==== 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 UNKNOWN FUNCTION 10-SEP-03 1QY9 . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN YDDE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR A.GRASSICK,G.SULZENBACHER,V.ROIG-ZAMBONI,V.CAMPANACCI,C.CAMB . 1183 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48832.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 829 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 70 5.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 341 28.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 17 1.4 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 . 83 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 83 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 197 16.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 24 2.0 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 0 0 4 8 0 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 4 2 10 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 . 11 9 11 4 4 4 16 4 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 . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 3 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 3 A P 0 0 87 0, 0.0 290,-1.7 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 112.5 -9.5 -19.3 23.3 2 4 A Q E -AB 23 290A 43 21,-3.4 21,-1.5 288,-0.2 2,-0.4 -0.754 360.0-143.9-123.2 162.3 -13.3 -19.2 23.7 3 5 A V E -AB 22 289A 3 286,-2.5 286,-2.0 -2,-0.3 2,-0.4 -0.999 13.9-166.4-128.3 133.5 -16.0 -16.6 24.1 4 6 A Y E -AB 21 288A 14 17,-2.5 17,-1.9 -2,-0.4 2,-0.6 -0.944 12.5-148.5-116.6 140.3 -19.1 -17.0 26.3 5 7 A H E -AB 20 287A 10 282,-2.7 281,-2.8 -2,-0.4 282,-1.0 -0.966 29.8-180.0-108.3 115.6 -22.2 -14.8 26.2 6 8 A V E -AB 19 285A 0 13,-2.5 13,-2.7 -2,-0.6 2,-0.6 -0.938 29.9-149.8-123.9 134.4 -23.7 -14.8 29.7 7 9 A D E -AB 18 284A 0 277,-2.6 277,-2.0 -2,-0.4 3,-0.4 -0.947 29.4-155.5 -97.1 118.4 -26.7 -13.2 31.4 8 10 A A E +AB 17 283A 0 9,-2.6 9,-2.3 -2,-0.6 275,-0.2 -0.594 66.0 27.7 -94.5 154.8 -25.7 -12.6 35.0 9 11 A F S S+ 0 0 2 273,-2.5 253,-2.5 -2,-0.2 2,-0.3 0.782 112.3 68.8 64.8 33.2 -28.0 -12.2 38.0 10 12 A T - 0 0 11 272,-0.7 -1,-0.2 -3,-0.4 -3,-0.1 -0.969 62.3-150.0-164.8 159.9 -30.7 -14.4 36.4 11 13 A S S S+ 0 0 72 -2,-0.3 272,-0.1 271,-0.1 -1,-0.1 0.335 78.6 93.0-105.9 -7.6 -31.6 -17.9 35.3 12 14 A Q S > S- 0 0 111 248,-0.2 3,-1.7 272,-0.1 272,-0.1 -0.831 80.6-121.7 -95.7 119.8 -33.8 -16.6 32.5 13 15 A P T 3 S+ 0 0 41 0, 0.0 3,-0.1 0, 0.0 -2,-0.1 -0.190 96.9 22.7 -51.1 141.5 -32.2 -16.1 29.1 14 16 A F T 3 S+ 0 0 21 1,-0.3 2,-0.2 245,-0.1 4,-0.1 0.501 110.9 88.3 74.6 8.9 -32.4 -12.5 27.7 15 17 A R < + 0 0 65 -3,-1.7 -1,-0.3 244,-0.1 246,-0.2 -0.450 65.2 37.1-118.4-169.0 -32.8 -11.1 31.2 16 18 A G S S- 0 0 0 244,-1.8 2,-0.5 -7,-0.2 -7,-0.2 -0.175 105.4 -43.5 63.9-154.5 -30.3 -9.9 33.9 17 19 A N E -A 8 0A 5 -9,-2.3 -9,-2.6 204,-0.1 2,-0.1 -0.957 59.8-138.1-118.6 115.7 -27.1 -8.1 32.9 18 20 A S E +A 7 0A 16 -2,-0.5 26,-0.5 -11,-0.2 25,-0.4 -0.412 26.3 170.2 -78.1 144.7 -25.2 -9.5 30.0 19 21 A A E -A 6 0A 0 -13,-2.7 -13,-2.5 -2,-0.1 2,-0.3 -0.984 28.1-125.5-145.3 153.8 -21.4 -9.9 30.0 20 22 A G E -Ac 5 45A 0 24,-1.6 26,-3.0 -2,-0.3 2,-0.4 -0.749 18.5-161.4 -95.2 147.8 -18.8 -11.5 27.8 21 23 A V E -Ac 4 46A 0 -17,-1.9 -17,-2.5 -2,-0.3 2,-0.4 -0.989 8.9-175.3-131.0 126.5 -16.3 -13.9 29.2 22 24 A V E -Ac 3 47A 1 24,-2.8 26,-2.5 -2,-0.4 3,-0.2 -0.958 12.6-145.4-123.1 135.6 -13.1 -14.7 27.3 23 25 A F E +A 2 0A 36 -21,-1.5 -21,-3.4 -2,-0.4 2,-0.1 -0.976 65.7 20.2-159.2 163.1 -10.4 -17.2 28.1 24 26 A P + 0 0 69 0, 0.0 -1,-0.3 0, 0.0 3,-0.2 0.763 64.5 166.2 -68.3 146.9 -7.6 -18.1 28.2 25 27 A A > + 0 0 0 23,-1.9 3,-1.7 -3,-0.2 24,-0.1 0.217 41.3 110.0-106.7 11.6 -6.6 -14.4 27.8 26 28 A D T 3 S+ 0 0 79 22,-0.3 -1,-0.1 1,-0.3 23,-0.1 0.783 79.2 44.2 -63.8 -30.5 -3.0 -15.0 28.7 27 29 A N T 3 S+ 0 0 154 -3,-0.2 2,-0.4 2,-0.1 -1,-0.3 0.194 93.4 100.8-102.7 17.8 -1.6 -14.4 25.2 28 30 A L < - 0 0 23 -3,-1.7 2,-0.1 4,-0.0 -3,-0.0 -0.808 64.8-136.8 -97.2 142.2 -3.7 -11.3 24.4 29 31 A S > - 0 0 57 -2,-0.4 4,-2.3 1,-0.1 5,-0.2 -0.435 31.2-102.5 -83.5 168.2 -2.3 -7.7 24.7 30 32 A E H > S+ 0 0 105 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.896 123.7 54.0 -55.9 -41.5 -4.3 -4.8 26.3 31 33 A A H > S+ 0 0 67 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.898 108.5 47.4 -63.5 -41.7 -5.1 -3.6 22.8 32 34 A Q H > S+ 0 0 57 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.917 110.6 51.3 -66.5 -46.0 -6.5 -6.9 21.7 33 35 A X H X S+ 0 0 3 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.911 110.8 50.0 -58.5 -39.6 -8.6 -7.3 24.8 34 36 A Q H X S+ 0 0 40 -4,-2.2 4,-2.2 1,-0.2 -1,-0.2 0.880 110.7 48.3 -66.4 -39.2 -10.0 -3.7 24.3 35 37 A L H X S+ 0 0 38 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.851 112.2 49.7 -66.2 -38.7 -10.9 -4.5 20.6 36 38 A I H X S+ 0 0 0 -4,-2.3 4,-2.6 2,-0.2 5,-0.2 0.934 110.8 49.1 -66.0 -47.5 -12.6 -7.7 21.6 37 39 A A H X S+ 0 0 0 -4,-2.5 4,-1.7 1,-0.2 5,-0.3 0.884 112.3 48.8 -57.4 -43.6 -14.6 -5.9 24.3 38 40 A R H < S+ 0 0 65 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.924 112.2 49.7 -59.1 -45.2 -15.6 -3.2 21.7 39 41 A E H < S+ 0 0 6 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.879 110.6 47.2 -65.4 -41.1 -16.6 -6.0 19.3 40 42 A L H < S- 0 0 13 -4,-2.6 -1,-0.2 -5,-0.1 -2,-0.2 0.835 92.3-154.6 -73.6 -30.7 -18.7 -7.9 21.7 41 43 A G < + 0 0 51 -4,-1.7 -3,-0.1 -5,-0.2 -4,-0.1 0.482 38.6 143.4 73.3 5.2 -20.4 -4.7 22.8 42 44 A H - 0 0 12 -5,-0.3 -1,-0.2 1,-0.1 3,-0.1 -0.374 68.6-109.7 -67.2 158.0 -21.5 -5.8 26.3 43 45 A S S S+ 0 0 29 -25,-0.4 2,-0.3 1,-0.2 -24,-0.1 0.872 105.0 7.5 -55.0 -37.6 -21.3 -3.2 29.1 44 46 A E - 0 0 25 -26,-0.5 -24,-1.6 18,-0.2 2,-0.4 -0.992 60.9-163.2-144.8 145.1 -18.4 -5.4 30.3 45 47 A T E -cD 20 61A 0 16,-2.3 16,-2.1 -2,-0.3 2,-0.4 -0.994 18.7-146.9-118.2 131.1 -16.3 -8.3 29.0 46 48 A A E -cD 21 60A 0 -26,-3.0 -24,-2.8 -2,-0.4 2,-0.5 -0.826 4.7-156.1 -99.0 138.0 -14.2 -10.3 31.5 47 49 A F E -cD 22 59A 0 12,-2.7 12,-2.1 -2,-0.4 2,-0.5 -0.967 12.1-143.3-116.6 121.7 -10.9 -11.8 30.5 48 50 A L E + D 0 58A 16 -26,-2.5 -23,-1.9 -2,-0.5 2,-0.3 -0.780 26.6 174.5 -95.7 127.0 -9.7 -14.8 32.6 49 51 A L E - D 0 57A 17 8,-3.2 8,-2.6 -2,-0.5 2,-0.1 -0.873 37.0 -93.9-131.1 154.3 -6.0 -15.0 33.2 50 52 A H - 0 0 116 -2,-0.3 2,-0.4 6,-0.2 6,-0.1 -0.414 41.9-150.1 -60.6 140.7 -3.5 -17.0 35.2 51 53 A S - 0 0 14 4,-0.3 3,-0.1 3,-0.3 -1,-0.0 -0.965 20.6-165.9-119.1 141.3 -2.6 -15.5 38.6 52 54 A D S S+ 0 0 72 -2,-0.4 -1,-0.1 1,-0.1 3,-0.1 0.425 94.4 37.7 -99.2 -2.9 0.7 -15.7 40.6 53 55 A D S S+ 0 0 109 40,-0.0 2,-0.3 1,-0.0 -1,-0.1 0.190 125.3 9.8-131.3 16.9 -0.8 -14.4 43.8 54 56 A S S S- 0 0 29 -3,-0.1 -3,-0.3 41,-0.1 40,-0.2 -0.926 91.2 -76.8-171.1-172.6 -4.3 -15.9 43.9 55 57 A D S S- 0 0 84 38,-1.7 2,-0.3 1,-0.3 -4,-0.3 0.805 105.2 -5.2 -76.4 -29.9 -6.6 -18.5 42.1 56 58 A V E - e 0 94A 6 37,-0.9 39,-2.3 -6,-0.1 2,-0.4 -0.967 57.6-139.0-164.7 146.5 -7.4 -16.4 39.1 57 59 A R E -De 49 95A 94 -8,-2.6 -8,-3.2 -2,-0.3 2,-0.4 -0.891 19.3-166.2-107.9 140.0 -6.9 -12.9 37.6 58 60 A I E -D 48 0A 1 37,-2.3 2,-0.4 -2,-0.4 39,-0.3 -0.995 7.5-161.8-127.8 132.5 -9.6 -11.1 35.8 59 61 A R E -D 47 0A 43 -12,-2.1 -12,-2.7 -2,-0.4 2,-0.4 -0.941 13.3-153.1-109.7 137.9 -9.4 -8.0 33.6 60 62 A Y E -DF 46 67A 0 7,-0.7 7,-2.5 -2,-0.4 2,-0.4 -0.934 13.6-178.9-116.7 128.5 -12.6 -6.1 32.9 61 63 A F E -DF 45 66A 0 -16,-2.1 -16,-2.3 -2,-0.4 5,-0.2 -0.995 15.7-157.5-129.8 130.7 -13.2 -4.0 29.8 62 64 A T - 0 0 24 3,-2.9 -18,-0.2 -2,-0.4 -24,-0.2 -0.389 53.0 -88.0 -78.7 175.4 -16.1 -1.8 28.7 63 65 A P S S+ 0 0 41 0, 0.0 -25,-0.2 0, 0.0 3,-0.1 0.734 126.9 24.6 -56.3 -22.7 -16.4 -1.2 24.9 64 66 A T S S+ 0 0 122 1,-0.2 2,-0.3 -27,-0.1 -30,-0.1 0.661 123.8 19.9-115.2 -24.0 -14.1 1.9 25.4 65 67 A V - 0 0 77 -31,-0.0 -3,-2.9 -28,-0.0 -1,-0.2 -0.987 68.4-105.5-152.0 151.0 -12.0 1.5 28.6 66 68 A E E -F 61 0A 34 -2,-0.3 -5,-0.2 -5,-0.2 -7,-0.0 -0.587 37.0-164.7 -72.1 141.2 -10.5 -0.9 31.2 67 69 A V E -F 60 0A 29 -7,-2.5 -7,-0.7 -2,-0.2 30,-0.2 -0.911 26.1-120.2-125.3 156.4 -12.2 -0.8 34.6 68 70 A P S S- 0 0 71 0, 0.0 30,-0.9 0, 0.0 29,-0.5 0.908 80.0 -34.0 -63.1 -44.4 -11.0 -2.2 38.0 69 71 A I - 0 0 36 28,-0.1 2,-0.3 27,-0.1 -10,-0.0 -0.957 50.7-160.9-171.3 153.4 -13.9 -4.6 38.7 70 72 A C > - 0 0 23 -2,-0.3 4,-1.6 1,-0.1 5,-0.1 -0.954 19.9-134.6-150.6 144.9 -17.6 -5.1 38.2 71 73 A G H > S+ 0 0 4 -2,-0.3 4,-2.4 1,-0.2 5,-0.2 0.910 101.1 43.9 -62.5 -54.5 -20.2 -7.3 39.9 72 74 A H H > S+ 0 0 1 150,-0.3 4,-2.4 1,-0.2 -1,-0.2 0.884 114.9 50.2 -67.1 -36.3 -22.1 -8.8 37.0 73 75 A A H > S+ 0 0 0 2,-0.2 4,-2.3 1,-0.2 -1,-0.2 0.827 110.0 51.6 -67.2 -33.4 -19.0 -9.5 35.0 74 76 A T H X S+ 0 0 0 -4,-1.6 4,-2.4 2,-0.2 5,-0.2 0.908 110.1 48.1 -68.8 -44.0 -17.4 -11.2 38.0 75 77 A V H X S+ 0 0 0 -4,-2.4 4,-2.0 2,-0.2 -2,-0.2 0.942 113.0 48.7 -60.5 -48.9 -20.4 -13.4 38.5 76 78 A A H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 5,-0.2 0.936 112.1 49.3 -55.0 -47.7 -20.4 -14.3 34.7 77 79 A A H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 -2,-0.2 0.914 114.2 42.1 -63.5 -47.2 -16.7 -15.1 34.8 78 80 A H H X S+ 0 0 2 -4,-2.4 4,-2.2 2,-0.2 -1,-0.2 0.780 113.1 54.9 -73.4 -25.2 -16.8 -17.4 37.8 79 81 A Y H X S+ 0 0 9 -4,-2.0 4,-2.4 -5,-0.2 -2,-0.2 0.952 111.5 43.4 -68.9 -50.8 -19.9 -19.1 36.6 80 82 A V H X S+ 0 0 0 -4,-2.5 4,-2.8 2,-0.2 5,-0.2 0.927 115.0 50.4 -57.2 -46.8 -18.3 -19.9 33.3 81 83 A R H X S+ 0 0 52 -4,-2.6 4,-1.9 1,-0.2 -1,-0.2 0.884 110.2 49.6 -64.8 -37.7 -15.2 -21.0 35.1 82 84 A A H X>S+ 0 0 0 -4,-2.2 5,-1.6 2,-0.2 4,-0.8 0.892 113.1 46.7 -66.8 -41.9 -17.1 -23.2 37.4 83 85 A K H ><5S+ 0 0 88 -4,-2.4 3,-0.5 1,-0.2 -2,-0.2 0.948 114.7 46.1 -64.3 -47.9 -19.0 -24.9 34.5 84 86 A V H 3<5S+ 0 0 64 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.827 121.1 36.5 -66.0 -36.1 -15.9 -25.4 32.4 85 87 A L H 3<5S- 0 0 99 -4,-1.9 -1,-0.2 -5,-0.2 -2,-0.2 0.439 103.6-124.5 -98.3 -3.0 -13.7 -26.9 35.3 86 88 A G T <<5 - 0 0 55 -4,-0.8 -3,-0.2 -3,-0.5 -4,-0.1 0.918 43.4-179.0 57.3 49.4 -16.5 -28.8 37.1 87 89 A L < - 0 0 38 -5,-1.6 -1,-0.1 -6,-0.2 2,-0.1 -0.322 13.0-160.2 -77.1 160.2 -15.9 -27.1 40.4 88 90 A G - 0 0 31 1,-0.1 2,-1.1 17,-0.0 -1,-0.1 -0.039 59.6 -27.1-108.1-142.5 -17.9 -27.9 43.6 89 91 A N S S+ 0 0 126 17,-0.1 2,-0.3 18,-0.1 17,-0.2 -0.698 83.6 160.0 -78.2 100.1 -18.4 -25.8 46.7 90 92 A C E - G 0 105A 47 15,-1.1 15,-2.9 -2,-1.1 2,-0.5 -0.932 37.0-151.1-126.8 144.9 -15.2 -23.8 46.7 91 93 A T E + G 0 104A 74 -2,-0.3 2,-0.3 13,-0.2 13,-0.2 -0.984 32.4 169.4-112.1 121.0 -13.9 -20.5 48.3 92 94 A I E - G 0 103A 15 11,-2.8 11,-3.3 -2,-0.5 2,-0.4 -0.852 31.4-126.8-130.0 166.1 -11.3 -18.7 46.1 93 95 A W E - G 0 102A 104 -2,-0.3 -38,-1.7 9,-0.2 -37,-0.9 -0.908 22.4-164.7-109.8 135.1 -9.4 -15.5 45.8 94 96 A Q E -eG 56 101A 0 7,-2.3 7,-2.1 -2,-0.4 2,-0.4 -0.888 8.4-143.0-113.7 156.3 -9.3 -13.5 42.6 95 97 A T E +eG 57 100A 20 -39,-2.3 -37,-2.3 -2,-0.3 2,-0.3 -0.921 30.4 144.8-116.3 142.1 -7.0 -10.7 41.6 96 98 A S E > - 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