==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE (SERINE PROTEINASE) 13-APR-88 1SGT . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES GRISEUS; . AUTHOR R.J.READ,M.N.G.JAMES . 223 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9336.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 140 62.8 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 . 72 32.3 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 . 3 1.3 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-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 . 16 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 8.1 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 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 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 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 3,-0.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 122.4 30.0 20.5 38.7 2 17 A V B 3 +A 166 0A 22 164,-3.3 164,-1.7 1,-0.2 117,-0.1 -0.788 360.0 14.3 -93.1 137.0 32.8 21.0 36.1 3 18 A G T 3 S+ 0 0 54 115,-0.4 -1,-0.2 -2,-0.4 2,-0.1 0.707 101.9 145.4 74.3 20.5 35.5 23.5 37.0 4 19 A G < - 0 0 32 -3,-0.7 2,-0.3 162,-0.1 127,-0.2 -0.181 41.1-145.0 -88.7 175.7 34.2 23.5 40.6 5 20 A T E -B 130 0B 87 125,-2.5 125,-2.9 -3,-0.1 2,-0.2 -0.930 37.3 -83.5-135.3 158.2 35.8 23.8 44.0 6 21 A R E -B 129 0B 126 -2,-0.3 123,-0.2 123,-0.2 2,-0.2 -0.433 38.3-138.7 -68.5 131.8 34.9 22.1 47.4 7 22 A A - 0 0 1 121,-2.6 2,-0.2 -2,-0.2 121,-0.1 -0.621 27.3-113.0 -83.0 150.4 32.1 23.8 49.3 8 23 A A > - 0 0 57 -2,-0.2 3,-2.5 1,-0.1 4,-0.5 -0.540 35.4 -90.5 -86.0 152.9 32.8 24.0 53.1 9 24 A Q T 3 S+ 0 0 115 1,-0.3 -1,-0.1 -2,-0.2 45,-0.1 -0.420 118.1 18.1 -56.3 128.2 30.7 22.0 55.6 10 25 A G T 3 S+ 0 0 50 2,-0.1 -1,-0.3 -2,-0.1 44,-0.0 0.358 94.0 108.5 86.6 -1.0 27.9 24.5 56.6 11 26 A E S < S+ 0 0 60 -3,-2.5 -2,-0.1 1,-0.3 3,-0.1 0.928 94.9 13.9 -73.9 -45.2 28.2 26.7 53.6 12 27 A F S > S+ 0 0 11 -4,-0.5 3,-1.7 1,-0.1 -1,-0.3 -0.730 74.2 169.3-128.0 70.1 25.1 25.8 51.7 13 28 A P T 3 + 0 0 31 0, 0.0 40,-0.5 0, 0.0 -1,-0.1 0.601 67.8 70.6 -66.6 -10.0 23.2 23.8 54.4 14 29 A F T 3 S+ 0 0 5 82,-0.1 12,-2.3 38,-0.1 2,-0.2 0.495 75.7 108.5 -79.9 -9.1 20.0 23.7 52.4 15 30 A M E < -J 25 0C 7 -3,-1.7 38,-0.5 10,-0.2 2,-0.3 -0.507 45.4-176.6 -73.6 141.0 21.5 21.2 49.9 16 31 A V E -JK 24 52C 1 8,-2.2 8,-1.7 -2,-0.2 2,-0.4 -0.938 20.6-137.1-131.6 156.7 20.3 17.6 49.8 17 32 A R E -JK 23 51C 26 34,-2.0 34,-2.6 -2,-0.3 2,-0.4 -0.903 21.1-145.5-109.4 131.2 21.5 14.6 47.7 18 33 A L E >> -JK 22 50C 3 4,-3.1 3,-2.0 -2,-0.4 4,-0.9 -0.831 17.3-122.8-104.3 143.4 18.7 12.4 46.4 19 34 A S T 34 S+ 0 0 71 30,-1.8 -1,-0.1 -2,-0.4 31,-0.1 0.743 107.4 62.0 -55.7 -31.5 19.1 8.6 46.0 20 35 A M T 34 S- 0 0 79 29,-0.1 -1,-0.3 1,-0.1 150,-0.0 0.417 127.5 -92.5 -77.4 3.3 18.3 8.5 42.2 21 41 A G T <4 S+ 0 0 21 -3,-2.0 2,-0.3 1,-0.3 151,-0.2 0.880 87.1 117.4 90.2 46.7 21.4 10.7 41.7 22 42 A a E < -J 18 0C 7 -4,-0.9 -4,-3.1 149,-0.1 -1,-0.3 -0.906 56.5-125.8-134.5 160.4 20.0 14.3 41.7 23 43 A G E +J 17 0C 0 149,-2.8 12,-0.4 -2,-0.3 2,-0.3 -0.520 29.2 179.7 -97.7 179.2 20.6 17.3 44.0 24 44 A G E -J 16 0C 0 -8,-1.7 -8,-2.2 -2,-0.2 2,-0.4 -0.963 20.2-128.5-164.4 171.3 17.7 19.2 45.7 25 45 A A E -JL 15 33C 0 8,-1.9 8,-2.7 -2,-0.3 2,-1.2 -0.964 29.0-109.6-132.2 146.8 17.2 22.1 48.1 26 46 A L E + L 0 32C 1 -12,-2.3 71,-2.9 -2,-0.4 6,-0.2 -0.654 36.9 171.3 -79.3 103.7 15.2 22.3 51.3 27 47 A Y E S+ 0 0 57 4,-1.9 2,-0.3 -2,-1.2 -1,-0.2 0.845 82.1 1.4 -74.4 -43.4 12.2 24.4 50.3 28 48 A A E > S- L 0 31C 27 3,-2.2 3,-1.7 -3,-0.2 -1,-0.3 -0.868 93.6 -97.0-135.8 166.4 10.7 23.5 53.7 29 49 A Q T 3 S+ 0 0 69 -2,-0.3 63,-2.6 1,-0.3 61,-0.1 0.780 127.8 27.4 -61.4 -23.0 12.4 21.3 56.4 30 50 A D T 3 S+ 0 0 46 61,-0.2 58,-2.8 1,-0.1 2,-0.4 0.061 111.1 78.8-122.3 22.6 10.4 18.3 55.1 31 51 A I E < -LM 28 87C 10 -3,-1.7 -3,-2.2 56,-0.2 -4,-1.9 -0.947 60.4-161.1-136.4 118.0 9.9 19.4 51.4 32 52 A V E -LM 26 86C 0 54,-3.0 54,-2.8 -2,-0.4 2,-0.5 -0.822 6.7-151.6 -98.6 133.5 12.6 19.1 48.8 33 53 A L E +LM 25 85C 0 -8,-2.7 -8,-1.9 -2,-0.4 2,-0.2 -0.901 37.0 140.6-100.6 130.6 12.4 21.1 45.6 34 54 A T E - M 0 84C 0 50,-3.1 50,-2.3 -2,-0.5 2,-0.3 -0.726 51.8 -60.3-149.3-167.1 14.2 19.3 42.7 35 55 A A > - 0 0 0 -12,-0.4 3,-1.6 48,-0.3 4,-0.4 -0.675 32.3-130.4 -90.6 151.3 13.7 18.7 39.0 36 56 A A G > S+ 0 0 0 -2,-0.3 3,-1.4 1,-0.3 -1,-0.1 0.829 107.2 62.3 -62.4 -33.4 10.7 16.9 37.4 37 57 A H G 3 S+ 0 0 72 1,-0.3 -1,-0.3 47,-0.0 45,-0.0 0.576 90.9 66.6 -75.0 -7.1 13.1 14.8 35.4 38 58 A a G < S+ 0 0 13 -3,-1.6 -1,-0.3 135,-0.0 2,-0.3 0.730 101.8 54.8 -82.1 -18.3 14.6 13.3 38.6 39 59 A V S < S- 0 0 15 -3,-1.4 3,-0.1 -4,-0.4 31,-0.0 -0.766 73.7-136.7-113.6 160.4 11.2 11.6 39.4 40 60 A S S S- 0 0 124 1,-0.3 2,-0.3 -2,-0.3 -1,-0.1 0.749 74.2 -55.7 -86.4 -20.6 9.0 9.2 37.5 41 60AA G - 0 0 22 2,-0.1 -1,-0.3 -5,-0.0 2,-0.1 -0.931 67.0 -62.9 166.2 179.3 5.6 10.9 38.4 42 60BA S S S+ 0 0 77 -2,-0.3 29,-0.2 30,-0.1 2,-0.2 -0.423 71.8 80.9 -85.2 163.9 3.6 12.0 41.4 43 60CA G E S-N 70 0C 31 27,-2.5 27,-2.6 -2,-0.1 2,-0.1 -0.724 84.4 -33.4 131.1-176.0 2.0 10.0 44.2 44 60DA N E +N 69 0C 127 25,-0.2 25,-0.3 -2,-0.2 2,-0.3 -0.481 63.6 166.3 -69.5 144.3 2.9 8.3 47.5 45 61 A N + 0 0 36 23,-2.4 3,-0.2 -2,-0.1 -2,-0.1 -0.809 25.0 173.4-166.0 121.8 6.5 7.0 47.3 46 62 A T + 0 0 91 -2,-0.3 22,-0.1 1,-0.1 23,-0.1 0.063 64.9 91.0-117.3 18.1 8.7 5.9 50.1 47 63 A S + 0 0 76 19,-0.1 2,-0.4 21,-0.1 -1,-0.1 0.499 65.5 87.0 -93.5 -7.8 11.5 4.7 47.9 48 64 A I - 0 0 10 -3,-0.2 19,-2.5 -29,-0.0 2,-0.4 -0.802 58.1-158.0 -96.2 142.7 13.5 7.9 47.8 49 65 A T E - O 0 66C 31 -2,-0.4 -30,-1.8 17,-0.2 2,-0.4 -0.959 1.9-157.3-114.8 135.1 16.2 8.8 50.3 50 66 A A E -KO 18 65C 0 15,-3.5 15,-2.5 -2,-0.4 2,-0.6 -0.904 5.7-155.9-108.0 128.7 17.3 12.4 50.9 51 67 A T E +KO 17 64C 18 -34,-2.6 -34,-2.0 -2,-0.4 2,-0.2 -0.974 25.2 169.3-109.6 118.3 20.8 12.9 52.4 52 68 A G E +KO 16 63C 1 11,-3.2 11,-2.6 -2,-0.6 -36,-0.1 -0.695 40.3 40.6-127.6 170.7 21.1 16.2 54.2 53 69 A G S S+ 0 0 14 -38,-0.5 2,-0.3 -40,-0.5 -1,-0.1 0.334 93.2 79.1 77.6 2.1 23.5 18.1 56.5 54 70 A V - 0 0 12 -39,-0.2 -1,-0.1 9,-0.1 9,-0.1 -0.977 55.6-156.2-139.2 152.5 26.9 17.2 55.1 55 71 A V S S+ 0 0 14 -2,-0.3 73,-1.4 1,-0.1 2,-0.7 0.704 92.3 68.2 -90.3 -29.7 29.2 18.1 52.2 56 72 A D B > S-Q 127 0D 31 71,-0.2 3,-2.2 1,-0.1 71,-0.2 -0.800 70.4-159.8 -96.6 111.1 30.8 14.6 52.5 57 73 A L T 3 S+ 0 0 40 69,-2.8 -1,-0.1 -2,-0.7 70,-0.1 0.707 93.0 56.5 -62.9 -22.2 28.3 11.9 51.5 58 75 A Q T 3 S+ 0 0 139 68,-0.2 -1,-0.3 3,-0.0 2,-0.1 0.393 82.2 127.0 -89.9 0.2 30.3 9.3 53.4 59 76 A S X - 0 0 38 -3,-2.2 3,-1.6 1,-0.1 -5,-0.0 -0.316 60.9-143.8 -62.8 136.6 30.0 11.4 56.7 60 77 A G T 3 S+ 0 0 86 1,-0.3 -1,-0.1 -2,-0.1 -3,-0.0 0.732 103.1 66.5 -71.7 -21.5 28.7 9.6 59.8 61 79 A A T 3 S+ 0 0 69 -5,-0.1 -1,-0.3 2,-0.1 -2,-0.1 0.450 75.6 125.0 -76.6 -3.6 27.0 13.0 60.4 62 80 A A < - 0 0 20 -3,-1.6 2,-0.6 -6,-0.1 -9,-0.2 -0.307 55.1-144.1 -57.6 143.2 24.8 12.5 57.3 63 81 A V E -O 52 0C 62 -11,-2.6 -11,-3.2 -9,-0.1 2,-0.5 -0.980 17.9-167.7-108.4 119.4 21.0 12.8 58.0 64 82 A K E +O 51 0C 141 -2,-0.6 2,-0.4 -13,-0.2 -13,-0.2 -0.963 9.4 174.9-116.0 120.2 19.1 10.3 55.7 65 83 A V E -O 50 0C 6 -15,-2.5 -15,-3.5 -2,-0.5 2,-0.2 -0.966 22.9-130.7-127.3 143.7 15.4 10.6 55.4 66 84 A R E -O 49 0C 129 -2,-0.4 23,-2.9 -17,-0.3 24,-0.3 -0.556 23.7-119.3 -88.9 148.1 12.8 8.7 53.3 67 85 A S E - P 0 88C 1 -19,-2.5 21,-0.3 21,-0.2 3,-0.1 -0.360 17.8-170.9 -80.2 168.4 10.2 10.4 51.1 68 86 A T E S+ 0 0 50 19,-2.6 -23,-2.4 1,-0.5 2,-0.3 0.516 70.3 8.1-126.8 -36.2 6.5 9.9 51.6 69 87 A K E -NP 44 87C 65 18,-1.2 18,-2.5 -25,-0.3 -1,-0.5 -0.978 56.4-149.7-150.8 159.4 5.1 11.6 48.5 70 88 A V E -NP 43 86C 3 -27,-2.6 -27,-2.5 -2,-0.3 2,-0.5 -0.986 3.1-167.5-130.2 137.0 6.2 13.1 45.2 71 89 A L E - P 0 85C 31 14,-3.1 14,-2.5 -2,-0.4 2,-0.2 -0.919 11.1-168.1-125.1 103.6 4.5 16.0 43.3 72 90 A Q E - P 0 84C 29 -2,-0.5 12,-0.3 12,-0.2 -30,-0.1 -0.628 44.1 -82.4 -84.2 148.9 6.0 16.3 39.8 73 91 A A > - 0 0 2 10,-2.6 3,-2.0 8,-0.3 -1,-0.1 -0.251 57.4-102.8 -52.3 129.5 5.0 19.5 37.8 74 92 A P T 3 S+ 0 0 100 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.455 104.8 12.7 -59.6 129.0 1.5 18.9 36.3 75 93 A G T 3 S+ 0 0 65 1,-0.2 -2,-0.1 -2,-0.1 2,-0.1 0.551 82.3 167.6 79.6 11.4 1.8 18.1 32.6 76 94 A Y < + 0 0 56 -3,-2.0 -1,-0.2 1,-0.1 5,-0.1 -0.396 5.6 161.3 -57.4 134.0 5.6 17.6 32.7 77 95 A N - 0 0 119 3,-0.3 -1,-0.1 2,-0.1 4,-0.1 0.185 68.7 -83.9-140.9 16.8 6.5 16.0 29.3 78 96 A G S S+ 0 0 45 2,-0.4 2,-0.5 3,-0.1 -2,-0.1 0.361 108.0 94.3 96.1 -2.5 10.2 16.7 29.1 79 98 A T S S- 0 0 87 1,-0.1 -2,-0.1 2,-0.1 2,-0.1 -0.876 97.7 -42.6-126.2 100.0 9.8 20.2 27.7 80 100 A G S S+ 0 0 5 -2,-0.5 -2,-0.4 -4,-0.1 -3,-0.3 -0.261 101.6 86.9 80.3-170.3 9.9 23.0 30.3 81 101 A K + 0 0 69 1,-0.2 2,-1.9 -5,-0.1 -8,-0.3 0.791 54.8 170.2 43.3 42.4 8.1 22.8 33.7 82 102 A D + 0 0 7 71,-0.3 2,-0.3 -47,-0.1 125,-0.2 -0.520 31.0 104.3 -85.0 72.5 11.2 21.0 35.1 83 103 A W + 0 0 7 -2,-1.9 -10,-2.6 -48,-0.3 2,-0.3 -0.977 36.1 172.0-148.6 153.2 10.3 21.0 38.8 84 104 A A E -MP 34 72C 0 -50,-2.3 -50,-3.1 -2,-0.3 2,-0.4 -0.982 21.0-138.5-155.0 154.7 9.1 18.6 41.5 85 105 A L E -MP 33 71C 0 -14,-2.5 -14,-3.1 -2,-0.3 2,-0.5 -0.954 10.7-158.8-117.7 139.4 8.5 18.5 45.3 86 106 A I E -MP 32 70C 0 -54,-2.8 -54,-3.0 -2,-0.4 2,-0.4 -0.991 9.9-146.8-115.7 120.0 9.4 15.6 47.5 87 107 A K E -MP 31 69C 39 -18,-2.5 -19,-2.6 -2,-0.5 -18,-1.2 -0.737 18.8-142.2 -86.1 131.3 7.7 15.3 50.9 88 108 A L E - 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