==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 28-SEP-00 1FY5 . COMPND 2 MOLECULE: TRYPSIN; . SOURCE 2 ORGANISM_SCIENTIFIC: FUSARIUM OXYSPORUM; . AUTHOR W.R.RYPNIEWSKI,P.OESTERGAARD,M.NOERREGAARD-MADSEN,M.DAUTER,K . 227 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 8860.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 59.0 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 . 78 34.4 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 . 6 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 6.2 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 1 1 0 0 0 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 . 5 3 2 4 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 0 1 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 2 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 129.1 -2.9 8.1 -7.8 2 17 A V B +A 174 0A 23 172,-3.0 172,-1.9 1,-0.2 125,-0.1 -0.875 360.0 7.4-104.7 130.6 -3.5 8.6 -11.6 3 18 A G S S+ 0 0 45 -2,-0.4 -1,-0.2 123,-0.3 2,-0.1 0.704 101.7 130.3 76.5 20.2 -7.0 8.9 -12.9 4 19 A G - 0 0 29 -3,-0.3 2,-0.3 136,-0.1 136,-0.2 -0.121 49.4-126.9 -96.6-170.7 -8.6 9.0 -9.5 5 20 A T E -B 139 0B 89 134,-2.5 134,-2.4 -3,-0.1 2,-0.2 -0.900 38.8 -80.2-136.1 161.8 -11.0 11.0 -7.5 6 21 A S E -B 138 0B 88 -2,-0.3 132,-0.2 132,-0.2 2,-0.1 -0.448 43.7-125.8 -64.1 132.0 -11.0 12.7 -4.2 7 22 A A - 0 0 9 130,-2.5 2,-0.2 -2,-0.2 -1,-0.1 -0.477 23.7-130.0 -70.5 150.0 -11.6 10.5 -1.2 8 23 A S > - 0 0 67 -2,-0.1 3,-2.4 1,-0.1 -1,-0.1 -0.650 34.7 -82.2 -95.5 154.8 -14.4 11.5 1.2 9 24 A A T 3 S+ 0 0 71 1,-0.3 -1,-0.1 -2,-0.2 3,-0.1 -0.333 120.1 25.8 -54.2 135.1 -14.1 11.8 5.0 10 25 A G T 3 S+ 0 0 35 1,-0.4 -1,-0.3 89,-0.2 2,-0.2 0.341 90.1 127.9 86.8 -8.0 -14.4 8.4 6.5 11 26 A D S < S+ 0 0 48 -3,-2.4 -1,-0.4 1,-0.2 4,-0.2 -0.529 81.2 3.5 -67.7 151.0 -13.2 6.6 3.4 12 27 A F S > S- 0 0 25 -2,-0.2 3,-2.1 1,-0.2 -1,-0.2 0.925 77.6-174.3 41.9 60.6 -10.3 4.1 4.1 13 28 A P T 3 S+ 0 0 48 0, 0.0 88,-1.6 0, 0.0 43,-0.3 0.740 78.8 53.5 -64.3 -19.0 -10.5 4.8 7.9 14 29 A F T 3 S+ 0 0 17 86,-0.2 16,-3.3 88,-0.1 89,-0.2 0.432 83.3 116.3 -89.0 -4.7 -7.4 2.6 8.5 15 30 A I E < -K 29 0C 9 -3,-2.1 41,-0.7 14,-0.2 2,-0.4 -0.433 43.5-169.4 -74.1 144.6 -5.2 4.5 6.0 16 31 A V E -KL 28 55C 0 12,-2.4 12,-1.9 39,-0.1 2,-0.4 -0.962 17.1-137.3-125.5 147.7 -2.1 6.3 7.2 17 32 A S E -KL 27 54C 8 37,-2.2 37,-2.3 -2,-0.4 2,-0.5 -0.806 18.9-152.2 -94.4 144.9 0.2 8.7 5.4 18 33 A I E -KL 26 53C 5 8,-2.7 8,-2.3 -2,-0.4 7,-0.9 -0.974 9.3-167.4-125.8 115.0 3.9 8.1 6.0 19 34 A S E -KL 24 52C 22 33,-2.6 33,-1.8 -2,-0.5 2,-0.4 -0.667 5.3-156.5 -95.3 158.6 6.3 11.0 5.8 20 35 A R E > S-KL 23 51C 62 3,-2.5 3,-2.0 -2,-0.3 31,-0.2 -0.996 78.7 -8.8-135.9 126.2 10.1 10.7 5.7 21 37 A N T 3 S- 0 0 130 29,-2.3 30,-0.1 -2,-0.4 -1,-0.1 0.833 130.1 -58.7 55.6 31.2 12.4 13.6 6.8 22 38 A G T 3 S+ 0 0 74 28,-0.6 -1,-0.3 1,-0.3 29,-0.1 0.481 119.0 99.2 81.8 -1.0 9.2 15.7 7.0 23 39 A G E < S-K 20 0C 25 -3,-2.0 -3,-2.5 1,-0.1 -1,-0.3 -0.755 84.8 -78.5-115.3 164.0 8.3 15.2 3.3 24 40 A P E +K 19 0C 70 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 -0.265 59.3 144.6 -62.9 148.2 5.8 12.9 1.6 25 41 A W E - 0 0 82 -7,-0.9 155,-0.3 1,-0.4 2,-0.2 0.450 51.6 -19.7-144.9 -66.3 7.0 9.3 1.2 26 42 A a E -K 18 0C 8 -8,-2.3 -8,-2.7 153,-0.1 -1,-0.4 -0.814 47.0-121.9-145.1 176.5 4.5 6.4 1.4 27 43 A G E +K 17 0C 1 153,-2.8 12,-0.4 -2,-0.2 2,-0.3 -0.755 27.0 176.2-117.5 176.6 1.2 5.2 2.6 28 44 A G E -K 16 0C 0 -12,-1.9 -12,-2.4 -2,-0.3 2,-0.4 -0.953 26.8-108.6-166.2-177.9 0.2 2.4 4.9 29 45 A S E -KM 15 37C 3 8,-2.3 8,-2.8 -2,-0.3 2,-0.6 -0.990 23.5-129.9-130.6 128.0 -2.6 0.6 6.7 30 46 A L E + M 0 36C 0 -16,-3.3 73,-2.4 -2,-0.4 6,-0.2 -0.655 25.8 177.2 -79.7 117.5 -3.4 0.7 10.5 31 47 A L E - 0 0 18 4,-2.6 2,-0.3 -2,-0.6 -1,-0.2 0.761 66.3 -21.9 -90.1 -33.1 -3.8 -2.9 11.6 32 48 A N E > S- M 0 35C 40 3,-1.1 3,-1.4 69,-0.1 -1,-0.3 -0.897 90.8 -66.4-165.6-178.2 -4.3 -2.2 15.4 33 49 A A T 3 S+ 0 0 30 -2,-0.3 61,-2.6 1,-0.3 59,-0.1 0.733 131.1 25.7 -61.6 -25.8 -3.5 0.6 17.8 34 50 A N T 3 S+ 0 0 61 59,-0.2 56,-2.3 190,-0.2 2,-0.4 0.243 109.1 79.3-122.2 19.1 0.3 0.1 17.6 35 51 A T E < -MN 32 89C 0 -3,-1.4 -4,-2.6 54,-0.2 -3,-1.1 -0.988 45.5-175.7-140.9 131.7 0.9 -1.5 14.1 36 52 A V E -MN 30 88C 0 52,-2.4 52,-3.1 -2,-0.4 2,-0.5 -0.962 15.5-147.0-120.7 139.8 1.0 -0.3 10.5 37 53 A L E +MN 29 87C 1 -8,-2.8 -8,-2.3 -2,-0.4 2,-0.2 -0.898 33.5 150.6 -99.7 128.6 1.4 -2.4 7.4 38 54 A T E - N 0 86C 0 48,-2.4 48,-2.5 -2,-0.5 2,-0.3 -0.803 51.0 -71.4-140.6-176.6 3.4 -0.9 4.5 39 55 A A > - 0 0 0 -12,-0.4 3,-1.2 46,-0.3 4,-0.5 -0.647 36.8-132.0 -78.2 141.4 5.6 -1.9 1.7 40 56 A A G >> S+ 0 0 0 -2,-0.3 4,-2.9 1,-0.3 3,-1.6 0.877 105.4 61.3 -58.9 -38.8 9.1 -3.2 2.6 41 57 A H G 34 S+ 0 0 26 1,-0.3 -1,-0.3 2,-0.2 44,-0.0 0.739 95.1 63.5 -68.2 -16.0 10.7 -1.0 0.0 42 58 A a G <4 S+ 0 0 1 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.731 124.2 10.6 -70.8 -26.6 9.3 2.1 1.8 43 59 A V T X4 S+ 0 0 4 -3,-1.6 3,-1.5 -4,-0.5 -2,-0.2 0.608 85.6 124.5-125.6 -28.3 11.3 1.4 5.0 44 59AA S T 3< S- 0 0 50 -4,-2.9 3,-0.1 1,-0.3 29,-0.0 -0.253 93.2 -9.3 -60.2 128.1 14.0 -1.4 4.6 45 59BA G T 3 S+ 0 0 88 1,-0.2 -1,-0.3 0, 0.0 2,-0.1 0.176 103.5 120.4 75.0 -14.1 17.4 -0.2 5.6 46 59CA Y S < S- 0 0 87 -3,-1.5 2,-0.2 1,-0.1 -1,-0.2 -0.494 80.7 -88.2 -79.0 149.7 16.4 3.5 5.9 47 59DA A > - 0 0 67 1,-0.2 3,-1.6 -2,-0.1 4,-0.2 -0.415 33.9-145.7 -61.5 126.1 16.9 5.2 9.3 48 60 A Q G > S+ 0 0 79 1,-0.3 3,-1.8 -2,-0.2 21,-0.3 0.803 91.6 70.9 -66.2 -27.4 13.7 4.6 11.2 49 61 A S G 3 S+ 0 0 117 1,-0.3 -1,-0.3 19,-0.1 -2,-0.1 0.713 86.3 68.7 -64.8 -17.9 13.9 8.0 12.9 50 62 A G G < S+ 0 0 14 -3,-1.6 -29,-2.3 -30,-0.1 -28,-0.6 0.642 85.4 88.1 -73.1 -14.3 13.0 9.7 9.7 51 63 A F E < +L 20 0C 6 -3,-1.8 18,-0.5 -31,-0.2 2,-0.4 -0.638 45.8 177.7 -97.7 145.9 9.5 8.4 9.6 52 64 A Q E -LO 19 68C 74 -33,-1.8 -33,-2.6 -2,-0.3 2,-0.3 -0.998 15.6-149.0-137.9 137.7 6.2 9.7 10.9 53 65 A I E -LO 18 67C 0 14,-2.9 14,-2.0 -2,-0.4 2,-0.4 -0.829 7.6-164.6-102.8 145.3 2.8 8.2 10.5 54 65AA R E -LO 17 66C 39 -37,-2.3 -37,-2.2 -2,-0.3 2,-0.3 -1.000 9.9-178.7-131.8 128.6 -0.5 10.2 10.4 55 66 A A E +LO 16 65C 2 10,-2.7 10,-2.3 -2,-0.4 -39,-0.1 -0.869 56.2 31.8-120.7 155.0 -3.9 8.6 10.8 56 69 A G S S+ 0 0 25 -41,-0.7 2,-0.3 -2,-0.3 8,-0.3 0.727 92.4 97.4 78.1 21.6 -7.5 10.0 10.7 57 70 A S - 0 0 34 -42,-0.3 -1,-0.2 6,-0.2 6,-0.1 -1.000 64.7-145.3-141.5 143.6 -7.0 12.8 8.2 58 71 A L S S+ 0 0 52 -2,-0.3 79,-2.1 -3,-0.1 2,-0.3 0.744 89.7 77.7 -70.2 -25.4 -7.6 13.3 4.5 59 72 A S B -Q 136 0D 14 3,-0.4 77,-0.2 77,-0.2 -42,-0.2 -0.696 66.3-157.7 -87.2 142.2 -4.5 15.5 4.6 60 73 A R S S+ 0 0 48 75,-2.0 -1,-0.1 -2,-0.3 76,-0.1 0.563 94.5 46.2 -84.3 -11.9 -1.0 14.1 4.7 61 74 A T S S+ 0 0 66 74,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.682 117.3 18.0-104.5 -21.7 0.4 17.3 6.2 62 75 A S S S+ 0 0 68 73,-0.2 -3,-0.4 -8,-0.0 -1,-0.2 -0.978 89.6 31.0-153.4 157.8 -2.1 18.2 9.0 63 76 A G S S+ 0 0 44 -2,-0.3 -6,-0.2 1,-0.2 -8,-0.1 -0.060 75.3 59.4 82.3 176.2 -4.9 16.9 11.2 64 80 A G S S- 0 0 44 -8,-0.3 2,-0.4 -10,-0.1 -8,-0.2 -0.316 93.9 -48.4 68.5-152.4 -5.5 13.5 12.7 65 81 A I E -O 55 0C 73 -10,-2.3 -10,-2.7 -3,-0.1 2,-0.3 -0.980 51.9-156.5-126.2 134.2 -3.1 11.7 15.1 66 82 A T E -O 54 0C 52 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.2 -0.755 10.3-179.9-111.4 161.7 0.6 11.1 14.5 67 83 A S E -O 53 0C 3 -14,-2.0 -14,-2.9 -2,-0.3 2,-0.1 -0.985 19.9-138.2-152.2 147.5 3.2 8.7 15.7 68 84 A S E -O 52 0C 62 -2,-0.3 23,-2.5 -16,-0.2 24,-0.5 -0.336 40.9 -95.2 -83.5 177.5 6.9 8.0 15.3 69 85 A L E -P 90 0C 20 -18,-0.5 21,-0.3 -21,-0.3 3,-0.1 -0.803 27.1-175.1-101.8 142.7 8.2 4.4 14.9 70 86 A S E S- 0 0 69 19,-2.9 2,-0.3 -2,-0.4 20,-0.2 0.711 75.0 -7.0 -97.5 -32.0 9.5 2.1 17.6 71 87 A S E -P 89 0C 48 18,-1.2 18,-2.4 -23,-0.1 2,-0.4 -0.983 53.9-146.2-160.4 164.2 10.5 -0.7 15.3 72 88 A V E -P 88 0C 34 -2,-0.3 2,-0.4 16,-0.2 16,-0.2 -1.000 11.8-175.5-136.5 131.6 10.5 -2.0 11.7 73 89 A R E -P 87 0C 112 14,-2.5 14,-2.8 -2,-0.4 2,-0.2 -0.975 9.1-160.2-131.9 118.0 10.2 -5.6 10.6 74 90 A V E -P 86 0C 42 -2,-0.4 12,-0.2 12,-0.2 10,-0.1 -0.622 41.0 -85.3 -90.9 154.7 10.4 -6.6 6.9 75 91 A H > - 0 0 27 10,-2.5 3,-2.3 8,-0.3 -1,-0.1 -0.320 42.0-122.2 -54.0 138.4 9.1 -9.9 5.5 76 92 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.687 111.2 45.8 -64.8 -17.8 12.0 -12.4 6.0 77 93 A S T 3 S+ 0 0 75 6,-0.1 2,-0.1 2,-0.0 -2,-0.1 0.112 81.5 140.2-106.2 15.7 12.1 -13.1 2.3 78 94 A Y < + 0 0 53 -3,-2.3 2,-0.3 7,-0.1 5,-0.2 -0.396 16.0 156.7 -58.5 130.5 11.9 -9.5 1.1 79 95 A S B > -R 82 0E 87 3,-2.2 3,-2.6 -2,-0.1 2,-0.4 -0.779 61.0 -56.7-155.0 113.6 14.0 -8.8 -1.9 80 96 A G T 3 S- 0 0 44 1,-0.3 -39,-0.1 -2,-0.3 -40,-0.0 -0.386 125.7 -5.1 64.8-115.1 13.5 -6.0 -4.4 81 99 A N T 3 S+ 0 0 58 -2,-0.4 3,-0.5 -3,-0.1 2,-0.3 0.585 117.9 92.0 -83.1 -18.2 10.0 -6.4 -5.8 82 100 A N B < S+R 79 0E 44 -3,-2.6 -3,-2.2 1,-0.2 3,-0.1 -0.643 94.2 0.3 -94.8 142.3 9.3 -9.7 -4.0 83 101 A N S S- 0 0 14 -2,-0.3 2,-1.8 -5,-0.2 -8,-0.3 0.931 79.3-178.4 57.1 50.2 7.6 -10.2 -0.6 84 102 A D + 0 0 2 -3,-0.5 2,-0.3 78,-0.2 127,-0.2 -0.379 31.4 110.2 -91.9 61.9 7.3 -6.5 -0.3 85 103 A L - 0 0 0 -2,-1.8 -10,-2.5 -46,-0.3 2,-0.3 -0.978 37.4-176.8-131.9 150.5 5.6 -6.0 3.1 86 104 A A E -NP 38 74C 0 -48,-2.5 -48,-2.4 -2,-0.3 2,-0.5 -0.990 19.8-137.3-142.3 149.5 6.8 -4.6 6.4 87 105 A I E -NP 37 73C 2 -14,-2.8 -14,-2.5 -2,-0.3 2,-0.5 -0.929 19.1-162.2-106.2 126.4 5.3 -4.3 9.9 88 106 A L E -NP 36 72C 0 -52,-3.1 -52,-2.4 -2,-0.5 2,-0.4 -0.923 6.9-148.7-108.2 132.9 5.9 -1.0 11.7 89 107 A K E -NP 35 71C 38 -18,-2.4 -19,-2.9 -2,-0.5 -18,-1.2 -0.864 19.6-133.1-101.2 136.5 5.4 -0.7 15.4 90 108 A L E - 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