==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-DEC-06 2O9Q . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.LI,C.ZHANG,X.XU,J.WANG,W.GONG,R.LAI . 237 2 7 7 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9533.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 145 61.2 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 . 75 31.6 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 1.7 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 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 8.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.3 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 . 4 2 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 0 0 1 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 19 A I 0 0 2 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 122.7 16.2 -4.1 -7.6 2 20 A V B +A 171 0A 10 169,-3.1 169,-2.1 1,-0.2 123,-0.1 -0.849 360.0 6.6 -99.4 132.1 19.7 -2.8 -6.9 3 21 A G S S+ 0 0 42 121,-0.5 -1,-0.2 -2,-0.4 169,-0.1 0.675 102.5 121.9 73.4 20.6 21.7 -4.6 -4.2 4 22 A G - 0 0 33 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.025 53.4-121.7 -96.6-159.0 19.2 -7.4 -3.7 5 23 A Y E -B 137 0B 122 132,-2.3 132,-3.2 -3,-0.1 2,-0.4 -0.942 35.8 -80.6-144.6 161.0 19.2 -11.2 -3.9 6 24 A T E -B 136 0B 70 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.554 37.2-151.4 -66.4 120.0 17.4 -13.9 -5.9 7 25 A a - 0 0 19 128,-2.0 -1,-0.2 -2,-0.4 129,-0.1 0.895 38.1-110.9 -58.6 -45.0 14.1 -14.5 -4.1 8 26 A G > - 0 0 26 127,-0.5 3,-2.0 -3,-0.0 4,-0.3 0.027 49.2 -56.6 108.6 134.5 13.8 -18.1 -5.0 9 27 A A T 3 S- 0 0 60 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.139 118.0 -12.1 -48.4 124.8 11.1 -19.4 -7.4 10 28 A N T 3 S+ 0 0 45 42,-0.3 -1,-0.3 2,-0.2 43,-0.1 0.593 90.5 127.2 60.1 18.8 7.6 -18.6 -6.4 11 29 A T S < S+ 0 0 82 -3,-2.0 -1,-0.1 1,-0.3 -2,-0.1 0.574 78.6 46.4 -77.3 -10.6 8.5 -17.4 -2.9 12 30 A V S > S+ 0 0 7 -4,-0.3 3,-1.9 1,-0.1 -1,-0.3 -0.667 74.1 169.1-125.8 71.3 6.7 -14.2 -3.7 13 31 A P T 3 S+ 0 0 31 0, 0.0 88,-1.4 0, 0.0 38,-0.3 0.596 71.2 58.8 -71.7 -10.8 3.5 -15.7 -5.1 14 32 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.6 88,-0.1 2,-0.4 0.540 82.5 106.9 -87.9 -10.8 1.5 -12.5 -5.1 15 33 A Q E < -L 28 0C 3 -3,-1.9 36,-0.4 13,-0.2 37,-0.4 -0.571 49.0-178.0 -73.0 127.0 4.1 -10.8 -7.4 16 34 A V E -L 27 0C 1 11,-2.3 11,-1.2 -2,-0.4 2,-0.4 -0.840 21.9-132.9-119.1 160.7 3.0 -10.3 -11.0 17 35 A S E -LM 26 49C 1 32,-2.1 32,-2.8 -2,-0.3 2,-0.5 -0.944 14.4-143.1-109.0 133.2 4.7 -8.9 -14.1 18 36 A L E -LM 25 48C 0 7,-3.1 6,-2.6 -2,-0.4 7,-1.1 -0.865 26.2-169.7 -96.2 127.8 2.9 -6.3 -16.3 19 37 A N E +LM 23 47C 19 28,-2.8 28,-2.3 -2,-0.5 4,-0.2 -0.965 33.0 164.9-130.7 133.0 3.7 -7.0 -19.9 20 38 A S S S- 0 0 35 2,-2.3 3,-0.1 -2,-0.4 26,-0.1 -0.313 96.7 -48.2-133.9 48.6 3.0 -5.0 -23.2 21 39 A G S S+ 0 0 71 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.365 140.3 33.1 93.9 -1.7 5.5 -6.9 -25.4 22 40 A Y S S- 0 0 111 -4,-0.0 -2,-2.3 0, 0.0 2,-0.4 -0.907 101.8 -86.9-170.1 153.9 8.1 -6.5 -22.7 23 41 A H E +L 19 0C 21 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.615 51.2 158.6 -67.9 127.4 8.0 -6.3 -18.9 24 42 A F E + 0 0 4 -6,-2.6 207,-1.8 1,-0.4 2,-0.3 0.587 57.3 2.6-126.8 -20.5 7.4 -2.7 -17.8 25 43 A b E -L 18 0C 0 -7,-1.1 -7,-3.1 205,-0.2 -1,-0.4 -0.974 61.0-124.2-157.8 166.2 6.0 -2.8 -14.2 26 44 A G E -L 17 0C 0 151,-3.5 12,-0.4 -2,-0.3 2,-0.3 -0.493 23.3-176.7-103.7 179.6 5.2 -5.0 -11.3 27 45 A G E -L 16 0C 0 -11,-1.2 -11,-2.3 -2,-0.2 2,-0.4 -0.955 22.1-121.3-164.7 171.4 2.0 -5.6 -9.4 28 46 A S E -LN 15 36C 0 8,-2.4 8,-2.8 -2,-0.3 2,-0.4 -0.993 21.8-130.0-128.3 127.2 0.6 -7.5 -6.4 29 47 A L E + N 0 35C 0 -15,-2.6 74,-2.3 -2,-0.4 6,-0.2 -0.596 28.5 171.9 -73.1 126.9 -2.4 -9.9 -6.6 30 48 A I E - 0 0 18 4,-2.7 2,-0.3 1,-0.4 5,-0.2 0.615 68.4 -4.4-113.6 -19.5 -4.9 -9.1 -3.9 31 49 A N E > S- N 0 34C 44 3,-1.4 3,-1.0 70,-0.1 -1,-0.4 -0.927 89.2 -83.2-153.3 179.1 -7.7 -11.4 -4.9 32 50 A S T 3 S+ 0 0 39 -2,-0.3 62,-3.4 1,-0.2 60,-0.1 0.702 128.2 31.4 -59.7 -17.6 -8.3 -13.9 -7.8 33 51 A Q T 3 S+ 0 0 78 60,-0.2 57,-2.6 1,-0.1 2,-0.4 0.435 110.4 68.1-118.3 -2.7 -9.5 -11.0 -10.1 34 52 A W E < -NO 31 89C 4 -3,-1.0 -4,-2.7 55,-0.2 -3,-1.4 -0.980 48.2-170.8-136.8 134.9 -7.6 -7.9 -8.9 35 53 A V E -NO 29 88C 0 53,-2.7 53,-3.1 -2,-0.4 2,-0.4 -0.954 16.0-143.8-119.0 135.7 -4.1 -6.6 -9.0 36 54 A V E +NO 28 87C 0 -8,-2.8 -8,-2.4 -2,-0.4 51,-0.2 -0.861 36.6 146.0 -93.7 132.7 -2.7 -3.5 -7.1 37 55 A S E - O 0 86C 0 49,-3.0 49,-2.3 -2,-0.4 2,-0.3 -0.717 50.6 -69.6-144.2-166.0 -0.0 -1.5 -9.0 38 56 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.3 47,-0.3 -0.766 32.6-131.3 -95.1 143.6 1.1 2.1 -9.5 39 57 A A G > S+ 0 0 1 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.823 106.5 63.8 -63.1 -28.6 -1.0 4.6 -11.4 40 58 A H G 3 S+ 0 0 1 1,-0.3 -1,-0.3 41,-0.1 188,-0.1 0.634 91.9 65.9 -73.4 -8.6 2.0 5.7 -13.4 41 59 A b G < S+ 0 0 3 -3,-1.6 -1,-0.3 -15,-0.1 -2,-0.2 0.406 77.5 129.9 -84.0 -1.2 2.1 2.2 -14.9 42 60 A Y < + 0 0 112 -3,-1.9 2,-0.3 -4,-0.1 -3,-0.0 -0.284 23.1 131.8 -58.4 135.5 -1.3 2.9 -16.5 43 61 A K - 0 0 53 3,-0.0 3,-0.4 0, 0.0 2,-0.1 -0.930 55.1 -93.7-168.3 164.7 -1.6 2.1 -20.2 44 62 A S S S+ 0 0 103 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.485 100.3 32.5 -76.2 154.6 -3.9 0.3 -22.6 45 63 A G S S+ 0 0 70 1,-0.2 2,-0.4 22,-0.2 -1,-0.2 0.852 74.0 172.4 71.6 38.1 -3.3 -3.4 -23.5 46 64 A I - 0 0 4 -3,-0.4 21,-2.9 21,-0.2 2,-0.5 -0.664 16.9-161.4 -81.2 131.1 -1.8 -4.6 -20.3 47 65 A Q E -MP 19 66C 51 -28,-2.3 -28,-2.8 -2,-0.4 2,-0.5 -0.971 10.9-145.7-107.8 127.1 -1.2 -8.4 -19.9 48 66 A V E -MP 18 65C 0 17,-3.2 17,-2.9 -2,-0.5 2,-0.6 -0.798 8.7-157.5 -93.2 130.4 -0.8 -9.6 -16.3 49 67 A R E -MP 17 64C 48 -32,-2.8 -32,-2.1 -2,-0.5 3,-0.3 -0.944 14.1-174.5-116.0 113.9 1.7 -12.5 -15.9 50 68 A L E + P 0 63C 2 13,-3.0 13,-2.3 -2,-0.6 -34,-0.1 -0.740 59.5 28.4-109.2 153.5 1.2 -14.6 -12.8 51 69 A G S S+ 0 0 4 48,-0.4 2,-0.2 -36,-0.4 -1,-0.2 0.715 85.3 152.7 72.8 23.9 3.2 -17.5 -11.3 52 70 A E + 0 0 9 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.587 24.2 152.5 -89.0 143.5 6.5 -16.2 -12.8 53 71 A D S S+ 0 0 32 1,-0.3 2,-0.8 -2,-0.2 82,-0.2 0.414 82.7 32.8-118.8 -71.9 10.0 -16.6 -11.7 54 72 A N S > S- 0 0 43 80,-0.2 3,-1.0 1,-0.1 -1,-0.3 -0.755 70.4-168.8 -81.2 108.8 12.1 -16.4 -14.9 55 73 A I T 3 S+ 0 0 24 78,-2.4 -1,-0.1 -2,-0.8 79,-0.1 0.547 81.5 58.9 -76.2 -7.0 10.1 -13.9 -17.1 56 74 A N T 3 S+ 0 0 108 77,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.280 101.9 56.1-106.0 6.1 12.2 -14.7 -20.2 57 75 A V S < S- 0 0 72 -3,-1.0 2,-0.6 76,-0.2 -4,-0.2 -0.995 74.1-137.9-139.3 132.5 11.5 -18.5 -20.3 58 76 A V + 0 0 108 -2,-0.3 -3,-0.1 1,-0.2 -6,-0.0 -0.834 24.3 170.9 -93.0 118.9 8.0 -20.2 -20.5 59 77 A E - 0 0 150 -2,-0.6 -1,-0.2 -5,-0.1 -7,-0.0 0.732 51.1-110.1 -97.6 -29.9 7.8 -23.2 -18.2 60 78 A G S S+ 0 0 62 0, 0.0 -2,-0.1 0, 0.0 0, 0.0 0.244 100.0 82.4 120.3 -11.5 4.1 -23.9 -18.5 61 79 A N + 0 0 62 -10,-0.1 2,-0.1 2,-0.1 38,-0.1 0.386 65.4 108.2-104.0 3.1 2.7 -23.0 -15.1 62 80 A E - 0 0 28 -13,-0.0 2,-0.5 2,-0.0 -11,-0.2 -0.453 60.5-144.1 -68.1 150.2 2.5 -19.2 -15.8 63 81 A Q E -P 50 0C 39 -13,-2.3 -13,-3.0 -2,-0.1 2,-0.6 -0.987 10.4-165.5-116.9 120.8 -0.9 -17.6 -16.2 64 82 A F E +P 49 0C 78 -2,-0.5 2,-0.4 -15,-0.2 -15,-0.2 -0.929 17.8 169.6-104.6 114.6 -1.0 -14.8 -18.8 65 83 A I E -P 48 0C 21 -17,-2.9 -17,-3.2 -2,-0.6 -2,-0.1 -0.991 29.4-125.5-133.5 130.8 -4.3 -12.9 -18.4 66 84 A S E -P 47 0C 58 -2,-0.4 25,-2.9 -19,-0.2 2,-0.5 -0.344 26.9-113.0 -69.8 148.6 -5.3 -9.6 -20.0 67 85 A A E -Q 90 0C 22 -21,-2.9 23,-0.3 23,-0.2 -22,-0.2 -0.733 25.0-172.9 -77.0 126.7 -6.4 -6.6 -17.9 68 86 A S E S+ 0 0 63 21,-2.6 2,-0.3 -2,-0.5 22,-0.2 0.730 76.1 17.7 -88.1 -27.5 -10.1 -5.8 -18.6 69 87 A K E -Q 89 0C 80 20,-1.3 20,-2.3 2,-0.0 2,-0.4 -0.994 56.8-169.3-142.3 140.4 -9.9 -2.6 -16.5 70 88 A S E -Q 88 0C 27 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.932 16.4-172.5-129.6 109.4 -7.1 -0.4 -15.3 71 89 A I E -Q 87 0C 42 16,-3.1 16,-2.3 -2,-0.4 2,-0.1 -0.884 6.4-159.2-112.3 104.4 -8.4 2.1 -12.7 72 90 A V E -Q 86 0C 47 -2,-0.7 14,-0.2 14,-0.2 12,-0.1 -0.429 41.2 -86.5 -74.3 153.7 -6.0 4.8 -11.5 73 91 A H > - 0 0 24 12,-2.3 3,-2.2 10,-0.4 -1,-0.1 -0.410 39.6-124.8 -55.5 136.4 -6.8 6.5 -8.2 74 92 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.704 110.4 47.3 -64.2 -17.4 -9.2 9.4 -9.2 75 93 A S T 3 S+ 0 0 74 8,-0.1 -2,-0.1 2,-0.0 7,-0.1 0.141 80.1 138.3-107.7 18.0 -6.8 11.9 -7.5 76 94 A Y < - 0 0 54 -3,-2.2 2,-0.4 9,-0.1 7,-0.2 -0.354 36.0-161.9 -57.6 139.7 -3.6 10.5 -9.1 77 95 A N > - 0 0 72 5,-1.7 4,-2.4 1,-0.1 5,-0.3 -0.966 13.0-158.7-131.8 116.6 -1.3 13.4 -10.2 78 96 A S T 4 S+ 0 0 81 -2,-0.4 -1,-0.1 1,-0.2 -2,-0.0 0.562 91.2 51.5 -75.2 -8.6 1.4 12.5 -12.8 79 97 A N T 4 S+ 0 0 84 157,-0.1 158,-2.6 3,-0.1 159,-0.2 0.898 124.7 22.7 -88.9 -50.7 3.5 15.6 -11.8 80 98 A T T 4 S- 0 0 62 156,-0.2 -2,-0.2 157,-0.1 3,-0.1 0.659 94.3-135.3 -87.4 -19.4 3.7 15.1 -8.0 81 99 A L >< + 0 0 3 -4,-2.4 3,-0.7 1,-0.2 -3,-0.2 0.622 47.6 157.9 61.7 19.2 3.0 11.3 -8.1 82 100 A N T 3 + 0 0 35 -5,-0.3 -5,-1.7 1,-0.2 -1,-0.2 -0.465 64.9 18.9 -65.1 144.5 0.5 11.8 -5.2 83 101 A N T 3 S+ 0 0 17 -7,-0.2 2,-2.1 1,-0.2 -10,-0.4 0.902 78.7 176.2 58.8 45.7 -2.0 8.9 -5.1 84 102 A D < + 0 0 0 -3,-0.7 2,-0.3 75,-0.2 -1,-0.2 -0.486 33.4 116.4 -84.5 71.8 0.2 6.7 -7.2 85 103 A I - 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