==== 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 03-MAR-06 2G8T . 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) . 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 . 73 32.7 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 . 4 1.8 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 . 21 9.4 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 . 5 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 7 A I 0 0 2 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 122.8 -13.6 51.8 5.3 2 8 A V B +A 171 0A 8 169,-3.2 169,-2.1 1,-0.2 123,-0.1 -0.871 360.0 7.0-105.1 133.7 -14.7 53.7 2.2 3 9 A G S S+ 0 0 41 121,-0.6 -1,-0.2 -2,-0.4 169,-0.1 0.674 104.6 118.2 74.3 16.2 -18.3 53.5 1.0 4 10 A G - 0 0 33 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.027 56.9-118.3 -95.2-154.5 -19.3 51.6 4.1 5 11 A Y E -B 137 0B 107 132,-2.3 132,-3.5 -3,-0.1 2,-0.5 -0.962 33.8 -83.6-147.5 160.9 -21.7 52.4 6.9 6 12 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.569 38.0-151.7 -69.1 117.5 -21.7 52.8 10.7 7 13 A a - 0 0 17 128,-1.8 -1,-0.2 -2,-0.5 129,-0.1 0.924 36.9-109.8 -55.6 -52.4 -21.9 49.3 12.1 8 14 A G > - 0 0 25 127,-0.5 3,-2.0 -3,-0.1 4,-0.3 -0.092 49.7 -55.8 121.0 137.4 -23.6 50.2 15.3 9 15 A A T 3 S- 0 0 59 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.165 119.2 -12.6 -49.1 120.1 -22.0 50.0 18.8 10 16 A N T 3 S+ 0 0 26 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.687 89.6 131.0 61.6 24.4 -20.5 46.6 19.5 11 17 A T S < S+ 0 0 91 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.563 75.9 47.8 -80.7 -8.7 -22.2 44.9 16.6 12 18 A V S > S+ 0 0 4 -4,-0.3 3,-2.0 87,-0.1 -1,-0.3 -0.671 73.8 174.7-129.9 71.2 -18.8 43.4 15.7 13 19 A P T 3 S+ 0 0 32 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.564 73.6 57.2 -57.5 -15.0 -17.8 42.1 19.1 14 20 A Y T 3 S+ 0 0 23 86,-0.2 15,-2.3 88,-0.1 2,-0.3 0.511 81.1 108.4 -95.0 -7.8 -14.6 40.4 17.9 15 21 A Q E < -J 28 0C 5 -3,-2.0 37,-0.4 13,-0.2 36,-0.4 -0.542 50.3-172.0 -73.0 130.0 -13.2 43.6 16.4 16 22 A V E -J 27 0C 2 11,-2.4 11,-1.1 -2,-0.3 2,-0.5 -0.852 18.7-139.9-122.6 157.4 -10.3 45.0 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 14.4-143.5-115.6 128.8 -8.3 48.2 18.1 18 24 A L E -JK 25 48C 0 7,-3.1 6,-2.3 -2,-0.5 7,-0.9 -0.844 23.3-167.6 -93.5 125.8 -4.5 48.1 18.5 19 25 A N E +JK 23 47C 22 28,-2.9 28,-2.4 -2,-0.6 4,-0.2 -0.957 30.2 166.3-122.9 130.9 -3.3 51.1 20.4 20 26 A S S S- 0 0 28 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.286 97.5 -46.8-129.9 44.0 0.2 52.5 20.9 21 27 A G S S+ 0 0 68 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.211 140.3 26.7 106.2 -8.3 -0.8 55.9 22.2 22 28 A Y S S- 0 0 130 -4,-0.0 -2,-2.2 0, 0.0 2,-0.3 -0.937 102.6 -79.9-170.9 159.8 -3.3 56.1 19.3 23 29 A H E +J 19 0C 38 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.572 51.5 157.5 -72.4 131.3 -5.2 53.6 17.1 24 30 A F E + 0 0 34 -6,-2.3 2,-0.3 1,-0.4 151,-0.2 0.531 58.6 3.0-131.1 -13.3 -2.9 52.2 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 61.7-120.1-166.6 161.8 -4.5 48.9 13.3 26 32 A G E +J 17 0C 1 151,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.436 27.9 178.1 -99.6 179.6 -7.4 46.5 13.7 27 33 A G E -J 16 0C 0 -11,-1.1 -11,-2.4 -2,-0.2 2,-0.4 -0.957 23.7-117.1-168.8 173.5 -7.4 42.9 14.9 28 34 A S E -JL 15 36C 1 8,-2.4 8,-2.9 -2,-0.3 2,-0.5 -0.994 19.0-131.2-131.2 131.9 -9.7 40.0 15.7 29 35 A L E + L 0 35C 0 -15,-2.3 74,-2.5 -2,-0.4 6,-0.2 -0.681 25.4 174.5 -79.9 123.0 -10.2 38.3 19.0 30 36 A I E - 0 0 22 4,-2.5 2,-0.3 -2,-0.5 5,-0.2 0.591 68.5 -14.2-105.4 -14.4 -10.0 34.5 18.5 31 37 A N E > S- L 0 34C 53 3,-1.2 3,-0.7 70,-0.1 -1,-0.4 -0.937 88.0 -75.8-168.9 175.7 -10.2 33.5 22.2 32 38 A S T 3 S+ 0 0 33 -2,-0.3 62,-3.0 1,-0.2 60,-0.1 0.697 128.8 32.4 -59.2 -18.2 -9.9 35.2 25.6 33 39 A Q T 3 S+ 0 0 82 60,-0.2 57,-2.5 1,-0.1 2,-0.4 0.526 110.3 65.9-116.8 -5.9 -6.1 35.4 25.4 34 40 A W E < -LM 31 89C 5 -3,-0.7 -4,-2.5 55,-0.2 -3,-1.2 -0.951 46.9-171.8-132.0 144.1 -5.3 35.8 21.7 35 41 A V E -LM 29 88C 0 53,-2.5 53,-2.6 -2,-0.4 2,-0.4 -0.955 14.3-147.0-125.9 141.2 -5.8 38.3 18.9 36 42 A V E +LM 28 87C 1 -8,-2.9 -8,-2.4 -2,-0.4 2,-0.2 -0.918 32.3 147.3-108.5 133.5 -5.0 37.9 15.2 37 43 A S E - M 0 86C 0 49,-2.6 49,-2.4 -2,-0.4 2,-0.3 -0.779 49.6 -66.2-146.1-170.3 -3.8 40.8 13.1 38 44 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.671 32.9-133.7 -88.8 142.9 -1.5 41.7 10.2 39 45 A A G > S+ 0 0 2 -2,-0.3 3,-2.0 1,-0.3 -1,-0.1 0.842 106.2 63.6 -62.7 -32.0 2.2 41.2 10.4 40 46 A H G 3 S+ 0 0 70 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.549 93.4 64.4 -72.8 -0.6 2.8 44.6 8.9 41 47 A b G < S+ 0 0 4 -3,-1.7 -1,-0.3 2,-0.0 -2,-0.2 0.429 76.0 131.9 -95.3 -2.5 1.0 46.0 12.0 42 48 A Y < + 0 0 129 -3,-2.0 2,-0.3 -4,-0.1 -3,-0.0 -0.212 22.7 138.9 -55.6 139.0 3.8 44.7 14.2 43 49 A K - 0 0 63 3,-0.0 3,-0.3 0, 0.0 2,-0.2 -0.952 49.7 -99.4-169.7 162.5 5.3 47.2 16.8 44 50 A S S S+ 0 0 90 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.499 96.5 35.4 -88.3 163.6 6.4 47.2 20.4 45 51 A G S S+ 0 0 67 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.911 75.9 175.1 61.6 48.7 4.2 48.5 23.2 46 52 A I - 0 0 9 -3,-0.3 21,-2.6 21,-0.1 2,-0.5 -0.714 16.9-166.0 -91.4 132.7 0.9 47.3 21.9 47 53 A Q E -KN 19 66C 50 -28,-2.4 -28,-2.9 -2,-0.4 2,-0.4 -0.977 15.8-141.1-115.5 124.5 -2.3 47.8 24.0 48 54 A V E -KN 18 65C 0 17,-3.1 17,-2.8 -2,-0.5 2,-0.6 -0.725 12.9-159.7 -87.0 129.7 -5.3 45.8 22.8 49 55 A R E -KN 17 64C 50 -32,-2.6 -32,-2.1 -2,-0.4 3,-0.3 -0.939 12.8-178.1-116.0 114.2 -8.6 47.6 23.1 50 56 A L E + N 0 63C 2 13,-2.9 13,-1.7 -2,-0.6 -34,-0.1 -0.660 59.5 32.5-107.2 162.1 -11.8 45.5 23.1 51 57 A G S S+ 0 0 6 -36,-0.4 10,-0.3 48,-0.3 2,-0.2 0.743 85.3 157.4 65.9 25.5 -15.4 46.4 23.3 52 58 A E + 0 0 9 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.538 23.1 147.5 -87.9 144.7 -14.8 49.5 21.3 53 59 A D S S+ 0 0 12 1,-0.3 2,-1.0 4,-0.3 -1,-0.1 0.285 80.9 30.8-129.8 -82.8 -17.1 51.7 19.2 54 60 A N S > S- 0 0 29 80,-0.2 3,-1.3 1,-0.2 -1,-0.3 -0.701 73.6-162.1 -80.3 108.3 -16.0 55.3 19.4 55 61 A I T 3 S+ 0 0 29 78,-2.7 -1,-0.2 -2,-1.0 79,-0.1 0.552 84.6 54.5 -70.7 -5.0 -12.3 54.9 19.9 56 62 A N T 3 S+ 0 0 123 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.448 105.1 56.3-104.4 -1.9 -11.9 58.5 21.2 57 63 A V S < S- 0 0 74 -3,-1.3 2,-0.8 76,-0.2 -4,-0.3 -0.993 78.8-127.8-134.5 130.1 -14.5 58.3 24.0 58 64 A V + 0 0 109 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.656 32.8 173.7 -76.1 111.2 -14.7 55.8 26.9 59 65 A E - 0 0 101 -2,-0.8 -1,-0.2 -5,-0.2 -4,-0.0 0.600 50.1 -99.3 -96.6 -14.3 -18.3 54.6 26.5 60 66 A G S S+ 0 0 58 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.266 103.9 74.8 120.0 -15.4 -18.4 51.9 29.2 61 67 A N + 0 0 56 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.264 68.6 119.4-114.0 13.1 -17.9 48.5 27.6 62 68 A E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.346 42.5-163.9 -81.3 158.1 -14.2 48.7 26.8 63 69 A Q E -N 50 0C 35 -13,-1.7 -13,-2.9 -2,-0.1 2,-0.6 -0.973 6.3-162.0-139.7 119.3 -11.4 46.5 28.1 64 70 A F E +N 49 0C 79 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.939 18.3 170.3-107.1 115.7 -7.8 47.8 27.7 65 71 A I E -N 48 0C 14 -17,-2.8 -17,-3.1 -2,-0.6 2,-0.1 -0.988 28.7-129.4-133.1 126.9 -5.2 45.0 28.0 66 72 A S E -N 47 0C 58 -2,-0.4 25,-2.9 -19,-0.3 26,-0.3 -0.388 28.5-113.6 -70.7 148.0 -1.5 45.2 27.2 67 73 A A E -O 90 0C 24 -21,-2.6 23,-0.3 23,-0.2 3,-0.1 -0.609 21.9-167.3 -80.8 141.4 0.0 42.6 24.9 68 74 A S E S+ 0 0 63 21,-2.8 2,-0.3 1,-0.4 22,-0.2 0.684 72.1 3.7-100.0 -24.0 2.5 40.3 26.6 69 75 A K E -O 89 0C 93 20,-1.0 20,-2.8 2,-0.0 2,-0.4 -0.983 57.9-154.6-160.7 148.8 3.9 38.8 23.4 70 76 A S E -O 88 0C 37 -2,-0.3 2,-0.5 18,-0.2 18,-0.2 -0.982 7.0-165.1-127.6 140.0 3.7 39.2 19.6 71 77 A I E -O 87 0C 33 16,-3.1 16,-2.6 -2,-0.4 2,-0.3 -0.914 4.4-161.4-131.8 106.0 4.4 36.5 17.1 72 78 A V E -O 86 0C 49 -2,-0.5 14,-0.2 14,-0.2 12,-0.1 -0.611 41.6 -90.1 -82.1 143.0 4.9 37.5 13.5 73 79 A H > - 0 0 23 12,-2.2 3,-1.9 -2,-0.3 -1,-0.1 -0.268 33.1-127.2 -54.0 134.9 4.5 34.6 11.0 74 80 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.795 108.1 45.0 -55.2 -30.2 7.9 33.0 10.4 75 81 A S T 3 S+ 0 0 72 8,-0.1 -2,-0.1 2,-0.1 7,-0.1 0.290 78.7 138.2 -99.2 9.3 7.6 33.4 6.6 76 82 A Y < - 0 0 55 -3,-1.9 2,-0.6 9,-0.1 7,-0.2 -0.332 36.1-162.2 -57.8 128.8 6.3 37.0 6.6 77 83 A N B >> -P 82 0D 71 5,-2.1 4,-2.4 1,-0.1 5,-0.6 -0.956 7.0-163.6-116.6 110.7 7.9 39.0 3.8 78 84 A S T 45S+ 0 0 81 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.717 86.1 59.5 -67.6 -21.6 7.6 42.7 4.4 79 85 A N T 45S+ 0 0 151 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.909 124.4 17.5 -72.4 -41.8 8.5 43.6 0.7 80 86 A T T 45S- 0 0 74 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.1 0.546 96.2-128.3-105.8 -13.2 5.6 41.6 -0.8 81 87 A L T ><5 + 0 0 30 -4,-2.4 3,-0.9 1,-0.3 2,-0.2 0.662 49.7 160.5 69.1 18.6 3.4 41.2 2.3 82 88 A N B 3 < +P 77 0D 37 -5,-0.6 -5,-2.1 1,-0.3 -1,-0.3 -0.554 68.5 16.7 -71.0 134.9 3.2 37.5 1.7 83 89 A N T 3 S+ 0 0 16 -2,-0.2 2,-2.1 -7,-0.2 -1,-0.3 0.906 80.9 179.2 67.2 45.2 2.1 35.8 4.9 84 90 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.486 35.2 112.9 -80.4 75.2 0.8 39.0 6.4 85 91 A I + 0 0 0 -2,-2.1 -12,-2.2 -47,-0.3 2,-0.3 -0.998 36.4 176.0-148.3 145.3 -0.4 37.6 9.7 86 92 A M E -MO 37 72C 0 -49,-2.4 -49,-2.6 -2,-0.3 2,-0.4 -0.988 20.3-136.6-148.4 152.4 0.6 37.9 13.4 87 93 A L E -MO 36 71C 0 -16,-2.6 -16,-3.1 -2,-0.3 2,-0.4 -0.902 14.2-164.0-112.5 142.1 -0.6 36.7 16.7 88 94 A I E -MO 35 70C 0 -53,-2.6 -53,-2.5 -2,-0.4 2,-0.4 -0.993 7.4-150.8-128.1 126.2 -0.8 38.9 19.8 89 95 A K E -MO 34 69C 28 -20,-2.8 -21,-2.8 -2,-0.4 -20,-1.0 -0.812 16.4-128.5 -99.5 137.2 -1.2 37.4 23.3 90 96 A L E - 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