==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 23-FEB-06 2G5N . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR A.D.KLINE,S.L.BRIGGS,S.SUBRAMANIAM . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9192.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 60.5 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 . 72 32.3 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 . 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 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 . 4 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 7 A I 0 0 2 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 121.5 -13.7 51.7 5.4 2 8 A V B +A 171 0A 9 169,-3.4 169,-2.1 1,-0.2 123,-0.1 -0.881 360.0 7.0-105.8 133.0 -14.8 53.6 2.3 3 9 A G S S+ 0 0 40 121,-0.5 -1,-0.2 -2,-0.4 169,-0.1 0.698 104.0 119.1 74.0 18.5 -18.4 53.5 1.2 4 10 A G - 0 0 34 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.003 57.0-115.8 -97.0-155.5 -19.4 51.6 4.3 5 11 A Y E -B 137 0B 109 132,-2.4 132,-3.4 -3,-0.1 2,-0.5 -0.967 33.8 -86.3-145.3 158.2 -21.8 52.2 7.1 6 12 A T E -B 136 0B 71 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.544 37.2-152.1 -67.7 115.6 -21.7 52.8 10.9 7 13 A a - 0 0 17 128,-1.7 -1,-0.2 -2,-0.5 129,-0.1 0.929 36.7-111.9 -54.1 -53.1 -21.9 49.2 12.3 8 14 A G > - 0 0 24 127,-0.5 3,-2.2 -3,-0.1 4,-0.3 -0.087 48.8 -52.3 120.8 138.1 -23.5 50.2 15.6 9 15 A A T 3 S- 0 0 60 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.122 120.9 -13.8 -45.7 117.9 -22.0 50.0 19.1 10 16 A N T 3 S+ 0 0 28 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.677 89.5 132.3 61.5 23.6 -20.5 46.6 19.7 11 17 A T S < S+ 0 0 90 -3,-2.2 -2,-0.1 1,-0.3 -1,-0.1 0.648 76.1 47.7 -75.9 -15.4 -22.2 44.9 16.8 12 18 A V S > S+ 0 0 4 -4,-0.3 3,-2.0 1,-0.1 -1,-0.3 -0.669 73.5 175.0-124.9 71.5 -18.8 43.4 15.8 13 19 A P T 3 S+ 0 0 32 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.581 74.7 56.1 -55.1 -17.1 -17.8 42.0 19.3 14 20 A Y T 3 S+ 0 0 24 86,-0.2 15,-2.1 88,-0.1 2,-0.3 0.529 81.2 108.5 -95.2 -8.8 -14.6 40.3 17.9 15 21 A Q E < -J 28 0C 5 -3,-2.0 36,-0.4 13,-0.2 37,-0.4 -0.535 50.6-171.1 -72.1 129.8 -13.2 43.5 16.4 16 22 A V E -J 27 0C 2 11,-2.5 11,-1.2 -2,-0.3 2,-0.5 -0.852 18.2-140.7-121.4 155.4 -10.2 44.9 18.3 17 23 A S E -JK 26 49C 1 32,-2.1 32,-2.6 -2,-0.3 2,-0.6 -0.974 14.2-144.2-114.7 128.3 -8.2 48.1 18.1 18 24 A L E -JK 25 48C 0 7,-3.1 6,-2.3 -2,-0.5 7,-0.9 -0.842 23.5-167.6 -93.3 126.4 -4.5 47.9 18.5 19 25 A N E +JK 23 47C 20 28,-2.9 28,-2.4 -2,-0.6 4,-0.2 -0.959 30.9 167.1-124.0 131.7 -3.2 51.0 20.4 20 26 A S S S- 0 0 29 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.306 97.8 -46.4-130.1 44.6 0.3 52.3 20.9 21 27 A G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.217 140.2 27.9 105.6 -7.6 -0.8 55.7 22.2 22 28 A Y S S- 0 0 129 -4,-0.0 -2,-2.1 0, 0.0 2,-0.3 -0.944 102.1 -80.1-171.4 158.2 -3.3 55.9 19.3 23 29 A H E +J 19 0C 37 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.544 52.5 156.5 -69.6 131.4 -5.2 53.4 17.1 24 30 A F E + 0 0 33 -6,-2.3 2,-0.3 1,-0.4 151,-0.2 0.516 58.4 3.2-133.0 -13.7 -3.0 52.1 14.4 25 31 A b E -J 18 0C 7 -7,-0.9 -7,-3.1 151,-0.1 -1,-0.4 -0.983 61.9-119.6-166.2 162.6 -4.5 48.8 13.3 26 32 A G E +J 17 0C 1 151,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.461 27.5 177.1-101.0 177.2 -7.3 46.4 13.7 27 33 A G E -J 16 0C 0 -11,-1.2 -11,-2.5 -2,-0.2 2,-0.4 -0.956 24.1-117.8-167.0 173.1 -7.3 42.8 14.9 28 34 A S E -JL 15 36C 1 8,-2.4 8,-2.8 -2,-0.3 2,-0.5 -0.993 18.8-131.1-130.3 132.7 -9.7 39.9 15.7 29 35 A L E + L 0 35C 0 -15,-2.1 74,-2.4 -2,-0.4 6,-0.2 -0.697 25.8 174.7 -80.7 121.4 -10.2 38.1 19.0 30 36 A I E - 0 0 20 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.627 68.3 -12.7-102.9 -17.0 -10.0 34.4 18.5 31 37 A N E > S- L 0 34C 53 3,-1.2 3,-1.0 70,-0.1 -1,-0.4 -0.939 89.0 -76.0-167.2 172.6 -10.2 33.3 22.1 32 38 A S T 3 S+ 0 0 36 -2,-0.3 62,-3.1 1,-0.2 60,-0.1 0.678 128.7 31.2 -55.5 -17.8 -9.9 34.9 25.6 33 39 A Q T 3 S+ 0 0 81 60,-0.2 57,-2.6 1,-0.1 2,-0.4 0.495 110.0 67.5-120.0 -3.1 -6.1 35.2 25.3 34 40 A W E < -LM 31 89C 5 -3,-1.0 -4,-2.5 55,-0.2 -3,-1.2 -0.956 47.2-171.3-132.1 142.8 -5.3 35.6 21.6 35 41 A V E -LM 29 88C 0 53,-2.5 53,-2.7 -2,-0.4 2,-0.4 -0.952 13.8-147.6-124.7 141.5 -5.7 38.2 18.8 36 42 A V E +LM 28 87C 0 -8,-2.8 -8,-2.4 -2,-0.4 2,-0.2 -0.922 32.2 147.7-108.5 132.4 -5.0 37.7 15.1 37 43 A S E - M 0 86C 0 49,-2.6 49,-2.4 -2,-0.4 2,-0.3 -0.751 49.8 -67.6-144.4-169.0 -3.8 40.7 13.1 38 44 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.712 32.8-133.2 -91.2 142.5 -1.6 41.5 10.1 39 45 A A G > S+ 0 0 2 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.829 106.3 63.3 -62.4 -31.5 2.2 41.1 10.4 40 46 A H G 3 S+ 0 0 68 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.552 93.5 64.6 -73.4 -0.8 2.8 44.5 8.9 41 47 A b G < S+ 0 0 4 -3,-1.7 -1,-0.3 2,-0.0 -2,-0.2 0.463 75.6 133.8 -94.1 -4.8 1.0 45.9 11.9 42 48 A Y < + 0 0 134 -3,-1.9 2,-0.3 -4,-0.2 -3,-0.0 -0.150 22.4 145.1 -50.8 137.1 3.8 44.6 14.1 43 49 A K - 0 0 56 3,-0.0 3,-0.3 0, 0.0 2,-0.2 -0.960 46.9-107.0-165.9 158.5 5.1 47.1 16.7 44 50 A S S S+ 0 0 97 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.554 96.2 35.8 -89.4 160.7 6.5 47.1 20.2 45 51 A G S S+ 0 0 62 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.915 76.8 173.9 64.9 47.3 4.3 48.4 23.1 46 52 A I - 0 0 8 -3,-0.3 21,-2.5 21,-0.1 2,-0.5 -0.715 17.5-166.8 -92.0 133.4 0.9 47.2 21.9 47 53 A Q E -KN 19 66C 51 -28,-2.4 -28,-2.9 -2,-0.4 2,-0.5 -0.983 16.5-140.7-116.7 125.6 -2.2 47.6 24.0 48 54 A V E -KN 18 65C 0 17,-3.1 17,-2.8 -2,-0.5 2,-0.6 -0.738 12.9-159.4 -88.1 129.3 -5.2 45.6 22.8 49 55 A R E -KN 17 64C 52 -32,-2.6 -32,-2.1 -2,-0.5 3,-0.3 -0.937 12.9-177.9-115.3 114.2 -8.5 47.5 23.2 50 56 A L E + N 0 63C 2 13,-3.0 13,-1.7 -2,-0.6 -34,-0.1 -0.659 59.9 32.7-106.4 162.4 -11.7 45.3 23.2 51 57 A G S S+ 0 0 5 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.750 85.3 155.7 65.8 25.7 -15.3 46.3 23.4 52 58 A E + 0 0 9 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.556 22.5 148.5 -89.4 146.3 -14.7 49.5 21.5 53 59 A D S S+ 0 0 12 1,-0.3 2,-0.9 4,-0.3 -1,-0.1 0.299 80.5 31.0-130.7 -80.3 -17.0 51.6 19.3 54 60 A N S > S- 0 0 28 80,-0.2 3,-1.4 3,-0.2 -1,-0.3 -0.739 73.0-161.2 -83.2 109.1 -15.9 55.2 19.6 55 61 A I T 3 S+ 0 0 29 78,-2.4 -1,-0.2 -2,-0.9 79,-0.1 0.550 86.0 53.3 -69.7 -5.3 -12.1 54.9 20.1 56 62 A N T 3 S+ 0 0 122 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.360 104.5 58.1-108.8 4.1 -11.8 58.4 21.4 57 63 A V S < S- 0 0 74 -3,-1.4 2,-0.9 76,-0.2 -4,-0.3 -0.996 78.0-129.6-136.9 130.1 -14.5 58.2 24.2 58 64 A V + 0 0 115 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.693 32.6 173.6 -78.5 109.5 -14.7 55.8 27.1 59 65 A E - 0 0 99 -2,-0.9 -1,-0.2 -5,-0.2 -7,-0.0 0.587 49.6-100.1 -96.5 -12.5 -18.2 54.5 26.7 60 66 A G S S+ 0 0 59 -9,-0.0 -2,-0.1 0, 0.0 -9,-0.0 0.276 103.4 75.7 117.6 -14.6 -18.2 51.8 29.4 61 67 A N + 0 0 56 -10,-0.3 2,-0.1 38,-0.0 -9,-0.0 0.275 67.6 120.0-114.4 12.9 -17.8 48.4 27.7 62 68 A E - 0 0 35 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.345 41.4-165.5 -80.2 157.8 -14.0 48.6 27.0 63 69 A Q E -N 50 0C 36 -13,-1.7 -13,-3.0 -2,-0.1 2,-0.6 -0.965 6.8-162.3-140.8 117.6 -11.2 46.3 28.1 64 70 A F E +N 49 0C 80 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.933 17.2 170.9-106.1 118.6 -7.7 47.5 27.7 65 71 A I E -N 48 0C 14 -17,-2.8 -17,-3.1 -2,-0.6 2,-0.1 -0.987 28.7-128.8-134.6 126.0 -5.1 44.8 27.9 66 72 A S E -N 47 0C 55 -2,-0.4 25,-2.8 -19,-0.3 26,-0.3 -0.388 29.0-113.7 -69.6 146.8 -1.4 45.0 27.2 67 73 A A E -O 90 0C 24 -21,-2.5 23,-0.3 23,-0.2 3,-0.1 -0.613 23.0-168.3 -80.1 140.0 0.1 42.4 24.8 68 74 A S E S+ 0 0 67 21,-2.9 2,-0.3 1,-0.3 22,-0.2 0.697 71.7 9.3 -99.1 -25.7 2.6 40.0 26.5 69 75 A K E -O 89 0C 87 20,-1.1 20,-2.8 2,-0.0 2,-0.4 -0.991 57.9-157.0-156.3 146.2 3.9 38.5 23.3 70 76 A S E -O 88 0C 44 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.979 7.0-167.7-124.7 137.8 3.8 39.0 19.5 71 77 A I E -O 87 0C 33 16,-3.0 16,-2.6 -2,-0.4 2,-0.2 -0.898 4.7-161.9-131.8 103.5 4.4 36.4 16.9 72 78 A V E -O 86 0C 49 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.599 43.3 -87.9 -79.4 142.2 4.9 37.4 13.3 73 79 A H > - 0 0 23 12,-2.2 3,-1.9 10,-0.3 -1,-0.1 -0.211 34.6-124.0 -51.4 137.2 4.4 34.5 10.8 74 80 A P T 3 S+ 0 0 98 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.821 109.8 42.2 -53.5 -33.2 7.8 32.7 10.3 75 81 A S T 3 S+ 0 0 74 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.203 79.0 142.2-102.2 15.2 7.5 33.3 6.5 76 82 A Y < - 0 0 55 -3,-1.9 2,-0.6 9,-0.1 7,-0.2 -0.362 31.9-164.8 -60.0 128.9 6.3 36.9 6.5 77 83 A N B >> -P 82 0D 65 5,-2.1 4,-2.5 1,-0.1 5,-0.6 -0.953 7.5-165.6-118.2 108.1 7.9 38.9 3.7 78 84 A S T 45S+ 0 0 78 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.726 85.3 61.6 -66.6 -21.9 7.4 42.6 4.2 79 85 A N T 45S+ 0 0 147 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.924 123.7 16.6 -69.9 -44.0 8.4 43.4 0.6 80 86 A T T 45S- 0 0 76 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.547 96.8-128.3-104.5 -13.5 5.6 41.4 -0.9 81 87 A L T ><5 + 0 0 31 -4,-2.5 3,-0.8 1,-0.3 2,-0.2 0.663 50.2 160.0 69.2 19.4 3.3 41.1 2.1 82 88 A N B 3 < +P 77 0D 37 -5,-0.6 -5,-2.1 1,-0.3 -1,-0.3 -0.548 67.7 17.1 -71.7 137.2 3.1 37.3 1.6 83 89 A N T 3 S+ 0 0 16 -2,-0.2 2,-2.1 -7,-0.2 -10,-0.3 0.904 80.7 178.8 65.2 45.1 2.1 35.6 4.8 84 90 A D < + 0 0 1 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.496 35.1 112.9 -80.8 75.4 0.8 38.9 6.3 85 91 A I + 0 0 0 -2,-2.1 -12,-2.2 -47,-0.3 2,-0.3 -0.997 37.1 177.4-148.1 144.5 -0.4 37.5 9.6 86 92 A M E -MO 37 72C 0 -49,-2.4 -49,-2.6 -2,-0.3 2,-0.4 -0.990 19.2-138.1-147.4 150.2 0.6 37.8 13.3 87 93 A L E -MO 36 71C 0 -16,-2.6 -16,-3.0 -2,-0.3 2,-0.4 -0.897 13.4-163.4-111.9 143.1 -0.6 36.5 16.6 88 94 A I E -MO 35 70C 0 -53,-2.7 -53,-2.5 -2,-0.4 2,-0.4 -0.992 6.7-151.4-128.2 124.9 -0.8 38.7 19.8 89 95 A K E -MO 34 69C 31 -20,-2.8 -21,-2.9 -2,-0.4 -20,-1.1 -0.804 17.2-128.8 -98.3 136.7 -1.1 37.2 23.3 90 96 A L E - 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