==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER RIBONUCLEASE 28-JUN-00 1E44 . COMPND 2 MOLECULE: COLICIN E3; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR S.CARR,D.WALKER,R.JAMES,C.KLEANTHOUS,A.M.HEMMINGS . 180 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9385.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 112 62.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 52 28.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 3.3 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 . 1 0.6 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 . 13 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 11.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 18 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.7 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 0 2 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 RESIDUES PER ALPHA HELIX . 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 0 PARALLEL BRIDGES PER LADDER . 4 0 1 3 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 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 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 G 0 0 4 0, 0.0 79,-1.8 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0-159.7 19.5 27.7 12.9 2 2 A L E -A 79 0A 0 24,-2.2 23,-3.2 77,-0.2 2,-0.4 -0.658 360.0-177.9 -77.7 126.1 21.7 25.5 10.6 3 3 A K E -A 78 0A 19 75,-2.6 75,-1.9 -2,-0.4 2,-0.5 -0.994 27.1-129.6-117.8 134.9 22.9 27.0 7.3 4 4 A L E -A 77 0A 0 -2,-0.4 18,-2.0 19,-0.4 2,-0.7 -0.727 23.5-150.7 -69.2 121.0 25.0 25.1 4.7 5 5 A D E -AB 76 21A 7 71,-2.6 71,-1.3 -2,-0.5 2,-0.4 -0.870 14.1-164.2-102.1 106.9 27.8 27.5 3.9 6 6 A L E +AB 75 20A 0 14,-3.1 14,-2.3 -2,-0.7 2,-0.3 -0.780 11.2 175.3-100.6 136.6 28.9 26.8 0.3 7 7 A T E -AB 74 19A 12 67,-2.8 67,-2.1 -2,-0.4 2,-0.3 -0.968 6.2-169.0-142.8 141.4 32.2 28.1 -1.1 8 8 A W E -AB 73 18A 19 10,-2.5 9,-2.6 -2,-0.3 10,-1.0 -0.984 2.5-169.6-145.9 156.5 34.0 27.6 -4.4 9 9 A F E -AB 72 16A 1 63,-1.6 63,-1.9 -2,-0.3 2,-0.4 -0.953 35.3 -92.4-148.1 148.8 37.4 28.2 -6.0 10 10 A D E > -A 71 0A 40 5,-3.0 4,-2.9 -2,-0.3 3,-0.2 -0.545 26.3-147.1 -71.1 122.7 39.1 28.1 -9.4 11 11 A K T 4 S+ 0 0 103 59,-1.3 -1,-0.2 -2,-0.4 60,-0.1 0.827 96.7 48.1 -57.8 -31.0 40.8 24.7 -10.0 12 12 A S T 4 S+ 0 0 111 58,-0.3 -1,-0.2 1,-0.1 59,-0.1 0.839 131.8 10.9 -79.3 -36.1 43.6 26.5 -12.0 13 13 A T T 4 S- 0 0 78 -3,-0.2 -2,-0.2 2,-0.1 -1,-0.1 0.498 88.7-126.9-120.4 -12.5 44.5 29.3 -9.7 14 14 A E < + 0 0 89 -4,-2.9 99,-0.4 1,-0.2 -3,-0.1 0.493 54.9 156.6 64.2 6.4 42.7 28.5 -6.5 15 15 A D - 0 0 107 -6,-0.1 -5,-3.0 -5,-0.1 -1,-0.2 -0.334 49.8-105.9 -60.3 143.2 41.2 32.0 -6.6 16 16 A F E +B 9 0A 47 95,-0.3 -7,-0.2 -7,-0.2 -1,-0.1 -0.449 42.6 169.9 -60.9 130.7 37.9 32.4 -4.7 17 17 A K E - 0 0 87 -9,-2.6 2,-0.3 1,-0.4 -8,-0.2 0.469 52.5 -11.6-124.7 -1.3 35.0 32.7 -7.0 18 18 A G E -B 8 0A 11 -10,-1.0 -10,-2.5 93,-0.1 -1,-0.4 -0.860 38.4-157.8 169.4 153.1 31.8 32.5 -4.8 19 19 A E E +B 7 0A 57 -2,-0.3 2,-0.3 -12,-0.2 -12,-0.2 -0.982 16.2 176.1-144.3 135.2 30.0 31.8 -1.6 20 20 A E E -B 6 0A 37 -14,-2.3 -14,-3.1 -2,-0.3 2,-0.4 -0.981 16.2-148.2-142.7 137.7 26.3 31.0 -1.1 21 21 A Y E -B 5 0A 49 -2,-0.3 -16,-0.2 -16,-0.2 3,-0.1 -0.823 17.7-131.5 -99.3 142.6 24.3 30.1 2.1 22 22 A S - 0 0 3 -18,-2.0 40,-0.1 -2,-0.4 3,-0.1 -0.341 41.4 -84.4 -72.1 169.6 21.4 27.8 2.0 23 23 A K - 0 0 186 38,-0.4 -19,-0.4 1,-0.1 2,-0.2 -0.353 61.8 -79.2 -62.5 158.8 18.2 28.8 3.7 24 24 A D - 0 0 56 -21,-0.1 -21,-0.2 1,-0.1 -1,-0.1 -0.454 33.5-164.4 -63.0 123.7 18.0 28.2 7.4 25 25 A F > - 0 0 41 -23,-3.2 3,-2.1 1,-0.3 2,-0.2 0.188 24.8-147.1 -87.0 10.5 17.2 24.6 8.4 26 26 A G T 3 - 0 0 31 1,-0.2 -24,-2.2 -24,-0.2 -1,-0.3 -0.412 67.8 -28.8 57.4-119.2 16.3 25.5 12.0 27 27 A D T 3 S+ 0 0 85 -2,-0.2 2,-0.8 -26,-0.2 -1,-0.2 -0.028 104.2 116.7-121.0 22.2 17.3 22.5 14.1 28 28 A D < + 0 0 86 -3,-2.1 3,-0.4 1,-0.1 4,-0.1 -0.868 33.5 175.0 -98.0 107.9 16.8 19.8 11.6 29 29 A G >> + 0 0 5 -2,-0.8 3,-2.2 1,-0.2 4,-1.4 0.520 46.7 108.4 -85.6 -5.2 20.2 18.2 10.9 30 30 A S H 3> S+ 0 0 47 1,-0.3 4,-2.8 2,-0.2 5,-0.2 0.772 70.0 66.3 -51.4 -29.8 19.0 15.4 8.6 31 31 A V H 3> S+ 0 0 5 -3,-0.4 4,-1.4 2,-0.2 -1,-0.3 0.946 103.9 47.2 -54.4 -42.1 20.6 17.2 5.6 32 32 A M H <>>S+ 0 0 0 -3,-2.2 5,-2.3 1,-0.2 4,-1.2 0.924 108.0 56.1 -60.8 -44.0 23.9 16.4 7.4 33 33 A E H ><5S+ 0 0 133 -4,-1.4 3,-0.6 1,-0.2 -2,-0.2 0.915 106.1 50.4 -51.7 -43.7 22.6 12.9 7.9 34 34 A S H 3<5S+ 0 0 63 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.738 107.3 53.1 -74.4 -21.7 22.1 12.5 4.1 35 35 A L H 3<5S- 0 0 9 -4,-1.4 -1,-0.3 -3,-0.4 -2,-0.2 0.700 115.6-118.2 -76.8 -19.4 25.6 13.7 3.4 36 36 A G T <<5 + 0 0 61 -4,-1.2 -3,-0.2 -3,-0.6 -2,-0.1 0.815 68.1 140.6 83.9 32.2 26.9 11.0 5.8 37 37 A V < - 0 0 7 -5,-2.3 -1,-0.3 -6,-0.1 -2,-0.2 -0.941 48.1-137.5-114.2 109.7 28.4 13.6 8.1 38 38 A P - 0 0 87 0, 0.0 -5,-0.0 0, 0.0 0, 0.0 -0.269 14.2-128.1 -58.0 152.6 27.9 12.8 11.8 39 39 A F S >> S+ 0 0 40 2,-0.1 3,-2.0 3,-0.1 4,-0.6 0.860 77.3 106.1 -67.0 -41.7 26.9 15.7 13.9 40 40 A K T 34 S- 0 0 134 1,-0.3 81,-0.0 2,-0.2 50,-0.0 -0.213 100.8 -14.4 -49.9 118.9 29.7 15.2 16.4 41 41 A D T 34 S+ 0 0 26 1,-0.1 82,-0.4 80,-0.1 -1,-0.3 0.700 118.3 92.0 69.0 19.1 32.5 17.7 16.1 42 42 A N T X4 + 0 0 10 -3,-2.0 3,-0.6 79,-0.1 2,-0.5 0.425 55.3 90.8-125.7 -3.9 31.3 18.8 12.7 43 43 A V T 3< S- 0 0 1 -4,-0.6 51,-0.3 1,-0.3 35,-0.2 -0.887 109.2 -3.8-105.3 128.7 29.0 21.7 13.4 44 44 A N T 3 S+ 0 0 4 33,-2.4 -1,-0.3 -2,-0.5 34,-0.1 0.917 114.3 104.5 52.9 49.6 30.7 25.1 13.4 45 45 A N S < S- 0 0 7 -3,-0.6 78,-0.5 1,-0.5 73,-0.1 -0.113 80.4 -55.2-154.0 49.1 34.0 23.2 12.9 46 46 A G - 0 0 9 77,-0.1 31,-0.6 76,-0.1 -1,-0.5 -0.338 56.0 -72.3 110.4 175.2 35.3 23.3 9.4 47 47 A C E -CD 76 124A 9 77,-2.2 77,-2.5 29,-0.2 2,-0.4 -0.831 32.1-146.2-120.1 148.3 34.6 22.8 5.8 48 48 A F E -C 75 0A 23 27,-3.0 27,-1.9 -2,-0.3 2,-0.3 -0.898 26.9-106.1-117.4 141.0 34.2 19.5 3.8 49 49 A D E -C 74 0A 74 -2,-0.4 2,-0.9 25,-0.2 25,-0.2 -0.499 34.1-127.7 -62.5 124.6 35.2 18.8 0.2 50 50 A V - 0 0 13 23,-2.3 23,-0.4 -2,-0.3 2,-0.1 -0.693 32.5-159.6 -77.6 107.6 32.0 18.6 -1.8 51 51 A I >> - 0 0 82 -2,-0.9 3,-1.1 1,-0.1 4,-1.0 -0.450 32.6 -99.4 -87.4 164.3 32.4 15.2 -3.6 52 52 A A T >4 S+ 0 0 55 1,-0.3 3,-1.4 2,-0.2 -1,-0.1 0.925 123.0 54.5 -45.0 -52.4 30.6 14.2 -6.7 53 53 A E T 3> S+ 0 0 135 1,-0.3 4,-0.9 2,-0.1 -1,-0.3 0.833 104.3 56.5 -48.6 -35.8 28.0 12.2 -4.6 54 54 A W H <> S+ 0 0 27 -3,-1.1 4,-1.3 1,-0.2 -1,-0.3 0.812 86.9 78.1 -76.6 -22.5 27.2 15.2 -2.6 55 55 A V H XX S+ 0 0 27 -3,-1.4 4,-3.3 -4,-1.0 3,-1.0 0.913 96.7 42.5 -51.1 -55.3 26.3 17.4 -5.6 56 56 A P H 34 S+ 0 0 91 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.923 115.3 51.8 -59.1 -46.6 22.7 16.0 -6.1 57 57 A L H 3< S+ 0 0 69 -4,-0.9 -2,-0.2 1,-0.2 -3,-0.1 0.738 121.2 33.3 -57.7 -24.3 22.1 16.0 -2.4 58 58 A L H X< S+ 0 0 0 -4,-1.3 3,-2.2 -3,-1.0 4,-0.2 0.773 98.6 76.6-105.2 -30.9 23.2 19.6 -2.2 59 59 A Q G >< S+ 0 0 37 -4,-3.3 3,-2.4 1,-0.3 -2,-0.1 0.832 83.3 67.1 -58.3 -37.2 22.0 21.2 -5.4 60 60 A P G 3 S+ 0 0 99 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.612 102.6 50.2 -55.9 -14.0 18.3 21.4 -4.4 61 61 A Y G < S+ 0 0 106 -3,-2.2 2,-0.4 -39,-0.0 -38,-0.4 0.416 103.5 70.9-108.6 2.0 19.3 24.0 -1.7 62 62 A F < - 0 0 13 -3,-2.4 4,-0.1 -4,-0.2 -40,-0.1 -0.956 55.8-155.9-128.7 142.7 21.4 26.3 -3.9 63 63 A N S S+ 0 0 145 -2,-0.4 -1,-0.1 2,-0.1 -41,-0.0 0.876 79.4 90.9 -66.5 -41.4 21.0 28.9 -6.7 64 64 A H S S- 0 0 44 1,-0.1 2,-1.1 3,-0.0 -2,-0.1 -0.286 83.0-130.3 -63.1 137.8 24.6 28.3 -7.8 65 65 A Q - 0 0 134 2,-0.1 2,-0.3 1,-0.0 -1,-0.1 -0.798 28.8-134.5 -95.9 105.1 24.7 25.6 -10.4 66 66 A I - 0 0 17 -2,-1.1 2,-0.5 -4,-0.1 -7,-0.1 -0.481 27.3-178.7 -72.2 123.5 27.4 23.5 -8.8 67 67 A D >> - 0 0 72 -2,-0.3 4,-2.3 1,-0.1 3,-1.8 -0.783 10.3-178.8-126.8 90.7 30.0 22.5 -11.4 68 68 A I T 34 S+ 0 0 64 -2,-0.5 -1,-0.1 1,-0.3 5,-0.1 0.569 81.6 61.4 -68.8 -7.0 32.8 20.3 -9.9 69 69 A S T 34 S+ 0 0 86 1,-0.1 -1,-0.3 3,-0.0 3,-0.1 0.652 114.3 36.4 -88.9 -16.6 34.6 20.0 -13.2 70 70 A D T <4 S+ 0 0 83 -3,-1.8 -59,-1.3 1,-0.2 2,-0.3 0.835 125.4 19.5 -91.5 -41.0 35.1 23.7 -13.2 71 71 A N E < -A 10 0A 6 -4,-2.3 2,-0.5 -61,-0.2 -1,-0.2 -0.897 67.7-115.7-135.7 152.3 35.6 24.5 -9.4 72 72 A E E -A 9 0A 66 -63,-1.9 -63,-1.6 -2,-0.3 2,-0.3 -0.818 37.9-157.1 -84.5 128.8 36.5 23.0 -6.0 73 73 A Y E -A 8 0A 6 -2,-0.5 -23,-2.3 -23,-0.4 2,-0.3 -0.831 14.1-177.6-111.5 146.9 33.6 23.2 -3.6 74 74 A F E -AC 7 49A 2 -67,-2.1 -67,-2.8 -2,-0.3 2,-0.4 -0.976 5.1-165.7-139.1 143.3 33.6 23.2 0.2 75 75 A V E -AC 6 48A 0 -27,-1.9 -27,-3.0 -2,-0.3 2,-0.3 -0.987 1.2-168.2-127.1 142.4 30.6 23.2 2.6 76 76 A S E -AC 5 47A 1 -71,-1.3 -71,-2.6 -2,-0.4 2,-0.9 -0.874 24.5-126.2-122.8 164.1 30.5 23.9 6.3 77 77 A F E -A 4 0A 0 -31,-0.6 -33,-2.4 -35,-0.5 2,-0.3 -0.832 31.9-171.2-114.5 85.2 27.7 23.4 8.7 78 78 A D E -A 3 0A 4 -75,-1.9 -75,-2.6 -2,-0.9 2,-0.5 -0.650 2.8-169.7 -79.9 131.9 27.2 26.7 10.4 79 79 A Y E +A 2 0A 3 -2,-0.3 2,-0.3 -77,-0.2 -77,-0.2 -0.970 13.5 160.5-126.4 122.4 24.8 26.9 13.4 80 80 A R - 0 0 85 -79,-1.8 2,-0.2 -2,-0.5 4,-0.1 -0.983 44.0 -99.9-135.1 147.6 23.6 30.1 15.0 81 81 A D S S- 0 0 87 -2,-0.3 2,-0.1 10,-0.1 -2,-0.0 -0.447 81.3 -20.6 -67.7 130.9 20.6 30.7 17.2 82 82 A G S S- 0 0 51 -2,-0.2 2,-0.4 2,-0.0 -2,-0.2 -0.427 113.2 -12.1 85.6-147.8 17.6 32.2 15.5 83 83 A D 0 0 165 -2,-0.1 -2,-0.1 -59,-0.0 0, 0.0 -0.816 360.0 360.0 -96.6 132.7 17.5 34.1 12.2 84 84 A W 0 0 62 -2,-0.4 -60,-0.1 -4,-0.1 -4,-0.1 -0.988 360.0 360.0-159.6 360.0 20.9 35.2 10.9 85 !* 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 86 1 B G >> 0 0 71 0, 0.0 4,-1.4 0, 0.0 3,-1.0 0.000 360.0 360.0 360.0 175.3 20.3 16.5 20.1 87 2 B F H 3> + 0 0 17 1,-0.3 4,-2.1 2,-0.2 5,-0.2 0.787 360.0 51.8 -64.1 -38.1 21.1 18.9 17.3 88 3 B K H 3> S+ 0 0 88 1,-0.2 4,-0.6 2,-0.2 -1,-0.3 0.905 108.7 56.9 -60.9 -36.1 20.9 22.4 18.8 89 4 B D H X4 S+ 0 0 106 -3,-1.0 3,-1.6 1,-0.2 4,-0.5 0.953 104.3 49.9 -59.6 -46.7 23.3 21.0 21.4 90 5 B Y H >< S+ 0 0 81 -4,-1.4 3,-1.5 1,-0.3 4,-0.4 0.899 104.5 60.5 -57.8 -37.5 25.8 20.1 18.7 91 6 B G H 3< S+ 0 0 2 -4,-2.1 -1,-0.3 1,-0.3 -2,-0.2 0.598 103.9 49.5 -67.8 -12.3 25.5 23.6 17.3 92 7 B H T << S+ 0 0 98 -3,-1.6 -1,-0.3 -4,-0.6 -2,-0.2 0.404 82.9 92.6-107.3 2.5 26.7 25.1 20.5 93 8 B D S < S+ 0 0 87 -3,-1.5 2,-0.3 -4,-0.5 -2,-0.1 0.824 97.6 20.4 -53.7 -38.2 29.8 22.8 20.8 94 9 B Y S S- 0 0 39 -4,-0.4 48,-0.2 -51,-0.3 -49,-0.1 -0.835 91.7 -92.9-132.5 168.5 31.9 25.4 19.0 95 10 B H - 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