==== 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/HYDROLASE SUBSTRATE 21-AUG-00 1FN8 . 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) . 8832.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 136 59.9 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 . 77 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 . 6 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 24 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 6.6 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 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 3 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 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 1 0, 0.0 2,-0.4 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 128.3 -2.9 8.0 -7.8 2 17 A V B +A 174 0A 22 172,-2.9 172,-1.9 1,-0.2 125,-0.1 -0.872 360.0 8.0-103.2 133.1 -3.4 8.6 -11.6 3 18 A G S S+ 0 0 46 -2,-0.4 -1,-0.2 123,-0.3 2,-0.1 0.723 101.3 134.2 75.8 19.9 -6.9 8.9 -12.9 4 19 A G - 0 0 29 -3,-0.3 2,-0.3 136,-0.1 136,-0.2 -0.174 48.1-128.1 -95.5-174.6 -8.5 9.1 -9.5 5 20 A T E -B 139 0B 89 134,-2.7 134,-2.4 -3,-0.1 2,-0.2 -0.898 39.0 -81.8-131.4 161.2 -11.0 11.0 -7.5 6 21 A S E -B 138 0B 91 -2,-0.3 132,-0.2 132,-0.2 2,-0.1 -0.429 43.8-125.5 -64.2 132.1 -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 -0.465 23.8-129.7 -70.3 150.0 -11.6 10.5 -1.2 8 23 A S > - 0 0 68 -2,-0.1 3,-2.4 1,-0.1 -1,-0.1 -0.651 35.1 -82.2 -94.6 156.0 -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 -0.337 120.0 25.5 -56.1 135.2 -14.1 11.8 5.0 10 25 A G T 3 S+ 0 0 33 1,-0.4 -1,-0.3 89,-0.2 2,-0.2 0.366 89.6 127.9 85.5 -5.9 -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 -0.525 81.5 4.2 -69.3 152.5 -13.2 6.6 3.4 12 27 A F S > S- 0 0 26 -2,-0.2 3,-2.2 1,-0.2 -1,-0.2 0.925 77.4-174.1 40.9 60.5 -10.3 4.1 4.1 13 28 A P T 3 S+ 0 0 49 0, 0.0 88,-1.6 0, 0.0 43,-0.3 0.770 79.4 53.1 -63.8 -18.5 -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 0.422 83.2 116.7 -90.6 -4.1 -7.4 2.6 8.5 15 30 A I E < -K 29 0C 10 -3,-2.2 41,-0.7 14,-0.2 2,-0.4 -0.441 43.0-169.7 -72.8 144.6 -5.2 4.5 6.0 16 31 A V E -KL 28 55C 0 12,-2.4 12,-1.9 39,-0.2 2,-0.4 -0.959 17.2-137.2-125.6 148.5 -2.1 6.3 7.2 17 32 A S E -KL 27 54C 8 37,-2.2 37,-2.2 -2,-0.4 2,-0.5 -0.811 18.6-152.0 -94.4 145.9 0.2 8.6 5.4 18 33 A I E -KL 26 53C 4 8,-2.7 8,-2.4 -2,-0.4 7,-0.9 -0.970 9.6-167.7-125.9 113.7 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 -0.651 5.5-156.3 -94.7 159.0 6.3 11.0 5.8 20 35 A R E > S-KL 23 51C 61 3,-2.7 3,-2.0 -2,-0.2 31,-0.2 -0.994 78.7 -8.7-135.7 125.3 10.1 10.7 5.7 21 37 A N T 3 S- 0 0 131 29,-2.3 30,-0.1 -2,-0.4 -1,-0.1 0.832 130.1 -58.4 57.0 30.4 12.3 13.5 6.8 22 38 A G T 3 S+ 0 0 74 28,-0.6 -1,-0.3 1,-0.3 29,-0.1 0.459 119.3 99.5 81.9 -1.4 9.2 15.7 7.0 23 39 A G E < S-K 20 0C 26 -3,-2.0 -3,-2.7 1,-0.1 -1,-0.3 -0.725 84.7 -79.2-113.4 164.3 8.3 15.2 3.3 24 40 A P E +K 19 0C 69 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 -0.281 59.3 144.3 -63.2 148.3 5.8 12.9 1.5 25 41 A W E - 0 0 83 -7,-0.9 155,-0.3 1,-0.4 2,-0.2 0.446 52.1 -18.9-145.9 -65.3 7.0 9.3 1.1 26 42 A a E -K 18 0C 8 -8,-2.4 -8,-2.7 153,-0.1 -1,-0.4 -0.837 47.5-122.5-145.5 176.9 4.5 6.3 1.4 27 43 A G E +K 17 0C 1 153,-2.8 12,-0.4 -2,-0.2 2,-0.3 -0.744 26.9 177.4-116.8 176.5 1.2 5.1 2.6 28 44 A G E -K 16 0C 0 -12,-1.9 -12,-2.4 -2,-0.2 2,-0.4 -0.956 26.5-108.9-165.9-178.4 0.2 2.3 5.0 29 45 A S E -KM 15 37C 3 8,-2.4 8,-2.9 -2,-0.3 2,-0.6 -0.989 23.3-130.3-130.1 126.8 -2.6 0.6 6.7 30 46 A L E + M 0 36C 0 -16,-3.3 73,-2.3 -2,-0.4 6,-0.2 -0.656 25.7 177.4 -78.9 116.7 -3.4 0.7 10.5 31 47 A L E - 0 0 17 4,-2.6 2,-0.3 -2,-0.6 -1,-0.2 0.768 65.9 -23.3 -89.4 -31.8 -3.8 -2.9 11.6 32 48 A N E > S- M 0 35C 41 3,-1.1 3,-1.4 69,-0.1 -1,-0.3 -0.895 91.0 -64.7-167.5-177.8 -4.4 -2.2 15.3 33 49 A A T 3 S+ 0 0 30 1,-0.3 61,-2.6 -2,-0.3 59,-0.1 0.732 131.0 25.2 -61.9 -25.3 -3.5 0.6 17.8 34 50 A N T 3 S+ 0 0 61 59,-0.2 56,-2.4 190,-0.2 2,-0.4 0.217 109.1 80.3-122.5 20.5 0.3 0.1 17.5 35 51 A T E < -MN 32 89C 0 -3,-1.4 -4,-2.6 54,-0.2 -3,-1.1 -0.988 45.3-175.9-141.2 130.6 0.9 -1.5 14.1 36 52 A V E -MN 30 88C 0 52,-2.4 52,-3.0 -2,-0.4 2,-0.5 -0.963 15.5-147.4-119.5 138.9 1.0 -0.3 10.5 37 53 A L E +MN 29 87C 1 -8,-2.9 -8,-2.4 -2,-0.4 2,-0.2 -0.906 33.4 150.7 -99.2 129.1 1.4 -2.4 7.4 38 54 A T E - N 0 86C 0 48,-2.4 48,-2.4 -2,-0.5 2,-0.3 -0.799 51.1 -71.8-140.7-176.2 3.4 -0.9 4.6 39 55 A A >> - 0 0 0 -12,-0.4 3,-1.2 46,-0.3 4,-0.5 -0.641 37.1-131.4 -79.4 140.9 5.6 -1.9 1.7 40 56 A A H >> S+ 0 0 0 -2,-0.3 4,-3.2 1,-0.3 3,-1.6 0.890 105.9 61.1 -57.1 -38.6 9.0 -3.2 2.7 41 57 A H H 34 S+ 0 0 25 1,-0.3 -1,-0.3 2,-0.2 44,-0.0 0.714 94.7 64.1 -69.3 -16.6 10.7 -1.0 0.1 42 58 A a H <4 S+ 0 0 1 -3,-1.2 -1,-0.3 1,-0.1 -2,-0.2 0.758 124.6 9.8 -68.4 -27.9 9.3 2.1 1.9 43 59 A V H X< S+ 0 0 4 -3,-1.6 3,-0.9 -4,-0.5 -2,-0.2 0.608 87.2 121.4-125.4 -32.3 11.3 1.4 5.0 44 59AA S T 3< S- 0 0 48 -4,-3.2 2,-0.2 1,-0.2 3,-0.1 -0.257 93.2 -5.0 -53.6 126.8 13.9 -1.4 4.6 45 59BA G T 3 S+ 0 0 82 1,-0.2 -1,-0.2 0, 0.0 2,-0.1 0.019 103.5 115.1 82.4 -30.8 17.4 -0.1 5.3 46 59CA Y S < S- 0 0 88 -3,-0.9 2,-0.2 -2,-0.2 -1,-0.2 -0.345 82.1 -87.6 -70.0 153.0 16.5 3.6 5.9 47 59DA A > - 0 0 66 1,-0.2 3,-1.6 -3,-0.1 4,-0.2 -0.420 33.0-144.7 -63.0 126.3 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 0.807 92.9 71.0 -66.9 -26.3 13.7 4.6 11.2 49 61 A S G 3 S+ 0 0 116 1,-0.3 -1,-0.3 19,-0.1 -2,-0.1 0.720 86.1 68.6 -63.1 -19.9 13.9 8.0 12.9 50 62 A G G < S+ 0 0 13 -3,-1.6 -29,-2.3 -30,-0.1 -28,-0.6 0.672 86.1 88.0 -71.8 -14.2 13.0 9.6 9.6 51 63 A F E < +L 20 0C 6 -3,-1.8 18,-0.5 -31,-0.2 2,-0.3 -0.630 45.6 176.3 -97.9 146.7 9.5 8.3 9.5 52 64 A Q E -L 19 0C 73 -33,-1.8 -33,-2.6 -2,-0.3 2,-0.3 -0.998 16.1-148.9-139.0 139.1 6.2 9.7 10.9 53 65 A I E -LO 18 67C 0 14,-2.9 14,-2.0 -2,-0.3 2,-0.4 -0.827 7.2-164.0-104.9 145.4 2.7 8.2 10.5 54 65AA R E -LO 17 66C 38 -37,-2.2 -37,-2.2 -2,-0.3 2,-0.3 -0.999 10.1-178.1-131.0 128.6 -0.5 10.2 10.3 55 66 A A E +LO 16 65C 2 10,-2.7 10,-2.3 -2,-0.4 -39,-0.2 -0.868 56.6 31.7-119.4 155.2 -3.9 8.6 10.8 56 69 A G S S+ 0 0 24 -41,-0.7 2,-0.3 -2,-0.3 8,-0.3 0.729 92.5 97.0 76.6 23.1 -7.5 10.0 10.7 57 70 A S - 0 0 33 -42,-0.3 -1,-0.2 6,-0.2 6,-0.1 -1.000 64.9-144.6-142.7 143.3 -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 0.745 89.7 77.7 -69.4 -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 -0.683 66.3-157.2 -87.6 142.0 -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 0.570 94.5 45.9 -84.8 -11.5 -1.0 14.0 4.7 61 74 A T S S+ 0 0 65 74,-0.3 2,-0.3 1,-0.2 -1,-0.1 0.652 117.2 18.2-104.2 -22.1 0.4 17.2 6.2 62 75 A S S S+ 0 0 69 73,-0.2 -3,-0.4 -8,-0.0 -1,-0.2 -0.982 89.6 31.1-152.6 156.4 -2.1 18.1 9.0 63 76 A G S S+ 0 0 44 -2,-0.3 -6,-0.2 1,-0.2 -8,-0.1 -0.038 75.8 59.8 85.4 175.4 -4.9 16.8 11.2 64 80 A G S S- 0 0 44 -8,-0.3 2,-0.4 -10,-0.1 -8,-0.2 -0.324 94.1 -49.6 68.9-154.4 -5.5 13.4 12.7 65 81 A I E -O 55 0C 74 -10,-2.3 -10,-2.7 -3,-0.1 2,-0.3 -0.983 51.5-155.8-125.9 135.1 -3.1 11.6 15.0 66 82 A T E +O 54 0C 51 -2,-0.4 2,-0.3 -12,-0.2 -12,-0.2 -0.737 10.6 179.8-112.9 160.7 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 -0.979 19.8-138.1-151.9 146.7 3.2 8.7 15.7 68 84 A S - 0 0 63 -2,-0.3 23,-2.5 -16,-0.2 24,-0.5 -0.319 41.0 -94.5 -82.9 176.4 6.9 7.9 15.3 69 85 A L E -P 90 0C 19 -18,-0.5 21,-0.3 -21,-0.3 3,-0.1 -0.801 27.4-175.5-100.4 140.9 8.2 4.4 14.9 70 86 A S E S- 0 0 68 19,-3.0 2,-0.3 -2,-0.4 20,-0.2 0.726 74.9 -7.4 -94.8 -32.1 9.4 2.1 17.6 71 87 A S E -P 89 0C 49 18,-1.2 18,-2.4 -23,-0.1 2,-0.4 -0.988 53.9-146.3-160.1 164.3 10.5 -0.8 15.3 72 88 A V E -P 88 0C 35 -2,-0.3 2,-0.4 16,-0.2 16,-0.2 -1.000 12.0-176.0-137.1 133.0 10.4 -2.0 11.7 73 89 A R E -P 87 0C 110 14,-2.5 14,-2.9 -2,-0.4 2,-0.2 -0.970 9.3-160.1-133.9 117.7 10.2 -5.7 10.6 74 90 A V E -P 86 0C 42 -2,-0.4 12,-0.2 12,-0.2 10,-0.1 -0.603 41.0 -84.9 -91.5 154.9 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 -0.305 42.2-122.2 -54.7 138.6 9.1 -9.9 5.5 76 92 A P T 3 S+ 0 0 107 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 0.692 111.1 45.7 -64.7 -17.5 12.0 -12.4 6.0 77 93 A S T 3 S+ 0 0 74 6,-0.1 2,-0.1 2,-0.0 -2,-0.1 0.148 81.7 139.8-106.9 17.4 12.0 -13.1 2.3 78 94 A Y < + 0 0 53 -3,-2.3 2,-0.3 7,-0.1 5,-0.2 -0.407 16.2 157.1 -61.6 131.0 11.8 -9.5 1.1 79 95 A S B > -R 82 0E 87 3,-2.2 3,-2.4 -2,-0.1 2,-0.4 -0.792 60.8 -56.4-154.2 113.5 14.0 -8.7 -1.9 80 96 A G T 3 S- 0 0 43 1,-0.3 -39,-0.1 -2,-0.3 -40,-0.0 -0.373 125.9 -5.5 64.3-113.2 13.5 -5.9 -4.3 81 99 A N T > S+ 0 0 59 -2,-0.4 3,-0.5 -3,-0.1 -1,-0.3 0.656 117.8 92.2 -83.6 -23.4 10.0 -6.3 -5.7 82 100 A N B < S+R 79 0E 44 -3,-2.4 -3,-2.2 1,-0.2 3,-0.1 -0.576 94.8 0.6 -90.1 140.3 9.3 -9.7 -4.0 83 101 A N T 3 S- 0 0 14 -2,-0.3 2,-1.8 -5,-0.2 -8,-0.3 0.930 79.7-178.1 59.5 48.8 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 -0.368 32.0 110.0 -90.9 62.6 7.2 -6.4 -0.3 85 103 A L - 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