==== 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 3I78 . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOMYCES GRISEUS; . AUTHOR M.J.PAGE,E.DI CERA . 229 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9939.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 154 67.2 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 . 77 33.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 1.3 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 . 26 11.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 17 7.4 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 1 0 0 0 0 1 0 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 . 4 3 1 4 3 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 3,-0.9 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 108.2 46.5 -8.5 -6.5 2 17 A V B 3 -A 172 0A 10 170,-2.3 170,-1.1 1,-0.3 124,-0.1 -0.439 360.0 -9.8 -69.4 121.0 49.2 -7.8 -9.2 3 18 A G T 3 S+ 0 0 48 122,-0.4 -1,-0.3 -2,-0.3 2,-0.3 0.935 96.0 143.8 58.3 53.8 47.8 -7.9 -12.7 4 19 A G < - 0 0 23 -3,-0.9 134,-0.2 134,-0.1 2,-0.2 -0.708 42.6-129.6-112.3 169.7 44.4 -9.4 -12.0 5 20 A T E -B 137 0B 88 132,-1.9 132,-2.9 -2,-0.3 2,-0.4 -0.567 41.7 -73.6-107.3 179.7 41.0 -8.8 -13.5 6 21 A R E -B 136 0B 136 130,-0.2 130,-0.2 -2,-0.2 2,-0.2 -0.589 37.7-127.0 -83.2 128.3 37.7 -8.1 -11.7 7 22 A A - 0 0 3 128,-2.5 2,-0.2 -2,-0.4 128,-0.1 -0.523 30.8-120.2 -60.6 133.0 35.8 -10.7 -9.7 8 23 A A > - 0 0 54 -2,-0.2 3,-2.0 1,-0.1 4,-0.5 -0.549 41.5 -87.6 -71.2 145.5 32.3 -10.9 -10.9 9 24 A Q T 3 S+ 0 0 120 1,-0.3 -1,-0.1 -2,-0.2 50,-0.1 -0.393 114.7 8.8 -54.5 126.0 29.8 -10.1 -8.2 10 25 A G T 3 S+ 0 0 36 48,-0.2 -1,-0.3 2,-0.1 49,-0.1 0.325 94.5 117.6 84.7 -5.0 29.0 -13.4 -6.4 11 26 A E S < S+ 0 0 65 -3,-2.0 -2,-0.1 1,-0.3 3,-0.1 0.993 91.1 14.7 -59.9 -70.2 31.7 -15.4 -8.2 12 27 A F S > S+ 0 0 6 -4,-0.5 3,-1.2 1,-0.1 -1,-0.3 -0.720 79.4 167.7-103.6 87.0 33.7 -16.3 -5.2 13 28 A P T 3 + 0 0 27 0, 0.0 45,-0.4 0, 0.0 -1,-0.1 0.417 62.8 74.7 -89.9 6.7 31.2 -15.5 -2.5 14 29 A F T 3 S+ 0 0 6 87,-0.1 17,-2.0 89,-0.1 90,-0.2 0.355 76.2 121.2 -87.5 -1.3 33.0 -17.1 0.4 15 30 A M E < -J 30 0C 7 -3,-1.2 43,-0.5 15,-0.2 2,-0.4 -0.408 43.6-170.6 -66.3 136.8 35.3 -14.1 0.2 16 31 A V E -JK 29 57C 0 13,-2.6 13,-1.2 -2,-0.1 2,-0.5 -0.983 17.0-148.1-127.0 141.2 35.8 -11.8 3.2 17 32 A R E -JK 28 56C 3 39,-2.5 39,-2.5 -2,-0.4 2,-0.4 -0.957 25.2-156.4-106.1 122.7 37.5 -8.5 3.6 18 33 A L E -JK 27 55C 7 9,-2.3 9,-1.6 -2,-0.5 2,-0.4 -0.805 17.1-179.0-108.5 134.8 39.0 -8.1 7.1 19 34 A I E -JK 26 54C 46 35,-1.1 35,-2.0 -2,-0.4 2,-1.2 -0.947 12.0-158.1-136.6 116.5 39.9 -4.9 9.0 20 35 A N E >>> -JK 25 53C 4 5,-3.0 4,-2.5 -2,-0.4 5,-1.0 -0.658 6.3-171.9-101.0 83.6 41.4 -5.1 12.4 21 36 A E T 345S+ 0 0 117 -2,-1.2 -1,-0.1 31,-0.8 32,-0.1 0.297 84.1 59.5 -54.3 16.4 40.7 -1.9 14.2 22 37 A E T 345S+ 0 0 125 -2,-1.0 -1,-0.2 3,-0.1 22,-0.1 0.773 118.6 19.2-113.4 -51.5 43.0 -3.3 16.8 23 38 A N T <45S- 0 0 55 -3,-0.6 -2,-0.2 20,-0.2 21,-0.0 0.356 107.0-115.3 -99.7 4.2 46.3 -3.9 15.1 24 39 A E T <5 + 0 0 171 -4,-2.5 2,-0.4 1,-0.2 -3,-0.2 0.919 63.6 154.9 72.2 45.4 45.3 -1.6 12.3 25 40 A G E < -J 20 0C 18 -5,-1.0 -5,-3.0 18,-0.1 2,-0.6 -0.903 40.3-157.6-130.2 139.1 45.3 -4.3 9.7 26 41 A F E +J 19 0C 102 -2,-0.4 -7,-0.2 -7,-0.2 152,-0.2 -0.893 30.1 152.1-116.7 108.2 43.8 -5.3 6.4 27 42 A a E -J 18 0C 10 -9,-1.6 -9,-2.3 -2,-0.6 2,-0.2 -0.594 37.6-117.6-121.0 178.3 43.5 -8.9 5.3 28 43 A G E +J 17 0C 0 150,-3.8 12,-0.4 -11,-0.2 2,-0.3 -0.631 34.1 173.6-102.8 172.7 41.5 -11.3 3.2 29 44 A G E -J 16 0C 0 -13,-1.2 -13,-2.6 -2,-0.2 2,-0.4 -0.974 23.6-131.5-169.0 166.2 39.7 -14.3 4.5 30 45 A A E -JL 15 38C 0 8,-2.8 8,-4.8 -2,-0.3 2,-1.0 -0.982 28.4-114.3-127.6 143.1 37.3 -17.2 3.7 31 46 A L E + L 0 37C 2 -17,-2.0 73,-1.6 -2,-0.4 6,-0.3 -0.664 31.4 175.1 -72.1 98.6 34.1 -18.4 5.5 32 47 A Y E S+ 0 0 61 4,-1.8 2,-0.3 -2,-1.0 -1,-0.2 0.937 85.8 4.7 -69.2 -52.5 35.1 -21.8 6.7 33 48 A A E > S- L 0 36C 33 3,-1.5 3,-1.4 -3,-0.2 -1,-0.3 -0.827 97.9 -97.6-111.5 166.1 31.6 -21.7 8.4 34 49 A Q T 3 S+ 0 0 66 -2,-0.3 65,-4.3 1,-0.3 3,-0.1 0.652 128.0 28.6 -58.0 -18.4 29.1 -18.9 7.8 35 50 A D T 3 S+ 0 0 38 63,-0.3 60,-3.2 1,-0.1 2,-0.4 0.210 112.8 75.7-125.4 13.8 30.3 -17.3 11.1 36 51 A I E < -LM 33 94C 11 -3,-1.4 -4,-1.8 58,-0.2 -3,-1.5 -0.991 65.0-158.5-123.5 127.8 33.9 -18.6 11.1 37 52 A V E -LM 31 93C 0 56,-2.8 56,-1.2 -2,-0.4 2,-0.4 -0.886 8.6-144.0-106.3 131.7 36.5 -17.1 8.8 38 53 A L E +LM 30 92C 0 -8,-4.8 -8,-2.8 -2,-0.5 2,-0.2 -0.778 41.6 135.0 -87.9 136.6 39.7 -18.8 7.7 39 54 A T E - M 0 91C 0 52,-1.9 52,-2.2 -2,-0.4 2,-0.2 -0.870 51.0 -51.8-162.3-170.9 42.7 -16.4 7.4 40 55 A A > - 0 0 0 -12,-0.4 3,-1.1 50,-0.2 50,-0.3 -0.552 32.8-137.9 -83.5 142.3 46.4 -15.7 8.1 41 56 A A G > S+ 0 0 0 1,-0.2 3,-1.5 -2,-0.2 -1,-0.1 0.909 105.2 54.4 -59.0 -41.3 47.9 -16.0 11.6 42 57 A H G 3 S+ 0 0 40 1,-0.3 -1,-0.2 44,-0.1 136,-0.0 0.431 90.9 74.7 -78.1 0.7 49.9 -12.8 11.1 43 58 A a G < S+ 0 0 9 -3,-1.1 -1,-0.3 -15,-0.0 2,-0.3 0.451 102.9 41.1 -87.3 -3.3 46.7 -10.9 10.3 44 59 A V S < S- 0 0 8 -3,-1.5 3,-0.1 1,-0.1 -24,-0.0 -0.867 74.3-135.2-142.3 169.2 45.9 -11.0 14.0 45 60 A S - 0 0 87 -2,-0.3 2,-0.2 1,-0.2 -1,-0.1 0.927 68.4 -12.7-104.7 -57.0 47.7 -10.6 17.2 46 60AA G - 0 0 41 2,-0.0 -1,-0.2 1,-0.0 2,-0.2 -0.719 68.0 -96.5-129.5-173.8 46.9 -13.2 19.9 47 60BA S S S+ 0 0 71 -2,-0.2 29,-0.2 29,-0.2 2,-0.2 -0.520 74.7 62.1 -92.9 172.0 44.3 -15.9 20.6 48 60CA G E S-N 75 0C 35 27,-2.0 27,-3.8 -2,-0.2 2,-0.2 -0.627 91.1 -16.8 110.4-167.5 41.2 -15.3 22.8 49 60DA N E +N 74 0C 130 25,-0.3 25,-0.3 -2,-0.2 2,-0.3 -0.534 57.7 170.9 -81.0 139.1 38.2 -13.1 22.7 50 61 A N - 0 0 23 23,-1.7 3,-0.3 -2,-0.2 -2,-0.1 -0.871 23.8-179.7-155.7 115.0 38.2 -10.0 20.4 51 62 A T + 0 0 110 -2,-0.3 21,-0.1 1,-0.2 23,-0.1 0.426 69.8 86.6 -91.1 2.3 35.3 -7.7 19.5 52 63 A S + 0 0 7 19,-0.1 -31,-0.8 21,-0.1 2,-0.2 0.642 60.2 88.4 -84.2 -30.5 37.5 -5.6 17.3 53 64 A I E -K 20 0C 4 -3,-0.3 19,-2.5 -33,-0.2 2,-0.6 -0.541 54.9-153.7 -88.8 142.2 37.7 -7.1 13.7 54 65 A T E -KO 19 71C 15 -35,-2.0 -35,-1.1 -2,-0.2 2,-0.5 -0.905 6.1-166.8-121.9 104.1 35.2 -6.3 11.0 55 66 A A E -KO 18 70C 1 15,-2.0 15,-2.4 -2,-0.6 2,-0.4 -0.767 6.3-162.7 -87.0 128.6 34.6 -8.8 8.3 56 67 A T E +KO 17 69C 6 -39,-2.5 -39,-2.5 -2,-0.5 2,-0.2 -0.916 20.0 162.4-109.0 140.0 32.8 -7.5 5.2 57 68 A G E +KO 16 68C 3 11,-1.3 11,-1.3 -2,-0.4 2,-1.0 -0.802 38.5 51.5-141.3-175.7 31.2 -9.9 2.8 58 69 A G S S+ 0 0 17 -43,-0.5 2,-0.3 -45,-0.4 -48,-0.2 0.031 93.9 80.8 77.2 -32.2 28.7 -10.5 0.1 59 70 A V - 0 0 15 -2,-1.0 9,-0.1 1,-0.1 -1,-0.1 -0.782 56.5-162.1-106.5 151.4 30.1 -7.7 -2.1 60 71 A V S S+ 0 0 15 -2,-0.3 75,-2.8 1,-0.1 2,-0.7 0.522 87.7 72.9 -93.9 -15.8 33.1 -7.6 -4.4 61 72 A D B S-Q 134 0D 29 73,-0.2 3,-0.3 1,-0.1 6,-0.2 -0.896 81.7-145.8-104.1 108.9 32.8 -3.8 -4.2 62 73 A L S S+ 0 0 41 71,-3.4 -1,-0.1 -2,-0.7 72,-0.1 0.578 92.3 43.9 -57.2 -9.0 34.0 -2.8 -0.8 63 75 A Q S S+ 0 0 128 70,-0.2 -1,-0.2 3,-0.0 4,-0.1 0.858 73.0 127.9-106.1 -42.3 31.5 0.0 -0.7 64 76 A S S > S- 0 0 27 -3,-0.3 3,-2.1 1,-0.2 -5,-0.1 0.296 70.2-115.3 -20.2 123.7 28.1 -1.1 -2.0 65 77 A S T 3 S+ 0 0 126 1,-0.3 -1,-0.2 3,-0.0 -2,-0.0 0.679 111.6 63.8 -16.5 -36.2 25.2 -0.4 0.2 66 79 A S T 3 + 0 0 76 2,-0.1 -1,-0.3 -8,-0.0 -2,-0.1 0.698 64.8 119.1 -92.7 -21.6 24.9 -4.1 0.4 67 80 A A < - 0 0 20 -3,-2.1 2,-0.5 -6,-0.2 -9,-0.2 0.007 59.4-131.2 -35.8 152.7 28.0 -5.4 2.1 68 81 A V E -O 57 0C 53 -11,-1.3 -11,-1.3 -9,-0.1 2,-0.5 -0.970 19.4-162.8-110.1 112.4 27.5 -7.2 5.4 69 82 A K E +O 56 0C 136 -2,-0.5 2,-0.4 -13,-0.2 -13,-0.2 -0.867 12.8 176.2 -94.5 124.8 29.8 -6.0 8.2 70 83 A V E -O 55 0C 6 -15,-2.4 -15,-2.0 -2,-0.5 2,-0.2 -0.991 23.4-129.2-132.9 130.8 30.1 -8.4 11.2 71 84 A R E -O 54 0C 100 -2,-0.4 25,-1.2 -17,-0.2 -17,-0.2 -0.522 25.6-112.5 -82.3 140.8 32.3 -8.0 14.3 72 85 A S E - P 0 95C 2 -19,-2.5 23,-0.2 -2,-0.2 3,-0.1 -0.201 24.6-174.1 -62.3 156.5 34.6 -10.7 15.6 73 86 A T E + 0 0 40 21,-1.5 -23,-1.7 1,-0.4 2,-0.3 0.659 69.9 2.4-120.5 -48.3 33.8 -12.3 18.9 74 87 A K E -N 49 0C 80 20,-0.4 20,-3.2 -25,-0.3 -1,-0.4 -0.994 62.2-147.5-145.9 152.9 36.9 -14.6 19.4 75 88 A V E -NP 48 93C 3 -27,-3.8 -27,-2.0 -2,-0.3 2,-0.5 -0.940 3.0-161.6-122.0 130.7 40.1 -15.2 17.5 76 89 A L E - P 0 92C 44 16,-3.1 16,-2.7 -2,-0.4 2,-0.6 -0.863 8.4-171.5-118.3 102.3 42.0 -18.4 17.3 77 90 A Q E - 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