.933 16.5-147.0-113.2 140.0 40.7 35.8 -3.0 36 53 A V E +LM 28 87C 0 -8,-2.7 -8,-2.4 -2,-0.4 51,-0.2 -0.886 32.0 146.6-107.8 141.0 41.0 36.0 0.8 37 54 A S E - M 0 86C 0 49,-2.8 49,-2.0 -2,-0.4 2,-0.4 -0.667 49.0 -65.2-149.3-165.9 40.1 32.9 2.9 38 55 A A > - 0 0 0 -12,-0.4 3,-1.5 47,-0.3 47,-0.3 -0.819 29.7-135.2 -99.1 140.6 41.2 31.1 6.1 39 56 A A G > S+ 0 0 2 -2,-0.4 3,-2.2 1,-0.3 -1,-0.1 0.831 106.0 65.4 -62.1 -26.7 44.6 29.5 6.6 40 57 A H G 3 S+ 0 0 74 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.649 94.3 62.8 -72.7 -11.7 42.9 26.5 8.2 41 58 A b G < S+ 0 0 4 -3,-1.5 -1,-0.3 -15,-0.1 -2,-0.2 0.308 77.8 142.2 -81.6 0.5 41.4 26.0 4.7 42 59 A Y < + 0 0 120 -3,-2.2 2,-0.3 2,-0.0 -3,-0.1 -0.229 16.6 160.7 -54.1 133.3 44.9 25.4 3.1 43 60 A K - 0 0 85 1,-0.0 3,-0.1 3,-0.0 -2,-0.0 -0.953 42.9-129.6-138.8 152.4 45.2 22.8 0.4 44 61 A S S S+ 0 0 90 -2,-0.3 2,-0.4 1,-0.2 26,-0.0 0.738 99.2 41.9 -76.7 -18.9 48.1 22.7 -2.1 45 62 A R S S+ 0 0 213 2,-0.0 2,-0.3 -25,-0.0 -1,-0.2 -0.998 72.3 165.7-128.5 122.8 45.6 22.5 -5.1 46 63 A I - 0 0 9 -2,-0.4 21,-2.9 21,-0.2 2,-0.5 -0.994 24.6-156.3-140.5 136.8 42.5 24.7 -5.2 47 64 A Q E -KN 19 66C 48 -28,-2.6 -28,-2.9 -2,-0.3 2,-0.5 -0.950 20.7-142.9-104.6 126.0 40.0 25.6 -7.9 48 65 A V E -KN 18 65C 0 17,-2.9 17,-2.8 -2,-0.5 2,-0.6 -0.791 9.9-158.8 -90.9 129.6 38.2 28.9 -7.2 49 66 A R E -KN 17 64C 49 -32,-2.9 -32,-2.3 -2,-0.5 3,-0.3 -0.928 14.4-178.5-113.4 108.9 34.5 28.9 -8.3 50 67 A L E + N 0 63C 2 13,-2.9 13,-2.1 -2,-0.6 -34,-0.1 -0.676 60.5 30.8-100.7 157.9 33.2 32.4 -8.7 51 69 A G S S+ 0 0 4 -36,-0.5 2,-0.3 -38,-0.3 10,-0.3 0.717 84.8 151.8 72.0 17.2 29.6 33.5 -9.7 52 70 A E + 0 0 8 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.612 22.7 151.0 -82.2 147.7 28.1 30.4 -8.0 53 71 A H S S+ 0 0 14 1,-0.3 82,-1.1 -2,-0.3 2,-0.8 0.479 81.8 35.7-124.0 -62.3 24.7 30.0 -6.5 54 72 A N B > -P 134 0D 27 3,-0.2 3,-1.1 80,-0.2 -1,-0.3 -0.857 69.0-167.0 -88.0 108.8 23.9 26.3 -6.9 55 73 A I T 3 S+ 0 0 27 78,-2.4 -1,-0.1 -2,-0.8 79,-0.1 0.626 85.9 54.9 -71.9 -11.0 27.3 24.6 -6.5 56 74 A D T 3 S+ 0 0 112 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.504 107.6 49.9-100.3 -5.6 25.8 21.3 -7.9 57 75 A V S < S- 0 0 78 -3,-1.1 2,-0.7 76,-0.2 -4,-0.3 -0.999 77.5-124.9-137.8 136.4 24.5 22.8 -11.2 58 76 A L + 0 0 128 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.682 32.7 171.9 -75.5 113.2 26.1 24.9 -13.9 59 77 A E - 0 0 105 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.572 52.3-103.4-104.5 -14.1 23.6 27.8 -14.2 60 78 A G S S+ 0 0 64 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.164 103.7 79.7 116.1 -16.4 25.7 30.0 -16.6 61 79 A N + 0 0 55 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.358 66.4 118.1 -99.2 1.5 27.3 32.7 -14.4 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.389 42.8-167.7 -72.4 147.0 30.2 30.6 -13.0 63 81 A Q E -N 50 0C 34 -13,-2.1 -13,-2.9 -2,-0.1 2,-0.6 -0.987 7.1-161.5-128.2 120.7 33.9 31.2 -13.6 64 82 A F E +N 49 0C 75 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.937 17.8 170.4-104.8 118.2 36.2 28.4 -12.6 65 83 A I E -N 48 0C 13 -17,-2.8 -17,-2.9 -2,-0.6 2,-0.1 -0.994 28.3-128.5-136.1 125.1 39.7 29.5 -12.2 66 84 A N E -N 47 0C 91 -2,-0.4 25,-2.6 -19,-0.2 2,-0.3 -0.377 29.5-107.6 -70.2 148.6 42.6 27.5 -10.7 67 85 A A E -O 90 0C 23 -21,-2.9 23,-0.2 23,-0.2 -21,-0.2 -0.607 29.5-175.7 -73.2 131.3 44.7 29.0 -7.9 68 86 A A E S+ 0 0 60 21,-3.3 2,-0.3 1,-0.3 22,-0.2 0.732 74.1 20.4 -93.7 -36.5 48.2 29.9 -9.1 69 87 A K E -O 89 0C 80 20,-1.3 20,-2.4 2,-0.0 2,-0.4 -0.994 60.1-168.5-136.2 142.7 49.6 30.9 -5.6 70 88 A I E -O 88 0C 37 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.978 12.4-178.4-135.8 112.0 48.3 30.0 -2.1 71 89 A I E -O 87 0C 44 16,-3.0 16,-2.8 -2,-0.4 2,-0.2 -0.942 9.0-161.4-124.5 107.9 49.9 32.1 0.7 72 90 A T E -O 86 0C 53 -2,-0.5 14,-0.2 14,-0.3 12,-0.1 -0.552 41.9 -87.5 -80.3 151.2 49.0 31.4 4.4 73 91 A H > - 0 0 18 12,-2.4 3,-2.0 10,-0.3 -1,-0.1 -0.337 35.0-130.8 -57.8 131.2 49.7 34.1 7.0 74 92 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.789 106.5 47.0 -62.0 -21.0 53.3 33.6 8.1 75 93 A N T 3 S+ 0 0 108 8,-0.1 2,-0.1 2,-0.1 9,-0.1 0.206 76.8 139.9-107.0 16.6 52.2 33.8 11.8 76 94 A F < - 0 0 64 -3,-2.0 2,-0.5 7,-0.1 7,-0.2 -0.386 37.3-158.8 -56.4 132.3 49.2 31.5 11.5 77 95 A N > - 0 0 70 5,-2.0 4,-2.1 -2,-0.1 5,-0.3 -0.977 8.5-159.7-116.0 114.7 49.0 29.3 14.6 78 96 A G T 4 S+ 0 0 58 -2,-0.5 -1,-0.1 2,-0.2 -2,-0.0 0.545 90.2 50.9 -72.0 -11.6 47.0 26.1 14.1 79 97 A N T 4 S+ 0 0 139 3,-0.1 -1,-0.2 1,-0.0 -2,-0.0 0.917 124.1 22.9 -85.3 -61.8 46.4 25.7 17.8 80 98 A T T 4 S- 0 0 65 2,-0.1 -2,-0.2 1,-0.0 77,-0.2 0.657 96.1-133.9 -81.0 -14.8 45.1 29.1 18.8 81 99 A L >< + 0 0 34 -4,-2.1 3,-0.9 1,-0.2 -3,-0.2 0.535 47.9 159.1 62.1 16.5 43.9 29.9 15.3 82 100 A D T 3 + 0 0 35 -5,-0.3 -5,-2.0 1,-0.2 -1,-0.2 -0.404 64.6 17.7 -65.5 142.1 45.5 33.4 15.6 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.0 1,-0.2 -10,-0.3 0.862 77.2 174.7 59.6 46.1 46.2 34.9 12.1 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.466 33.0 117.4 -84.0 79.4 43.8 32.5 10.4 85 103 A I - 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