==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 24-JUL-09 3IF4 . COMPND 2 MOLECULE: INTEGRON CASSETTE PROTEIN HFX_CASS5; . SOURCE 2 ORGANISM_SCIENTIFIC: UNIDENTIFIED; . AUTHOR V.SURESHAN,C.N.DESHPANDE,S.J.HARROP,E.EVDOKIMOVA,M.KUDRYTSKA . 399 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21176.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 264 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 8.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 56 14.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.0 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 . 37 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 90 22.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 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 0 0 4 0 4 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 5 3 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 . 0 4 4 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 ANTIPARALLEL BRIDGES PER LADDER . 4 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 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 -1 A Q 0 0 197 0, 0.0 3,-0.1 0, 0.0 272,-0.0 0.000 360.0 360.0 360.0 93.5 28.0 9.7 47.4 2 0 A G + 0 0 33 1,-0.4 2,-0.2 128,-0.1 129,-0.1 0.082 360.0 138.3 90.8 -19.5 28.4 10.7 51.1 3 1 A X - 0 0 76 271,-0.1 2,-0.5 1,-0.1 -1,-0.4 -0.431 42.6-155.1 -59.6 122.0 29.6 13.9 49.4 4 2 A K E -a 274 0A 64 269,-3.0 271,-2.8 -2,-0.2 2,-0.3 -0.915 5.6-144.2-109.7 121.6 28.1 16.8 51.4 5 3 A Q E +a 275 0A 138 -2,-0.5 2,-0.3 269,-0.2 271,-0.2 -0.637 28.8 177.2 -80.9 141.8 27.6 20.2 49.8 6 4 A E E -a 276 0A 5 269,-2.5 271,-2.6 -2,-0.3 2,-0.2 -1.000 29.0-111.6-153.0 142.4 28.2 23.0 52.3 7 5 A F E -a 277 0A 126 -2,-0.3 17,-1.8 269,-0.2 2,-0.6 -0.494 26.7-127.2 -75.5 140.4 28.3 26.8 52.4 8 6 A V E -B 23 0B 2 269,-2.4 271,-0.5 15,-0.2 3,-0.1 -0.778 16.5-164.1 -81.9 123.1 31.5 28.7 52.9 9 7 A A E + 0 0 43 13,-2.3 274,-2.3 -2,-0.6 2,-0.3 0.814 66.6 1.6 -78.0 -31.0 30.9 31.2 55.8 10 8 A A E -Bc 22 283B 9 12,-1.4 12,-2.7 272,-0.2 2,-0.5 -0.984 44.6-158.5-158.3 147.3 34.0 33.3 55.1 11 9 A I E +Bc 21 284B 0 272,-3.0 274,-3.0 -2,-0.3 2,-0.4 -0.998 31.4 169.5-119.2 127.3 37.0 33.9 52.8 12 10 A E E -Bc 20 285B 77 8,-2.2 8,-3.7 -2,-0.5 2,-0.7 -0.993 32.6-151.7-143.5 131.6 39.8 35.9 54.5 13 11 A I E -B 19 0B 12 272,-1.7 6,-0.2 -2,-0.4 -2,-0.0 -0.921 34.6-145.9 -96.7 116.7 43.4 36.9 53.7 14 12 A D > - 0 0 28 4,-2.5 3,-1.5 -2,-0.7 -1,-0.0 -0.048 28.8 -87.5 -80.2-176.2 45.0 37.3 57.1 15 13 A G T 3 S+ 0 0 87 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.706 127.2 51.8 -66.1 -22.3 47.7 39.7 58.2 16 14 A T T 3 S- 0 0 71 2,-0.1 -1,-0.3 35,-0.0 -2,-0.0 0.460 121.3-105.5 -93.8 -2.6 50.5 37.4 57.2 17 15 A G S < S+ 0 0 13 -3,-1.5 2,-0.2 1,-0.3 -2,-0.1 0.459 73.1 138.7 97.0 1.0 49.0 36.9 53.7 18 16 A R - 0 0 68 33,-0.1 -4,-2.5 31,-0.1 2,-0.5 -0.523 51.0-127.3 -75.2 144.2 47.5 33.5 54.1 19 17 A I E -B 13 0B 0 31,-0.4 30,-1.6 -6,-0.2 2,-0.4 -0.841 24.3-158.0 -97.0 131.3 44.1 32.8 52.6 20 18 A H E -BD 12 48B 16 -8,-3.7 -8,-2.2 -2,-0.5 2,-0.5 -0.893 11.4-164.4-113.3 134.0 41.5 31.3 54.9 21 19 A V E -BD 11 47B 0 26,-3.4 26,-2.9 -2,-0.4 -10,-0.2 -0.970 9.1-161.8-117.1 115.2 38.3 29.4 54.1 22 20 A T E -B 10 0B 36 -12,-2.7 -13,-2.3 -2,-0.5 -12,-1.4 -0.864 13.8-142.6-100.8 109.1 35.9 29.1 57.0 23 21 A P E -B 8 0B 9 0, 0.0 -15,-0.2 0, 0.0 -16,-0.1 -0.287 15.9-122.4 -67.8 155.1 33.4 26.2 56.4 24 22 A G S S- 0 0 45 -17,-1.8 -16,-0.1 1,-0.1 -2,-0.0 0.836 91.8 -21.0 -65.9 -34.8 29.8 26.7 57.5 25 23 A E S S+ 0 0 93 -18,-0.2 -1,-0.1 77,-0.0 2,-0.1 0.539 106.8 95.3-149.2 -33.6 29.7 23.7 59.8 26 24 A S - 0 0 9 347,-0.0 2,-0.3 2,-0.0 347,-0.1 -0.340 52.0-149.7 -76.3 153.9 32.3 21.0 59.1 27 25 A Q - 0 0 37 -2,-0.1 3,-0.1 13,-0.0 15,-0.0 -0.938 4.0-160.8-119.5 147.8 35.7 20.7 60.8 28 26 A F > + 0 0 0 -2,-0.3 3,-2.1 1,-0.1 4,-0.3 -0.421 24.6 157.0-129.1 61.9 38.9 19.3 59.2 29 27 A P T 3 S+ 0 0 35 0, 0.0 3,-0.4 0, 0.0 11,-0.2 0.793 82.1 41.7 -54.1 -36.5 41.3 18.3 62.0 30 28 A Y T > S+ 0 0 61 104,-0.6 3,-1.8 1,-0.2 4,-0.2 0.165 76.2 114.8-102.1 14.0 43.1 15.8 59.8 31 29 A I G X S+ 0 0 1 -3,-2.1 3,-2.2 1,-0.3 5,-0.4 0.846 70.7 64.1 -53.3 -35.5 43.2 17.9 56.6 32 30 A Y G > S+ 0 0 74 -3,-0.4 3,-2.0 1,-0.3 5,-0.3 0.830 89.6 69.9 -58.0 -28.9 47.0 18.1 56.9 33 31 A R G < S+ 0 0 71 -3,-1.8 -1,-0.3 1,-0.3 -2,-0.2 0.582 80.6 72.8 -67.2 -10.0 46.9 14.3 56.3 34 32 A E G < S- 0 0 43 -3,-2.2 -1,-0.3 -4,-0.2 -2,-0.2 0.597 98.6-137.6 -79.6 -8.0 45.8 14.9 52.7 35 33 A A < + 0 0 44 -3,-2.0 -2,-0.1 -4,-0.2 -3,-0.1 0.847 67.6 122.9 57.9 37.7 49.4 16.0 52.1 36 34 A X S S- 0 0 39 -5,-0.4 -1,-0.1 2,-0.2 3,-0.1 0.187 86.2-105.7-114.0 13.7 48.2 18.9 50.0 37 35 A E S S+ 0 0 72 -5,-0.3 2,-0.4 1,-0.3 -5,-0.1 0.676 80.5 130.4 67.0 17.9 49.8 21.8 52.0 38 36 A V - 0 0 2 -7,-0.3 2,-0.3 11,-0.1 -1,-0.3 -0.816 38.4-165.2 -98.6 144.2 46.4 22.7 53.4 39 37 A S E -E 48 0B 45 9,-1.9 9,-2.1 -2,-0.4 2,-0.5 -0.895 16.0-135.6-128.5 160.4 46.0 23.2 57.2 40 38 A W E -E 47 0B 36 -2,-0.3 2,-0.7 7,-0.2 7,-0.2 -0.963 10.3-160.6-115.7 125.9 43.2 23.5 59.7 41 39 A N E >>> -E 46 0B 46 5,-2.9 5,-1.6 -2,-0.5 4,-0.7 -0.915 2.9-167.4-106.7 108.5 43.3 26.1 62.4 42 40 A E T 345S+ 0 0 91 -2,-0.7 -1,-0.1 1,-0.2 5,-0.0 0.808 82.4 59.2 -69.7 -29.7 41.0 25.1 65.2 43 41 A S T 345S+ 0 0 109 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.837 122.0 26.4 -70.0 -30.0 40.9 28.4 67.0 44 42 A T T <45S- 0 0 72 -3,-0.5 -1,-0.2 2,-0.1 -2,-0.2 0.342 102.9-133.4-108.7 2.6 39.6 30.2 63.9 45 43 A R T <5 + 0 0 91 -4,-0.7 2,-0.3 1,-0.2 -3,-0.2 0.908 60.4 129.9 43.1 56.4 38.0 27.0 62.6 46 44 A S E < - E 0 41B 2 -5,-1.6 -5,-2.9 -24,-0.2 2,-0.4 -0.980 61.0-128.8-139.8 148.5 39.4 27.6 59.1 47 45 A L E +DE 21 40B 0 -26,-2.9 -26,-3.4 -2,-0.3 2,-0.3 -0.764 42.3 178.6 -83.3 140.6 41.2 25.8 56.3 48 46 A H E -DE 20 39B 14 -9,-2.1 -9,-1.9 -2,-0.4 -28,-0.2 -0.980 26.5-125.7-147.9 160.8 44.2 27.9 55.2 49 47 A S - 0 0 3 -30,-1.6 -11,-0.1 -2,-0.3 -31,-0.1 -0.317 38.1 -96.5 -88.7 175.3 47.2 28.1 52.9 50 48 A P - 0 0 42 0, 0.0 -31,-0.4 0, 0.0 -1,-0.2 -0.261 62.2 -68.1 -75.6 179.5 50.8 28.8 53.8 51 49 A V - 0 0 67 -33,-0.1 -34,-0.1 1,-0.1 -33,-0.1 -0.496 60.8-110.4 -67.5 138.9 52.2 32.3 53.5 52 50 A P + 0 0 57 0, 0.0 2,-0.2 0, 0.0 -1,-0.1 -0.244 42.9 172.8 -62.6 160.8 52.4 33.4 49.9 53 51 A R - 0 0 138 203,-0.2 203,-0.3 0, 0.0 3,-0.1 -0.824 29.6-120.6-171.1 135.4 55.8 33.8 48.2 54 52 A E - 0 0 158 -2,-0.2 2,-0.4 1,-0.1 201,-0.1 -0.322 44.9 -94.2 -65.2 158.7 57.3 34.5 44.8 55 53 A W + 0 0 52 4,-0.0 2,-0.4 -2,-0.0 -1,-0.1 -0.624 49.6 175.0 -71.6 128.1 59.7 32.0 43.2 56 54 A S > - 0 0 26 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.961 28.3-157.7-139.0 123.7 63.3 32.9 43.9 57 55 A Y H > S+ 0 0 48 -2,-0.4 4,-2.7 2,-0.2 5,-0.2 0.898 98.5 54.4 -63.2 -40.6 66.3 30.8 43.0 58 56 A A H > S+ 0 0 13 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.960 110.8 45.5 -55.1 -53.0 68.4 32.4 45.7 59 57 A Q H > S+ 0 0 90 1,-0.2 4,-3.1 2,-0.2 -2,-0.2 0.921 111.9 51.8 -57.6 -46.8 65.8 31.5 48.3 60 58 A W H X S+ 0 0 16 -4,-2.6 4,-2.7 2,-0.2 -1,-0.2 0.885 108.4 51.1 -61.0 -36.8 65.5 28.0 46.9 61 59 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 2,-0.2 5,-0.2 0.949 112.2 46.6 -64.0 -44.6 69.3 27.5 47.1 62 60 A Q H X S+ 0 0 79 -4,-2.5 4,-2.4 1,-0.2 -2,-0.2 0.903 111.4 52.2 -62.3 -39.6 69.2 28.7 50.7 63 61 A Q H X S+ 0 0 61 -4,-3.1 4,-2.2 2,-0.2 -1,-0.2 0.913 110.6 48.2 -60.2 -44.2 66.2 26.3 51.3 64 62 A I H X S+ 0 0 0 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.926 111.7 48.1 -63.8 -46.0 68.3 23.5 49.8 65 63 A F H X S+ 0 0 25 -4,-2.9 4,-1.8 1,-0.2 10,-0.3 0.895 111.3 53.2 -60.5 -37.4 71.3 24.3 52.0 66 64 A A H X S+ 0 0 33 -4,-2.4 4,-1.4 -5,-0.2 -2,-0.2 0.881 106.3 50.6 -67.8 -39.4 69.0 24.5 55.0 67 65 A A H X S+ 0 0 0 -4,-2.2 4,-0.8 1,-0.2 -1,-0.2 0.902 111.7 48.7 -63.4 -42.3 67.5 21.0 54.4 68 66 A A H ><>S+ 0 0 0 -4,-1.9 5,-1.8 1,-0.2 3,-0.6 0.849 106.5 57.0 -64.6 -35.3 71.0 19.6 54.1 69 67 A S H ><5S+ 0 0 44 -4,-1.8 3,-1.5 1,-0.3 -1,-0.2 0.822 99.3 59.0 -69.7 -29.3 72.0 21.4 57.3 70 68 A E H 3<5S+ 0 0 79 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.774 104.8 51.5 -66.9 -26.7 69.2 19.6 59.2 71 69 A Q T <<5S- 0 0 43 -4,-0.8 -1,-0.3 -3,-0.6 -2,-0.2 0.033 131.6 -94.3-101.0 26.3 70.8 16.4 58.2 72 70 A G T < 5S+ 0 0 24 -3,-1.5 2,-0.4 1,-0.1 -3,-0.2 0.727 88.3 115.6 78.4 27.2 74.2 17.5 59.5 73 71 A V < - 0 0 10 -5,-1.8 2,-0.9 -8,-0.1 -2,-0.2 -0.954 45.6-161.3-134.1 117.1 75.8 18.9 56.4 74 72 A K E -f 206 0C 107 131,-2.3 133,-1.9 -2,-0.4 2,-0.1 -0.831 21.8-152.3 -95.2 102.9 76.8 22.5 55.9 75 73 A L E -f 207 0C 4 -2,-0.9 2,-0.3 -10,-0.3 133,-0.2 -0.447 14.5-175.0 -76.4 146.4 77.2 23.0 52.1 76 74 A V E -f 208 0C 28 131,-1.9 133,-2.8 -2,-0.1 2,-0.3 -0.995 24.2-118.4-142.1 148.9 79.6 25.6 50.7 77 75 A L - 0 0 41 -2,-0.3 133,-0.1 131,-0.2 131,-0.0 -0.638 32.9-163.6 -85.8 142.8 80.4 26.8 47.2 78 76 A G > - 0 0 14 131,-0.5 3,-1.8 -2,-0.3 -1,-0.0 -0.760 36.5-107.5-123.1 168.0 84.0 26.4 46.0 79 77 A P T 3 S+ 0 0 126 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.779 123.6 53.2 -61.3 -27.0 86.2 27.8 43.2 80 78 A N T 3 S+ 0 0 153 2,-0.1 2,-0.2 129,-0.1 -3,-0.0 0.336 79.6 133.7 -90.4 5.7 85.8 24.4 41.6 81 79 A T < - 0 0 10 -3,-1.8 2,-0.5 1,-0.1 130,-0.2 -0.391 52.3-137.8 -60.6 123.1 82.0 24.6 41.8 82 80 A R E -g 211 0D 150 128,-2.1 130,-3.1 -2,-0.2 2,-0.6 -0.736 13.2-159.2 -89.6 127.1 80.6 23.5 38.4 83 81 A W E -g 212 0D 47 -2,-0.5 2,-0.6 128,-0.2 130,-0.2 -0.922 6.0-168.8-109.4 117.6 77.7 25.6 37.0 84 82 A V E S-g 213 0D 44 128,-2.9 130,-1.9 -2,-0.6 -2,-0.0 -0.913 71.9 -17.4-111.5 114.6 75.5 24.0 34.4 85 83 A N S S+ 0 0 110 -2,-0.6 -1,-0.2 1,-0.2 128,-0.1 0.818 93.8 138.4 65.2 31.6 73.0 26.1 32.5 86 84 A V - 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