==== 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-JUL-09 3I77 . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES GRISEUS; . AUTHOR M.J.PAGE,E.DI CERA . 230 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9842.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 32.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.9 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-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 19 8.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 8.3 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 0 1 0 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 2 4 1 5 2 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 0 1 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 V 0 0 0 0, 0.0 2,-0.4 0, 0.0 3,-0.4 0.000 360.0 360.0 360.0 128.1 25.5 12.9 25.5 2 17 A V B +A 173 0A 21 171,-3.1 171,-1.5 1,-0.2 124,-0.1 -0.852 360.0 13.4-100.9 139.8 25.6 9.2 25.0 3 18 A G S S+ 0 0 54 122,-0.4 -1,-0.2 -2,-0.4 2,-0.1 0.747 102.7 118.2 72.1 23.2 28.0 7.7 22.4 4 19 A G - 0 0 28 -3,-0.4 2,-0.3 134,-0.1 134,-0.2 -0.318 52.8-133.2-110.2-167.8 30.0 10.9 22.1 5 20 A T E -B 137 0B 86 132,-2.3 132,-3.0 -2,-0.1 2,-0.1 -0.919 39.8 -70.4-140.5 167.8 33.6 12.2 22.6 6 21 A R E -B 136 0B 167 -2,-0.3 2,-0.3 130,-0.2 130,-0.2 -0.374 43.0-133.5 -62.5 129.7 35.2 15.2 24.3 7 22 A A - 0 0 7 128,-2.4 2,-0.2 -2,-0.1 128,-0.1 -0.622 27.8-114.3 -74.4 143.8 34.8 18.5 22.5 8 23 A A >> - 0 0 58 -2,-0.3 3,-2.6 1,-0.1 4,-0.5 -0.567 37.6 -90.2 -78.4 147.5 38.1 20.5 22.2 9 24 A Q T 34 S+ 0 0 116 1,-0.3 -1,-0.1 -2,-0.2 50,-0.1 -0.336 117.3 14.8 -50.9 126.9 38.5 23.8 24.0 10 25 A G T 34 S+ 0 0 46 2,-0.1 -1,-0.3 48,-0.1 4,-0.1 0.290 95.1 109.7 85.8 -9.4 37.3 26.4 21.6 11 26 A E T <4 S+ 0 0 59 -3,-2.6 -2,-0.1 1,-0.3 3,-0.1 0.929 95.9 14.0 -64.8 -45.2 35.5 24.0 19.2 12 27 A F S >< S+ 0 0 8 -4,-0.5 3,-1.8 1,-0.1 -1,-0.3 -0.670 76.0 166.1-129.4 70.8 31.9 25.1 20.1 13 28 A P T 3 + 0 0 29 0, 0.0 45,-0.5 0, 0.0 -1,-0.1 0.610 66.4 69.5 -77.4 -6.7 32.6 28.3 22.0 14 29 A F T 3 S+ 0 0 4 89,-0.1 17,-2.2 -3,-0.1 2,-0.2 0.481 77.3 111.9 -79.4 -6.8 28.9 29.4 21.9 15 30 A M E < -J 30 0C 6 -3,-1.8 43,-0.4 15,-0.2 2,-0.3 -0.479 46.0-174.1 -72.6 135.3 28.0 26.6 24.3 16 31 A V E -J 29 0C 0 13,-2.3 13,-1.2 -2,-0.2 2,-0.6 -0.982 21.8-135.5-127.9 149.7 26.9 27.5 27.9 17 32 A R E -JK 28 56C 9 39,-2.5 39,-2.6 -2,-0.3 2,-0.4 -0.888 25.3-155.5 -96.9 122.1 26.1 25.4 31.0 18 33 A L E -JK 27 55C 5 9,-2.6 9,-2.4 -2,-0.6 2,-0.5 -0.844 13.0-172.5-102.8 132.8 22.9 26.6 32.7 19 34 A I E -JK 26 54C 48 35,-2.3 35,-2.6 -2,-0.4 2,-1.1 -0.982 10.1-159.5-120.0 116.5 22.1 26.0 36.4 20 35 A N E >> -JK 25 53C 5 5,-2.7 5,-1.6 -2,-0.5 4,-1.0 -0.830 9.9-171.7 -90.7 96.6 18.6 27.0 37.4 21 36 A E T 45S+ 0 0 95 31,-2.2 -1,-0.2 -2,-1.1 32,-0.1 0.793 76.9 59.3 -62.2 -30.6 19.2 27.4 41.1 22 37 A E T 45S+ 0 0 121 30,-0.4 -1,-0.2 1,-0.2 31,-0.1 0.890 121.0 21.5 -69.4 -43.9 15.5 27.8 42.0 23 38 A N T 45S- 0 0 75 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.293 105.5-115.3-111.4 12.3 14.3 24.5 40.6 24 39 A E T <5 + 0 0 164 -4,-1.0 2,-0.3 1,-0.2 -3,-0.2 0.788 58.8 160.6 63.7 30.2 17.6 22.6 40.7 25 40 A G E < -J 20 0C 20 -5,-1.6 -5,-2.7 18,-0.1 2,-0.5 -0.652 28.9-162.5 -89.6 137.3 17.8 22.3 36.9 26 41 A F E +J 19 0C 92 -2,-0.3 2,-0.2 -7,-0.2 153,-0.2 -0.990 30.4 147.9-116.0 127.9 21.0 21.6 34.9 27 42 A a E -J 18 0C 13 -9,-2.4 -9,-2.6 -2,-0.5 2,-0.2 -0.848 38.8-120.4-148.6 170.8 20.7 22.4 31.2 28 43 A G E +J 17 0C 2 151,-3.2 12,-0.4 -2,-0.2 2,-0.3 -0.653 28.2 170.4-111.5 177.1 22.6 23.6 28.2 29 44 A G E -J 16 0C 0 -13,-1.2 -13,-2.3 -2,-0.2 2,-0.4 -0.956 24.8-120.3-171.2 173.6 22.1 26.6 26.0 30 45 A A E -JL 15 38C 0 8,-2.2 8,-2.7 -2,-0.3 2,-1.2 -0.957 30.8-106.7-127.6 148.4 23.7 28.6 23.2 31 46 A L E + L 0 37C 1 -17,-2.2 73,-2.7 -2,-0.4 6,-0.2 -0.666 38.1 171.7 -74.4 101.2 24.8 32.2 23.0 32 47 A Y E S+ 0 0 57 4,-2.0 2,-0.3 -2,-1.2 -1,-0.2 0.859 83.9 0.2 -74.0 -45.0 22.1 33.7 20.7 33 48 A A E > S- L 0 36C 28 3,-2.0 3,-1.5 -3,-0.2 -1,-0.3 -0.853 94.2 -99.5-126.9 167.5 23.6 37.1 21.5 34 49 A Q T 3 S+ 0 0 73 -2,-0.3 65,-3.0 1,-0.3 63,-0.1 0.771 127.5 31.3 -61.7 -22.5 26.6 37.4 23.9 35 50 A D T 3 S+ 0 0 52 63,-0.3 60,-2.8 1,-0.1 2,-0.4 0.135 111.2 73.3-120.0 19.7 24.2 38.3 26.6 36 51 A I E < -LM 33 94C 13 -3,-1.5 -4,-2.0 58,-0.2 -3,-2.0 -0.971 64.0-157.6-136.4 118.6 21.1 36.3 25.5 37 52 A V E -LM 31 93C 0 56,-2.7 56,-2.5 -2,-0.4 2,-0.6 -0.828 6.2-149.6 -99.4 130.0 21.0 32.5 25.9 38 53 A L E +LM 30 92C 0 -8,-2.7 -8,-2.2 -2,-0.5 54,-0.2 -0.898 38.0 143.0 -93.9 126.1 18.7 30.4 23.7 39 54 A T E - M 0 91C 0 52,-2.9 52,-1.9 -2,-0.6 2,-0.3 -0.693 51.6 -62.5-143.3-167.2 17.6 27.3 25.6 40 55 A A > - 0 0 0 -12,-0.4 3,-1.3 50,-0.3 50,-0.3 -0.666 32.5-131.9 -87.1 145.8 14.5 25.1 26.1 41 56 A A G > S+ 0 0 0 -2,-0.3 3,-1.8 1,-0.2 -1,-0.1 0.855 108.7 62.4 -56.2 -35.7 11.2 26.4 27.5 42 57 A H G 3 S+ 0 0 47 1,-0.3 -1,-0.2 3,-0.1 47,-0.0 0.611 89.9 68.9 -74.8 -6.7 11.2 23.3 29.8 43 58 A a G < S+ 0 0 10 -3,-1.3 2,-0.3 -15,-0.1 -1,-0.3 0.576 105.0 42.3 -79.3 -11.4 14.5 24.5 31.4 44 59 A V S < S- 0 0 8 -3,-1.8 3,-0.1 -4,-0.2 -24,-0.0 -0.869 75.5-132.1-130.9 165.2 12.6 27.4 33.0 45 60 A S S S- 0 0 86 -2,-0.3 2,-0.3 1,-0.2 -3,-0.1 0.558 73.1 -49.5 -98.2 -4.3 9.3 27.8 34.8 46 60AA G - 0 0 23 -5,-0.1 2,-0.2 2,-0.1 -1,-0.2 -0.981 67.3 -58.1 164.6-169.3 8.0 30.9 33.0 47 60BA S S S+ 0 0 80 -2,-0.3 2,-0.2 29,-0.1 29,-0.2 -0.657 72.7 64.9-100.3 156.5 8.7 34.5 31.9 48 60CA G E S-N 75 0C 29 27,-2.7 27,-2.7 -2,-0.2 2,-0.2 -0.752 88.2 -19.6 132.8-175.3 9.7 37.6 33.8 49 60DA N E +N 74 0C 142 25,-0.2 2,-0.3 -2,-0.2 25,-0.3 -0.459 65.0 166.8 -62.8 132.8 12.5 39.0 35.9 50 61 A N + 0 0 22 23,-1.5 3,-0.2 -2,-0.2 -2,-0.1 -0.884 25.1 171.8-158.3 116.9 14.6 36.2 37.1 51 62 A T + 0 0 88 -2,-0.3 22,-0.1 1,-0.1 -2,-0.0 0.058 62.5 91.8-112.6 22.4 18.0 36.3 38.7 52 63 A S + 0 0 25 19,-0.1 -31,-2.2 2,-0.0 2,-0.4 0.400 64.7 87.1 -98.3 -4.5 18.2 32.6 39.7 53 64 A I E -K 20 0C 3 -33,-0.2 19,-2.9 -3,-0.2 2,-0.4 -0.837 57.6-158.3-106.1 140.7 19.9 31.2 36.7 54 65 A T E -KO 19 71C 3 -35,-2.6 -35,-2.3 -2,-0.4 2,-0.5 -0.926 1.3-158.2-116.8 134.9 23.6 30.9 36.1 55 66 A A E -KO 18 70C 0 15,-3.2 15,-2.7 -2,-0.4 2,-0.6 -0.981 3.8-162.4-112.8 124.4 25.3 30.6 32.7 56 67 A T E +KO 17 69C 18 -39,-2.6 -39,-2.5 -2,-0.5 13,-0.2 -0.928 23.4 161.7-109.7 115.3 28.8 29.2 32.5 57 68 A G E + O 0 68C 1 11,-2.9 11,-2.5 -2,-0.6 -41,-0.1 -0.610 38.4 53.3-122.5 179.1 30.7 29.9 29.3 58 69 A G S S+ 0 0 14 -45,-0.5 2,-0.3 -43,-0.4 -1,-0.1 0.180 94.4 72.2 85.3 -14.3 34.2 30.0 27.8 59 70 A V - 0 0 15 -44,-0.2 -1,-0.1 9,-0.1 9,-0.0 -0.985 56.0-156.3-143.1 141.0 35.3 26.5 28.7 60 71 A V S S+ 0 0 21 -2,-0.3 75,-2.0 1,-0.1 2,-0.8 0.756 93.4 71.0 -79.1 -26.1 34.7 22.8 27.9 61 72 A D B > -Q 134 0D 28 73,-0.2 3,-1.5 1,-0.2 73,-0.2 -0.820 69.7-163.1 -93.3 104.8 35.9 22.0 31.5 62 73 A L T 3 S+ 0 0 45 71,-2.7 -1,-0.2 -2,-0.8 72,-0.1 0.746 89.8 55.0 -60.6 -27.0 33.2 23.2 33.9 63 75 A Q T 3 S+ 0 0 135 70,-0.3 -1,-0.2 3,-0.0 71,-0.1 0.496 81.7 125.0 -86.8 2.9 35.8 23.0 36.9 64 76 A S X - 0 0 35 -3,-1.5 3,-1.0 1,-0.2 -5,-0.0 -0.332 66.3-141.2 -62.4 135.5 38.3 25.3 35.1 65 77 A S T 3 S+ 0 0 130 1,-0.2 -1,-0.2 -2,-0.0 -3,-0.0 0.735 103.1 67.7 -74.9 -1.9 39.4 28.5 36.9 66 79 A S T 3 S+ 0 0 89 -5,-0.1 -1,-0.2 2,-0.1 -2,-0.1 0.703 76.6 121.8 -80.2 -9.8 39.0 30.2 33.1 67 80 A A < - 0 0 33 -3,-1.0 2,-0.6 -6,-0.2 -9,-0.2 -0.167 58.6-144.8 -55.4 142.9 35.2 29.6 33.3 68 81 A V E -O 57 0C 59 -11,-2.5 -11,-2.9 -9,-0.0 2,-0.6 -0.961 16.4-171.0-111.5 116.1 33.0 32.7 33.0 69 82 A K E +O 56 0C 134 -2,-0.6 2,-0.3 -13,-0.2 -13,-0.2 -0.943 7.8 176.4-113.3 121.0 29.9 32.5 35.2 70 83 A V E -O 55 0C 18 -15,-2.7 -15,-3.2 -2,-0.6 2,-0.3 -0.939 22.5-129.0-126.3 146.8 27.2 35.1 34.7 71 84 A R E -O 54 0C 91 -2,-0.3 25,-3.1 -17,-0.2 26,-0.3 -0.689 23.5-115.9 -96.0 145.3 23.8 35.5 36.3 72 85 A S E - P 0 95C 1 -19,-2.9 23,-0.3 -2,-0.3 3,-0.1 -0.266 21.8-176.3 -64.5 160.0 20.5 36.0 34.6 73 86 A T E + 0 0 51 21,-3.0 -23,-1.5 1,-0.4 2,-0.3 0.495 69.6 12.8-123.5 -23.4 18.3 39.1 34.8 74 87 A K E -NP 49 94C 69 20,-1.4 20,-2.8 -25,-0.3 -1,-0.4 -0.997 56.7-154.0-158.5 145.0 15.3 38.1 32.8 75 88 A V E -NP 48 93C 2 -27,-2.7 -27,-2.7 -2,-0.3 2,-0.5 -0.983 1.5-167.9-125.8 137.2 13.6 35.0 31.1 76 89 A L E - P 0 92C 30 16,-3.0 16,-3.1 -2,-0.4 2,-0.4 -0.954 12.0-168.5-123.7 110.1 11.3 34.9 28.2 77 90 A Q E - P 0 91C 26 -2,-0.5 14,-0.2 14,-0.3 -30,-0.1 -0.794 41.7 -84.4 -96.0 137.5 9.7 31.5 27.7 78 91 A A > - 0 0 2 12,-2.6 3,-1.9 -2,-0.4 -1,-0.1 -0.108 54.1-106.7 -38.3 124.9 7.8 30.7 24.5 79 92 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.355 103.5 16.7 -58.5 133.9 4.2 32.1 24.8 80 93 A G T 3 S+ 0 0 56 1,-0.3 -2,-0.1 -3,-0.1 0, 0.0 0.338 86.3 152.2 87.1 -8.6 1.7 29.4 25.3 81 94 A F < + 0 0 28 -3,-1.9 -1,-0.3 1,-0.2 7,-0.1 -0.273 6.5 154.6 -52.2 135.6 4.3 26.8 26.2 82 95 A T - 0 0 102 1,-0.4 2,-0.3 5,-0.3 -1,-0.2 0.556 66.7 -7.3-128.5 -49.6 2.8 24.1 28.5 83 96 A K > - 0 0 94 4,-0.2 3,-2.3 1,-0.1 -1,-0.4 -0.996 61.9-118.7-148.7 153.7 5.0 21.0 28.0 84 97 A E G > S+ 0 0 48 -2,-0.3 3,-1.5 1,-0.3 5,-0.2 0.800 111.3 60.7 -63.9 -29.5 7.8 20.1 25.6 85 98 A T G 3 S+ 0 0 44 1,-0.3 -1,-0.3 114,-0.1 3,-0.1 0.604 103.0 54.7 -68.6 -12.1 5.9 17.1 24.0 86 99 A Y G < S- 0 0 146 -3,-2.3 -1,-0.3 1,-0.4 -2,-0.2 0.355 114.4-119.3-101.3 4.5 3.2 19.7 23.0 87 100 A G S < S+ 0 0 3 -3,-1.5 -1,-0.4 -4,-0.2 -5,-0.3 -0.494 81.3 100.1 98.9-167.0 5.8 21.9 21.2 88 101 A K + 0 0 79 1,-0.2 2,-1.9 -2,-0.2 -10,-0.2 0.775 47.4 165.7 53.2 34.4 6.9 25.5 21.6 89 102 A D + 0 0 2 71,-0.3 2,-0.3 -5,-0.2 125,-0.2 -0.406 30.1 101.6 -87.9 69.9 10.0 24.3 23.4 90 103 A W + 0 0 6 -2,-1.9 -12,-2.6 -50,-0.3 2,-0.3 -0.988 37.2 173.1-143.2 153.0 12.2 27.5 23.5 91 104 A A E -MP 39 77C 0 -52,-1.9 -52,-2.9 -2,-0.3 2,-0.4 -0.976 20.8-137.7-152.4 152.7 13.2 30.2 25.9 92 105 A L E -MP 38 76C 0 -16,-3.1 -16,-3.0 -2,-0.3 2,-0.5 -0.920 10.9-159.7-109.5 138.8 15.6 33.2 26.1 93 106 A I E -MP 37 75C 0 -56,-2.5 -56,-2.7 -2,-0.4 2,-0.5 -0.970 9.1-148.8-117.8 117.5 17.6 34.1 29.1 94 107 A K E -MP 36 74C 40 -20,-2.8 -21,-3.0 -2,-0.5 -20,-1.4 -0.729 18.5-146.2 -81.1 128.0 19.0 37.7 29.4 95 108 A L E - 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