==== 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 16-MAY-06 2CMY . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR R.CONNERS,J.L.YARDLEY,A.KONAREV,P.SHEWRY,R.L.BRADY . 244 3 8 6 2 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10359.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 153 62.7 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 . 70 28.7 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 1.6 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 . 17 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 27 11.1 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 1 1 0 1 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 . 4 2 3 4 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 1 1 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 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,-0.5 0, 0.0 171,-0.2 0.000 360.0 360.0 360.0 119.7 11.3 -5.0 7.5 2 17 A V B +A 171 0A 9 169,-2.9 169,-1.9 1,-0.2 123,-0.1 -0.897 360.0 7.4-107.4 126.6 7.7 -5.0 6.3 3 18 A G S S+ 0 0 49 -2,-0.5 -1,-0.2 121,-0.4 169,-0.1 0.596 103.0 115.0 80.0 11.3 6.8 -7.2 3.3 4 19 A G - 0 0 31 -3,-0.2 2,-0.3 167,-0.2 134,-0.2 0.059 57.7-117.6 -89.5-154.3 10.2 -8.8 3.1 5 20 A Y E -B 137 0B 103 132,-2.5 132,-2.3 -3,-0.1 2,-0.5 -0.964 33.3 -77.8-145.4 162.7 11.2 -12.5 3.7 6 21 A T E -B 136 0B 77 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.527 39.5-154.1 -63.6 118.2 13.3 -14.7 6.0 7 22 A a - 0 0 17 128,-1.8 -1,-0.2 -2,-0.5 129,-0.1 0.868 35.4-115.7 -57.0 -41.1 16.9 -14.2 4.7 8 23 A G > - 0 0 26 127,-0.4 3,-1.5 -3,-0.1 4,-0.3 -0.009 47.2 -54.0 94.7 144.4 18.1 -17.6 5.9 9 24 A A T 3 S- 0 0 57 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.291 117.9 -12.9 -59.4 117.5 20.8 -18.2 8.6 10 25 A N T 3 S+ 0 0 30 42,-0.4 -1,-0.3 2,-0.2 43,-0.1 0.641 91.5 125.5 66.6 21.1 24.1 -16.3 7.9 11 26 A T S < S+ 0 0 86 -3,-1.5 -2,-0.1 1,-0.2 -1,-0.1 0.503 76.6 48.8 -85.8 -7.7 23.2 -15.4 4.3 12 27 A V S > S+ 0 0 9 -4,-0.3 3,-1.7 87,-0.1 -1,-0.2 -0.748 76.9 176.4-122.6 77.2 23.8 -11.7 5.2 13 28 A P T 3 S+ 0 0 33 0, 0.0 88,-2.1 0, 0.0 38,-0.3 0.492 71.7 53.8 -74.1 0.5 27.2 -12.2 6.9 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.1 36,-0.1 2,-0.5 0.429 79.3 115.9-108.0 -5.2 28.0 -8.5 7.6 15 30 A Q E < -G 28 0C 6 -3,-1.7 37,-0.4 13,-0.2 2,-0.3 -0.534 46.2-173.7 -66.2 114.7 24.7 -7.9 9.3 16 31 A V E -G 27 0C 1 11,-2.8 11,-1.5 -2,-0.5 2,-0.4 -0.830 17.4-143.9-104.6 153.6 25.3 -7.0 12.9 17 32 A S E -GH 26 49C 1 32,-2.2 32,-3.0 -2,-0.3 2,-0.4 -0.963 13.6-141.0-103.8 135.2 22.9 -6.4 15.8 18 33 A L E -GH 25 48C 0 7,-3.0 6,-2.0 -2,-0.4 7,-1.0 -0.862 28.7-170.2 -93.6 131.2 23.6 -3.7 18.5 19 34 A N E +GH 23 47C 17 28,-2.2 28,-3.2 -2,-0.4 4,-0.2 -0.955 34.4 164.8-142.1 122.3 22.7 -4.9 22.0 20 37 A S S S- 0 0 37 2,-2.5 3,-0.1 -2,-0.3 26,-0.1 -0.355 96.5 -46.4-132.1 73.4 22.3 -3.5 25.4 21 38 A G S S+ 0 0 75 26,-0.0 2,-0.3 1,-0.0 -2,-0.0 0.298 139.0 26.1 88.3 -2.6 20.3 -6.2 27.2 22 39 A Y S S- 0 0 87 0, 0.0 -2,-2.5 0, 0.0 2,-0.4 -0.954 99.5 -78.6-177.6 165.7 18.1 -6.2 24.1 23 40 A H E +G 19 0C 34 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.653 49.1 152.8 -86.6 128.5 18.2 -5.3 20.4 24 41 A F E - 0 0 18 -6,-2.0 2,-0.3 -2,-0.4 151,-0.2 0.540 62.1 -0.9-133.8 -16.9 18.0 -1.7 19.6 25 42 A b E -G 18 0C 3 -7,-1.0 -7,-3.0 151,-0.1 -1,-0.4 -0.968 56.8-133.7-166.8 162.4 19.8 -1.1 16.2 26 43 A G E +G 17 0C 1 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.604 23.0 175.0-111.9-175.1 21.6 -3.0 13.4 27 44 A G E -G 16 0C 0 -11,-1.5 -11,-2.8 -2,-0.2 2,-0.4 -0.922 26.7-103.7-172.0-179.3 24.9 -2.1 11.7 28 45 A S E -GI 15 36C 0 8,-2.6 8,-3.3 -2,-0.3 2,-0.4 -0.990 20.2-129.7-126.9 135.1 27.3 -3.4 9.1 29 46 A L E + I 0 35C 0 -15,-2.1 74,-2.1 -2,-0.4 6,-0.2 -0.609 27.0 172.5 -77.7 125.8 30.8 -5.0 9.5 30 47 A I E - 0 0 19 4,-2.3 2,-0.2 -2,-0.4 5,-0.2 0.598 69.1 -7.0-113.2 -20.5 33.3 -3.2 7.2 31 48 A N E > S- I 0 34C 53 3,-1.3 3,-1.0 70,-0.1 -1,-0.4 -0.914 90.1 -78.5-150.4-170.9 36.5 -4.9 8.5 32 49 A S T 3 S+ 0 0 39 -2,-0.2 62,-2.9 1,-0.2 60,-0.1 0.663 127.7 29.4 -67.8 -12.2 37.4 -7.2 11.4 33 50 A Q T 3 S+ 0 0 61 60,-0.2 57,-2.4 1,-0.1 2,-0.3 0.330 110.1 64.0-126.6 8.9 37.4 -4.3 13.9 34 51 A W E < -IJ 31 89C 7 -3,-1.0 -4,-2.3 55,-0.2 -3,-1.3 -0.999 49.6-166.4-148.2 141.5 34.8 -1.7 12.7 35 52 A V E -IJ 29 88C 0 53,-2.3 53,-2.9 -2,-0.3 2,-0.5 -0.959 14.1-142.1-127.7 136.7 31.2 -1.4 12.2 36 53 A V E +IJ 28 87C 1 -8,-3.3 -8,-2.6 -2,-0.4 51,-0.2 -0.900 37.2 143.1 -97.3 132.5 29.1 1.2 10.3 37 54 A S E - J 0 86C 0 49,-2.5 49,-1.8 -2,-0.5 2,-0.3 -0.672 51.1 -61.1-142.4-157.8 25.7 2.2 11.8 38 55 A A > - 0 0 0 -12,-0.4 3,-1.4 47,-0.3 47,-0.2 -0.762 29.4-139.1 -96.4 143.2 23.4 5.2 12.3 39 56 A A G > S+ 0 0 2 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.797 105.3 63.5 -60.4 -31.2 24.5 8.3 14.4 40 57 A H G 3 S+ 0 0 17 1,-0.3 -1,-0.3 41,-0.1 44,-0.0 0.585 93.2 61.5 -76.6 -6.8 21.0 8.3 15.8 41 58 A b G < S+ 0 0 0 -3,-1.4 -1,-0.3 -15,-0.1 -2,-0.2 0.209 76.1 138.0 -94.4 9.8 21.6 4.9 17.4 42 59 A Y < + 0 0 115 -3,-1.7 2,-0.3 -5,-0.0 -3,-0.1 -0.404 21.1 139.8 -56.6 126.1 24.5 6.3 19.5 43 60 A K - 0 0 8 -2,-0.1 3,-0.3 0, 0.0 2,-0.1 -0.967 49.0-102.2-148.1 173.3 24.5 5.1 23.0 44 61 A S S S+ 0 0 94 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.420 95.1 36.2 -72.5 162.4 26.8 4.0 25.9 45 62 A G S S+ 0 0 65 1,-0.2 2,-0.5 -2,-0.1 -1,-0.2 0.855 76.3 175.5 68.1 42.5 27.3 0.3 26.7 46 63 A I - 0 0 10 -3,-0.3 21,-2.1 21,-0.1 2,-0.5 -0.719 17.5-165.5 -91.3 127.5 27.1 -1.2 23.3 47 64 A Q E -HK 19 66C 53 -28,-3.2 -28,-2.2 -2,-0.5 2,-0.5 -0.942 14.5-143.3-102.5 124.7 27.6 -4.9 22.6 48 65 A V E -HK 18 65C 0 17,-3.3 17,-2.4 -2,-0.5 2,-0.6 -0.764 11.6-158.6 -85.1 127.9 28.2 -5.9 18.9 49 66 A R E -HK 17 64C 48 -32,-3.0 -32,-2.2 -2,-0.5 3,-0.4 -0.922 11.4-169.8-117.7 113.5 26.6 -9.2 18.0 50 67 A L E + K 0 63C 2 13,-2.5 13,-1.8 -2,-0.6 -34,-0.1 -0.590 61.6 14.8-108.4 160.4 28.0 -10.9 14.9 51 69 A G S S+ 0 0 8 -38,-0.3 10,-0.3 11,-0.3 2,-0.2 0.723 84.5 158.2 12.2 56.7 26.9 -13.9 12.8 52 70 A E + 0 0 10 -37,-0.4 -42,-0.4 -3,-0.4 -1,-0.2 -0.577 20.2 157.9 -77.3 149.6 23.4 -13.8 14.5 53 71 A D S S+ 0 0 17 1,-0.4 2,-0.7 4,-0.3 82,-0.3 0.344 77.8 32.5-121.5 -76.0 20.3 -15.3 12.9 54 72 A N S > S- 0 0 26 80,-0.2 3,-1.0 1,-0.1 -1,-0.4 -0.743 71.7-164.2 -79.5 114.4 17.8 -15.9 15.8 55 73 A I T 3 S+ 0 0 27 78,-3.3 -1,-0.1 -2,-0.7 79,-0.1 0.654 83.2 55.7 -83.9 -7.0 18.6 -13.1 18.2 56 74 A N T 3 S+ 0 0 115 77,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.414 107.4 47.8 -94.2 -1.4 16.7 -14.7 21.1 57 75 A V S < S- 0 0 79 -3,-1.0 2,-0.5 76,-0.2 -4,-0.3 -0.989 79.2-121.3-144.1 140.7 18.6 -18.0 21.1 58 76 A V + 0 0 115 -2,-0.3 -3,-0.1 1,-0.1 -6,-0.0 -0.775 39.4 165.1 -82.0 123.9 22.3 -19.0 21.0 59 77 A E - 0 0 100 -2,-0.5 -1,-0.1 -5,-0.1 -7,-0.0 0.539 53.8 -82.6-126.6 -16.9 22.6 -21.2 17.9 60 78 A G S S+ 0 0 55 -9,-0.0 -8,-0.1 0, 0.0 -2,-0.1 0.180 105.6 60.5 144.2 -31.6 26.2 -21.5 17.1 61 79 A N + 0 0 65 -10,-0.3 -9,-0.1 38,-0.0 -3,-0.0 0.317 67.2 127.1-120.9 8.1 28.0 -18.8 15.1 62 80 A E - 0 0 35 -13,-0.0 2,-0.4 2,-0.0 -11,-0.3 -0.275 36.5-166.9 -59.9 141.6 27.7 -15.7 17.3 63 81 A Q E -K 50 0C 40 -13,-1.8 -13,-2.5 2,-0.1 2,-0.6 -0.989 8.3-159.6-126.0 125.9 30.6 -13.5 18.4 64 82 A F E +K 49 0C 82 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.947 20.5 168.6-104.6 122.2 29.7 -11.1 21.2 65 83 A I E -K 48 0C 16 -17,-2.4 -17,-3.3 -2,-0.6 2,-0.2 -0.999 30.2-125.4-140.0 134.7 32.2 -8.2 21.3 66 84 A S E -K 47 0C 59 -2,-0.4 25,-3.0 -19,-0.2 26,-0.3 -0.550 26.7-116.6 -77.8 141.9 32.0 -4.9 23.2 67 85 A A E -L 90 0C 24 -21,-2.1 23,-0.3 23,-0.2 3,-0.1 -0.591 24.3-174.0 -62.3 131.3 32.4 -1.7 21.4 68 86 A S E S+ 0 0 67 21,-2.5 2,-0.3 1,-0.3 22,-0.2 0.653 73.8 20.6 -98.5 -20.8 35.6 0.1 22.6 69 87 A K E -L 89 0C 70 20,-1.1 20,-2.0 2,-0.0 2,-0.4 -0.995 54.1-170.5-146.7 141.2 34.7 3.3 20.5 70 88 A S E -L 88 0C 37 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.987 12.4-170.5-132.6 116.6 31.6 4.9 18.9 71 89 A I E -L 87 0C 37 16,-3.1 16,-2.9 -2,-0.4 2,-0.2 -0.920 3.4-165.3-118.8 103.1 32.4 7.9 16.6 72 90 A V E -L 86 0C 42 -2,-0.6 14,-0.2 14,-0.3 12,-0.1 -0.578 41.3 -87.2 -82.9 144.0 29.3 9.7 15.5 73 91 A H > - 0 0 25 12,-2.2 3,-1.5 10,-0.3 -1,-0.1 -0.315 32.1-131.2 -55.6 136.3 29.8 12.1 12.6 74 92 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.774 107.6 45.4 -60.6 -29.6 31.0 15.6 13.8 75 93 A S T 3 S+ 0 0 75 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.139 80.6 139.1-107.5 13.9 28.4 17.3 11.7 76 94 A Y < - 0 0 58 -3,-1.5 2,-0.6 9,-0.1 7,-0.2 -0.350 38.7-155.4 -50.8 127.9 25.5 15.0 12.6 77 95 A N > - 0 0 70 5,-2.3 4,-2.2 1,-0.1 5,-0.4 -0.963 10.7-161.4-114.8 120.0 22.2 16.9 13.0 78 96 A S T 4 S+ 0 0 71 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.796 91.5 49.9 -67.0 -30.1 19.6 15.3 15.3 79 97 A N T 4 S+ 0 0 102 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.920 123.6 25.7 -76.4 -43.0 16.8 17.5 13.8 80 98 A T T 4 S- 0 0 65 2,-0.1 -2,-0.2 76,-0.0 -1,-0.1 0.771 94.5-133.6 -90.6 -23.8 17.5 17.0 10.1 81 99 A L >< + 0 0 2 -4,-2.2 3,-0.7 1,-0.3 2,-0.3 0.666 50.1 157.5 64.6 27.3 19.1 13.6 10.4 82 100 A N T 3 + 0 0 36 -5,-0.4 -5,-2.3 1,-0.3 -1,-0.3 -0.625 63.3 18.2 -79.6 139.4 21.8 14.9 8.1 83 101 A N T 3 S+ 0 0 19 -2,-0.3 2,-1.9 -7,-0.2 -10,-0.3 0.887 79.6 176.8 62.0 44.8 25.1 13.0 8.3 84 102 A D < + 0 0 1 -3,-0.7 2,-0.3 75,-0.2 123,-0.2 -0.522 33.3 114.2 -82.3 76.6 23.3 10.1 10.1 85 103 A I - 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