==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 03-DEC-12 4I8L . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR Z.DAUTER,D.LIEBSCHNER,M.DAUTER,A.BRZUSZKIEWICZ . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9185.0 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 . 73 32.7 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 . 22 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 6.3 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 . 5 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,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 123.1 -8.1 -20.5 -14.5 2 17 A V B +A 171 0A 10 169,-3.0 169,-2.0 1,-0.2 123,-0.1 -0.885 360.0 7.5-101.9 131.4 -10.3 -19.7 -17.5 3 18 A G S S+ 0 0 49 121,-0.5 -1,-0.2 -2,-0.4 169,-0.1 0.660 102.8 115.0 77.7 18.0 -11.9 -22.6 -19.4 4 19 A G - 0 0 37 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 0.060 58.5-109.8-100.2-154.3 -10.8 -25.3 -16.9 5 20 A Y E -B 137 0B 97 132,-2.4 132,-2.7 -3,-0.1 2,-0.5 -0.936 34.6 -86.4-141.8 159.3 -12.5 -27.7 -14.6 6 21 A T E -B 136 0B 75 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.611 37.4-151.7 -69.7 119.4 -13.0 -28.2 -10.9 7 22 A a - 0 0 18 128,-1.9 -1,-0.2 -2,-0.5 129,-0.1 0.877 34.9-114.4 -59.8 -44.9 -9.9 -30.3 -9.9 8 23 A G > - 0 0 26 127,-0.5 3,-1.9 -3,-0.1 4,-0.3 0.008 47.0 -56.1 105.0 144.4 -11.5 -32.1 -7.0 9 24 A A T 3 S- 0 0 53 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.222 117.8 -11.6 -63.0 126.3 -10.5 -31.7 -3.4 10 25 A N T 3 S+ 0 0 25 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.669 91.6 126.1 62.7 23.8 -6.8 -32.5 -2.7 11 26 A T S < S+ 0 0 84 -3,-1.9 -2,-0.1 1,-0.2 -1,-0.1 0.561 74.7 49.8 -84.5 -7.9 -6.3 -34.0 -6.1 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-2.0 87,-0.1 -1,-0.2 -0.781 74.4 175.3-125.6 74.7 -3.3 -31.6 -6.7 13 28 A P T 3 S+ 0 0 31 0, 0.0 88,-1.6 0, 0.0 38,-0.3 0.642 72.0 56.0 -76.3 -10.0 -1.5 -32.2 -3.4 14 29 A Y T 3 S+ 0 0 20 86,-0.2 15,-2.4 88,-0.1 2,-0.4 0.460 82.1 108.6 -90.0 -8.9 1.5 -30.0 -4.2 15 30 A Q E < -J 28 0C 5 -3,-2.0 36,-0.4 13,-0.2 37,-0.4 -0.590 48.6-175.6 -73.8 127.9 -0.7 -26.9 -4.8 16 31 A V E -J 27 0C 1 11,-2.5 11,-1.2 -2,-0.4 2,-0.5 -0.875 20.4-137.6-118.1 158.1 -0.4 -24.3 -2.1 17 32 A S E -JK 26 49C 1 32,-2.3 32,-2.8 -2,-0.3 2,-0.5 -0.953 15.2-141.5-106.8 129.1 -2.2 -21.0 -1.6 18 33 A L E -JK 25 48C 0 7,-3.0 6,-2.5 -2,-0.5 7,-0.9 -0.845 25.2-166.8 -91.4 126.8 -0.1 -18.0 -0.4 19 34 A N E +JK 23 47C 17 28,-2.7 28,-2.7 -2,-0.5 4,-0.2 -0.956 31.5 166.3-125.8 129.6 -2.2 -16.0 2.1 20 37 A S S S- 0 0 32 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.285 97.8 -47.0-126.9 45.1 -1.6 -12.5 3.5 21 38 A G S S+ 0 0 69 26,-0.1 2,-0.3 1,-0.0 -2,-0.1 0.198 140.4 29.9 103.8 -8.5 -5.1 -12.2 5.0 22 39 A Y S S- 0 0 133 -4,-0.0 -2,-2.1 0, 0.0 2,-0.2 -0.925 101.7 -82.4-176.2 143.8 -6.4 -13.4 1.7 23 40 A H E +J 19 0C 37 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.504 51.8 157.7 -58.8 133.1 -5.3 -15.7 -1.1 24 41 A F E + 0 0 33 -6,-2.5 2,-0.3 1,-0.5 151,-0.2 0.515 57.2 2.1-132.1 -17.2 -3.1 -13.8 -3.4 25 42 A b E -J 18 0C 8 -7,-0.9 -7,-3.0 151,-0.1 -1,-0.5 -0.976 62.5-118.9-161.3 160.2 -0.9 -16.3 -5.4 26 43 A G E +J 17 0C 0 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.412 27.3 176.5 -91.4 178.8 -0.2 -20.0 -5.8 27 44 A G E -J 16 0C 0 -11,-1.2 -11,-2.5 -2,-0.1 2,-0.4 -0.951 24.8-116.4-169.1 176.0 2.9 -22.0 -5.2 28 45 A S E -JL 15 36C 0 8,-2.3 8,-2.6 -2,-0.3 2,-0.5 -0.992 20.2-129.1-131.0 130.5 4.2 -25.5 -5.3 29 46 A L E + L 0 35C 1 -15,-2.4 74,-2.4 -2,-0.4 6,-0.2 -0.665 28.4 172.4 -77.9 123.5 5.5 -27.6 -2.4 30 47 A I E - 0 0 19 4,-2.6 2,-0.3 -2,-0.5 5,-0.2 0.610 67.1 -9.1-111.4 -15.7 8.9 -29.1 -3.4 31 48 A N E > S- L 0 34C 48 3,-1.3 3,-0.8 70,-0.1 -1,-0.3 -0.936 88.2 -80.3-163.3 177.2 9.9 -30.6 0.0 32 49 A S T 3 S+ 0 0 39 -2,-0.3 62,-3.2 1,-0.2 60,-0.1 0.696 128.6 32.7 -59.9 -18.0 8.5 -30.5 3.6 33 50 A Q T 3 S+ 0 0 75 60,-0.2 57,-3.1 1,-0.1 2,-0.4 0.519 110.4 65.5-112.1 -12.3 10.2 -27.1 4.2 34 51 A W E < -LM 31 89C 0 -3,-0.8 -4,-2.6 55,-0.2 -3,-1.3 -0.959 47.3-169.8-136.7 140.3 10.1 -25.3 0.8 35 52 A V E -LM 29 88C 0 53,-2.6 53,-2.6 -2,-0.4 2,-0.4 -0.943 14.9-145.7-120.9 141.6 7.7 -23.8 -1.7 36 53 A V E +LM 28 87C 0 -8,-2.6 -8,-2.3 -2,-0.4 2,-0.2 -0.883 34.1 148.3-102.9 131.4 8.4 -22.5 -5.2 37 54 A S E - M 0 86C 0 49,-2.5 49,-2.2 -2,-0.4 2,-0.4 -0.780 49.9 -69.8-143.7-169.3 6.4 -19.5 -6.5 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 47,-0.3 -0.740 32.3-133.8 -89.0 140.2 6.8 -16.5 -8.8 39 56 A A G > S+ 0 0 2 -2,-0.4 3,-2.1 1,-0.3 -1,-0.1 0.838 106.2 65.3 -58.4 -32.0 9.0 -13.6 -7.7 40 57 A H G 3 S+ 0 0 69 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.651 94.1 62.4 -72.0 -8.0 6.3 -11.2 -8.7 41 58 A b G < S+ 0 0 5 -3,-1.7 -1,-0.3 -15,-0.1 -2,-0.2 0.386 77.3 130.7 -84.7 -4.2 4.3 -12.7 -5.8 42 59 A Y < + 0 0 131 -3,-2.1 2,-0.3 -4,-0.1 -3,-0.0 -0.318 20.7 138.9 -57.0 137.7 6.8 -11.6 -3.2 43 60 A K - 0 0 52 -2,-0.1 3,-0.3 0, 0.0 2,-0.1 -0.953 50.1-104.8-163.0 161.3 5.5 -9.8 -0.1 44 61 A S S S+ 0 0 92 -2,-0.3 25,-0.0 1,-0.2 0, 0.0 -0.462 95.2 42.1 -80.0 162.2 6.3 -10.0 3.6 45 62 A G S S+ 0 0 66 1,-0.2 2,-0.4 -2,-0.1 -1,-0.2 0.887 74.1 170.6 73.3 37.5 4.0 -11.7 6.0 46 63 A I - 0 0 8 -3,-0.3 21,-2.7 -26,-0.1 2,-0.5 -0.673 20.8-164.5 -84.3 133.4 3.2 -14.8 4.0 47 64 A Q E -KN 19 66C 51 -28,-2.7 -28,-2.7 -2,-0.4 2,-0.5 -0.977 17.4-141.2-108.2 125.9 1.2 -17.7 5.4 48 65 A V E -KN 18 65C 0 17,-2.9 17,-2.6 -2,-0.5 2,-0.6 -0.749 11.8-157.4 -86.2 129.8 1.5 -20.9 3.3 49 66 A R E -KN 17 64C 50 -32,-2.8 -32,-2.3 -2,-0.5 3,-0.3 -0.936 14.1-178.8-115.8 109.1 -1.7 -22.8 3.1 50 67 A L E + N 0 63C 2 13,-3.0 13,-2.0 -2,-0.6 -34,-0.1 -0.650 61.1 32.0 -97.1 160.2 -1.3 -26.5 2.2 51 69 A G S S+ 0 0 6 -36,-0.4 10,-0.3 -38,-0.3 2,-0.3 0.687 84.3 155.5 68.6 20.7 -4.0 -29.1 1.8 52 70 A E + 0 0 9 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.564 22.3 150.0 -86.4 143.6 -6.6 -26.6 0.5 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.7 4,-0.3 -1,-0.2 0.392 81.6 30.5-119.0 -83.0 -9.6 -27.1 -1.7 54 72 A N S > S- 0 0 28 80,-0.2 3,-1.2 1,-0.2 -1,-0.4 -0.690 72.4-160.1 -76.0 113.5 -12.1 -24.4 -0.7 55 73 A I T 3 S+ 0 0 30 78,-2.4 -1,-0.2 -2,-0.7 79,-0.1 0.544 88.6 51.3 -74.3 -5.9 -9.9 -21.5 0.4 56 74 A N T 3 S+ 0 0 121 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.352 105.5 58.4-109.5 3.1 -12.9 -20.0 2.3 57 75 A V S < S- 0 0 75 -3,-1.2 2,-0.7 76,-0.2 -4,-0.3 -1.000 77.5-128.5-135.7 132.7 -13.9 -23.1 4.3 58 76 A V + 0 0 118 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.733 34.5 171.2 -79.6 111.5 -11.9 -25.2 6.8 59 77 A E - 0 0 98 -2,-0.7 -1,-0.2 -5,-0.2 -7,-0.0 0.548 50.8 -99.3-105.4 -13.0 -12.5 -28.6 5.4 60 78 A G S S+ 0 0 60 -9,-0.0 -2,-0.1 0, 0.0 -8,-0.1 0.343 103.6 74.8 118.2 -7.0 -10.1 -30.7 7.5 61 79 A N + 0 0 62 -10,-0.3 -9,-0.1 38,-0.0 2,-0.1 0.346 66.7 121.1-116.4 5.7 -7.0 -31.3 5.5 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.330 39.9-167.9 -71.3 151.7 -5.3 -27.9 5.7 63 81 A Q E -N 50 0C 39 -13,-2.0 -13,-3.0 -2,-0.1 2,-0.6 -0.978 7.8-163.3-131.8 121.1 -1.9 -27.1 7.2 64 82 A F E +N 49 0C 77 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.942 16.5 170.6-105.7 120.1 -1.3 -23.4 7.7 65 83 A I E -N 48 0C 14 -17,-2.6 -17,-2.9 -2,-0.6 -2,-0.1 -0.993 28.6-127.8-136.3 124.4 2.4 -22.6 8.2 66 84 A S E -N 47 0C 50 -2,-0.4 25,-2.9 -19,-0.3 26,-0.3 -0.341 28.7-111.9 -65.2 147.9 4.0 -19.1 8.3 67 85 A A E -O 90 0C 19 -21,-2.7 23,-0.3 23,-0.2 3,-0.1 -0.620 23.7-169.9 -75.2 138.5 7.0 -18.4 6.0 68 86 A S E S+ 0 0 66 21,-2.8 2,-0.3 1,-0.3 22,-0.2 0.695 72.5 2.6 -93.3 -26.6 10.3 -17.9 7.8 69 87 A K E -O 89 0C 90 20,-1.2 20,-2.7 2,-0.0 2,-0.4 -0.983 57.3-157.8-158.6 143.9 12.2 -16.6 4.7 70 88 A S E -O 88 0C 38 -2,-0.3 2,-0.4 18,-0.2 18,-0.2 -0.992 7.8-163.2-129.1 145.3 11.6 -15.8 1.1 71 89 A I E -O 87 0C 36 16,-2.9 16,-2.4 -2,-0.4 2,-0.2 -0.954 5.1-158.1-130.5 101.8 14.3 -15.7 -1.5 72 90 A V E -O 86 0C 47 -2,-0.4 14,-0.2 14,-0.2 12,-0.1 -0.579 43.2 -86.9 -72.6 144.1 13.6 -13.9 -4.8 73 91 A H > - 0 0 23 12,-2.3 3,-1.9 10,-0.3 -1,-0.1 -0.212 35.5-121.4 -53.9 143.3 15.9 -15.1 -7.6 74 92 A P T 3 S+ 0 0 99 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.747 110.8 39.3 -59.3 -26.2 19.1 -13.1 -7.7 75 93 A S T 3 S+ 0 0 74 8,-0.1 -2,-0.1 2,-0.0 2,-0.1 0.188 79.2 142.9-112.7 16.9 18.4 -11.9 -11.3 76 94 A Y < - 0 0 54 -3,-1.9 2,-0.5 9,-0.1 7,-0.2 -0.368 31.2-164.5 -59.1 132.9 14.7 -11.3 -11.1 77 95 A N B >> -P 82 0D 67 5,-2.1 4,-2.1 1,-0.1 5,-0.5 -0.966 8.1-162.6-122.1 109.8 13.7 -8.2 -13.2 78 96 A S T 45S+ 0 0 76 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.644 86.9 58.0 -67.4 -19.3 10.2 -7.0 -12.3 79 97 A N T 45S+ 0 0 151 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.900 122.8 20.9 -77.1 -44.2 9.9 -5.0 -15.5 80 98 A T T 45S- 0 0 75 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.575 96.9-129.6 -96.2 -15.5 10.5 -7.9 -17.9 81 99 A L T ><5 + 0 0 32 -4,-2.1 3,-0.9 1,-0.3 2,-0.2 0.582 50.3 159.4 63.0 19.6 9.5 -10.7 -15.6 82 100 A N B 3 < +P 77 0D 37 -5,-0.5 -5,-2.1 1,-0.2 -1,-0.3 -0.474 67.3 15.2 -67.5 137.8 12.7 -12.5 -16.5 83 101 A N T 3 S+ 0 0 18 -7,-0.2 2,-2.1 1,-0.2 -10,-0.3 0.904 79.7 179.4 63.0 46.8 13.7 -15.0 -13.8 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 123,-0.2 -0.471 37.5 109.7 -83.2 77.0 10.2 -14.9 -12.2 85 103 A I + 0 0 0 -2,-2.1 -12,-2.3 -47,-0.3 2,-0.3 -0.997 37.3 174.1-151.3 143.6 10.8 -17.4 -9.5 86 104 A M E -MO 37 72C 0 -49,-2.2 -49,-2.5 -2,-0.3 2,-0.4 -0.974 21.4-135.1-146.1 160.5 11.2 -17.3 -5.7 87 105 A L E -MO 36 71C 0 -16,-2.4 -16,-2.9 -2,-0.3 2,-0.4 -0.924 13.6-161.6-115.4 142.5 11.6 -19.8 -2.9 88 106 A I E -MO 35 70C 0 -53,-2.6 -53,-2.6 -2,-0.4 2,-0.4 -0.995 6.9-151.3-126.7 124.6 9.7 -19.7 0.4 89 107 A K E -MO 34 69C 40 -20,-2.7 -21,-2.8 -2,-0.4 -20,-1.2 -0.809 16.2-131.6 -95.7 137.2 10.9 -21.5 3.5 90 108 A L E - 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