==== 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 09-SEP-05 2AYW . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.SHERAWAT,P.KAUR,M.PERBANDT,C.BETZEL,W.A.SLUSARCHYK,G.S.BIS . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9428.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 59.6 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 . 69 30.9 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 . 20 9.0 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 . 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 0 1 0 0 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 . 3 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 0.000 360.0 360.0 360.0 122.3 29.5 15.2 19.4 2 17 A V B +A 171 0A 9 169,-3.0 169,-2.0 1,-0.2 123,-0.1 -0.885 360.0 8.3-102.6 130.9 33.2 16.2 19.5 3 18 A G S S+ 0 0 36 121,-0.6 -1,-0.2 -2,-0.5 169,-0.1 0.665 102.5 119.3 76.3 17.2 35.6 14.1 17.4 4 19 A G - 0 0 32 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.048 56.1-117.9 -94.4-160.9 32.8 12.2 15.6 5 20 A Y E -B 137 0B 94 132,-2.4 132,-2.8 -3,-0.1 2,-0.4 -0.930 34.3 -83.1-140.1 161.3 31.8 11.9 12.0 6 21 A T E -B 136 0B 75 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.553 38.5-153.1 -67.4 118.0 28.8 12.7 9.8 7 22 A a - 0 0 19 128,-2.2 -1,-0.2 -2,-0.4 129,-0.1 0.889 34.9-112.1 -61.5 -43.9 26.5 9.7 10.3 8 23 A G > - 0 0 26 127,-0.5 3,-1.8 -3,-0.1 4,-0.3 -0.034 48.3 -56.8 108.4 140.2 24.7 9.9 7.0 9 24 A A T 3 S- 0 0 48 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.268 117.9 -10.9 -58.8 125.5 21.1 10.7 6.5 10 25 A N T 3 S+ 0 0 24 42,-0.4 -1,-0.3 2,-0.1 43,-0.1 0.677 90.3 128.8 61.4 27.4 18.7 8.5 8.4 11 26 A T S < S+ 0 0 82 -3,-1.8 -2,-0.1 1,-0.2 -1,-0.1 0.574 75.7 46.5 -80.7 -11.7 21.4 6.0 9.3 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-2.0 87,-0.1 -1,-0.2 -0.751 74.0 174.9-129.0 73.5 20.4 6.2 13.0 13 28 A P T 3 S+ 0 0 34 0, 0.0 88,-1.5 0, 0.0 38,-0.3 0.625 73.1 57.2 -72.7 -10.8 16.6 5.9 12.6 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.5 88,-0.1 2,-0.4 0.490 81.9 107.9 -89.7 -8.2 15.8 5.8 16.3 15 30 A Q E < -J 28 0C 4 -3,-2.0 36,-0.4 13,-0.2 37,-0.4 -0.591 49.7-174.7 -74.8 126.6 17.5 9.1 16.9 16 31 A V E -J 27 0C 1 11,-2.6 11,-1.2 -2,-0.4 2,-0.5 -0.831 20.3-137.2-115.9 156.9 15.1 12.0 17.6 17 32 A S E -JK 26 49C 0 32,-2.3 32,-2.8 -2,-0.3 2,-0.5 -0.961 13.8-143.3-107.4 129.8 15.6 15.7 18.1 18 33 A L E -JK 25 48C 0 7,-3.1 6,-2.7 -2,-0.5 7,-1.1 -0.868 28.1-167.8 -92.5 125.4 13.7 17.4 20.9 19 34 A N E +JK 23 47C 13 28,-2.8 28,-2.6 -2,-0.5 4,-0.2 -0.945 34.8 169.5-127.1 134.4 12.7 20.8 19.6 20 37 A S S S- 0 0 33 2,-2.4 3,-0.1 -2,-0.4 26,-0.1 -0.363 96.2 -51.7-130.3 50.2 11.3 23.9 21.3 21 38 A G S S+ 0 0 73 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.482 140.0 36.4 83.4 8.1 11.8 26.2 18.3 22 39 A Y S S- 0 0 128 -4,-0.0 -2,-2.4 0, 0.0 2,-0.4 -0.890 103.1 -86.0-175.7 155.6 15.4 25.0 18.2 23 40 A H E +J 19 0C 33 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.607 50.2 158.8 -72.5 128.4 17.1 21.6 18.9 24 41 A F E + 0 0 29 -6,-2.7 2,-0.3 1,-0.4 151,-0.3 0.586 58.4 1.4-127.0 -18.5 17.8 21.3 22.7 25 42 A b E -J 18 0C 7 -7,-1.1 -7,-3.1 151,-0.1 -1,-0.4 -0.977 62.4-122.1-161.0 160.7 18.3 17.5 23.4 26 43 A G E +J 17 0C 0 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.432 25.2 179.7 -95.0 179.7 18.3 14.1 21.8 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.6 -2,-0.2 2,-0.4 -0.952 23.5-119.2-166.8 175.3 16.2 11.1 22.5 28 45 A S E -JL 15 36C 2 8,-2.4 8,-2.8 -2,-0.3 2,-0.4 -0.989 21.5-128.9-131.0 126.7 15.6 7.5 21.3 29 46 A L E + L 0 35C 0 -15,-2.5 74,-2.3 -2,-0.4 6,-0.2 -0.589 27.5 173.1 -73.3 128.0 12.4 6.1 19.8 30 47 A I E - 0 0 22 4,-2.8 2,-0.3 1,-0.4 5,-0.2 0.606 68.5 -11.1-114.2 -17.2 11.4 2.8 21.6 31 48 A N E > S- L 0 34C 50 3,-1.3 3,-0.7 70,-0.1 -1,-0.4 -0.917 89.7 -76.5-160.4-175.8 8.0 2.3 20.0 32 49 A S T 3 S+ 0 0 32 -2,-0.3 62,-3.0 1,-0.2 60,-0.1 0.649 128.8 30.4 -63.8 -15.6 5.6 4.3 17.8 33 50 A Q T 3 S+ 0 0 75 60,-0.2 57,-2.7 1,-0.1 2,-0.4 0.454 109.7 69.0-117.8 -4.6 4.4 6.4 20.7 34 51 A W E < -LM 31 89C 2 -3,-0.7 -4,-2.8 55,-0.2 -3,-1.3 -0.970 47.1-172.0-135.0 139.7 7.4 6.6 23.2 35 52 A V E -LM 29 88C 0 53,-2.6 53,-2.9 -2,-0.4 2,-0.5 -0.957 16.4-143.1-124.8 137.7 10.8 8.2 23.4 36 53 A V E +LM 28 87C 1 -8,-2.8 -8,-2.4 -2,-0.4 51,-0.2 -0.884 36.8 145.8 -97.9 132.3 13.5 7.7 26.0 37 54 A S E - M 0 86C 0 49,-2.9 49,-2.4 -2,-0.5 2,-0.4 -0.704 50.2 -68.5-144.0-165.3 15.6 10.8 26.9 38 55 A A > - 0 0 0 -12,-0.4 3,-1.9 47,-0.3 47,-0.3 -0.791 30.4-133.7 -96.8 138.4 17.3 12.4 29.9 39 56 A A G > S+ 0 0 2 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.840 106.2 64.4 -53.9 -35.1 15.3 13.8 32.9 40 57 A H G 3 S+ 0 0 73 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.640 92.3 63.9 -72.1 -8.5 17.4 16.9 32.8 41 58 A b G < S+ 0 0 4 -3,-1.9 -1,-0.3 -15,-0.1 -2,-0.2 0.421 75.5 129.3 -86.9 0.3 16.0 17.6 29.4 42 59 A Y < + 0 0 140 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.0 -0.286 25.7 128.5 -57.6 135.6 12.5 18.1 30.8 43 60 A K - 0 0 63 -2,-0.0 3,-0.4 3,-0.0 2,-0.1 -0.956 55.2 -88.5-169.4 174.1 10.7 21.3 29.9 44 61 A S S S+ 0 0 108 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.451 97.9 38.3 -84.8 163.7 7.4 22.5 28.4 45 62 A G S S+ 0 0 62 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.773 73.2 169.7 74.6 26.8 6.7 22.9 24.8 46 63 A I - 0 0 11 -3,-0.4 21,-2.6 21,-0.1 2,-0.5 -0.588 14.8-173.1 -80.2 130.3 8.5 19.9 23.5 47 64 A Q E -KN 19 66C 51 -28,-2.6 -28,-2.8 -2,-0.4 2,-0.5 -0.982 18.7-139.2-113.2 130.7 8.0 18.8 19.9 48 65 A V E -KN 18 65C 0 17,-3.1 17,-2.7 -2,-0.5 2,-0.6 -0.772 12.8-159.0 -91.6 129.7 9.6 15.5 18.9 49 66 A R E -KN 17 64C 48 -32,-2.8 -32,-2.3 -2,-0.5 3,-0.3 -0.942 13.2-177.9-116.5 112.5 11.2 15.5 15.5 50 67 A L E + N 0 63C 2 13,-3.0 13,-2.1 -2,-0.6 -34,-0.1 -0.690 61.0 31.1-104.8 157.6 11.7 12.1 13.9 51 69 A G S S+ 0 0 5 -36,-0.4 10,-0.3 48,-0.4 2,-0.2 0.673 84.8 153.8 71.0 18.2 13.3 11.2 10.6 52 70 A E + 0 0 9 -37,-0.4 -42,-0.4 -3,-0.3 -1,-0.2 -0.543 21.9 149.3 -85.5 145.3 15.8 14.1 10.8 53 71 A D S S+ 0 0 12 1,-0.4 2,-0.8 4,-0.2 -1,-0.2 0.363 81.6 32.7-121.3 -79.8 19.2 14.5 9.3 54 72 A N S > S- 0 0 22 80,-0.2 3,-1.1 1,-0.2 -1,-0.4 -0.666 72.7-164.3 -75.3 110.4 19.7 18.2 8.6 55 73 A I T 3 S+ 0 0 26 78,-2.5 -1,-0.2 -2,-0.8 79,-0.1 0.552 84.7 53.5 -75.7 -5.6 17.7 19.8 11.5 56 74 A N T 3 S+ 0 0 113 77,-0.2 2,-0.3 1,-0.1 -1,-0.2 0.404 106.4 53.4-107.1 -0.4 17.6 23.2 9.7 57 75 A V S < S- 0 0 75 -3,-1.1 2,-0.7 76,-0.2 -4,-0.2 -0.997 80.7-120.5-139.0 138.3 16.2 22.1 6.4 58 76 A V + 0 0 118 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.707 35.1 171.0 -78.8 115.0 13.1 20.1 5.4 59 77 A E - 0 0 96 -2,-0.7 -1,-0.2 -5,-0.2 -4,-0.0 0.569 51.4-102.8-106.7 -13.2 14.4 17.1 3.5 60 78 A G S S+ 0 0 58 0, 0.0 -2,-0.1 0, 0.0 -8,-0.1 0.386 102.1 76.4 114.0 -3.2 11.3 15.0 3.2 61 79 A N + 0 0 62 -10,-0.3 2,-0.1 38,-0.0 -9,-0.1 0.329 65.7 120.8-119.9 8.6 11.4 12.3 5.8 62 80 A E - 0 0 35 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.355 40.2-167.4 -74.1 150.8 10.6 14.2 8.9 63 81 A Q E -N 50 0C 36 -13,-2.1 -13,-3.0 -2,-0.1 2,-0.5 -0.984 7.0-164.5-131.2 123.7 7.7 13.6 11.3 64 82 A F E +N 49 0C 79 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.956 16.9 168.0-109.1 120.8 7.0 16.4 13.8 65 83 A I E -N 48 0C 17 -17,-2.7 -17,-3.1 -2,-0.5 -2,-0.1 -0.996 32.0-120.8-138.4 129.2 4.8 15.3 16.7 66 84 A S E -N 47 0C 56 -2,-0.4 25,-2.9 -19,-0.2 2,-0.4 -0.334 29.0-113.3 -65.6 146.0 4.1 17.2 20.0 67 85 A A E -O 90 0C 24 -21,-2.6 23,-0.3 23,-0.2 -22,-0.1 -0.662 29.6-177.2 -73.4 130.5 4.9 15.5 23.3 68 86 A S E S+ 0 0 64 21,-2.9 2,-0.3 -2,-0.4 22,-0.2 0.707 70.2 21.9 -98.0 -25.9 1.7 14.8 25.2 69 87 A K E -O 89 0C 81 20,-1.3 20,-2.4 2,-0.0 2,-0.4 -0.995 56.5-168.2-141.5 144.1 3.4 13.4 28.3 70 88 A S E -O 88 0C 35 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.975 11.6-172.1-132.8 117.5 6.8 13.7 29.9 71 89 A I E -O 87 0C 36 16,-3.3 16,-2.6 -2,-0.4 2,-0.2 -0.912 4.7-162.7-121.2 102.6 7.5 11.3 32.7 72 90 A V E -O 86 0C 42 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.510 41.3 -86.6 -78.2 149.0 10.7 11.8 34.6 73 91 A H > - 0 0 28 12,-2.4 3,-2.0 10,-0.3 -1,-0.1 -0.327 38.7-123.0 -54.6 136.9 12.0 8.9 36.7 74 92 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.720 109.6 40.9 -56.2 -24.0 10.3 9.1 40.2 75 93 A S T 3 S+ 0 0 76 8,-0.1 -2,-0.1 2,-0.1 9,-0.1 0.121 78.3 141.1-116.4 22.9 13.7 9.2 41.9 76 94 A Y < - 0 0 55 -3,-2.0 2,-0.4 9,-0.1 7,-0.2 -0.372 35.0-159.8 -55.1 138.9 15.6 11.6 39.5 77 95 A N > - 0 0 69 5,-1.8 4,-2.2 1,-0.1 5,-0.2 -0.973 12.4-159.7-129.7 116.8 17.8 13.9 41.6 78 96 A S T 4 S+ 0 0 92 -2,-0.4 -1,-0.1 2,-0.2 -2,-0.0 0.558 91.8 49.7 -75.3 -7.3 18.9 17.1 39.8 79 97 A N T 4 S+ 0 0 138 3,-0.1 -1,-0.2 1,-0.0 -2,-0.0 0.898 122.6 26.9 -90.7 -60.7 21.8 17.5 42.3 80 98 A T T 4 S- 0 0 69 1,-0.1 -2,-0.2 2,-0.1 77,-0.1 0.700 96.8-135.6 -75.0 -20.9 23.4 14.0 42.2 81 99 A L >< + 0 0 41 -4,-2.2 3,-0.7 1,-0.3 -3,-0.1 0.483 48.7 155.6 73.0 10.3 22.1 13.4 38.6 82 100 A N T 3 + 0 0 36 -5,-0.2 -5,-1.8 1,-0.2 -1,-0.3 -0.380 61.8 16.8 -66.6 142.4 21.1 9.9 39.7 83 101 A N T 3 S+ 0 0 15 -7,-0.2 2,-2.2 1,-0.2 -10,-0.3 0.889 74.6 178.2 63.2 46.7 18.3 8.4 37.6 84 102 A D < + 0 0 2 -3,-0.7 2,-0.3 75,-0.2 123,-0.2 -0.464 36.8 115.2 -82.2 75.6 18.7 10.8 34.7 85 103 A I + 0 0 0 -2,-2.2 -12,-2.4 -47,-0.3 2,-0.3 -0.997 37.3 178.3-147.0 141.9 16.0 9.3 32.5 86 104 A M E -MO 37 72C 0 -49,-2.4 -49,-2.9 -2,-0.3 2,-0.5 -0.990 19.2-141.5-143.9 149.2 12.6 10.4 31.1 87 105 A L E -MO 36 71C 0 -16,-2.6 -16,-3.3 -2,-0.3 2,-0.5 -0.953 14.9-162.0-110.6 131.5 9.9 8.9 28.9 88 106 A I E -MO 35 70C 0 -53,-2.9 -53,-2.6 -2,-0.5 2,-0.4 -0.953 5.7-151.8-114.5 128.3 8.1 11.2 26.4 89 107 A K E -MO 34 69C 32 -20,-2.4 -21,-2.9 -2,-0.5 -20,-1.3 -0.844 17.2-128.4 -97.2 136.3 4.8 10.1 24.9 90 108 A L E - 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