==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 09-JAN-03 1J2R . COMPND 2 MOLECULE: HYPOTHETICAL ISOCHORISMATASE FAMILY PROTEIN YECD; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR K.SUHRE,J.-M.CLAVERIE,C.ABERGEL,BACTERIAL TARGETS AT IGS-CNR . 748 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27588.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 528 70.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 120 16.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 8 1.1 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 . 0 0.0 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-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 . 69 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 92 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 181 24.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 20 2.7 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 4 0 0 8 0 0 4 4 0 0 0 0 0 3 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 4 4 8 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 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 4 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 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 12 A M 0 0 232 0, 0.0 2,-0.1 0, 0.0 182,-0.0 0.000 360.0 360.0 360.0 127.7 22.3 17.0 -7.0 2 13 A L - 0 0 20 1,-0.0 2,-0.4 2,-0.0 177,-0.0 -0.399 360.0-168.3 -63.7 135.2 25.5 17.6 -5.0 3 14 A E - 0 0 132 -2,-0.1 2,-0.4 2,-0.0 185,-0.1 -0.989 2.0-169.5-124.3 138.9 28.6 18.5 -7.0 4 15 A L - 0 0 10 183,-1.7 2,-1.0 -2,-0.4 3,-0.1 -0.959 26.6-129.6-125.0 146.0 32.1 18.7 -5.7 5 16 A N > - 0 0 125 -2,-0.4 3,-1.5 1,-0.2 118,-0.1 -0.841 24.4-162.2 -89.8 98.7 35.3 20.0 -7.3 6 17 A A G > S+ 0 0 13 -2,-1.0 3,-1.9 1,-0.3 -1,-0.2 0.834 80.9 63.4 -53.3 -40.5 37.5 16.9 -6.7 7 18 A K G 3 S+ 0 0 151 1,-0.3 -1,-0.3 -3,-0.1 -2,-0.0 0.706 110.7 37.2 -65.8 -22.5 40.7 18.8 -7.2 8 19 A T G < S+ 0 0 38 -3,-1.5 114,-2.0 113,-0.1 115,-2.0 0.127 103.3 95.4-111.5 20.5 40.2 21.1 -4.2 9 20 A T E < -a 123 0A 0 -3,-1.9 2,-0.3 112,-0.2 115,-0.2 -0.912 47.7-176.4-116.5 137.9 38.5 18.4 -2.0 10 21 A A E -a 124 0A 0 113,-2.3 115,-2.7 -2,-0.4 2,-0.5 -0.914 23.0-127.3-125.0 157.5 40.1 16.1 0.7 11 22 A L E -ab 125 51A 0 39,-2.2 41,-3.1 -2,-0.3 2,-0.5 -0.892 18.7-166.2-103.7 129.3 38.7 13.3 2.8 12 23 A V E -ab 126 52A 1 113,-2.9 115,-1.8 -2,-0.5 2,-0.6 -0.976 2.6-166.8-120.4 115.6 39.2 13.5 6.5 13 24 A V E -ab 127 53A 3 39,-2.9 41,-2.6 -2,-0.5 2,-0.7 -0.905 13.4-145.5-108.9 110.8 38.4 10.2 8.4 14 25 A I E -ab 128 54A 0 113,-3.0 115,-2.3 -2,-0.6 41,-0.1 -0.723 60.5 -34.8 -91.5 112.9 38.2 10.7 12.1 15 26 A D + 0 0 7 39,-1.7 2,-1.9 -2,-0.7 -1,-0.2 0.743 67.9 160.6 60.7 35.4 39.4 8.0 14.5 16 27 A L + 0 0 4 38,-0.5 2,-0.3 -3,-0.3 -1,-0.2 -0.591 33.8 126.4 -85.9 78.8 38.5 4.9 12.6 17 28 A Q S >> S- 0 0 0 -2,-1.9 3,-1.6 69,-0.2 4,-1.5 -0.934 75.6-108.2-134.8 151.6 40.9 2.8 14.6 18 29 A E T 34 S+ 0 0 65 67,-2.4 65,-0.2 64,-0.4 66,-0.2 0.841 115.3 59.8 -60.7 -31.5 40.2 -0.4 16.4 19 30 A G T 34 S+ 0 0 6 64,-1.8 -1,-0.3 63,-0.5 64,-0.1 0.787 110.3 41.5 -63.6 -27.5 40.5 1.3 19.9 20 31 A I T X4 S+ 0 0 20 -3,-1.6 3,-2.1 63,-0.4 4,-0.5 0.717 90.0 84.6 -95.9 -24.8 37.6 3.7 19.0 21 32 A L G >< S+ 0 0 16 -4,-1.5 3,-1.6 1,-0.3 9,-0.2 0.846 82.4 62.9 -51.2 -38.2 35.2 1.4 17.3 22 33 A P G 3 S+ 0 0 103 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.750 93.0 65.2 -59.8 -21.5 33.6 0.2 20.6 23 34 A F G < S+ 0 0 130 -3,-2.1 -2,-0.2 -4,-0.1 2,-0.2 0.695 78.5 99.6 -76.9 -18.6 32.4 3.7 21.3 24 35 A A < + 0 0 21 -3,-1.6 135,-0.2 -4,-0.5 6,-0.2 -0.470 37.7 160.4 -66.2 138.4 30.0 3.8 18.3 25 36 A G + 0 0 54 133,-2.9 136,-0.2 1,-0.4 134,-0.2 0.581 39.4 93.5-131.4 -28.0 26.4 3.1 19.3 26 37 A G B S-F 158 0B 7 132,-1.7 132,-2.2 134,-0.3 -1,-0.4 -0.896 86.7 -52.1 167.4 168.6 24.2 4.4 16.6 27 38 A P S S+ 0 0 61 0, 0.0 2,-0.4 0, 0.0 130,-0.1 -0.998 121.4 30.6 -88.5 -0.5 22.4 4.9 14.3 28 39 A H S S- 0 0 27 128,-0.3 -2,-0.2 130,-0.1 -3,-0.1 -0.897 88.3-119.5-109.9 141.7 25.1 3.4 12.0 29 40 A T > - 0 0 73 -2,-0.4 4,-2.4 1,-0.1 5,-0.2 -0.364 22.6-111.1 -78.9 162.5 27.4 0.7 13.4 30 41 A A H > S+ 0 0 15 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.930 120.3 50.1 -55.0 -45.7 31.2 1.0 13.7 31 42 A D H > S+ 0 0 108 1,-0.2 4,-2.5 2,-0.2 -1,-0.2 0.873 109.2 52.0 -64.3 -37.6 31.6 -1.6 10.9 32 43 A E H > S+ 0 0 84 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.927 110.6 47.5 -61.4 -46.0 29.2 0.3 8.7 33 44 A V H X S+ 0 0 0 -4,-2.4 4,-2.8 2,-0.2 -2,-0.2 0.911 113.0 49.2 -62.8 -40.8 31.1 3.5 9.2 34 45 A V H X S+ 0 0 5 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.937 111.9 47.3 -65.9 -46.0 34.4 1.8 8.5 35 46 A N H X S+ 0 0 79 -4,-2.5 4,-1.6 1,-0.2 -1,-0.2 0.923 114.7 46.8 -62.9 -42.4 33.1 0.1 5.3 36 47 A R H X S+ 0 0 77 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.920 110.9 51.3 -65.4 -43.6 31.6 3.4 4.1 37 48 A A H X S+ 0 0 0 -4,-2.8 4,-2.8 1,-0.2 -1,-0.2 0.874 107.3 54.8 -61.0 -35.9 34.8 5.4 4.9 38 49 A G H X S+ 0 0 9 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.867 108.2 48.1 -66.5 -35.9 36.8 2.8 2.9 39 50 A K H X S+ 0 0 128 -4,-1.6 4,-1.9 2,-0.2 -2,-0.2 0.897 112.3 48.5 -70.8 -41.2 34.6 3.3 -0.1 40 51 A L H X S+ 0 0 0 -4,-2.5 4,-2.2 2,-0.2 -2,-0.2 0.949 112.4 49.3 -57.9 -46.8 35.0 7.1 0.2 41 52 A A H X S+ 0 0 1 -4,-2.8 4,-2.9 1,-0.2 5,-0.2 0.909 107.4 54.7 -63.9 -39.2 38.7 6.7 0.5 42 53 A A H X S+ 0 0 52 -4,-2.2 4,-2.1 1,-0.2 -1,-0.2 0.902 109.4 47.9 -59.4 -42.1 38.9 4.4 -2.5 43 54 A K H X S+ 0 0 64 -4,-1.9 4,-1.3 2,-0.2 -1,-0.2 0.905 111.6 48.9 -65.5 -44.1 37.1 7.1 -4.6 44 55 A F H <>S+ 0 0 0 -4,-2.2 5,-2.6 2,-0.2 4,-0.4 0.929 111.7 49.7 -62.2 -44.7 39.5 9.8 -3.4 45 56 A R H ><5S+ 0 0 56 -4,-2.9 3,-1.3 1,-0.2 -2,-0.2 0.903 108.9 51.8 -60.5 -39.8 42.6 7.6 -4.1 46 57 A A H 3<5S+ 0 0 90 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.768 110.9 49.9 -68.8 -24.7 41.3 6.9 -7.6 47 58 A S T 3<5S- 0 0 32 -4,-1.3 -1,-0.3 -3,-0.4 -2,-0.2 0.421 114.5-117.1 -89.0 -3.5 40.9 10.7 -8.1 48 59 A G T < 5 + 0 0 63 -3,-1.3 -3,-0.2 -4,-0.4 -2,-0.1 0.775 68.9 138.4 69.6 29.6 44.4 11.5 -6.9 49 60 A Q < - 0 0 28 -5,-2.6 -1,-0.2 -6,-0.1 -39,-0.1 -0.768 58.8 -89.5-112.3 152.3 43.1 13.5 -3.9 50 61 A P - 0 0 19 0, 0.0 -39,-2.2 0, 0.0 2,-0.5 -0.310 30.2-162.2 -67.4 138.7 44.3 13.5 -0.3 51 62 A V E -b 11 0A 3 44,-0.3 46,-2.9 -41,-0.2 2,-0.6 -0.991 7.2-159.2-116.1 118.9 43.0 11.0 2.2 52 63 A F E -bc 12 97A 0 -41,-3.1 -39,-2.9 -2,-0.5 2,-0.8 -0.906 2.1-164.2-102.4 114.1 43.6 12.0 5.8 53 64 A L E -bc 13 98A 3 44,-2.4 46,-2.4 -2,-0.6 2,-0.4 -0.901 13.4-164.3-100.2 107.0 43.4 9.2 8.3 54 65 A V E +bc 14 99A 2 -41,-2.6 -39,-1.7 -2,-0.8 -38,-0.5 -0.755 9.8 179.2 -95.6 133.5 43.2 10.8 11.7 55 66 A R E - c 0 100A 42 44,-2.3 46,-2.8 -2,-0.4 2,-0.3 -0.983 13.5-147.6-133.1 154.1 43.8 8.8 14.9 56 67 A V E + c 0 101A 8 -2,-0.3 2,-0.3 44,-0.2 46,-0.2 -0.869 36.5 104.5-121.0 145.0 43.8 9.8 18.5 57 68 A G - 0 0 0 44,-1.5 2,-0.3 -2,-0.3 -2,-0.0 -0.952 42.8-120.2 165.9-174.8 45.8 8.5 21.5 58 69 A W - 0 0 52 -2,-0.3 21,-0.1 1,-0.0 2,-0.1 -0.899 32.4 -94.2-146.4 158.6 48.6 9.0 24.0 59 70 A S > - 0 0 53 -2,-0.3 3,-2.3 1,-0.1 6,-0.1 -0.285 52.4 -92.8 -70.4 168.9 51.8 7.3 25.1 60 71 A A T 3 S+ 0 0 105 1,-0.3 -1,-0.1 2,-0.1 19,-0.0 0.828 128.1 53.4 -55.6 -33.3 51.8 4.9 28.0 61 72 A D T 3 S- 0 0 108 1,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.500 102.3-133.8 -82.0 -4.5 52.6 7.7 30.4 62 73 A Y X + 0 0 39 -3,-2.3 3,-1.7 1,-0.1 -2,-0.1 0.694 56.2 145.2 60.5 23.1 49.7 9.8 29.1 63 74 A A T 3 + 0 0 15 1,-0.3 -1,-0.1 430,-0.0 -3,-0.0 0.826 68.0 51.0 -62.2 -30.2 52.0 12.9 28.9 64 75 A E T 3 S+ 0 0 5 -5,-0.1 -1,-0.3 429,-0.1 2,-0.2 0.430 92.6 104.4 -87.1 -0.6 50.2 14.2 25.9 65 76 A A S < S- 0 0 11 -3,-1.7 2,-0.3 -6,-0.1 38,-0.1 -0.493 76.5-112.1 -85.4 154.5 46.7 14.0 27.4 66 77 A L - 0 0 31 36,-0.4 -1,-0.1 -2,-0.2 -2,-0.1 -0.660 32.4-179.7 -78.0 131.3 44.5 16.7 28.8 67 78 A K + 0 0 126 -2,-0.3 -1,-0.1 265,-0.1 3,-0.1 0.243 27.5 134.8-123.5 11.8 44.2 16.2 32.5 68 79 A Q - 0 0 22 261,-0.1 2,-0.1 1,-0.1 265,-0.1 -0.295 66.1 -95.0 -60.2 147.5 41.8 19.0 33.6 69 80 A P + 0 0 61 0, 0.0 266,-0.5 0, 0.0 2,-0.3 -0.395 51.5 171.4 -61.8 137.4 39.1 18.1 36.1 70 81 A V - 0 0 25 -3,-0.1 293,-0.3 -2,-0.1 290,-0.1 -0.934 43.0-115.2-141.2 161.7 35.8 17.3 34.4 71 82 A D S S+ 0 0 68 291,-2.4 289,-0.2 288,-0.4 292,-0.1 0.826 111.5 32.7 -66.7 -33.9 32.5 15.8 35.7 72 83 A A S S- 0 0 46 287,-2.8 -1,-0.3 290,-0.3 291,-0.0 -0.677 84.6-173.2-128.0 73.0 32.7 12.6 33.6 73 84 A P - 0 0 96 0, 0.0 288,-0.1 0, 0.0 287,-0.1 -0.283 23.2-125.2 -71.4 152.8 36.4 11.7 33.2 74 85 A S - 0 0 88 286,-0.2 2,-0.1 1,-0.0 -2,-0.0 -0.835 36.8-108.0 -91.6 136.6 37.8 9.0 31.0 75 86 A P - 0 0 108 0, 0.0 2,-1.7 0, 0.0 -1,-0.0 -0.402 15.7-129.1 -68.8 137.9 40.0 6.5 32.9 76 87 A A + 0 0 80 -2,-0.1 2,-0.1 3,-0.0 3,-0.1 -0.425 54.2 156.0 -81.3 60.8 43.8 6.6 32.3 77 88 A K - 0 0 134 -2,-1.7 2,-0.1 1,-0.1 -3,-0.0 -0.442 55.5 -83.3 -82.9 158.6 43.8 2.8 31.7 78 89 A V - 0 0 106 -2,-0.1 -1,-0.1 1,-0.1 3,-0.1 -0.416 53.0-116.1 -59.1 130.6 46.4 0.9 29.7 79 90 A L - 0 0 40 -2,-0.1 -1,-0.1 -21,-0.1 -3,-0.0 -0.472 31.1-105.0 -70.2 141.4 45.4 1.2 26.0 80 91 A P > - 0 0 67 0, 0.0 3,-2.1 0, 0.0 4,-0.2 -0.331 29.3-114.7 -62.2 152.9 44.6 -2.0 24.3 81 92 A E T 3 S+ 0 0 207 1,-0.3 3,-0.3 2,-0.1 4,-0.1 0.739 116.5 53.9 -65.1 -22.9 47.3 -3.2 21.9 82 93 A N T > S+ 0 0 77 1,-0.2 3,-1.6 2,-0.1 -63,-0.5 0.368 75.6 114.8 -87.2 6.6 45.0 -2.8 18.9 83 94 A W T < S+ 0 0 23 -3,-2.1 -64,-1.8 1,-0.3 -63,-0.4 0.813 82.3 31.6 -48.6 -48.9 44.3 0.9 19.9 84 95 A W T 3 S+ 0 0 77 -3,-0.3 -1,-0.3 -4,-0.2 2,-0.1 0.466 88.2 127.4 -90.5 -5.3 45.9 2.5 16.8 85 96 A Q < - 0 0 117 -3,-1.6 -67,-2.4 -68,-0.1 -66,-0.1 -0.330 55.8-134.4 -65.6 130.7 45.2 -0.2 14.2 86 97 A H - 0 0 24 -69,-0.2 -69,-0.2 -2,-0.1 -1,-0.1 -0.681 28.6-114.4 -72.5 126.7 43.5 0.8 11.0 87 98 A P > - 0 0 8 0, 0.0 3,-1.9 0, 0.0 5,-0.4 -0.373 23.8-121.4 -57.5 139.4 40.6 -1.7 10.1 88 99 A A G > S+ 0 0 99 1,-0.3 3,-2.2 2,-0.2 4,-0.1 0.819 106.8 69.8 -53.5 -34.4 41.5 -3.5 6.9 89 100 A A G 3 S+ 0 0 48 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.607 83.9 70.2 -67.9 -12.8 38.4 -2.3 5.2 90 101 A L G < S- 0 0 4 -3,-1.9 -1,-0.3 -74,-0.1 -2,-0.2 0.710 97.3-139.3 -68.0 -22.2 39.8 1.3 5.1 91 102 A G < - 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