==== 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 PROTEINASE 16-MAY-97 1MTS . 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) . 9236.0 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 . 70 31.4 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 1 6 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 0.000 360.0 360.0 360.0 126.1 -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 4.5-102.4 131.7 -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 0.703 102.6 122.5 71.3 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 -0.067 55.0-116.1 -97.2-158.2 -5.1 13.5 7.1 5 20 A Y E -B 137 0B 95 132,-2.5 132,-3.2 -3,-0.1 2,-0.5 -0.930 34.2 -85.6-140.8 160.8 -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 -0.574 36.6-150.9 -69.3 120.0 -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 35.5-113.6 -58.7 -47.2 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 0.050 48.5 -54.8 112.8 135.5 3.0 11.6 -1.7 9 24 A A T 3 S- 0 0 58 1,-0.3 44,-0.1 2,-0.1 43,-0.0 -0.134 118.2 -12.9 -47.9 121.4 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 0.659 90.0 128.8 60.7 23.0 9.0 9.8 -0.3 11 26 A T S < S+ 0 0 84 -3,-2.0 -2,-0.1 1,-0.3 -1,-0.1 0.577 75.0 49.2 -81.4 -9.2 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 -0.675 73.8 175.8-127.5 73.4 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 0.598 73.2 56.8 -56.6 -19.7 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 0.499 79.7 112.7 -92.5 -6.7 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 -0.496 48.1-168.9 -70.9 134.3 9.9 8.5 8.2 16 31 A V E -JK 27 50C 0 11,-2.3 11,-1.1 -2,-0.2 2,-0.5 -0.888 15.6-144.7-123.4 150.8 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 12.6-145.6-116.2 126.3 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 -0.857 25.9-169.5 -92.1 125.4 9.3 -0.7 12.2 19 34 A N E +JK 23 47C 16 28,-2.8 28,-2.5 -2,-0.6 4,-0.2 -0.944 33.8 165.4-126.4 138.4 8.4 -4.2 11.0 20 37 A S S S- 0 0 34 2,-2.1 3,-0.1 -2,-0.4 26,-0.1 -0.329 96.9 -47.0-139.2 48.5 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 0.371 139.4 28.5 98.0 -2.2 6.3 -9.4 9.8 22 39 A Y S S- 0 0 132 -4,-0.0 -2,-2.1 0, 0.0 2,-0.4 -0.912 102.4 -80.7-174.8 159.8 3.9 -6.4 9.6 23 40 A H E +J 19 0C 30 -2,-0.3 -4,-0.2 -4,-0.2 3,-0.1 -0.636 50.8 157.8 -75.6 126.5 4.1 -2.6 10.4 24 41 A F E + 0 0 30 -6,-2.4 2,-0.3 -2,-0.4 151,-0.2 0.590 58.9 6.2-124.4 -17.8 3.7 -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 59.9-126.9-161.2 161.3 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 -0.476 26.4 177.3-102.8 179.3 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 -0.968 24.6-114.7-170.5 172.0 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 -0.988 19.1-133.2-127.5 131.9 12.5 9.0 12.6 29 46 A L E + L 0 35C 0 -15,-2.2 74,-2.5 -2,-0.4 6,-0.2 -0.713 26.9 172.5 -81.3 121.6 15.9 8.6 11.0 30 47 A I E - 0 0 20 4,-2.4 2,-0.3 -2,-0.6 5,-0.2 0.563 67.1 -8.6-106.8 -15.1 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 -0.923 91.5 -75.1-163.9 177.9 21.6 10.0 11.2 32 49 A S T 3 S+ 0 0 48 -2,-0.3 62,-3.5 1,-0.2 60,-0.1 0.694 128.0 24.5 -61.0 -17.8 22.8 7.2 8.9 33 50 A Q T 3 S+ 0 0 58 60,-0.2 57,-2.8 1,-0.1 2,-0.4 0.407 109.3 74.5-129.5 5.6 22.7 4.6 11.7 34 51 A W E < -LM 31 89C 12 -3,-0.6 -4,-2.4 55,-0.2 -3,-1.1 -0.965 47.1-172.9-131.1 139.1 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 -0.932 13.5-147.5-123.6 141.8 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 -0.933 32.3 147.0-111.0 134.1 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 -0.747 49.7 -65.5-145.3-167.3 11.0 6.0 18.2 38 55 A A > - 0 0 0 -12,-0.4 3,-1.9 47,-0.3 47,-0.3 -0.741 32.5-133.2 -93.8 142.0 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 0.839 106.3 64.4 -61.6 -30.8 9.8 3.3 24.1 40 57 A H G 3 S+ 0 0 64 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.544 92.4 64.6 -72.3 -2.4 6.3 1.6 24.0 41 58 A b G < S+ 0 0 5 -3,-1.9 -1,-0.3 -15,-0.0 -2,-0.2 0.429 74.4 132.8 -94.4 -3.9 7.2 0.3 20.6 42 59 A Y < + 0 0 126 -3,-1.9 2,-0.3 -4,-0.1 -3,-0.0 -0.244 21.8 142.3 -54.1 134.9 10.0 -1.9 22.0 43 60 A K - 0 0 55 0, 0.0 3,-0.3 0, 0.0 2,-0.2 -0.955 48.4-108.5-165.0 156.5 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 -0.606 96.0 40.1 -89.9 158.9 12.7 -8.0 19.8 45 62 A G S S+ 0 0 67 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.924 76.4 171.3 71.2 45.5 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 -0.767 19.2-166.1 -94.1 128.5 12.8 -5.4 14.7 47 64 A Q E -KN 19 66C 53 -28,-2.5 -28,-2.8 -2,-0.4 2,-0.5 -0.966 16.1-141.7-111.3 126.9 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 -0.810 12.4-159.4 -91.6 126.0 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 -0.942 11.6-174.6-113.4 110.9 12.3 -0.2 6.7 50 67 A L E +KN 16 63C 2 13,-2.9 13,-1.8 -2,-0.6 -34,-0.1 -0.649 61.3 27.8 -99.5 160.3 13.4 3.1 5.2 51 69 A G S S+ 0 0 7 -36,-0.5 2,-0.2 -38,-0.3 -1,-0.2 0.743 84.2 156.5 61.6 29.5 12.2 4.8 2.0 52 70 A E + 0 0 10 -37,-0.4 -42,-0.3 -3,-0.3 -1,-0.2 -0.549 21.5 150.8 -89.7 145.5 8.8 3.4 2.2 53 71 A D S S+ 0 0 16 1,-0.4 2,-0.8 4,-0.2 -1,-0.2 0.324 79.2 33.2-128.4 -78.2 5.5 4.6 0.8 54 72 A N S > S- 0 0 23 80,-0.2 3,-0.7 1,-0.2 -1,-0.4 -0.731 73.2-161.1 -82.7 111.8 3.2 1.7 0.1 55 73 A I T 3 S+ 0 0 32 78,-2.8 -1,-0.2 -2,-0.8 79,-0.1 0.634 84.3 52.3 -72.3 -6.6 4.1 -0.7 2.9 56 74 A N T 3 S+ 0 0 117 77,-0.2 2,-0.3 1,-0.0 -1,-0.2 0.594 104.9 54.5-104.7 -11.4 2.7 -3.8 1.1 57 75 A V S < S- 0 0 80 -3,-0.7 2,-0.8 76,-0.1 -4,-0.2 -0.936 77.4-126.6-124.3 141.5 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 -0.825 39.4 162.7 -85.3 112.4 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 0.486 53.5 -92.8-108.7 -7.6 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 -0.141 100.9 68.0 105.2 152.6 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 0.262 69.6 132.4 85.2 -8.7 13.8 3.0 -2.9 62 80 A E - 0 0 33 -13,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.435 37.1-168.0 -75.5 148.3 13.2 0.7 0.1 63 81 A Q E -N 50 0C 39 -13,-1.8 -13,-2.9 -2,-0.1 2,-0.6 -0.978 4.2-161.9-137.3 116.8 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 17.5 170.9-103.2 118.1 15.5 -3.0 4.9 65 83 A I E -N 48 0C 18 -17,-2.9 -17,-3.3 -2,-0.6 2,-0.1 -0.993 29.5-125.2-132.9 132.4 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 -0.449 28.5-113.8 -72.7 147.6 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 -0.670 22.4-166.0 -79.6 132.8 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 0.785 72.9 -4.2 -88.3 -33.8 21.4 -4.2 16.1 69 87 A K E -O 89 0C 88 20,-1.3 20,-2.8 2,-0.0 2,-0.5 -0.973 57.0-149.9-160.4 143.8 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 12.2-160.5-118.2 127.2 17.2 -0.9 20.9 71 89 A I E -O 87 0C 31 16,-3.4 16,-2.3 -2,-0.5 2,-0.3 -0.908 4.2-163.2-114.4 100.3 17.8 1.4 23.8 72 90 A V E -O 86 0C 46 -2,-0.6 14,-0.2 14,-0.2 12,-0.1 -0.650 40.4 -94.2 -79.3 136.8 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 -0.344 33.1-129.7 -53.3 128.1 15.1 5.3 28.1 74 92 A P T 3 S+ 0 0 111 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.743 106.1 47.8 -52.4 -29.6 16.2 3.9 31.5 75 93 A S T 3 S+ 0 0 77 8,-0.1 2,-0.1 2,-0.1 -2,-0.1 0.188 78.4 137.5-100.6 16.2 13.4 5.9 33.3 76 94 A Y < - 0 0 59 -3,-2.2 2,-0.6 9,-0.1 7,-0.2 -0.412 39.7-155.9 -63.6 132.6 10.6 5.0 31.0 77 95 A N > - 0 0 67 5,-2.0 4,-2.4 -2,-0.1 5,-0.4 -0.961 6.6-156.8-115.5 116.6 7.4 4.2 32.9 78 96 A S T 4 S+ 0 0 84 -2,-0.6 -1,-0.1 1,-0.2 -2,-0.0 0.631 90.1 48.5 -67.5 -15.8 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 0.835 123.9 27.1 -92.6 -37.5 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 0.647 94.0-136.4 -95.8 -19.9 2.3 6.9 32.8 81 99 A L >< + 0 0 28 -4,-2.4 3,-0.9 1,-0.3 2,-0.2 0.650 46.8 158.3 67.7 19.4 4.3 6.8 29.5 82 100 A N T 3 + 0 0 36 -5,-0.4 -5,-2.0 1,-0.3 -1,-0.3 -0.525 66.3 18.4 -71.7 140.2 6.6 9.3 30.9 83 101 A N T 3 S+ 0 0 19 1,-0.2 2,-2.1 -7,-0.2 -10,-0.3 0.877 79.5 174.2 64.4 41.4 10.0 9.2 29.1 84 102 A D < + 0 0 0 -3,-0.9 2,-0.3 75,-0.2 -1,-0.2 -0.521 32.2 117.6 -80.9 77.7 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 36.7-179.2-147.5 140.2 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 15.6-146.6-143.6 140.8 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 -0.909 12.0-161.4-108.6 135.9 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 -0.975 5.2-152.6-120.2 126.4 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 -0.865 19.2-130.5 -98.6 131.8 20.9 1.5 16.2 90 108 A L E - O 0 67C 0 -57,-2.8 -23,-0.2 -2,-0.5 -24,-0.1 -0.559 10.3-129.7 -80.3 146.4 21.0 -0.1 12.6 91 109 A K S S+ 0 0 121 -25,-2.8 2,-0.3 -2,-0.2 -1,-0.1 0.855 97.3 15.2 -61.8 -35.8 23.1 -3.1 11.9 92 110 A S S S- 0 0 71 -26,-0.3 2,-0.1 -60,-0.1 -1,-0.1 -0.945 97.0 -94.3-135.6 153.8 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 -0.444 42.6-116.5 -71.6 141.5 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 -0.391 24.0-112.7 -73.5 155.5 21.6 3.5 5.7 95 113 A S - 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