==== 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) 07-MAR-94 1TRY . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: FUSARIUM OXYSPORUM; . AUTHOR W.R.RYPNIEWSKI,C.DAMBMANN,C.VON DER OSTEN,M.DAUTER, . 224 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8875.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 61.2 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 . 76 33.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 2 0.9 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 . 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 . 8 3.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 16 7.1 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 1 0 0 0 1 0 0 1 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 . 4 2 4 3 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 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 1 0, 0.0 2,-0.5 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 130.2 -16.4 38.7 4.5 2 17 A V B +A 174 0A 17 172,-3.4 172,-1.5 1,-0.2 125,-0.1 -0.846 360.0 2.0-101.7 128.0 -17.0 38.1 0.8 3 18 A G S S+ 0 0 46 123,-0.5 -1,-0.2 -2,-0.5 123,-0.1 0.712 100.8 131.1 70.0 27.4 -20.6 38.4 -0.6 4 19 A G - 0 0 36 -3,-0.3 2,-0.3 170,-0.1 136,-0.2 -0.015 48.9-128.4 -94.4-170.6 -22.1 39.3 2.7 5 20 A T E -B 139 0B 84 134,-2.6 134,-2.9 -3,-0.1 2,-0.2 -0.894 38.6 -79.5-139.3 162.4 -24.5 41.8 4.0 6 21 A S E -B 138 0B 80 -2,-0.3 132,-0.3 132,-0.2 2,-0.2 -0.532 45.8-123.9 -71.1 138.6 -24.4 44.2 7.0 7 22 A A - 0 0 10 130,-2.5 2,-0.2 -2,-0.2 -1,-0.1 -0.486 22.1-127.0 -79.4 151.2 -25.2 42.7 10.3 8 23 A S > - 0 0 71 -2,-0.2 3,-2.5 1,-0.1 4,-0.3 -0.645 38.3 -82.8 -95.7 151.7 -28.0 44.2 12.4 9 24 A A T 3 S+ 0 0 64 1,-0.3 -1,-0.1 -2,-0.2 48,-0.0 -0.365 118.8 17.8 -56.4 134.4 -27.6 45.4 16.0 10 25 A G T 3 S+ 0 0 32 89,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.421 87.7 118.3 77.1 8.2 -27.9 42.4 18.2 11 26 A D S < S+ 0 0 47 -3,-2.5 -2,-0.1 1,-0.3 3,-0.1 0.861 91.5 17.4 -62.5 -43.9 -27.3 39.8 15.5 12 27 A F S > S+ 0 0 14 -4,-0.3 3,-1.9 87,-0.1 -1,-0.3 -0.730 71.8 177.9-129.0 77.8 -24.2 38.4 17.1 13 28 A P T 3 S+ 0 0 43 0, 0.0 88,-1.6 0, 0.0 43,-0.3 0.719 81.4 49.0 -59.2 -22.4 -24.3 39.6 20.7 14 29 A F T 3 S+ 0 0 10 86,-0.2 16,-3.2 88,-0.1 89,-0.2 0.420 81.3 118.3 -98.4 -1.4 -21.1 37.8 21.5 15 30 A I E < -J 29 0C 7 -3,-1.9 41,-0.6 14,-0.2 2,-0.3 -0.455 40.3-171.5 -74.9 144.1 -18.9 38.9 18.6 16 31 A V E -JK 28 55C 0 12,-2.2 12,-1.6 39,-0.1 2,-0.4 -0.926 17.8-137.6-129.4 145.2 -15.8 40.9 19.4 17 32 A S E -JK 27 54C 9 37,-2.2 37,-1.9 -2,-0.3 2,-0.5 -0.866 17.9-151.5 -99.7 141.2 -13.4 42.7 17.0 18 33 A I E -JK 26 53C 3 8,-2.7 8,-2.5 -2,-0.4 7,-1.0 -0.973 10.4-167.3-117.0 114.1 -9.7 42.2 17.8 19 34 A S E -JK 24 52C 25 33,-2.9 33,-1.6 -2,-0.5 2,-0.4 -0.694 3.2-160.3 -97.9 157.9 -7.3 45.0 16.8 20 35 A R E > S-JK 23 51C 59 3,-2.7 3,-2.1 -2,-0.3 31,-0.2 -0.992 77.6 -5.5-138.3 127.3 -3.5 44.6 16.8 21 37 A N T 3 S- 0 0 130 29,-2.0 30,-0.1 -2,-0.4 -1,-0.1 0.841 130.7 -61.0 55.1 35.8 -1.1 47.6 16.8 22 38 A G T 3 S+ 0 0 74 28,-0.6 -1,-0.3 1,-0.2 29,-0.1 0.561 118.4 102.4 69.3 9.9 -4.3 49.7 16.6 23 39 A G E < S-J 20 0C 25 -3,-2.1 -3,-2.7 1,-0.1 -1,-0.2 -0.814 83.7 -80.3-117.3 164.0 -5.3 48.2 13.2 24 40 A P E +J 19 0C 59 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 -0.252 59.1 146.0 -60.7 143.7 -7.8 45.6 12.2 25 41 A W E - 0 0 82 -7,-1.0 155,-0.3 1,-0.4 2,-0.3 0.432 51.7 -17.3-146.7 -57.0 -6.7 42.0 12.7 26 42 A a E -J 18 0C 9 -8,-2.5 -8,-2.7 153,-0.1 -1,-0.4 -0.878 47.7-119.8-151.7 178.7 -9.2 39.4 13.7 27 43 A G E +J 17 0C 2 153,-2.7 12,-0.4 -2,-0.3 2,-0.3 -0.625 28.3 178.6-115.6 173.0 -12.6 38.5 15.1 28 44 A G E -J 16 0C 0 -12,-1.6 -12,-2.2 -2,-0.2 2,-0.4 -0.972 24.4-114.4-167.5 172.8 -13.5 36.6 18.2 29 45 A S E -JL 15 37C 3 8,-2.5 8,-2.9 -2,-0.3 2,-0.6 -0.992 21.3-130.5-128.1 130.8 -16.4 35.3 20.4 30 46 A L E + L 0 36C 0 -16,-3.2 73,-2.6 -2,-0.4 6,-0.2 -0.724 24.8 176.5 -81.7 121.5 -17.2 36.2 24.0 31 47 A L E - 0 0 20 4,-2.5 2,-0.3 -2,-0.6 -1,-0.2 0.683 67.6 -26.7 -92.6 -33.1 -17.7 33.1 26.0 32 48 A N E > S- L 0 35C 40 3,-1.2 3,-1.0 69,-0.1 -1,-0.3 -0.909 92.2 -57.7-166.4-174.3 -18.3 34.8 29.3 33 49 A A T 3 S+ 0 0 30 -2,-0.3 61,-2.6 1,-0.2 59,-0.0 0.712 131.0 18.5 -56.1 -25.7 -17.3 38.1 31.1 34 50 A N T 3 S+ 0 0 60 59,-0.2 56,-2.2 190,-0.2 2,-0.4 0.262 108.2 85.0-132.2 22.7 -13.6 37.7 30.8 35 51 A T E < -LM 32 89C 0 -3,-1.0 -4,-2.5 54,-0.2 -3,-1.2 -0.987 45.7-174.1-136.0 130.4 -13.0 35.1 28.1 36 52 A V E -LM 30 88C 0 52,-2.7 52,-3.7 -2,-0.4 2,-0.4 -0.969 15.2-145.7-121.2 138.4 -12.7 35.3 24.3 37 53 A L E +LM 29 87C 2 -8,-2.9 -8,-2.5 -2,-0.4 2,-0.2 -0.880 35.1 149.3-101.3 127.5 -12.5 32.5 21.8 38 54 A T E - M 0 86C 0 48,-2.5 48,-2.2 -2,-0.4 2,-0.3 -0.813 51.1 -74.3-143.7-178.4 -10.3 33.2 18.7 39 55 A A >> - 0 0 0 -12,-0.4 3,-1.2 -2,-0.2 4,-0.6 -0.667 34.9-133.4 -83.9 137.4 -8.1 31.5 16.2 40 56 A A H >> S+ 0 0 0 -2,-0.3 4,-3.1 1,-0.2 3,-1.2 0.862 105.5 62.8 -56.1 -37.2 -4.7 30.5 17.5 41 57 A H H 34 S+ 0 0 53 1,-0.3 -1,-0.2 2,-0.2 155,-0.0 0.727 94.5 62.1 -65.4 -19.5 -3.0 32.0 14.4 42 58 A a H <4 S+ 0 0 0 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.790 124.8 12.6 -71.3 -28.3 -4.4 35.4 15.3 43 59 A V H X< S+ 0 0 5 -3,-1.2 3,-1.1 -4,-0.6 -2,-0.2 0.591 84.9 128.2-124.4 -20.2 -2.3 35.4 18.6 44 59AA S T 3< S- 0 0 47 -4,-3.1 3,-0.1 1,-0.3 42,-0.0 -0.374 91.3 -12.7 -56.2 123.9 0.3 32.7 18.6 45 59BA G T 3 S+ 0 0 81 1,-0.2 -1,-0.3 -2,-0.0 2,-0.1 0.077 103.0 122.8 69.7 -9.1 3.7 34.0 19.5 46 59CA Y S < S- 0 0 95 -3,-1.1 2,-0.3 1,-0.1 -1,-0.2 -0.336 77.5 -88.1 -79.5 156.4 2.8 37.7 19.0 47 59DA A > - 0 0 67 1,-0.2 3,-1.3 -2,-0.1 4,-0.2 -0.550 34.2-147.5 -66.6 123.7 3.3 40.4 21.8 48 60 A Q G > S+ 0 0 75 -2,-0.3 3,-1.3 1,-0.3 21,-0.3 0.757 90.7 71.5 -67.4 -23.1 0.0 40.3 23.7 49 61 A S G 3 S+ 0 0 113 1,-0.2 -1,-0.3 19,-0.1 -2,-0.1 0.599 86.3 68.5 -64.6 -14.2 0.2 44.0 24.6 50 62 A G G < S+ 0 0 15 -3,-1.3 -29,-2.0 -30,-0.1 -28,-0.6 0.676 85.9 89.1 -80.2 -13.1 -0.6 44.8 20.9 51 63 A F E < +K 20 0C 7 -3,-1.3 18,-0.4 -31,-0.2 2,-0.3 -0.644 46.5 177.7 -95.7 146.2 -4.1 43.5 21.1 52 64 A Q E -K 19 0C 72 -33,-1.6 -33,-2.9 -2,-0.3 2,-0.3 -0.984 15.1-149.6-140.5 139.2 -7.4 45.2 22.0 53 65 A I E -KN 18 67C 0 14,-2.7 14,-1.9 -2,-0.3 2,-0.4 -0.818 7.1-164.0-110.3 147.2 -10.8 43.6 22.1 54 65AA R E +KN 17 66C 39 -37,-1.9 -37,-2.2 -2,-0.3 2,-0.3 -0.989 10.9 178.7-133.4 123.9 -14.0 45.5 21.4 55 66 A A E +KN 16 65C 1 10,-3.0 10,-2.1 -2,-0.4 -39,-0.1 -0.844 56.2 35.8-122.3 160.4 -17.5 44.2 22.3 56 69 A G S S+ 0 0 30 -41,-0.6 2,-0.4 -2,-0.3 8,-0.3 0.667 93.4 99.9 76.1 19.0 -21.0 45.5 22.0 57 70 A S - 0 0 29 -42,-0.3 -1,-0.2 6,-0.2 6,-0.1 -0.999 62.8-151.8-138.8 145.0 -20.5 47.4 18.7 58 71 A L S S+ 0 0 57 -2,-0.4 79,-2.1 -3,-0.1 2,-0.3 0.670 89.0 77.3 -76.2 -21.9 -21.2 46.8 15.0 59 72 A S B -P 136 0D 10 3,-0.4 77,-0.2 77,-0.2 -42,-0.1 -0.762 68.5-154.4 -93.6 143.1 -18.1 49.0 14.6 60 73 A R S S+ 0 0 49 75,-2.4 -1,-0.1 -2,-0.3 76,-0.1 0.552 94.9 43.7 -85.3 -10.1 -14.6 47.9 15.0 61 74 A T S S+ 0 0 74 74,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.684 116.5 19.1-106.3 -20.3 -13.4 51.5 15.8 62 75 A S S S+ 0 0 69 -8,-0.0 -3,-0.4 3,-0.0 -1,-0.2 -0.962 86.9 38.4-151.9 161.7 -15.9 52.9 18.2 63 76 A G S S+ 0 0 43 -2,-0.3 -6,-0.2 1,-0.2 -8,-0.1 0.005 78.6 49.0 84.1 167.3 -18.7 52.2 20.6 64 80 A G S S- 0 0 46 -8,-0.3 2,-0.4 -10,-0.1 -8,-0.2 -0.211 93.5 -43.3 68.1-158.9 -19.0 49.4 23.1 65 81 A I E -N 55 0C 63 -10,-2.1 -10,-3.0 -3,-0.1 2,-0.3 -0.938 48.0-158.4-115.2 133.7 -16.5 48.2 25.6 66 82 A T E -N 54 0C 50 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.2 -0.734 10.1-179.9-109.0 158.5 -12.9 47.6 25.1 67 83 A S E -N 53 0C 4 -14,-1.9 -14,-2.7 -2,-0.3 2,-0.1 -0.988 20.5-137.4-153.0 151.7 -10.3 45.5 27.0 68 84 A S - 0 0 62 -2,-0.3 23,-2.3 -16,-0.2 24,-0.5 -0.359 40.6 -96.1 -94.5 171.8 -6.7 44.6 26.9 69 85 A L E -O 90 0C 14 -18,-0.4 21,-0.2 -21,-0.3 3,-0.1 -0.842 27.6-175.6-100.1 141.1 -5.5 41.0 27.4 70 86 A S E S- 0 0 63 19,-2.5 2,-0.3 -2,-0.4 20,-0.2 0.720 75.1 -7.0 -96.4 -40.3 -4.4 39.5 30.7 71 87 A S E -O 89 0C 26 18,-1.3 18,-2.8 -23,-0.1 2,-0.4 -0.981 53.8-147.8-158.4 162.0 -3.4 36.1 29.2 72 88 A V E -O 88 0C 24 -2,-0.3 2,-0.5 16,-0.2 16,-0.2 -0.996 6.7-168.3-134.7 128.7 -3.5 34.0 26.0 73 89 A R E -O 87 0C 121 14,-2.8 14,-3.1 -2,-0.4 2,-0.3 -0.959 10.3-165.3-125.4 105.4 -3.8 30.2 25.9 74 90 A V E -O 86 0C 41 -2,-0.5 12,-0.3 12,-0.2 10,-0.1 -0.764 40.6 -90.2 -88.7 138.5 -3.1 28.8 22.4 75 91 A H > - 0 0 29 10,-3.0 3,-1.8 -2,-0.3 -1,-0.1 -0.182 38.2-129.2 -49.0 132.4 -4.2 25.1 21.8 76 92 A P T 3 S+ 0 0 102 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.726 105.6 45.2 -60.7 -25.4 -1.1 23.1 22.8 77 93 A S T 3 S+ 0 0 76 6,-0.1 2,-0.3 2,-0.0 5,-0.1 0.051 76.9 141.7-106.4 17.8 -1.1 21.1 19.6 78 94 A Y < + 0 0 62 -3,-1.8 2,-0.3 7,-0.1 5,-0.2 -0.435 23.2 151.2 -62.8 124.9 -1.7 24.1 17.4 79 95 A S B > -Q 82 0E 89 3,-2.1 3,-2.9 -2,-0.3 2,-0.4 -0.884 58.0 -25.0-168.2 132.9 0.4 23.4 14.3 80 96 A G T 3 S- 0 0 54 -2,-0.3 -39,-0.0 1,-0.3 -2,-0.0 -0.531 126.9 -32.6 66.6-117.9 0.1 24.4 10.8 81 99 A N T 3 S+ 0 0 74 -2,-0.4 3,-0.5 77,-0.1 -1,-0.3 0.250 114.1 110.6-107.8 3.2 -3.5 25.0 10.4 82 100 A N B < S+Q 79 0E 32 -3,-2.9 -3,-2.1 1,-0.2 3,-0.1 -0.668 79.4 7.3 -94.5 148.7 -4.6 22.4 12.9 83 101 A N S S- 0 0 20 -2,-0.3 2,-2.0 -5,-0.2 -8,-0.3 0.907 77.3-178.6 56.7 47.9 -6.2 22.9 16.3 84 102 A D + 0 0 2 -3,-0.5 2,-0.3 78,-0.2 127,-0.2 -0.470 32.8 115.2 -82.2 62.0 -6.5 26.6 15.4 85 103 A L + 0 0 0 -2,-2.0 -10,-3.0 -46,-0.3 2,-0.3 -0.970 35.9 179.4-133.2 148.2 -8.0 27.9 18.6 86 104 A A E -MO 38 74C 0 -48,-2.2 -48,-2.5 -2,-0.3 2,-0.5 -0.974 19.6-140.6-144.2 146.9 -6.9 30.2 21.4 87 105 A I E -MO 37 73C 1 -14,-3.1 -14,-2.8 -2,-0.3 2,-0.4 -0.952 17.8-158.5-110.6 128.6 -8.6 31.3 24.6 88 106 A L E -MO 36 72C 0 -52,-3.7 -52,-2.7 -2,-0.5 2,-0.4 -0.907 4.7-151.6-111.9 136.2 -8.0 35.0 25.6 89 107 A K E -MO 35 71C 40 -18,-2.8 -19,-2.5 -2,-0.4 -18,-1.3 -0.919 19.2-138.9-103.5 132.2 -8.5 36.3 29.2 90 108 A L E - 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