==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=17-JUN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-NOV-06 2J9N . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR R.VIOLA,P.CARMAN,J.WALSH,E.MILLER,M.BENNING,D.FRANKEL, . 241 3 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10048.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 58.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 71 29.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 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 1.7 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 . 1 0.4 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 . 17 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 5.4 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 1 0 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 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 2 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 120.2 35.2 49.1 18.8 2 17 A V B +A 171 0A 9 169,-3.0 169,-2.0 1,-0.2 123,-0.1 -0.878 360.0 6.5-100.4 129.6 37.4 48.3 15.8 3 18 A G S S+ 0 0 44 121,-0.6 -1,-0.2 -2,-0.5 2,-0.1 0.743 103.6 117.4 75.5 22.8 39.1 51.3 14.1 4 19 A G - 0 0 36 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.068 56.8-110.1-103.4-154.3 38.0 53.8 16.7 5 20 A Y E -B 137 0B 96 132,-2.4 132,-3.1 -3,-0.1 2,-0.5 -0.937 33.4 -89.4-140.5 157.4 39.7 56.1 19.2 6 21 A T E -B 136 0B 71 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.609 37.6-150.5 -68.4 119.3 40.2 56.5 22.9 7 22 A a - 0 0 17 128,-1.9 -1,-0.2 -2,-0.5 129,-0.1 0.887 34.7-112.6 -58.5 -44.8 37.2 58.7 23.9 8 23 A G > - 0 0 25 127,-0.5 3,-1.9 -3,-0.1 4,-0.3 0.034 48.8 -56.3 105.9 134.8 38.9 60.4 26.9 9 24 A A T 3 S- 0 0 51 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.187 116.5 -13.1 -51.5 125.8 37.8 59.9 30.5 10 25 A N T 3 S+ 0 0 21 42,-0.3 -1,-0.3 2,-0.2 43,-0.1 0.615 91.5 125.5 60.5 21.2 34.2 60.6 31.2 11 26 A T S < S+ 0 0 87 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.1 0.541 76.2 49.6 -81.9 -10.2 33.6 62.4 27.9 12 27 A V S > S+ 0 0 6 -4,-0.3 3,-1.9 87,-0.1 -1,-0.2 -0.725 74.7 173.5-122.5 73.1 30.7 59.9 27.2 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-1.6 0, 0.0 38,-0.3 0.616 71.1 56.3 -71.7 -9.3 28.9 60.3 30.6 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.3 88,-0.1 2,-0.3 0.473 81.9 108.7 -92.9 -9.5 25.8 58.2 29.7 15 30 A Q E < -J 28 0C 5 -3,-1.9 36,-0.5 13,-0.2 37,-0.4 -0.567 49.5-173.4 -71.7 129.7 27.9 55.2 28.8 16 31 A V E -J 27 0C 0 11,-2.4 11,-1.2 -2,-0.3 2,-0.5 -0.870 19.8-138.8-119.1 156.0 27.7 52.3 31.4 17 32 A S E -JK 26 49C 0 32,-2.2 32,-2.7 -2,-0.3 2,-0.5 -0.962 15.5-143.4-106.5 132.0 29.5 49.0 31.8 18 33 A L E -JK 25 48C 0 7,-2.9 6,-2.6 -2,-0.5 7,-1.0 -0.866 22.6-165.7 -94.9 124.5 27.3 46.0 32.8 19 34 A N E +JK 23 47C 19 28,-2.8 28,-2.6 -2,-0.5 4,-0.2 -0.949 30.6 167.5-120.6 131.3 29.3 43.8 35.1 20 35 A S S S- 0 0 36 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.258 97.5 -48.5-126.6 44.5 28.6 40.2 36.2 21 36 A G S S+ 0 0 67 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.216 140.4 30.4 100.0 -9.7 32.1 39.6 37.8 22 37 A Y S S- 0 0 130 -4,-0.0 -2,-2.2 0, 0.0 2,-0.2 -0.924 103.6 -81.1-168.9 151.0 33.5 41.1 34.5 23 38 A H E +J 19 0C 35 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.514 52.4 158.7 -60.2 129.4 32.5 43.6 31.9 24 39 A F E - 0 0 10 -6,-2.6 2,-0.3 1,-0.4 151,-0.3 0.515 56.9 -0.4-130.0 -13.7 30.1 41.9 29.5 25 40 A b E -J 18 0C 0 -7,-1.0 -7,-2.9 216,-0.1 -1,-0.4 -0.979 61.7-116.6-166.3 161.5 28.0 44.6 27.8 26 41 A G E +J 17 0C 0 151,-3.0 12,-0.4 -2,-0.3 2,-0.3 -0.473 27.5 178.6 -93.7 178.0 27.4 48.3 27.5 27 42 A G E -J 16 0C 0 -11,-1.2 -11,-2.4 -2,-0.2 2,-0.4 -0.938 23.6-118.2-165.6 175.7 24.3 50.3 28.3 28 43 A S E -JL 15 36C 0 8,-2.3 8,-2.8 -2,-0.3 2,-0.5 -0.996 18.8-131.2-132.0 130.0 23.0 53.9 28.3 29 44 A L E + L 0 35C 1 -15,-2.3 74,-2.2 -2,-0.4 6,-0.2 -0.649 27.3 172.7 -79.3 121.1 21.8 55.9 31.3 30 45 A I E - 0 0 19 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.608 67.7 -11.4-109.6 -17.1 18.5 57.5 30.4 31 46 A N E > S- L 0 34C 50 3,-1.3 3,-0.7 70,-0.1 -1,-0.3 -0.928 89.4 -75.6-160.0-174.0 17.6 58.8 33.9 32 47 A S T 3 S+ 0 0 41 -2,-0.3 62,-3.1 1,-0.2 60,-0.1 0.691 127.9 29.0 -63.3 -19.6 18.8 58.5 37.5 33 48 A Q T 3 S+ 0 0 76 60,-0.2 57,-2.5 1,-0.1 2,-0.4 0.426 110.2 70.1-118.4 -2.6 17.2 55.0 37.9 34 49 A W E < -LM 31 89C 3 -3,-0.7 -4,-2.6 55,-0.2 -3,-1.3 -0.972 46.9-172.7-134.1 138.3 17.2 53.4 34.5 35 50 A V E -LM 29 88C 0 53,-2.7 53,-2.6 -2,-0.4 2,-0.4 -0.948 15.0-146.7-119.9 139.3 19.6 52.0 31.9 36 51 A V E +LM 28 87C 0 -8,-2.8 -8,-2.3 -2,-0.4 2,-0.2 -0.905 32.7 147.7-103.9 133.6 18.8 50.9 28.4 37 52 A S E - M 0 86C 0 49,-2.8 49,-2.2 -2,-0.4 2,-0.3 -0.736 49.4 -68.1-142.1-168.4 20.7 48.0 26.9 38 53 A A > - 0 0 0 -12,-0.4 3,-1.5 47,-0.3 47,-0.3 -0.739 31.4-133.1 -90.3 140.0 20.3 45.1 24.4 39 54 A A G > S+ 0 0 3 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.833 107.9 64.2 -58.1 -32.2 18.0 42.1 25.3 40 55 A H G 3 S+ 0 0 6 1,-0.3 202,-0.6 41,-0.1 -1,-0.3 0.638 93.3 64.2 -71.4 -8.1 20.8 39.8 24.2 41 56 A b G < S+ 0 0 0 -3,-1.5 -1,-0.3 200,-0.1 -2,-0.2 0.407 74.8 135.2 -86.1 -2.8 22.8 41.2 27.1 42 57 A Y < + 0 0 102 -3,-2.0 2,-0.3 200,-0.2 3,-0.0 -0.257 22.8 161.3 -50.7 130.9 20.3 39.8 29.6 43 58 A K - 0 0 23 200,-0.1 3,-0.1 199,-0.1 -2,-0.0 -0.955 44.7-122.7-143.4 157.3 22.0 38.0 32.6 44 59 A S S S+ 0 0 114 -2,-0.3 2,-0.6 1,-0.2 -1,-0.1 0.860 100.7 43.9 -68.0 -41.6 20.5 37.2 36.0 45 60 A G S S+ 0 0 45 -25,-0.1 2,-0.4 -3,-0.0 -1,-0.2 -0.941 72.3 168.1-113.9 113.9 23.0 39.1 38.1 46 61 A I - 0 0 14 -2,-0.6 21,-2.6 21,-0.2 2,-0.5 -0.995 18.8-169.9-130.9 126.9 23.9 42.6 36.8 47 62 A Q E -KN 19 66C 50 -28,-2.6 -28,-2.8 -2,-0.4 2,-0.4 -0.983 22.1-139.9-108.1 127.2 25.9 45.4 38.5 48 63 A V E -KN 18 65C 0 17,-2.8 17,-2.8 -2,-0.5 2,-0.6 -0.727 12.3-158.8 -87.0 128.9 25.7 48.7 36.6 49 64 A R E -KN 17 64C 49 -32,-2.7 -32,-2.2 -2,-0.4 3,-0.3 -0.947 13.1-178.7-115.5 112.4 29.0 50.7 36.5 50 65 A L E + N 0 63C 2 13,-2.9 13,-2.0 -2,-0.6 -34,-0.1 -0.689 61.3 30.1-104.1 160.5 28.6 54.4 35.8 51 66 A G S S+ 0 0 6 -36,-0.5 10,-0.3 -38,-0.3 2,-0.3 0.712 84.1 154.1 65.7 21.9 31.4 57.0 35.5 52 67 A E + 0 0 9 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.605 21.9 152.1 -83.7 140.4 33.9 54.4 34.1 53 68 A D S S+ 0 0 16 1,-0.4 2,-0.7 -2,-0.3 -1,-0.2 0.403 81.2 31.2-115.5 -80.0 36.9 55.0 31.9 54 69 A N S > S- 0 0 28 80,-0.2 3,-1.1 1,-0.1 -1,-0.4 -0.686 72.2-160.4 -74.2 115.5 39.4 52.2 32.7 55 70 A I T 3 S+ 0 0 27 78,-2.8 -1,-0.1 -2,-0.7 79,-0.1 0.538 88.1 51.3 -76.8 -4.4 37.1 49.2 33.7 56 71 A N T 3 S+ 0 0 118 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.330 105.2 58.6-111.8 5.5 40.1 47.6 35.5 57 72 A V S < S- 0 0 77 -3,-1.1 2,-0.8 76,-0.2 -4,-0.3 -0.999 76.5-131.5-136.4 130.5 41.2 50.5 37.7 58 73 A V + 0 0 114 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.749 33.5 172.0 -78.1 111.2 39.1 52.4 40.3 59 74 A E - 0 0 99 -2,-0.8 -1,-0.2 -5,-0.2 -7,-0.0 0.571 51.4 -96.9-103.3 -16.0 40.0 55.9 39.2 60 75 A G S S+ 0 0 58 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.304 104.3 74.7 122.7 -10.3 37.6 57.9 41.4 61 76 A N + 0 0 63 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.321 66.3 120.9-113.9 10.0 34.4 58.8 39.5 62 77 A E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.369 41.5-165.1 -76.3 150.4 32.7 55.4 39.4 63 78 A Q E -N 50 0C 36 -13,-2.0 -13,-2.9 -2,-0.1 2,-0.6 -0.989 7.8-162.8-126.6 126.1 29.3 54.6 40.8 64 79 A F E +N 49 0C 82 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.949 17.4 169.0-109.9 115.7 28.6 50.8 41.2 65 80 A I E -N 48 0C 12 -17,-2.8 -17,-2.8 -2,-0.6 -2,-0.1 -0.983 27.8-132.7-134.9 121.6 24.9 50.1 41.6 66 81 A S E -N 47 0C 54 -2,-0.4 25,-2.7 -19,-0.3 26,-0.3 -0.339 29.2-108.6 -68.3 151.0 23.3 46.6 41.4 67 82 A A E -O 90 0C 23 -21,-2.6 23,-0.3 23,-0.2 -21,-0.2 -0.600 23.4-169.7 -76.9 138.7 20.2 46.1 39.3 68 83 A S E S+ 0 0 63 21,-2.9 2,-0.3 1,-0.3 22,-0.2 0.751 74.1 6.7 -93.0 -30.6 16.9 45.6 41.1 69 84 A K E -O 89 0C 88 20,-1.2 20,-2.7 2,-0.0 2,-0.4 -0.995 56.9-157.3-150.9 144.7 15.0 44.5 38.0 70 85 A S E -O 88 0C 44 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.969 8.2-166.4-119.3 144.5 15.5 43.7 34.3 71 86 A I E -O 87 0C 35 16,-2.8 16,-2.3 -2,-0.4 2,-0.2 -0.905 5.1-160.4-133.2 98.0 12.8 44.0 31.6 72 87 A V E -O 86 0C 49 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.599 43.3 -87.2 -69.8 141.3 13.5 42.4 28.3 73 88 A H > - 0 0 22 12,-2.3 3,-1.7 10,-0.3 -1,-0.1 -0.193 35.2-123.7 -49.7 138.1 11.2 43.7 25.5 74 89 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.844 110.7 41.0 -56.8 -33.3 7.9 41.7 25.4 75 90 A S T 3 S+ 0 0 70 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.154 79.7 144.9-102.3 15.4 8.5 40.8 21.7 76 91 A Y < - 0 0 37 -3,-1.7 2,-0.6 9,-0.1 7,-0.2 -0.377 30.8-164.2 -56.4 126.6 12.3 40.1 21.9 77 92 A N B >> -P 82 0D 39 5,-2.2 4,-2.3 1,-0.1 5,-0.5 -0.949 7.5-165.7-115.1 108.1 13.2 37.3 19.5 78 93 A S T 45S+ 0 0 11 157,-1.3 158,-0.2 -2,-0.6 -1,-0.1 0.652 85.9 57.1 -70.3 -17.4 16.7 35.9 20.3 79 94 A N T 45S+ 0 0 111 156,-0.8 -1,-0.2 1,-0.1 157,-0.1 0.922 123.4 20.4 -75.0 -49.0 16.9 34.1 16.9 80 95 A T T 45S- 0 0 68 2,-0.1 -2,-0.2 -3,-0.1 77,-0.1 0.610 97.4-129.6 -93.8 -15.0 16.4 37.2 14.7 81 96 A L T ><5 + 0 0 1 -4,-2.3 3,-0.9 1,-0.3 2,-0.2 0.592 50.5 159.6 64.9 17.9 17.4 39.8 17.3 82 97 A N B 3 < +P 77 0D 38 -5,-0.5 -5,-2.2 1,-0.3 -1,-0.3 -0.492 67.9 14.5 -64.7 135.9 14.2 41.7 16.5 83 98 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.892 80.1 177.6 62.9 44.9 13.3 44.0 19.4 84 99 A D < + 0 0 1 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.489 35.1 114.4 -83.7 78.9 16.8 43.7 20.9 85 100 A I + 0 0 0 -2,-2.1 -12,-2.3 -47,-0.3 2,-0.3 -0.995 37.2 178.9-151.8 141.2 16.2 46.1 23.8 86 101 A M E -MO 37 72C 0 -49,-2.2 -49,-2.8 -2,-0.3 2,-0.4 -0.990 18.5-140.7-143.5 145.1 16.1 45.7 27.6 87 102 A L E -MO 36 71C 0 -16,-2.3 -16,-2.8 -2,-0.3 2,-0.4 -0.867 13.9-162.5-106.9 142.1 15.5 48.1 30.5 88 103 A I E -MO 35 70C 0 -53,-2.6 -53,-2.7 -2,-0.4 2,-0.4 -0.995 6.2-150.9-127.0 125.0 17.5 47.8 33.7 89 104 A K E -MO 34 69C 40 -20,-2.7 -21,-2.9 -2,-0.4 -20,-1.2 -0.836 15.8-132.0 -98.4 133.8 16.4 49.5 36.9 90 105 A L E - 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