==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-MAR-10 3M35 . COMPND 2 MOLECULE: CATIONIC TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR R.S.ALEXANDER . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9271.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 138 61.9 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 . 18 8.1 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 . 14 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 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 . 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 16 A I 0 0 2 0, 0.0 2,-0.5 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 124.2 19.4 58.7 26.5 2 17 A V B +A 171 0A 10 169,-3.4 169,-1.9 1,-0.2 123,-0.1 -0.882 360.0 2.1-104.3 129.7 23.1 58.9 27.5 3 18 A G S S+ 0 0 43 121,-0.5 -1,-0.2 -2,-0.5 2,-0.1 0.780 102.6 121.1 70.4 27.9 24.3 56.6 30.3 4 19 A G - 0 0 35 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.214 55.7-112.8-104.7-160.8 21.0 54.9 30.8 5 20 A Y E -B 137 0B 102 132,-2.7 132,-3.8 -2,-0.1 2,-0.6 -0.903 34.6 -85.4-135.3 162.8 19.8 51.3 30.6 6 21 A T E -B 136 0B 70 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.576 34.9-151.0 -71.6 112.5 17.5 49.2 28.5 7 22 A a - 0 0 18 128,-1.5 -1,-0.2 -2,-0.6 129,-0.1 0.909 38.3-113.6 -47.4 -54.8 14.0 49.7 29.9 8 23 A G > - 0 0 25 127,-0.5 3,-2.2 -3,-0.1 4,-0.3 -0.046 48.1 -52.0 118.7 136.0 12.8 46.2 28.9 9 24 A A T 3 S- 0 0 56 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.083 120.4 -14.6 -42.7 117.5 10.1 45.5 26.3 10 25 A N T 3 S+ 0 0 32 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.695 90.3 130.2 60.0 26.5 6.9 47.5 27.0 11 26 A T S < S+ 0 0 83 -3,-2.2 -2,-0.1 1,-0.3 -1,-0.1 0.547 73.7 51.1 -84.7 -6.2 7.9 48.5 30.6 12 27 A V S > S+ 0 0 7 -4,-0.3 3,-1.5 87,-0.1 -1,-0.3 -0.747 72.5 176.5-127.9 76.9 7.0 52.1 29.8 13 28 A P T 3 S+ 0 0 35 0, 0.0 88,-1.3 0, 0.0 38,-0.3 0.634 74.0 55.1 -58.4 -20.0 3.5 51.6 28.4 14 29 A Y T 3 S+ 0 0 21 86,-0.2 15,-2.1 88,-0.1 2,-0.4 0.493 80.6 110.4 -94.5 -5.8 2.8 55.4 27.9 15 30 A Q E < -J 28 0C 5 -3,-1.5 36,-0.4 13,-0.2 37,-0.4 -0.558 47.4-173.9 -74.4 127.1 5.9 56.0 25.8 16 31 A V E -J 27 0C 2 11,-2.2 11,-1.1 -2,-0.4 2,-0.5 -0.826 18.3-139.0-119.6 161.0 5.2 56.8 22.1 17 32 A S E -JK 26 49C 1 32,-2.0 32,-2.6 -2,-0.3 2,-0.6 -0.980 12.6-142.1-119.7 125.3 7.4 57.4 19.1 18 33 A L E -JK 25 48C 0 7,-3.3 6,-2.2 -2,-0.5 7,-1.0 -0.801 28.4-167.7 -89.2 124.6 6.6 60.1 16.6 19 34 A N E +JK 23 47C 16 28,-2.8 28,-2.5 -2,-0.6 4,-0.2 -0.925 34.1 162.3-122.7 139.6 7.3 58.8 13.1 20 37 A S S S- 0 0 34 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.322 96.6 -47.4-143.9 51.2 7.7 60.4 9.7 21 38 A G S S+ 0 0 73 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.349 139.0 28.6 95.5 -3.7 9.6 57.7 7.8 22 39 A Y S S- 0 0 127 -4,-0.0 -2,-2.1 0, 0.0 2,-0.4 -0.935 100.5 -82.6-173.5 161.6 11.9 57.6 10.8 23 40 A H E +J 19 0C 31 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.655 50.2 156.4 -78.3 125.4 11.8 58.2 14.6 24 41 A F E + 0 0 30 -6,-2.2 2,-0.3 -2,-0.4 151,-0.2 0.581 59.6 5.6-124.3 -18.1 12.2 62.0 15.3 25 42 A b E -J 18 0C 8 -7,-1.0 -7,-3.3 151,-0.1 -1,-0.4 -0.990 60.0-126.0-160.7 163.2 10.6 62.5 18.7 26 43 A G E +J 17 0C 1 151,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.439 25.9 176.5-103.6-178.7 9.0 60.9 21.7 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.2 -2,-0.2 2,-0.4 -0.967 24.5-114.4-171.3 175.4 5.7 61.6 23.4 28 45 A S E -JL 15 36C 1 8,-2.2 8,-2.9 -2,-0.3 2,-0.6 -0.996 17.8-134.1-132.4 132.8 3.3 60.5 26.2 29 46 A L E + L 0 35C 0 -15,-2.1 74,-2.4 -2,-0.4 6,-0.2 -0.736 24.9 174.1 -84.1 120.0 -0.1 58.9 25.9 30 47 A I E - 0 0 21 4,-2.4 2,-0.3 -2,-0.6 5,-0.2 0.590 67.7 -11.3-103.0 -14.2 -2.4 60.7 28.4 31 48 A N E > S- L 0 34C 43 3,-1.1 3,-0.7 70,-0.1 -1,-0.3 -0.935 91.6 -71.3-167.0 177.3 -5.7 59.0 27.3 32 49 A S T 3 S+ 0 0 47 -2,-0.3 62,-2.9 1,-0.2 60,-0.1 0.679 128.7 24.3 -56.0 -21.7 -7.0 56.8 24.5 33 50 A Q T 3 S+ 0 0 60 60,-0.2 57,-2.6 1,-0.1 2,-0.4 0.412 109.2 75.0-125.5 1.9 -6.9 59.6 21.9 34 51 A W E < -LM 31 89C 12 -3,-0.7 -4,-2.4 55,-0.2 -3,-1.1 -0.958 45.9-174.4-128.8 139.2 -4.3 62.2 23.1 35 52 A V E -LM 29 88C 0 53,-2.5 53,-2.9 -2,-0.4 2,-0.4 -0.934 14.6-147.5-122.1 142.6 -0.6 62.4 23.2 36 53 A V E +LM 28 87C 2 -8,-2.9 -8,-2.2 -2,-0.4 2,-0.2 -0.947 32.9 144.9-112.5 133.4 1.5 65.1 24.8 37 54 A S E - M 0 86C 0 49,-2.7 49,-2.5 -2,-0.4 2,-0.3 -0.721 49.5 -63.2-145.8-164.9 4.9 66.1 23.3 38 55 A A > - 0 0 0 -12,-0.4 3,-1.7 47,-0.3 4,-0.3 -0.720 32.3-132.7 -96.3 144.3 7.1 69.1 22.7 39 56 A A G > S+ 0 0 4 -2,-0.3 3,-1.7 1,-0.3 -1,-0.1 0.857 106.6 59.9 -60.8 -37.3 6.1 72.0 20.5 40 57 A H G 3 S+ 0 0 68 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.494 94.2 66.6 -73.1 0.1 9.5 72.0 18.7 41 58 A b G < S+ 0 0 5 -3,-1.7 -1,-0.3 2,-0.0 -2,-0.2 0.546 77.0 125.7 -91.7 -11.8 8.7 68.4 17.6 42 59 A Y < + 0 0 118 -3,-1.7 2,-0.3 -4,-0.3 -3,-0.0 -0.118 24.4 128.4 -54.1 142.8 5.8 69.7 15.4 43 60 A K - 0 0 56 3,-0.0 3,-0.2 0, 0.0 2,-0.1 -0.941 53.3 -88.0-177.0 171.2 5.7 68.9 11.7 44 61 A S S S+ 0 0 97 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.358 97.5 39.3 -87.9 173.3 3.2 67.4 9.2 45 62 A G S S+ 0 0 65 1,-0.2 2,-0.5 -2,-0.1 -1,-0.2 0.916 75.3 170.3 53.7 50.8 2.8 63.8 8.3 46 63 A I - 0 0 12 -3,-0.2 21,-2.1 21,-0.2 2,-0.5 -0.826 17.7-170.1 -98.8 128.2 3.1 62.5 11.8 47 64 A Q E -KN 19 66C 53 -28,-2.5 -28,-2.8 -2,-0.5 2,-0.5 -0.969 17.1-140.2-114.5 126.8 2.3 58.9 12.6 48 65 A V E -KN 18 65C 0 17,-3.5 17,-2.9 -2,-0.5 2,-0.6 -0.777 13.5-159.4 -89.7 127.7 2.1 58.0 16.3 49 65AA R E -KN 17 64C 50 -32,-2.6 -32,-2.0 -2,-0.5 3,-0.3 -0.931 12.9-176.9-113.2 114.0 3.6 54.6 17.1 50 66 A L E + N 0 63C 2 13,-2.8 13,-1.7 -2,-0.6 -34,-0.1 -0.674 60.1 31.1-106.0 160.3 2.5 53.0 20.4 51 69 A G S S+ 0 0 7 -36,-0.4 10,-0.3 -38,-0.3 2,-0.2 0.792 85.2 157.4 64.1 30.1 3.5 49.7 22.1 52 70 A E + 0 0 13 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.553 22.0 149.9 -89.3 146.6 7.0 50.1 20.7 53 71 A D S S+ 0 0 14 1,-0.3 2,-0.9 4,-0.2 -1,-0.1 0.295 79.6 30.2-131.4 -80.4 10.3 48.6 22.0 54 72 A N S > S- 0 0 26 80,-0.2 3,-1.1 3,-0.2 -1,-0.3 -0.760 74.4-160.3 -83.2 107.2 12.7 48.0 19.0 55 73 A I T 3 S+ 0 0 29 78,-2.6 -1,-0.1 -2,-0.9 79,-0.1 0.525 83.4 55.3 -71.2 -2.5 11.6 50.8 16.6 56 74 A N T 3 S+ 0 0 109 77,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.518 103.7 53.8-104.7 -8.3 13.1 49.0 13.6 57 75 A V S < S- 0 0 80 -3,-1.1 2,-0.6 76,-0.1 -4,-0.2 -0.988 78.8-124.4-131.6 133.1 11.4 45.6 13.8 58 76 A V + 0 0 115 -2,-0.4 -3,-0.1 1,-0.2 -6,-0.0 -0.634 37.7 168.4 -73.9 117.0 7.7 44.7 14.0 59 77 A E - 0 0 103 -2,-0.6 -1,-0.2 -5,-0.1 -7,-0.0 0.637 53.4 -89.7-105.9 -20.6 7.6 42.6 17.1 60 78 A G S S+ 0 0 57 -9,-0.1 -2,-0.1 0, 0.0 -8,-0.1 0.264 106.7 66.8 134.8 -18.6 3.9 42.2 17.9 61 79 A N + 0 0 63 -10,-0.3 -9,-0.1 38,-0.0 -3,-0.0 0.336 67.2 124.7-116.9 9.3 2.5 44.9 20.2 62 80 A E - 0 0 34 -13,-0.0 2,-0.4 2,-0.0 -11,-0.2 -0.302 37.0-169.3 -71.7 151.2 2.7 47.9 17.9 63 81 A Q E -N 50 0C 37 -13,-1.7 -13,-2.8 2,-0.1 2,-0.6 -0.956 7.0-161.3-139.8 114.8 -0.2 50.2 17.1 64 82 A F E +N 49 0C 81 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.907 17.6 170.5-102.2 122.8 0.4 52.7 14.3 65 83 A I E -N 48 0C 16 -17,-2.9 -17,-3.5 -2,-0.6 2,-0.1 -0.998 29.2-125.5-137.0 134.0 -2.1 55.6 14.3 66 84 A S E -N 47 0C 52 -2,-0.4 25,-2.9 -19,-0.3 2,-0.4 -0.452 27.4-115.5 -75.3 148.4 -2.0 58.8 12.3 67 85 A A E -O 90 0C 18 -21,-2.1 23,-0.3 23,-0.2 -21,-0.2 -0.697 22.7-167.5 -81.2 132.3 -2.3 62.2 14.1 68 86 A S E S+ 0 0 56 21,-3.2 2,-0.3 -2,-0.4 22,-0.2 0.691 73.2 4.4 -92.8 -20.9 -5.5 63.9 13.1 69 87 A K E -O 89 0C 89 20,-1.3 20,-3.0 -3,-0.1 2,-0.5 -0.960 58.5-153.9-163.9 141.5 -4.5 67.2 14.6 70 88 A S E -O 88 0C 33 -2,-0.3 2,-0.7 18,-0.2 18,-0.2 -0.984 10.7-162.9-123.0 122.0 -1.5 68.7 16.3 71 89 A I E -O 87 0C 31 16,-3.8 16,-2.4 -2,-0.5 2,-0.3 -0.861 2.7-165.6-111.9 100.6 -2.0 71.6 18.7 72 90 A V E -O 86 0C 43 -2,-0.7 14,-0.2 14,-0.2 12,-0.1 -0.650 40.8 -96.1 -81.0 134.8 1.2 73.6 19.5 73 91 A H > - 0 0 24 12,-2.0 3,-2.0 -2,-0.3 -1,-0.1 -0.296 32.2-130.7 -52.0 127.1 0.7 75.9 22.6 74 92 A P T 3 S+ 0 0 108 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.710 104.9 50.3 -55.2 -23.2 -0.2 79.3 21.1 75 93 A S T 3 S+ 0 0 73 8,-0.1 2,-0.2 2,-0.1 -2,-0.1 0.142 77.3 134.5-103.9 19.1 2.4 81.1 23.3 76 94 A Y < - 0 0 52 -3,-2.0 2,-0.5 9,-0.1 7,-0.2 -0.525 39.6-160.0 -69.6 131.6 5.3 78.8 22.3 77 95 A N B >>> -P 82 0D 66 5,-1.8 4,-2.4 -2,-0.2 3,-0.6 -0.960 11.0-162.6-118.1 114.1 8.4 80.8 21.4 78 96 A S T 345S+ 0 0 79 -2,-0.5 -1,-0.1 1,-0.2 -2,-0.0 0.602 90.0 57.8 -70.4 -11.3 11.0 79.0 19.3 79 97 A N T 345S+ 0 0 146 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.756 122.8 21.6 -89.0 -26.6 13.7 81.5 20.3 80 98 A T T <45S- 0 0 70 -3,-0.6 -2,-0.2 2,-0.1 77,-0.1 0.512 95.0-130.8-115.0 -11.5 13.4 80.9 24.0 81 99 A L T ><5 + 0 0 39 -4,-2.4 3,-0.7 1,-0.2 2,-0.2 0.644 52.3 157.0 66.1 16.8 11.8 77.5 24.0 82 100 A N B 3 < +P 77 0D 34 -5,-0.6 -5,-1.8 1,-0.2 -1,-0.2 -0.504 62.1 15.9 -73.9 141.6 9.2 78.8 26.5 83 101 A N T 3 S+ 0 0 20 -7,-0.2 2,-1.8 1,-0.2 -1,-0.2 0.927 78.6 176.9 61.2 47.1 5.9 76.9 26.5 84 102 A D < + 0 0 0 -3,-0.7 2,-0.3 75,-0.2 -1,-0.2 -0.570 33.6 114.1 -85.0 77.9 7.5 73.9 24.7 85 103 A I - 0 0 0 -2,-1.8 -12,-2.0 -47,-0.3 2,-0.3 -0.995 38.5-177.3-148.6 146.1 4.4 71.7 24.7 86 104 A M E -MO 37 72C 0 -49,-2.5 -49,-2.7 -2,-0.3 2,-0.4 -0.994 16.4-143.2-145.8 145.5 2.1 70.3 22.1 87 105 A L E -MO 36 71C 0 -16,-2.4 -16,-3.8 -2,-0.3 2,-0.5 -0.934 14.1-163.2-111.2 135.6 -1.0 68.1 22.1 88 106 A I E -MO 35 70C 0 -53,-2.9 -53,-2.5 -2,-0.4 2,-0.5 -0.978 6.3-151.5-121.9 125.7 -1.6 65.5 19.4 89 107 A K E -MO 34 69C 43 -20,-3.0 -21,-3.2 -2,-0.5 -20,-1.3 -0.822 17.7-132.0 -96.2 131.7 -5.0 64.0 18.7 90 108 A L E - O 0 67C 0 -57,-2.6 -23,-0.2 -2,-0.5 3,-0.1 -0.560 14.2-125.2 -81.5 146.6 -5.1 60.5 17.3 91 109 A K S S+ 0 0 128 -25,-2.9 2,-0.3 -2,-0.2 -1,-0.1 0.841 97.0 8.1 -57.5 -36.7 -7.3 59.7 14.2 92 110 A S S S- 0 0 68 -26,-0.3 -1,-0.1 -60,-0.1 -24,-0.0 -0.965 97.1 -87.1-142.3 155.4 -8.9 56.9 16.2 93 111 A A - 0 0 51 -2,-0.3 -60,-0.2 1,-0.1 2,-0.2 -0.289 44.4-117.5 -63.6 146.9 -8.6 55.8 19.9 94 112 A A - 0 0 8 -62,-2.9 2,-1.0 -63,-0.1 -1,-0.1 -0.538 25.8-110.8 -83.5 153.2 -5.8 53.5 20.7 95 113 A S - 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