==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (SERINE PROTEINASE) 16-MAR-95 1TRN . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR C.GABORIAUD,J.C.FONTECILLA-CAMPS . 448 2 10 10 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19070.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 287 64.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 147 32.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 0.4 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 . 41 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 8.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 31 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 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 . 7 3 4 12 4 2 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 2 0 2 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 0 0, 0.0 3,-0.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 114.0 26.1 20.7 6.2 2 17 A V B +A 171 0A 1 169,-2.6 169,-1.8 1,-0.2 123,-0.1 -0.823 360.0 12.5 -90.1 136.8 29.1 22.1 8.1 3 18 A G S S+ 0 0 43 121,-0.6 -1,-0.2 -2,-0.4 167,-0.1 0.625 102.5 122.5 75.8 15.2 28.8 21.9 11.9 4 19 A G - 0 0 28 -3,-0.4 2,-0.3 167,-0.1 134,-0.2 -0.014 52.6-126.2 -92.9-157.6 25.9 19.5 11.8 5 20 A Y E -B 137 0B 87 132,-2.3 132,-3.0 -3,-0.1 2,-0.4 -0.907 36.9 -77.6-147.4 165.9 25.2 16.1 13.2 6 21 A N E -B 136 0B 91 -2,-0.3 130,-0.2 130,-0.2 129,-0.1 -0.576 53.3-117.2 -69.9 123.2 24.1 12.7 11.8 7 22 A a - 0 0 4 128,-2.4 3,-0.1 -2,-0.4 128,-0.1 -0.350 33.3-113.1 -61.5 134.5 20.3 12.8 11.3 8 23 A E > - 0 0 140 1,-0.2 3,-1.4 2,-0.1 4,-0.3 -0.073 49.6 -67.8 -58.9 165.0 18.6 10.3 13.6 9 24 A E T 3 S- 0 0 119 1,-0.3 -1,-0.2 2,-0.1 44,-0.0 -0.363 114.9 -10.9 -59.6 134.0 16.8 7.3 12.1 10 25 A N T 3 S+ 0 0 78 1,-0.1 -1,-0.3 -3,-0.1 -2,-0.1 0.773 94.5 124.2 36.5 44.5 13.7 8.3 10.1 11 26 A S S < S+ 0 0 46 -3,-1.4 -1,-0.1 1,-0.2 -2,-0.1 0.606 79.8 37.4 -95.5 -11.6 13.8 11.9 11.4 12 27 A V > + 0 0 13 -4,-0.3 3,-2.1 1,-0.1 -1,-0.2 -0.374 65.8 153.7-135.0 60.2 13.9 13.2 7.8 13 28 A P T 3 S+ 0 0 26 0, 0.0 88,-1.2 0, 0.0 38,-0.3 0.651 72.5 59.6 -68.7 -15.7 11.6 10.9 5.8 14 29 A Y T 3 S+ 0 0 16 86,-0.2 15,-2.6 88,-0.1 2,-0.3 0.428 78.3 112.3 -91.0 -4.9 10.8 13.7 3.3 15 30 A Q E < +J 28 0C 5 -3,-2.1 36,-0.6 13,-0.2 2,-0.3 -0.552 42.0 174.6 -72.7 129.3 14.5 14.1 2.2 16 31 A V E -JK 27 50C 1 11,-2.0 11,-1.3 -2,-0.3 2,-0.4 -0.901 22.0-137.4-125.6 163.8 15.3 13.1 -1.3 17 32 A S E -JK 26 49C 0 32,-1.8 32,-2.3 -2,-0.3 2,-0.4 -0.916 10.9-140.7-115.8 144.4 18.5 13.3 -3.5 18 33 A L E -JK 25 48C 0 7,-2.7 6,-2.2 -2,-0.4 7,-1.2 -0.910 30.1-170.6-100.6 141.7 18.5 14.3 -7.2 19 34 A N E -JK 23 47C 1 28,-1.6 28,-2.0 -2,-0.4 2,-0.3 -0.943 38.6-177.0-140.4 142.9 21.0 12.2 -9.2 20 37 A S S S- 0 0 57 2,-2.2 2,-2.0 -2,-0.3 26,-0.1 -0.798 102.3 -42.9-129.6 77.5 22.6 12.0 -12.5 21 38 A G S S+ 0 0 49 -2,-0.3 2,-0.2 26,-0.0 -2,-0.0 -0.528 143.9 24.7 90.5 -67.2 24.5 8.9 -11.7 22 39 A Y S S- 0 0 181 -2,-2.0 -2,-2.2 1,-0.1 2,-0.2 -0.724 103.9 -75.3-122.0 171.2 25.3 10.3 -8.3 23 40 A H E +J 19 0C 51 -4,-0.2 -4,-0.3 -2,-0.2 3,-0.1 -0.426 44.1 161.7 -71.0 129.5 23.7 13.0 -6.1 24 41 A F E + 0 0 45 -6,-2.2 2,-0.3 1,-0.3 153,-0.2 0.488 68.2 7.9-120.3 -9.3 24.2 16.6 -7.1 25 42 A b E -J 18 0C 10 -7,-1.2 -7,-2.7 151,-0.1 -1,-0.3 -0.963 65.4-121.6-162.5 163.3 21.4 18.1 -5.0 26 43 A G E -J 17 0C 3 151,-3.2 12,-0.4 -2,-0.3 2,-0.3 -0.459 26.1-179.6 -99.5-175.6 18.7 17.5 -2.4 27 44 A G E -J 16 0C 0 -11,-1.3 -11,-2.0 -2,-0.2 2,-0.4 -0.958 23.0-115.8-170.2 175.1 15.0 17.9 -2.6 28 45 A S E -JL 15 36C 1 8,-2.3 8,-2.8 -2,-0.3 2,-0.7 -0.994 18.6-130.2-132.5 131.6 11.8 17.6 -0.5 29 46 A L E + L 0 35C 0 -15,-2.6 74,-1.8 -2,-0.4 6,-0.2 -0.679 35.5 162.9 -79.9 110.4 8.9 15.2 -1.0 30 47 A I E + 0 0 23 4,-2.3 2,-0.3 -2,-0.7 5,-0.2 0.377 67.0 17.0-109.9 -2.5 5.8 17.4 -0.8 31 48 A N E > S- L 0 34C 57 3,-1.3 3,-1.3 70,-0.1 -1,-0.3 -0.945 88.9 -99.5-160.8 155.3 3.2 15.1 -2.4 32 49 A E T 3 S+ 0 0 83 -2,-0.3 62,-3.4 1,-0.3 60,-0.1 0.702 127.5 27.7 -57.1 -14.8 3.3 11.3 -3.2 33 50 A Q T 3 S+ 0 0 43 60,-0.2 57,-3.1 1,-0.1 2,-0.4 0.321 113.4 73.9-127.5 8.9 4.3 12.3 -6.7 34 51 A W E < -LM 31 89C 0 -3,-1.3 -4,-2.3 55,-0.2 -3,-1.3 -0.977 47.7-171.0-137.5 138.9 6.1 15.6 -6.3 35 52 A V E -LM 29 88C 0 53,-2.5 53,-2.7 -2,-0.4 2,-0.5 -0.885 14.6-146.3-119.6 136.1 9.4 16.9 -5.1 36 53 A V E +LM 28 87C 0 -8,-2.8 -8,-2.3 -2,-0.4 51,-0.2 -0.956 32.3 152.2 -97.3 135.5 10.4 20.5 -4.5 37 54 A S E - M 0 86C 0 49,-3.0 49,-1.8 -2,-0.5 2,-0.3 -0.662 48.4 -69.1-141.8-171.4 14.1 21.4 -5.2 38 55 A A > - 0 0 0 -12,-0.4 3,-1.6 47,-0.2 47,-0.3 -0.744 33.8-132.9 -85.4 143.9 16.1 24.4 -6.2 39 56 A G G > S+ 0 0 0 -2,-0.3 3,-1.3 1,-0.3 -1,-0.1 0.803 106.6 61.9 -66.6 -26.0 15.8 25.7 -9.8 40 57 A H G 3 S+ 0 0 65 1,-0.3 -1,-0.3 41,-0.1 137,-0.0 0.601 91.6 66.9 -80.1 2.1 19.5 25.9 -10.1 41 58 A b G < S+ 0 0 3 -3,-1.6 -1,-0.3 -15,-0.1 -2,-0.2 0.278 78.9 139.2 -94.4 4.4 19.7 22.1 -9.5 42 59 A Y < + 0 0 94 -3,-1.3 2,-0.3 -5,-0.0 -3,-0.1 -0.270 20.6 159.7 -54.7 135.4 17.9 21.8 -12.9 43 60 A K - 0 0 80 1,-0.1 3,-0.1 3,-0.0 -2,-0.0 -0.917 46.6-118.7-145.6 164.7 18.9 19.1 -15.3 44 61 A S S S+ 0 0 76 -2,-0.3 2,-0.4 1,-0.2 26,-0.1 0.821 103.1 30.1 -70.4 -40.8 17.1 17.6 -18.2 45 62 A R S S+ 0 0 196 -3,-0.0 2,-0.4 2,-0.0 -1,-0.2 -0.993 73.0 173.3-127.3 123.7 17.0 14.1 -16.8 46 63 A I - 0 0 5 -2,-0.4 21,-3.0 21,-0.2 2,-0.6 -0.995 21.7-153.3-133.7 131.1 17.0 13.5 -13.1 47 64 A Q E -KN 19 66C 49 -28,-2.0 -28,-1.6 -2,-0.4 2,-0.4 -0.979 19.4-151.6 -98.6 123.7 16.6 10.3 -11.1 48 65 A V E -KN 18 65C 0 17,-3.1 17,-2.9 -2,-0.6 2,-0.5 -0.793 6.5-159.4 -93.1 136.7 15.1 11.0 -7.7 49 66 A R E -KN 17 64C 35 -32,-2.3 -32,-1.8 -2,-0.4 2,-0.3 -0.975 7.5-169.4-120.2 133.7 15.9 8.7 -4.8 50 67 A L E +KN 16 63C 1 13,-2.3 13,-2.0 -2,-0.5 -34,-0.1 -0.732 62.2 28.9-115.0 154.4 13.8 8.4 -1.7 51 69 A G S S+ 0 0 12 -36,-0.6 2,-0.3 -38,-0.3 10,-0.3 0.537 76.9 146.0 77.3 8.5 14.4 6.8 1.6 52 70 A E + 0 0 19 -37,-0.3 -1,-0.2 -3,-0.2 3,-0.2 -0.613 14.7 157.6 -79.2 139.2 18.2 7.1 1.7 53 71 A H S S+ 0 0 21 1,-0.5 82,-1.9 -2,-0.3 2,-0.7 0.693 79.5 37.2-113.8 -65.4 20.1 7.6 4.9 54 72 A N B S-P 134 0D 21 3,-0.4 -1,-0.5 80,-0.2 80,-0.3 -0.868 77.9-157.8 -83.9 113.8 23.6 6.4 4.0 55 73 A I S S+ 0 0 21 78,-3.2 -1,-0.1 -2,-0.7 79,-0.1 0.631 88.5 46.1 -76.0 -8.8 23.9 7.6 0.4 56 74 A E S S+ 0 0 115 77,-0.3 2,-0.5 1,-0.2 -1,-0.2 0.854 109.9 51.7 -95.9 -40.0 26.6 5.0 -0.3 57 75 A V S S- 0 0 82 76,-0.1 -3,-0.4 2,-0.0 -4,-0.3 -0.879 80.3-127.7-112.6 120.6 25.1 1.9 1.3 58 76 A L - 0 0 122 -2,-0.5 -3,-0.1 1,-0.1 -6,-0.1 -0.429 21.9-177.4 -57.7 133.0 21.6 0.6 0.6 59 77 A E - 0 0 96 -2,-0.1 -1,-0.1 -5,-0.1 -7,-0.0 0.444 51.2-101.3-114.5 -4.5 19.7 0.0 3.8 60 78 A G S S+ 0 0 64 3,-0.0 -8,-0.1 0, 0.0 -2,-0.1 0.069 103.4 81.5 117.0 -19.9 16.6 -1.3 2.1 61 79 A N + 0 0 53 -10,-0.3 -9,-0.1 2,-0.0 38,-0.0 0.306 61.2 126.8-101.8 13.5 14.0 1.5 2.1 62 80 A E - 0 0 26 -11,-0.1 2,-0.4 -13,-0.1 -11,-0.2 -0.315 41.0-161.2 -73.3 145.8 15.3 3.3 -1.0 63 81 A Q E -N 50 0C 30 -13,-2.0 -13,-2.3 2,-0.1 2,-0.6 -0.998 3.7-157.4-124.8 130.0 13.1 4.1 -3.9 64 82 A F E +N 49 0C 106 -2,-0.4 2,-0.4 -15,-0.2 -15,-0.2 -0.958 24.0 164.0-106.2 112.5 14.6 5.0 -7.3 65 83 A I E -N 48 0C 10 -17,-2.9 -17,-3.1 -2,-0.6 2,-0.1 -0.983 29.8-136.1-136.4 125.5 12.2 7.0 -9.4 66 84 A N E -N 47 0C 86 -2,-0.4 25,-2.0 -19,-0.3 -19,-0.3 -0.437 33.0-102.5 -78.7 144.0 13.0 9.0 -12.5 67 85 A A E -O 90 0C 18 -21,-3.0 23,-0.2 23,-0.2 -21,-0.2 -0.462 28.2-169.5 -63.5 136.6 11.5 12.5 -12.9 68 86 A A E S+ 0 0 57 21,-3.9 2,-0.4 1,-0.4 22,-0.2 0.738 76.5 13.9 -89.8 -42.2 8.6 12.6 -15.3 69 87 A K E -O 89 0C 95 20,-1.3 20,-2.6 2,-0.0 2,-0.5 -1.000 60.4-162.9-138.9 137.3 8.5 16.4 -15.4 70 88 A I E -O 88 0C 31 -2,-0.4 2,-0.6 18,-0.2 18,-0.2 -0.993 13.8-179.8-122.1 111.7 10.9 19.1 -14.3 71 89 A I E -O 87 0C 37 16,-2.8 16,-2.9 -2,-0.5 2,-0.3 -0.935 7.6-165.4-119.4 100.7 9.3 22.5 -14.0 72 90 A R E -O 86 0C 97 -2,-0.6 14,-0.3 14,-0.3 12,-0.1 -0.648 44.5 -84.7 -80.2 144.2 11.6 25.3 -12.9 73 91 A H > - 0 0 16 12,-2.7 3,-2.5 -2,-0.3 -1,-0.1 -0.330 38.6-130.5 -53.4 128.2 9.9 28.5 -11.8 74 92 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.738 106.0 47.6 -55.6 -33.0 9.2 30.5 -15.0 75 93 A Q T 3 S+ 0 0 137 2,-0.1 2,-0.2 8,-0.0 -2,-0.1 0.035 78.8 145.6 -97.6 23.2 10.8 33.6 -13.5 76 94 A Y < - 0 0 40 -3,-2.5 2,-0.7 9,-0.1 7,-0.2 -0.456 39.2-148.7 -63.3 130.7 13.9 31.9 -12.2 77 95 A D > - 0 0 66 5,-2.9 4,-2.1 -2,-0.2 5,-0.5 -0.898 8.4-163.3-108.2 111.6 16.9 34.3 -12.5 78 96 A R T 4 S+ 0 0 191 -2,-0.7 -1,-0.2 1,-0.2 -2,-0.0 0.912 88.7 44.2 -55.5 -49.2 20.2 32.5 -13.1 79 97 A K T 4 S+ 0 0 183 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.932 126.3 28.2 -64.6 -52.8 22.4 35.5 -12.1 80 98 A T T 4 S- 0 0 40 2,-0.1 -1,-0.2 76,-0.0 -2,-0.2 0.538 95.8-130.8 -87.9 -13.1 20.6 36.5 -8.9 81 99 A L >< + 0 0 29 -4,-2.1 3,-0.8 1,-0.2 2,-0.2 0.686 50.2 161.2 62.8 23.5 19.1 33.1 -8.0 82 100 A N T 3 + 0 0 32 -5,-0.5 -5,-2.9 1,-0.3 -1,-0.2 -0.512 64.8 15.7 -75.3 133.4 15.8 34.8 -7.6 83 101 A N T 3 S+ 0 0 12 -7,-0.2 2,-1.8 1,-0.2 -1,-0.3 0.936 80.8 176.9 66.9 43.3 12.9 32.4 -7.7 84 102 A D < + 0 0 0 -3,-0.8 2,-0.3 75,-0.2 -1,-0.2 -0.610 34.2 114.7 -81.2 79.5 15.3 29.5 -7.1 85 103 A I + 0 0 0 -2,-1.8 -12,-2.7 -47,-0.3 2,-0.3 -0.989 37.3 178.6-156.0 144.9 12.6 26.8 -7.0 86 104 A M E -MO 37 72C 0 -49,-1.8 -49,-3.0 -2,-0.3 2,-0.4 -0.987 16.6-144.5-154.1 139.8 11.7 23.8 -9.1 87 105 A L E -MO 36 71C 0 -16,-2.9 -16,-2.8 -2,-0.3 2,-0.5 -0.924 10.8-161.5-112.6 138.1 9.1 21.1 -9.0 88 106 A I E -MO 35 70C 0 -53,-2.7 -53,-2.5 -2,-0.4 2,-0.5 -0.989 7.8-149.9-120.7 120.9 9.7 17.5 -10.1 89 107 A K E -MO 34 69C 35 -20,-2.6 -21,-3.9 -2,-0.5 -20,-1.3 -0.803 22.3-129.6 -84.4 131.9 6.9 15.2 -10.9 90 108 A L E - 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