==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER SERINE PROTEASE 16-MAY-97 1MTU . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BOS TAURUS; . AUTHOR M.T.STUBBS . 223 1 6 6 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9242.0 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 . 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 . 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 . 20 9.0 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 . 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 3 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 125.7 -3.6 9.3 10.9 2 17 A V B +A 171 0A 9 169,-3.1 169,-1.7 1,-0.2 123,-0.1 -0.880 360.0 4.2-102.2 131.8 -7.3 10.3 11.1 3 18 A G S S+ 0 0 47 121,-0.5 -1,-0.2 -2,-0.4 169,-0.1 0.702 102.6 122.4 70.8 21.3 -8.4 13.2 8.9 4 19 A G - 0 0 35 -3,-0.3 2,-0.3 167,-0.1 134,-0.2 -0.064 55.0-115.9 -97.0-158.3 -5.1 13.5 7.1 5 20 A Y E -B 137 0B 94 132,-2.6 132,-3.2 -3,-0.1 2,-0.5 -0.931 34.0 -85.5-140.7 161.1 -4.0 13.3 3.5 6 21 A T E -B 136 0B 73 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.575 36.7-151.2 -69.4 119.5 -1.8 11.2 1.3 7 22 A a - 0 0 18 128,-2.0 -1,-0.2 -2,-0.5 129,-0.1 0.895 35.5-113.5 -58.3 -47.3 1.7 12.6 1.7 8 23 A G > - 0 0 25 127,-0.5 3,-2.0 -3,-0.1 4,-0.3 0.056 48.4 -55.0 112.8 135.0 3.0 11.6 -1.7 9 24 A A T 3 S- 0 0 57 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.128 118.3 -12.7 -47.6 121.7 5.8 9.0 -2.2 10 25 A N T 3 S+ 0 0 35 42,-0.3 -1,-0.3 2,-0.1 43,-0.1 0.654 90.1 128.7 60.7 22.6 9.0 9.8 -0.3 11 26 A T S < S+ 0 0 83 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.579 75.1 49.0 -81.0 -9.3 8.0 13.3 0.6 12 27 A V S > S+ 0 0 8 -4,-0.3 3,-2.0 87,-0.1 -1,-0.3 -0.673 73.8 175.7-127.5 73.2 8.8 12.6 4.3 13 28 A P T 3 S+ 0 0 33 0, 0.0 88,-1.2 0, 0.0 38,-0.3 0.600 73.0 57.1 -56.8 -19.3 12.3 11.0 3.7 14 29 A Y T 3 S+ 0 0 22 86,-0.2 15,-2.2 88,-0.1 2,-0.2 0.506 79.7 112.6 -92.2 -6.8 13.0 10.6 7.5 15 30 A Q E < -J 28 0C 5 -3,-2.0 36,-0.5 13,-0.2 37,-0.4 -0.494 48.0-169.1 -71.1 134.3 9.9 8.5 8.1 16 31 A V E -J 27 0C 0 11,-2.3 11,-1.1 -2,-0.2 2,-0.5 -0.884 15.4-144.8-123.2 150.6 10.7 4.9 9.1 17 32 A S E -JK 26 49C 0 32,-2.1 32,-2.8 -2,-0.3 2,-0.6 -0.979 12.6-145.5-116.2 126.5 8.4 1.9 9.5 18 33 A L E -JK 25 48C 0 7,-3.2 6,-2.4 -2,-0.5 7,-1.1 -0.856 25.8-169.3 -92.2 125.4 9.3 -0.7 12.2 19 34 A N E +JK 23 47C 16 28,-2.8 28,-2.4 -2,-0.6 4,-0.2 -0.943 33.9 165.4-125.9 138.6 8.4 -4.2 11.0 20 37 A S S S- 0 0 35 2,-2.0 3,-0.1 -2,-0.4 26,-0.1 -0.323 96.9 -47.2-139.1 48.0 8.2 -7.6 12.6 21 38 A G S S+ 0 0 73 26,-0.1 2,-0.3 1,-0.1 -2,-0.1 0.360 139.4 29.2 98.0 -2.6 6.3 -9.4 9.8 22 39 A Y S S- 0 0 133 -4,-0.0 -2,-2.0 0, 0.0 2,-0.4 -0.915 102.5 -81.2-174.0 159.5 3.9 -6.4 9.7 23 40 A H E +J 19 0C 29 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.634 50.8 158.2 -75.3 126.4 4.1 -2.6 10.4 24 41 A F E + 0 0 31 -6,-2.4 2,-0.3 -2,-0.4 151,-0.2 0.595 58.7 6.1-124.0 -17.7 3.8 -2.0 14.1 25 42 A b E -J 18 0C 6 -7,-1.1 -7,-3.2 151,-0.1 -1,-0.4 -0.988 60.0-126.4-161.3 161.4 5.3 1.5 14.7 26 43 A G E +J 17 0C 1 151,-3.1 12,-0.4 -2,-0.3 2,-0.3 -0.479 26.7 177.1-102.5 178.7 6.8 4.5 13.1 27 44 A G E -J 16 0C 0 -11,-1.1 -11,-2.3 -2,-0.2 2,-0.4 -0.969 24.6-115.1-170.1 172.0 10.2 6.2 13.7 28 45 A S E -JL 15 36C 1 8,-2.4 8,-2.6 -2,-0.3 2,-0.6 -0.989 19.0-133.3-127.7 131.7 12.5 8.9 12.6 29 46 A L E + L 0 35C 0 -15,-2.2 74,-2.5 -2,-0.4 6,-0.2 -0.712 26.9 172.6 -81.1 121.2 15.9 8.6 11.0 30 47 A I E - 0 0 18 4,-2.3 2,-0.3 -2,-0.6 5,-0.2 0.558 67.1 -8.8-106.6 -14.4 18.3 11.1 12.8 31 48 A N E > S- L 0 34C 46 3,-1.1 3,-0.6 70,-0.1 -1,-0.3 -0.925 91.5 -74.8-164.6 177.7 21.6 10.0 11.2 32 49 A S T 3 S+ 0 0 49 -2,-0.3 62,-3.5 1,-0.2 60,-0.1 0.690 128.0 24.2 -60.9 -17.1 22.8 7.2 8.9 33 50 A Q T 3 S+ 0 0 58 60,-0.2 57,-2.9 1,-0.1 2,-0.4 0.409 109.3 74.6-130.3 5.4 22.7 4.6 11.7 34 51 A W E < -LM 31 89C 12 -3,-0.6 -4,-2.3 55,-0.2 -3,-1.1 -0.964 47.1-172.8-130.9 139.2 20.3 5.7 14.3 35 52 A V E -LM 29 88C 0 53,-2.7 53,-3.1 -2,-0.4 2,-0.4 -0.930 13.6-147.3-123.7 142.1 16.5 5.9 14.5 36 53 A V E +LM 28 87C 0 -8,-2.6 -8,-2.4 -2,-0.4 2,-0.2 -0.937 32.3 147.1-111.2 133.8 14.4 7.5 17.3 37 54 A S E - M 0 86C 0 49,-3.0 49,-2.5 -2,-0.4 2,-0.3 -0.741 49.6 -65.9-144.7-166.9 11.0 6.0 18.2 38 55 A A > - 0 0 0 -12,-0.4 3,-1.8 47,-0.3 47,-0.3 -0.743 32.4-133.1 -94.3 142.0 8.7 5.5 21.2 39 56 A A G > S+ 0 0 3 -2,-0.3 3,-1.9 1,-0.3 -1,-0.1 0.838 106.2 64.4 -61.4 -31.1 9.8 3.2 24.1 40 57 A H G 3 S+ 0 0 64 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.542 92.6 64.3 -71.9 -2.9 6.3 1.6 24.0 41 58 A b G < S+ 0 0 5 -3,-1.8 -1,-0.3 -15,-0.0 -2,-0.2 0.413 74.6 132.8 -94.5 -3.4 7.2 0.3 20.6 42 59 A Y < + 0 0 127 -3,-1.9 2,-0.3 -4,-0.1 -3,-0.0 -0.257 21.9 142.5 -54.7 135.2 10.0 -1.9 22.0 43 60 A K - 0 0 54 0, 0.0 3,-0.3 0, 0.0 2,-0.2 -0.956 48.3-108.5-165.1 156.3 10.1 -5.4 20.7 44 61 A S S S+ 0 0 93 -2,-0.3 0, 0.0 1,-0.2 0, 0.0 -0.599 96.2 40.0 -89.4 158.9 12.8 -8.0 19.8 45 62 A G S S+ 0 0 67 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.929 76.3 171.2 70.6 46.4 13.2 -8.9 16.1 46 63 A I - 0 0 10 -3,-0.3 21,-2.3 21,-0.1 2,-0.5 -0.779 19.1-166.4 -94.9 128.3 12.8 -5.4 14.7 47 64 A Q E -KN 19 66C 54 -28,-2.4 -28,-2.8 -2,-0.5 2,-0.5 -0.967 16.3-141.7-111.3 126.9 13.5 -4.7 11.0 48 65 A V E -KN 18 65C 0 17,-3.3 17,-2.9 -2,-0.5 2,-0.6 -0.811 12.3-159.1 -91.8 125.9 13.8 -1.0 10.1 49 66 A R E -KN 17 64C 50 -32,-2.8 -32,-2.1 -2,-0.5 3,-0.3 -0.941 11.9-174.8-112.9 111.0 12.2 -0.2 6.7 50 67 A L E + N 0 63C 2 13,-2.9 13,-1.7 -2,-0.6 -34,-0.1 -0.645 61.2 27.9 -99.3 160.7 13.4 3.1 5.1 51 69 A G S S+ 0 0 7 -36,-0.5 2,-0.2 -38,-0.3 -1,-0.2 0.742 84.4 156.4 61.1 29.7 12.3 4.8 2.0 52 70 A E + 0 0 10 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.550 21.5 150.7 -90.0 145.4 8.8 3.4 2.2 53 71 A D S S+ 0 0 15 1,-0.4 2,-0.8 4,-0.2 -1,-0.2 0.327 79.0 33.2-128.4 -78.1 5.5 4.6 0.7 54 72 A N S > S- 0 0 23 80,-0.2 3,-0.8 1,-0.2 -1,-0.4 -0.739 73.4-160.9 -82.7 112.0 3.2 1.7 0.1 55 73 A I T 3 S+ 0 0 31 78,-2.8 -1,-0.2 -2,-0.8 79,-0.1 0.637 84.2 52.2 -72.3 -7.0 4.1 -0.7 2.9 56 74 A N T 3 S+ 0 0 118 77,-0.2 2,-0.3 1,-0.0 -1,-0.2 0.593 104.8 54.8-104.6 -11.0 2.7 -3.8 1.1 57 75 A V S < S- 0 0 78 -3,-0.8 2,-0.8 76,-0.1 -4,-0.2 -0.935 77.3-126.7-124.3 141.5 4.4 -3.5 -2.3 58 76 A V + 0 0 116 -2,-0.3 3,-0.1 1,-0.2 -3,-0.1 -0.827 39.4 162.6 -85.4 112.6 8.1 -3.3 -3.2 59 77 A E - 0 0 104 -2,-0.8 -1,-0.2 1,-0.3 2,-0.1 0.480 53.6 -92.9-109.1 -7.3 8.2 -0.2 -5.4 60 78 A G S S+ 0 0 35 -9,-0.0 -1,-0.3 0, 0.0 3,-0.1 -0.144 100.8 68.3 104.8 152.7 11.9 0.6 -5.3 61 79 A N + 0 0 72 1,-0.3 2,-0.1 -2,-0.1 -9,-0.0 0.260 69.6 132.2 85.5 -9.0 13.8 3.0 -2.9 62 80 A E - 0 0 34 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.426 37.2-168.0 -75.6 148.9 13.2 0.7 0.1 63 81 A Q E -N 50 0C 39 -13,-1.7 -13,-2.9 -2,-0.1 2,-0.6 -0.976 4.2-161.9-137.9 116.6 16.1 -0.2 2.4 64 82 A F E +N 49 0C 85 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.929 17.4 170.9-103.2 118.5 15.5 -3.0 4.9 65 83 A I E -N 48 0C 19 -17,-2.9 -17,-3.3 -2,-0.6 2,-0.1 -0.994 29.5-125.4-133.1 131.8 18.0 -3.0 7.8 66 84 A S E -N 47 0C 56 -2,-0.4 25,-2.8 -19,-0.2 2,-0.3 -0.451 28.8-113.4 -72.4 147.4 17.9 -5.1 10.9 67 85 A A E -O 90 0C 20 -21,-2.3 23,-0.3 23,-0.2 3,-0.1 -0.666 22.2-165.6 -79.1 132.7 18.1 -3.3 14.3 68 86 A S E S- 0 0 52 21,-3.2 2,-0.3 1,-0.4 22,-0.2 0.783 73.1 -4.9 -87.8 -33.1 21.4 -4.2 16.0 69 87 A K E -O 89 0C 88 20,-1.3 20,-2.8 2,-0.0 2,-0.5 -0.970 56.8-149.5-161.5 144.1 20.2 -2.8 19.4 70 88 A S E -O 88 0C 34 -2,-0.3 2,-0.6 18,-0.2 18,-0.2 -0.983 12.3-160.4-118.4 127.4 17.2 -0.9 20.9 71 89 A I E -O 87 0C 33 16,-3.4 16,-2.3 -2,-0.5 2,-0.3 -0.907 4.2-162.9-114.4 100.1 17.8 1.4 23.8 72 90 A V E -O 86 0C 47 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.652 40.3 -94.3 -78.8 136.1 14.7 2.2 25.8 73 91 A H > - 0 0 23 12,-2.1 3,-2.2 -2,-0.3 -1,-0.1 -0.333 33.0-129.4 -52.8 128.1 15.1 5.2 28.1 74 92 A P T 3 S+ 0 0 110 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.743 106.1 47.8 -52.0 -29.7 16.2 3.9 31.5 75 93 A S T 3 S+ 0 0 78 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.194 78.3 137.3-100.4 16.1 13.4 5.9 33.3 76 94 A Y < - 0 0 58 -3,-2.2 2,-0.6 9,-0.1 7,-0.2 -0.411 39.6-156.3 -63.8 132.6 10.6 5.0 31.0 77 95 A N > - 0 0 67 5,-1.9 4,-2.5 -2,-0.1 5,-0.4 -0.961 6.8-156.7-115.7 115.7 7.4 4.2 32.9 78 96 A S T 4 S+ 0 0 83 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.630 90.5 48.8 -66.7 -15.4 4.9 1.9 31.1 79 97 A N T 4 S+ 0 0 149 1,-0.1 -1,-0.2 3,-0.1 -2,-0.0 0.840 123.7 26.8 -92.5 -38.3 1.9 3.1 33.1 80 98 A T T 4 S- 0 0 69 2,-0.1 -2,-0.2 -3,-0.1 77,-0.1 0.650 93.7-136.5 -95.5 -20.0 2.3 6.9 32.8 81 99 A L >< + 0 0 29 -4,-2.5 3,-0.9 1,-0.3 2,-0.2 0.655 46.8 158.2 67.6 19.5 4.3 6.8 29.5 82 100 A N T 3 + 0 0 35 -5,-0.4 -5,-1.9 1,-0.3 -1,-0.3 -0.536 66.4 18.4 -72.0 139.7 6.7 9.4 30.9 83 101 A N T 3 S+ 0 0 19 1,-0.2 2,-2.1 -7,-0.2 -10,-0.3 0.878 79.5 174.4 64.9 41.5 10.0 9.2 29.0 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.518 32.3 117.8 -80.8 77.6 8.4 7.4 26.1 85 103 A I - 0 0 0 -2,-2.1 -12,-2.1 -47,-0.3 2,-0.3 -0.998 36.6-179.4-147.2 140.3 11.5 7.5 23.9 86 104 A M E -MO 37 72C 0 -49,-2.5 -49,-3.0 -2,-0.3 2,-0.4 -0.998 15.6-146.7-143.7 140.9 13.7 4.8 22.4 87 105 A L E -MO 36 71C 0 -16,-2.3 -16,-3.4 -2,-0.3 2,-0.5 -0.908 12.0-161.4-108.7 136.4 16.8 4.8 20.2 88 106 A I E -MO 35 70C 0 -53,-3.1 -53,-2.7 -2,-0.4 2,-0.5 -0.977 5.4-152.4-120.9 126.6 17.5 2.1 17.6 89 107 A K E -MO 34 69C 49 -20,-2.8 -21,-3.2 -2,-0.5 -20,-1.3 -0.863 19.4-130.3 -98.4 131.5 20.9 1.5 16.2 90 108 A L E - O 0 67C 0 -57,-2.9 -23,-0.2 -2,-0.5 -24,-0.1 -0.559 10.2-130.0 -79.8 146.0 21.0 -0.1 12.6 91 109 A K S S+ 0 0 120 -25,-2.8 2,-0.3 -2,-0.2 -1,-0.1 0.858 97.3 15.7 -61.7 -36.0 23.1 -3.1 11.9 92 110 A S S S- 0 0 72 -26,-0.3 2,-0.1 -60,-0.1 -1,-0.1 -0.941 97.0 -94.8-134.8 154.1 24.5 -1.2 8.9 93 111 A A - 0 0 56 -2,-0.3 -60,-0.2 1,-0.1 -61,-0.1 -0.457 42.5-116.1 -72.0 141.4 24.4 2.5 8.0 94 112 A A - 0 0 9 -62,-3.5 2,-0.9 -2,-0.1 -1,-0.1 -0.389 24.1-113.1 -73.1 154.7 21.6 3.5 5.7 95 113 A S - 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