==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-JUL-11 3T29 . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.CAHN,M.VENKAT,H.MARSHALL,D.JUERS . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9196.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 61.4 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 . 14 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 22 9.9 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 . 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 16 A I 0 0 3 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 122.3 51.9 14.7 48.0 2 17 A V B +A 171 0A 10 169,-3.1 169,-1.7 1,-0.2 123,-0.1 -0.859 360.0 5.7-102.9 134.7 54.1 14.8 51.1 3 18 A G S S+ 0 0 45 121,-0.5 -1,-0.2 -2,-0.4 169,-0.1 0.703 104.3 116.9 69.1 18.3 55.9 11.7 52.3 4 19 A G - 0 0 33 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.011 57.8-114.4 -95.7-153.9 54.8 9.7 49.3 5 20 A Y E -B 137 0B 90 132,-2.4 132,-3.0 -3,-0.1 2,-0.5 -0.940 33.8 -84.3-143.5 159.8 56.6 7.9 46.4 6 21 A T E -B 136 0B 75 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.600 38.6-150.6 -67.0 119.4 57.0 8.2 42.7 7 22 A a - 0 0 18 128,-2.1 -1,-0.2 -2,-0.5 129,-0.1 0.893 34.8-113.6 -59.9 -45.6 54.0 6.2 41.3 8 23 A G > - 0 0 26 127,-0.5 3,-2.0 -3,-0.1 4,-0.3 0.044 48.5 -56.3 107.8 136.4 55.6 5.1 38.1 9 24 A A T 3 S- 0 0 56 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.182 118.2 -10.9 -51.6 124.4 54.5 6.2 34.6 10 25 A N T 3 S+ 0 0 28 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.597 90.4 127.2 62.4 20.5 50.8 5.6 33.9 11 26 A T S < S+ 0 0 81 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.625 76.7 47.3 -77.7 -14.5 50.3 3.3 37.0 12 27 A V S > S+ 0 0 6 -4,-0.3 3,-1.8 1,-0.1 -1,-0.3 -0.724 74.5 173.4-121.9 76.4 47.3 5.6 37.9 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.593 72.0 56.6 -73.2 -11.0 45.6 5.7 34.5 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.4 88,-0.1 2,-0.3 0.499 82.7 110.2 -91.8 -8.1 42.4 7.6 35.7 15 30 A Q E < -J 28 0C 4 -3,-1.8 36,-0.4 13,-0.2 37,-0.4 -0.538 49.6-174.0 -69.6 126.8 44.6 10.5 37.1 16 31 A V E -J 27 0C 1 11,-2.5 11,-1.2 -2,-0.3 2,-0.5 -0.860 20.3-139.5-118.2 157.5 44.2 13.7 35.1 17 32 A S E -JK 26 49C 0 32,-2.5 32,-3.1 -2,-0.3 2,-0.5 -0.968 13.6-145.3-109.1 131.2 46.0 17.1 35.2 18 33 A L E -JK 25 48C 0 7,-2.9 6,-2.6 -2,-0.5 7,-1.0 -0.865 24.5-170.5 -96.1 127.9 43.8 20.2 34.7 19 34 A N E +JK 23 47C 18 28,-2.8 28,-2.9 -2,-0.5 4,-0.2 -0.972 31.4 170.7-125.8 133.2 45.9 22.7 32.8 20 37 A S S S- 0 0 34 2,-2.0 3,-0.1 -2,-0.4 26,-0.1 -0.357 98.2 -46.7-129.1 46.5 45.3 26.5 32.0 21 38 A G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.218 141.0 30.8 104.8 -11.0 48.8 27.0 30.6 22 39 A Y S S- 0 0 135 -4,-0.0 -2,-2.0 0, 0.0 2,-0.2 -0.929 102.2 -83.1-164.0 156.2 50.2 25.2 33.6 23 40 A H E +J 19 0C 35 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.520 50.7 158.4 -65.6 135.1 49.0 22.4 35.9 24 41 A F E + 0 0 34 -6,-2.6 2,-0.3 1,-0.4 151,-0.2 0.532 57.5 5.0-133.7 -11.6 46.8 23.7 38.7 25 42 A b E -J 18 0C 7 -7,-1.0 -7,-2.9 151,-0.1 -1,-0.4 -0.975 61.3-121.5-165.0 153.0 44.6 20.7 39.9 26 43 A G E +J 17 0C 0 151,-2.7 12,-0.4 -2,-0.3 2,-0.3 -0.409 27.5 174.7 -87.6 176.5 44.1 17.0 39.6 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.5 10,-0.1 2,-0.4 -0.957 25.2-115.7-164.5 178.4 40.9 15.2 38.6 28 45 A S E -JL 15 36C 0 8,-2.4 8,-2.8 -2,-0.3 2,-0.6 -0.989 19.2-128.5-130.3 135.1 39.7 11.6 37.9 29 46 A L E + L 0 35C 1 -15,-2.4 74,-2.2 -2,-0.4 6,-0.2 -0.690 28.3 173.4 -81.1 116.6 38.4 10.2 34.6 30 47 A I E - 0 0 18 4,-2.4 2,-0.3 -2,-0.6 5,-0.2 0.688 68.6 -9.7-102.3 -22.5 35.0 8.5 35.4 31 48 A N E > S- L 0 34C 51 3,-1.4 3,-1.1 70,-0.1 -1,-0.3 -0.934 87.9 -81.7-154.8 179.3 34.1 7.7 31.8 32 49 A S T 3 S+ 0 0 33 -2,-0.3 62,-2.9 1,-0.2 60,-0.1 0.709 127.7 34.6 -59.3 -18.7 35.4 8.6 28.4 33 50 A Q T 3 S+ 0 0 81 60,-0.2 57,-2.6 1,-0.1 2,-0.4 0.468 110.9 64.6-112.0 -4.1 33.6 11.9 28.4 34 51 A W E < -LM 31 89C 7 -3,-1.1 -4,-2.4 55,-0.2 -3,-1.4 -0.982 47.5-170.3-138.5 139.6 33.7 13.1 32.0 35 52 A V E -LM 29 88C 0 53,-2.8 53,-2.6 -2,-0.4 2,-0.4 -0.934 13.8-148.9-120.0 138.3 36.1 14.1 34.7 36 53 A V E +LM 28 87C 0 -8,-2.8 -8,-2.4 -2,-0.4 2,-0.2 -0.908 31.0 150.4-103.7 137.0 35.3 14.7 38.4 37 54 A S E - M 0 86C 0 49,-2.9 49,-2.2 -2,-0.4 2,-0.4 -0.743 49.0 -68.6-142.9-168.1 37.4 17.3 40.3 38 55 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.739 32.7-131.9 -90.2 139.2 37.0 19.7 43.3 39 56 A A G > S+ 0 0 2 -2,-0.4 3,-1.9 1,-0.3 -1,-0.1 0.811 108.2 65.4 -53.9 -33.4 34.6 22.7 43.0 40 57 A H G 3 S+ 0 0 64 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.645 92.5 62.3 -68.7 -10.6 37.5 24.8 44.4 41 58 A b G < S+ 0 0 4 -3,-1.8 -1,-0.3 -15,-0.1 -2,-0.2 0.467 78.4 132.3 -86.4 -3.2 39.4 24.0 41.2 42 59 A Y < + 0 0 122 -3,-1.9 2,-0.3 -4,-0.1 -3,-0.0 -0.207 19.8 135.3 -55.8 133.3 36.8 25.7 39.1 43 60 A K - 0 0 56 0, 0.0 3,-0.3 0, 0.0 2,-0.2 -0.943 52.2-101.6-158.5 169.9 38.0 28.2 36.4 44 61 A S S S+ 0 0 104 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.514 97.2 39.6 -85.3 160.0 37.2 29.0 32.8 45 62 A G S S+ 0 0 65 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.885 74.0 171.8 71.8 41.8 39.6 27.7 30.0 46 63 A I - 0 0 9 -3,-0.3 21,-2.6 -26,-0.1 2,-0.5 -0.675 18.2-164.8 -85.6 132.1 40.4 24.3 31.4 47 64 A Q E -KN 19 66C 50 -28,-2.9 -28,-2.8 -2,-0.4 2,-0.5 -0.975 16.9-139.6-108.2 130.1 42.4 21.7 29.2 48 65 A V E -KN 18 65C 0 17,-3.3 17,-2.8 -2,-0.5 2,-0.6 -0.761 12.4-157.9 -89.8 126.3 42.2 18.2 30.5 49 66 A R E -KN 17 64C 48 -32,-3.1 -32,-2.5 -2,-0.5 3,-0.3 -0.923 13.6-176.5-112.1 113.2 45.5 16.3 30.3 50 67 A L E + N 0 63C 2 13,-3.1 13,-2.1 -2,-0.6 -34,-0.1 -0.693 61.0 27.4-106.5 153.4 45.2 12.5 30.3 51 69 A G S S+ 0 0 5 -36,-0.4 10,-0.3 -38,-0.3 2,-0.3 0.671 84.9 157.5 67.1 25.1 48.0 9.8 30.3 52 70 A E + 0 0 10 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.563 21.0 150.6 -81.2 136.6 50.4 12.2 32.0 53 71 A D S S+ 0 0 13 1,-0.4 2,-0.7 4,-0.3 -1,-0.2 0.394 80.2 28.6-115.3 -78.3 53.4 11.2 34.0 54 72 A N S > S- 0 0 27 80,-0.2 3,-1.2 1,-0.1 -1,-0.4 -0.710 72.8-160.1 -78.6 116.0 56.0 14.0 33.7 55 73 A I T 3 S+ 0 0 28 78,-2.7 -1,-0.1 -2,-0.7 79,-0.1 0.546 87.5 53.5 -77.6 -4.6 53.8 17.1 33.1 56 74 A N T 3 S+ 0 0 119 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.285 104.6 57.8-107.9 2.9 56.7 19.0 31.7 57 75 A V S < S- 0 0 75 -3,-1.2 2,-0.9 76,-0.2 -4,-0.3 -0.999 77.1-130.9-136.0 133.3 57.7 16.5 29.0 58 76 A V + 0 0 113 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.759 31.7 173.9 -82.4 112.0 55.7 15.1 26.2 59 77 A E - 0 0 94 -2,-0.9 -1,-0.2 -5,-0.2 -7,-0.0 0.548 50.4-102.9-104.5 -12.6 56.4 11.4 26.6 60 78 A G S S+ 0 0 59 -3,-0.1 -2,-0.1 -9,-0.0 -8,-0.1 0.257 102.5 80.2 116.8 -8.8 54.0 10.0 24.0 61 79 A N + 0 0 59 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.361 66.9 116.5-105.7 6.0 51.0 8.7 25.9 62 80 A E - 0 0 32 -13,-0.0 2,-0.4 -11,-0.0 -11,-0.2 -0.365 43.6-164.4 -78.5 151.0 49.1 12.0 26.6 63 81 A Q E -N 50 0C 35 -13,-2.1 -13,-3.1 -2,-0.1 2,-0.6 -0.998 7.3-161.9-126.6 127.2 45.8 13.2 25.4 64 82 A F E +N 49 0C 78 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.956 17.9 170.6-109.0 118.2 45.1 16.9 25.7 65 83 A I E -N 48 0C 14 -17,-2.8 -17,-3.3 -2,-0.6 -2,-0.1 -0.985 27.6-130.2-135.2 124.1 41.3 17.7 25.5 66 84 A S E -N 47 0C 50 -2,-0.4 25,-2.6 -19,-0.3 2,-0.3 -0.339 29.4-109.4 -66.6 149.3 39.6 21.0 26.2 67 85 A A E -O 90 0C 20 -21,-2.6 23,-0.2 23,-0.2 3,-0.1 -0.613 23.5-169.5 -75.6 138.6 36.6 21.2 28.5 68 86 A S E S+ 0 0 68 21,-2.6 2,-0.3 1,-0.3 22,-0.2 0.720 74.6 7.5 -91.2 -26.0 33.2 21.9 26.8 69 87 A K E -O 89 0C 89 20,-1.0 20,-2.5 2,-0.0 2,-0.4 -0.993 57.7-156.3-158.3 139.6 31.4 22.4 30.1 70 88 A S E -O 88 0C 41 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.969 8.8-169.0-114.5 144.1 32.1 22.7 33.8 71 89 A I E -O 87 0C 35 16,-3.0 16,-2.5 -2,-0.4 2,-0.2 -0.874 4.6-162.8-135.5 99.5 29.4 22.0 36.4 72 90 A V E -O 86 0C 46 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.536 45.1 -85.4 -70.7 146.6 30.2 23.0 40.0 73 91 A H > - 0 0 23 12,-2.1 3,-1.8 10,-0.3 -1,-0.1 -0.229 36.9-121.6 -56.0 141.1 27.9 21.3 42.5 74 92 A P T 3 S+ 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.825 110.5 39.1 -58.0 -26.3 24.6 23.2 42.9 75 93 A S T 3 S+ 0 0 72 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.121 77.7 145.6-113.8 21.1 25.3 23.6 46.6 76 94 A Y < - 0 0 56 -3,-1.8 2,-0.6 9,-0.1 7,-0.2 -0.377 30.9-162.6 -61.2 131.3 29.0 24.2 46.7 77 95 A N B >> -P 82 0D 63 5,-2.2 4,-2.3 1,-0.1 5,-0.5 -0.945 8.7-166.2-119.6 108.4 29.9 26.6 49.5 78 96 A S T 45S+ 0 0 80 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.665 86.4 59.6 -69.1 -19.0 33.4 28.1 49.0 79 97 A N T 45S+ 0 0 149 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.905 123.7 18.7 -75.1 -41.5 33.4 29.4 52.6 80 98 A T T 45S- 0 0 73 -3,-0.3 -2,-0.2 2,-0.1 77,-0.1 0.570 96.4-128.5-104.4 -13.2 33.0 26.0 54.2 81 99 A L T ><5 + 0 0 33 -4,-2.3 3,-0.8 1,-0.3 -3,-0.2 0.578 52.1 158.0 64.1 13.7 34.1 23.8 51.3 82 100 A N B 3 < +P 77 0D 37 -5,-0.5 -5,-2.2 1,-0.2 -1,-0.3 -0.486 67.0 16.0 -63.6 137.7 30.9 21.8 51.7 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-1.9 1,-0.2 -10,-0.3 0.898 79.4 177.0 64.6 44.1 30.0 20.0 48.4 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 123,-0.2 -0.543 36.2 110.6 -82.9 76.4 33.5 20.5 47.0 85 103 A I + 0 0 0 -2,-1.9 -12,-2.1 -47,-0.3 2,-0.3 -0.991 38.7 178.6-150.1 144.0 32.9 18.6 43.8 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.9 -2,-0.3 2,-0.4 -0.986 19.2-137.8-147.4 149.6 32.6 19.6 40.1 87 105 A L E -MO 36 71C 0 -16,-2.5 -16,-3.0 -2,-0.3 2,-0.4 -0.863 13.7-164.4-108.3 142.5 32.1 17.7 36.8 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.8 -2,-0.4 2,-0.4 -0.995 7.9-150.3-129.0 124.7 34.0 18.6 33.7 89 107 A K E -MO 34 69C 43 -20,-2.5 -21,-2.6 -2,-0.4 -20,-1.0 -0.794 17.1-128.0-100.7 137.4 32.9 17.3 30.2 90 108 A L E - O 0 67C 3 -57,-2.6 -23,-0.2 -2,-0.4 -24,-0.1 -0.650 9.9-133.0 -85.4 134.9 35.5 16.7 27.5 91 109 A K S S+ 0 0 146 -25,-2.6 2,-0.3 -2,-0.3 -1,-0.1 0.782 97.1 16.1 -54.3 -34.0 35.0 18.3 24.1 92 110 A S S S- 0 0 68 -26,-0.3 -1,-0.1 -60,-0.1 2,-0.1 -0.977 99.1 -92.5-137.0 154.9 35.7 14.9 22.6 93 111 A A - 0 0 52 -2,-0.3 -60,-0.2 1,-0.1 2,-0.1 -0.355 41.3-116.7 -66.4 138.7 35.8 11.5 24.1 94 112 A A - 0 0 6 -62,-2.9 2,-0.6 -63,-0.1 -1,-0.1 -0.477 28.1-114.1 -64.6 145.6 39.2 10.3 25.5 95 113 A S - 0 0 76 -2,-0.1 2,-0.3 6,-0.0 -1,-0.1 -0.759 33.9-137.4 -81.8 118.9 40.6 7.2 23.8 96 114 A L + 0 0 96 -2,-0.6 2,-0.3 3,-0.1 5,-0.2 -0.612 42.6 132.2 -84.2 137.3 40.6 4.5 26.4 97 115 A N B > S-Q 100 0E 76 3,-2.3 3,-0.8 -2,-0.3 0, 0.0 -0.873 71.3 -63.5-160.4-171.6 43.7 2.3 26.7 98 116 A S T 3 S+ 0 0 101 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.853 132.9 39.0 -52.8 -38.4 46.0 0.8 29.2 99 117 A R T 3 S+ 0 0 110 1,-0.2 2,-0.4 -87,-0.1 -48,-0.3 0.486 117.4 48.9 -97.7 -8.5 47.3 4.3 30.2 100 118 A V B < S+Q 97 0E 1 -3,-0.8 -3,-2.3 -50,-0.1 2,-0.3 -0.920 75.7 147.8-133.3 104.5 44.1 6.2 30.0 101 119 A A - 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