==== 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 31-JAN-05 1YP9 . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR J.FOKKENS,U.OBST-SANDER,A.HEINE,F.DIEDERICH,G.KLEBE . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9092.0 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 . 71 31.8 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 . 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 . 4 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 1 253 A I 0 0 2 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 127.7 11.6 58.3 7.6 2 17 A V B +A 171 0A 12 169,-2.8 169,-1.8 1,-0.2 123,-0.1 -0.920 360.0 7.2-108.5 129.9 8.1 58.5 6.3 3 18 A G S S+ 0 0 46 -2,-0.5 -1,-0.2 121,-0.4 2,-0.1 0.683 103.4 124.2 75.9 19.4 7.0 56.5 3.2 4 19 A G - 0 0 31 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.096 53.6-121.2 -94.8-168.9 10.4 54.7 3.2 5 20 A Y E -B 137 0B 95 132,-2.8 132,-3.0 -3,-0.1 2,-0.4 -0.938 34.6 -83.8-137.1 161.6 11.4 51.0 3.3 6 21 A T E -B 136 0B 77 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.471 38.8-152.4 -62.8 118.5 13.5 48.7 5.4 7 22 A a - 0 0 15 128,-2.3 -1,-0.2 -2,-0.4 129,-0.1 0.913 34.5-112.6 -61.8 -40.5 17.0 49.2 4.2 8 23 A G > - 0 0 26 127,-0.5 3,-2.1 -3,-0.1 4,-0.3 -0.006 49.0 -57.8 106.0 135.6 18.3 45.8 5.1 9 24 A A T 3 S- 0 0 56 1,-0.3 44,-0.1 2,-0.1 43,-0.1 -0.216 118.8 -11.0 -57.4 127.5 21.0 45.3 7.8 10 25 A N T 3 S+ 0 0 40 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.710 88.8 130.3 58.8 25.6 24.1 47.2 7.2 11 26 A T S < S+ 0 0 83 -3,-2.1 -2,-0.1 1,-0.3 -1,-0.1 0.672 77.6 47.1 -79.3 -12.8 23.2 48.2 3.6 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-2.3 1,-0.1 -1,-0.3 -0.715 73.1 172.1-123.9 72.0 24.0 51.8 4.6 13 28 A P T 3 S+ 0 0 32 0, 0.0 88,-2.0 0, 0.0 38,-0.3 0.557 73.1 57.7 -71.0 -7.0 27.4 51.2 6.2 14 29 A Y T 3 S+ 0 0 23 86,-0.2 15,-2.1 88,-0.1 2,-0.4 0.452 82.1 111.5 -93.2 -4.2 28.2 54.8 6.6 15 30 A Q E < -J 28 0C 4 -3,-2.3 36,-0.5 13,-0.2 37,-0.4 -0.624 48.2-173.6 -79.5 132.1 25.0 55.4 8.6 16 31 A V E -J 27 0C 1 11,-2.3 11,-1.0 -2,-0.4 2,-0.5 -0.906 19.4-141.8-124.5 145.7 25.6 56.3 12.2 17 32 A S E -JK 26 49C 1 32,-2.3 32,-3.1 -2,-0.3 2,-0.5 -0.934 12.2-145.9-106.4 133.6 23.4 56.8 15.2 18 33 A L E -JK 25 48C 0 7,-2.8 6,-2.2 -2,-0.5 7,-1.1 -0.860 26.9-169.0 -91.6 126.3 24.2 59.5 17.7 19 34 A N E +JK 23 47C 18 28,-3.0 28,-2.4 -2,-0.5 4,-0.2 -0.967 32.1 167.5-128.4 137.9 23.2 58.3 21.2 20 37 A S S S- 0 0 34 2,-2.2 3,-0.1 -2,-0.4 26,-0.1 -0.320 95.6 -47.2-137.2 52.1 22.9 59.9 24.6 21 38 A G S S+ 0 0 73 1,-0.1 2,-0.3 26,-0.1 -2,-0.1 0.345 139.6 30.7 92.0 -0.5 21.0 57.2 26.4 22 39 A Y S S- 0 0 124 0, 0.0 -2,-2.2 0, 0.0 2,-0.4 -0.952 100.3 -83.4-169.7 162.9 18.7 57.1 23.4 23 40 A H E +J 19 0C 36 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.629 51.4 154.9 -72.1 128.1 18.8 57.6 19.7 24 41 A F E + 0 0 28 -6,-2.2 2,-0.3 -2,-0.4 151,-0.3 0.621 57.6 4.9-127.6 -18.5 18.5 61.4 18.9 25 42 A b E -J 18 0C 7 -7,-1.1 -7,-2.8 151,-0.1 -1,-0.4 -0.991 60.5-120.4-157.7 163.6 20.1 62.0 15.6 26 43 A G E +J 17 0C 0 151,-3.7 12,-0.4 -2,-0.3 2,-0.3 -0.422 26.2 177.4 -98.0 179.9 21.8 60.5 12.5 27 44 A G E -J 16 0C 0 -11,-1.0 -11,-2.3 -2,-0.1 2,-0.4 -0.951 23.3-120.0-169.4 168.4 25.3 61.1 11.1 28 45 A S E -JL 15 36C 1 8,-2.9 8,-3.5 -2,-0.3 2,-0.4 -0.992 19.2-130.0-129.0 130.9 27.6 59.9 8.3 29 46 A L E + L 0 35C 0 -15,-2.1 74,-2.6 -2,-0.4 6,-0.2 -0.610 29.0 170.2 -76.1 122.8 31.0 58.3 8.6 30 47 A I E - 0 0 23 4,-2.8 2,-0.3 -2,-0.4 75,-0.2 0.622 68.9 -6.2-116.0 -13.5 33.5 60.1 6.4 31 48 A N E > S- L 0 34C 53 3,-1.2 3,-1.0 70,-0.1 -1,-0.4 -0.907 90.2 -80.8-159.4 178.4 36.7 58.5 7.6 32 49 A S T 3 S+ 0 0 38 -2,-0.3 62,-3.4 1,-0.2 60,-0.1 0.706 128.0 28.7 -63.4 -13.0 37.6 56.1 10.4 33 50 A Q T 3 S+ 0 0 56 60,-0.2 57,-2.5 1,-0.1 2,-0.4 0.439 109.8 69.7-129.2 8.3 37.6 58.9 13.0 34 51 A W E < -LM 31 89C 9 -3,-1.0 -4,-2.8 55,-0.2 -3,-1.2 -0.992 49.7-169.8-135.6 132.8 35.2 61.6 11.7 35 52 A V E -LM 29 88C 0 53,-2.8 53,-2.5 -2,-0.4 2,-0.5 -0.911 14.6-142.5-114.5 143.6 31.4 61.8 11.4 36 53 A V E +LM 28 87C 0 -8,-3.5 -8,-2.9 -2,-0.4 2,-0.2 -0.920 36.8 141.1-108.0 130.7 29.3 64.4 9.7 37 54 A S E - M 0 86C 0 49,-2.3 49,-2.5 -2,-0.5 2,-0.3 -0.684 50.0 -66.7-143.6-167.6 26.0 65.5 11.2 38 55 A A > - 0 0 0 -12,-0.4 3,-1.5 47,-0.3 47,-0.3 -0.770 28.4-132.5 -99.1 144.6 23.9 68.5 11.8 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.8 1,-0.3 -1,-0.1 0.808 108.2 61.9 -58.8 -35.1 24.7 71.5 14.0 40 57 A H G 3 S+ 0 0 62 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.628 94.7 64.0 -72.3 -5.0 21.3 71.3 15.5 41 58 A b G < S+ 0 0 4 -3,-1.5 -1,-0.3 2,-0.0 -2,-0.2 0.518 77.7 129.4 -90.4 -2.8 22.2 67.8 16.7 42 59 A Y < + 0 0 124 -3,-1.8 2,-0.3 -4,-0.1 -3,-0.0 -0.214 22.8 132.7 -53.2 135.5 24.9 69.3 18.9 43 60 A K - 0 0 59 0, 0.0 3,-0.3 0, 0.0 2,-0.1 -0.946 52.8 -99.2-165.9 169.2 24.9 68.2 22.6 44 61 A S S S+ 0 0 100 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.490 96.7 42.0 -83.8 165.9 27.4 67.0 25.1 45 62 A G S S+ 0 0 67 1,-0.2 2,-0.5 22,-0.1 -1,-0.2 0.825 74.2 174.1 74.1 35.5 27.8 63.4 26.0 46 63 A I - 0 0 7 -3,-0.3 21,-2.7 21,-0.1 2,-0.5 -0.596 15.9-169.5 -85.3 124.3 27.6 62.0 22.4 47 64 A Q E -KN 19 66C 51 -28,-2.4 -28,-3.0 -2,-0.5 2,-0.5 -0.953 15.6-143.8-105.3 125.8 28.2 58.3 21.8 48 65 A V E -KN 18 65C 0 17,-2.9 17,-2.7 -2,-0.5 2,-0.6 -0.750 9.9-159.0 -91.2 128.1 28.5 57.3 18.2 49 66 A R E -KN 17 64C 50 -32,-3.1 -32,-2.3 -2,-0.5 3,-0.3 -0.923 12.2-175.0-116.8 114.5 27.1 54.0 17.2 50 67 A L E + N 0 63C 2 13,-2.9 13,-1.7 -2,-0.6 -34,-0.1 -0.686 61.7 27.4-102.9 153.8 28.4 52.4 14.0 51 69 A G S S+ 0 0 4 -36,-0.5 2,-0.2 -38,-0.3 -1,-0.2 0.689 84.1 156.5 72.6 20.1 27.3 49.3 12.3 52 70 A E + 0 0 10 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.521 21.3 149.8 -83.0 141.7 23.8 49.5 13.6 53 71 A D S S+ 0 0 13 1,-0.3 2,-0.9 4,-0.2 -1,-0.2 0.402 80.9 34.1-121.8 -77.3 20.6 48.0 12.2 54 72 A N S > S- 0 0 25 80,-0.2 3,-1.2 1,-0.2 -1,-0.3 -0.717 72.4-166.2 -79.8 106.2 18.3 47.3 15.1 55 73 A I T 3 S+ 0 0 24 78,-2.8 -1,-0.2 -2,-0.9 79,-0.1 0.572 83.3 53.1 -70.3 -10.1 19.2 50.2 17.4 56 74 A N T 3 S+ 0 0 112 77,-0.3 2,-0.4 1,-0.1 -1,-0.2 0.447 107.1 53.7-104.7 -0.2 17.4 48.5 20.4 57 75 A V S < S- 0 0 75 -3,-1.2 2,-0.9 76,-0.2 -4,-0.2 -0.995 77.6-126.3-135.6 138.9 19.2 45.2 20.2 58 76 A V + 0 0 113 -2,-0.4 3,-0.1 1,-0.2 -3,-0.1 -0.773 40.3 160.4 -79.9 107.1 22.9 44.1 20.2 59 77 A E - 0 0 106 -2,-0.9 -1,-0.2 1,-0.3 2,-0.1 0.598 54.4 -91.5-103.6 -15.6 23.0 42.0 17.1 60 78 A G S S+ 0 0 32 -9,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.188 101.1 66.9 109.5 153.8 26.7 42.0 16.3 61 79 A N S S+ 0 0 69 1,-0.3 2,-0.1 -2,-0.1 -9,-0.0 0.261 71.5 135.0 81.6 -5.2 28.8 44.3 14.1 62 80 A E - 0 0 36 -13,-0.0 2,-0.3 2,-0.0 -1,-0.3 -0.420 35.2-170.9 -71.5 149.8 28.2 47.2 16.4 63 81 A Q E -N 50 0C 38 -13,-1.7 -13,-2.9 -3,-0.1 2,-0.6 -0.946 4.8-163.6-134.9 117.5 30.9 49.6 17.5 64 82 A F E +N 49 0C 82 -2,-0.3 2,-0.4 -15,-0.2 -15,-0.2 -0.920 17.6 170.1-100.3 119.2 30.1 52.2 20.2 65 83 A I E -N 48 0C 15 -17,-2.7 -17,-2.9 -2,-0.6 2,-0.1 -0.993 28.6-127.7-132.3 128.3 32.7 55.0 20.3 66 84 A S E -N 47 0C 58 -2,-0.4 25,-2.9 -19,-0.2 2,-0.4 -0.437 28.7-110.3 -72.3 148.5 32.4 58.2 22.3 67 85 A A E -O 90 0C 25 -21,-2.7 23,-0.3 23,-0.2 -22,-0.1 -0.637 22.3-167.7 -74.3 131.4 32.9 61.5 20.6 68 86 A S E S+ 0 0 61 21,-3.0 2,-0.3 -2,-0.4 22,-0.2 0.741 76.5 5.9 -87.3 -30.8 36.2 63.3 21.6 69 87 A K E -O 89 0C 72 20,-1.4 20,-2.5 -3,-0.1 2,-0.4 -0.993 55.5-158.5-153.5 152.2 35.0 66.5 20.0 70 88 A S E -O 88 0C 34 -2,-0.3 2,-0.8 18,-0.2 18,-0.3 -0.983 15.1-163.2-129.9 114.8 31.9 68.0 18.3 71 89 A I E -O 87 0C 34 16,-4.6 16,-2.7 -2,-0.4 2,-0.2 -0.858 1.6-162.5-113.1 102.0 32.6 70.9 16.0 72 90 A V E -O 86 0C 43 -2,-0.8 14,-0.2 14,-0.2 12,-0.1 -0.593 40.3 -93.2 -75.0 139.3 29.6 73.1 15.1 73 91 A H > - 0 0 24 12,-2.1 3,-2.7 10,-0.3 -1,-0.1 -0.340 33.3-132.5 -52.8 127.1 30.0 75.3 12.1 74 92 A P T 3 S+ 0 0 113 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.759 108.1 47.9 -60.3 -23.1 31.2 78.7 13.6 75 93 A S T 3 S+ 0 0 74 8,-0.1 -2,-0.1 2,-0.1 7,-0.1 0.210 80.0 137.8 -96.0 10.1 28.6 80.4 11.5 76 94 A Y < - 0 0 58 -3,-2.7 2,-0.5 9,-0.1 7,-0.2 -0.380 39.4-157.3 -56.7 135.5 25.7 78.0 12.4 77 95 A N > - 0 0 60 5,-2.0 4,-2.8 1,-0.1 5,-0.4 -0.983 10.1-163.9-124.2 119.3 22.5 80.0 13.0 78 96 A S T 4 S+ 0 0 80 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.634 87.4 55.4 -78.5 -18.2 20.0 78.3 15.1 79 97 A N T 4 S+ 0 0 141 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.880 126.8 16.7 -79.8 -45.3 17.2 80.6 14.1 80 98 A T T 4 S- 0 0 78 2,-0.1 -2,-0.2 76,-0.0 3,-0.1 0.608 95.1-130.1-104.6 -13.9 17.5 80.0 10.3 81 99 A L >< + 0 0 29 -4,-2.8 3,-1.0 1,-0.3 2,-0.2 0.640 47.5 160.4 66.6 21.7 19.6 76.8 10.3 82 100 A N T 3 + 0 0 35 -5,-0.4 -5,-2.0 1,-0.3 -1,-0.3 -0.555 68.8 19.1 -67.5 137.2 22.1 78.3 7.9 83 101 A N T 3 S+ 0 0 19 -7,-0.2 2,-2.2 -2,-0.2 -10,-0.3 0.866 79.6 176.4 64.5 41.9 25.3 76.3 8.1 84 102 A D < + 0 0 1 -3,-1.0 2,-0.3 75,-0.2 123,-0.2 -0.474 34.8 115.7 -76.8 69.4 23.5 73.4 9.7 85 103 A I - 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