==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 30-APR-06 2GUJ . COMPND 2 MOLECULE: PHAGE-LIKE ELEMENT PBSX PROTEIN XKDM; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS SUBTILIS; . AUTHOR A.P.KUZIN,W.ZHOU,J.SEETHARAMAN,K.CUNNINGHAM,H.JANJUA, . 270 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16198.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 66.3 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 . 82 30.4 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 . 2 0.7 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 . 31 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 32 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 2 2 0 0 0 0 0 0 2 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 . 0 1 3 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 5 A A 0 0 114 0, 0.0 3,-0.2 0, 0.0 245,-0.0 0.000 360.0 360.0 360.0-103.3 20.8 -2.3 -18.3 2 6 A Q + 0 0 145 1,-0.2 2,-0.1 2,-0.1 26,-0.0 0.420 360.0 95.4 -91.1 1.2 19.0 0.9 -18.9 3 7 A N + 0 0 40 25,-0.1 26,-0.5 2,-0.0 -1,-0.2 -0.008 67.8 126.6 -80.3 32.0 15.9 -0.5 -17.3 4 8 A T E -A 28 0A 29 24,-0.2 2,-0.3 -3,-0.2 24,-0.2 -0.164 44.0-166.3 -85.1 177.6 17.2 1.3 -14.3 5 9 A I E +A 27 0A 15 22,-1.3 22,-1.7 -2,-0.0 2,-0.3 -0.909 12.5 164.8-165.9 136.5 15.6 3.8 -11.9 6 10 A S E -A 26 0A 21 -2,-0.3 83,-1.9 20,-0.3 2,-0.3 -0.993 12.8-160.6-156.9 159.3 17.1 6.2 -9.4 7 11 A G E -AB 25 88A 0 18,-1.7 18,-1.0 -2,-0.3 81,-0.3 -0.989 18.3-118.1-152.2 142.4 16.4 9.2 -7.3 8 12 A K E S- B 0 87A 132 79,-0.9 79,-1.5 -2,-0.3 14,-0.1 -0.011 78.5 -6.0 -63.5 175.3 18.0 12.0 -5.3 9 13 A E E S+ 0 0 67 77,-0.2 78,-0.8 1,-0.1 2,-0.3 0.495 77.3 167.8 -5.1 115.5 17.6 12.6 -1.5 10 14 A G E - B 0 86A 0 12,-3.6 12,-0.4 76,-0.2 2,-0.4 -0.836 28.4-140.0-137.3 173.3 15.0 10.3 -0.0 11 15 A R E - B 0 85A 72 74,-1.5 74,-3.1 -2,-0.3 2,-0.4 -1.000 11.0-148.3-137.8 136.8 13.6 9.0 3.3 12 16 A L E - B 0 84A 0 8,-1.2 7,-2.0 -2,-0.4 2,-0.5 -0.893 12.7-153.9-108.3 134.9 12.5 5.5 4.3 13 17 A F E -CB 18 83A 61 70,-2.7 70,-1.5 -2,-0.4 2,-0.9 -0.903 8.7-150.4-113.4 129.7 9.7 4.9 6.8 14 18 A L E > S-C 17 0A 27 3,-2.9 3,-2.2 -2,-0.5 68,-0.1 -0.841 81.7 -44.6 -98.8 104.1 9.2 1.9 9.0 15 19 A D T 3 S- 0 0 156 -2,-0.9 -1,-0.2 66,-0.4 3,-0.1 0.705 129.1 -30.7 44.9 28.0 5.5 1.6 9.5 16 20 A G T 3 S+ 0 0 61 1,-0.3 2,-0.5 0, 0.0 -1,-0.3 0.181 114.0 105.7 123.9 -19.7 5.4 5.4 10.1 17 21 A E E < -C 14 0A 129 -3,-2.2 -3,-2.9 2,-0.0 -1,-0.3 -0.825 66.1-132.5 -99.0 129.2 8.7 6.2 11.7 18 22 A E E +C 13 0A 92 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.593 31.8 173.1 -71.9 138.3 11.2 8.0 9.5 19 23 A X + 0 0 19 -7,-2.0 44,-0.2 1,-0.3 2,-0.2 0.329 52.8 9.9-138.4 16.4 14.5 6.2 10.1 20 24 A A - 0 0 5 -8,-0.3 2,-2.1 42,-0.1 -8,-1.2 -0.505 56.8-132.1 168.2 119.6 17.3 7.4 7.7 21 25 A H - 0 0 48 40,-0.3 39,-1.0 -10,-0.2 40,-0.6 -0.598 38.7-162.0 -81.5 83.0 17.7 10.3 5.4 22 26 A I E - D 0 59A 0 -2,-2.1 -12,-3.6 -12,-0.4 37,-0.2 -0.543 4.4-161.4 -73.9 124.4 19.0 8.2 2.6 23 27 A K E + 0 0 51 35,-1.0 -13,-0.2 -2,-0.4 -16,-0.1 0.403 58.4 6.5 -77.5-142.3 20.8 10.1 -0.2 24 28 A T E + 0 0 78 33,-0.1 34,-2.6 -15,-0.1 2,-0.3 -0.066 69.6 172.7 -43.2 129.5 21.4 8.8 -3.7 25 29 A F E -AD 7 57A 1 -18,-1.0 -18,-1.7 32,-0.3 2,-0.3 -0.978 14.1-166.8-140.1 150.2 19.8 5.4 -4.4 26 30 A E E -AD 6 56A 66 30,-3.5 30,-1.3 -2,-0.3 -20,-0.3 -0.850 9.0-176.8-146.4 110.7 19.4 3.4 -7.6 27 31 A A E -AD 5 55A 0 -22,-1.7 -22,-1.3 -2,-0.3 28,-0.2 -0.198 16.9-141.2 -94.9-172.1 17.1 0.5 -8.2 28 32 A N E -AD 4 54A 60 26,-1.4 26,-1.2 -24,-0.2 -24,-0.2 -0.660 11.4-141.6-154.4 90.3 16.4 -2.0 -11.0 29 33 A V E - D 0 53A 5 -26,-0.5 2,-0.3 24,-0.2 24,-0.2 -0.328 34.1-122.1 -55.3 122.2 13.0 -3.2 -12.0 30 34 A E - 0 0 82 22,-1.8 2,-1.0 1,-0.1 21,-0.2 -0.542 15.5-150.9 -72.6 129.6 13.6 -6.9 -12.8 31 35 A K + 0 0 155 -2,-0.3 2,-0.4 7,-0.1 -1,-0.1 -0.768 32.5 169.2 -99.0 87.8 12.5 -7.8 -16.4 32 36 A N - 0 0 76 -2,-1.0 -2,-0.0 2,-0.1 6,-0.0 -0.878 38.6 -52.2-116.4 136.4 11.6 -11.5 -15.9 33 37 A K S S+ 0 0 182 -2,-0.4 2,-1.8 1,-0.1 0, 0.0 -0.069 112.6 15.4 54.1-142.7 9.9 -14.0 -18.1 34 38 A S S S+ 0 0 113 1,-0.1 -1,-0.1 -3,-0.0 2,-0.1 -0.462 96.0 101.0 -67.1 82.1 6.5 -13.4 -19.7 35 39 A E > - 0 0 69 -2,-1.8 3,-0.6 1,-0.1 -1,-0.1 -0.529 52.7-158.9-169.6 93.9 6.2 -9.6 -19.3 36 40 A V T 3 S- 0 0 125 1,-0.2 2,-0.6 -2,-0.1 -1,-0.1 0.888 80.8 -6.2 -39.1 -91.8 6.9 -7.2 -22.2 37 41 A N T 3> + 0 0 80 1,-0.2 4,-1.3 2,-0.1 -1,-0.2 -0.785 66.0 171.8-118.2 88.6 7.7 -3.8 -20.6 38 42 A I T <4 S+ 0 0 12 -2,-0.6 -1,-0.2 -3,-0.6 3,-0.1 0.951 79.2 38.8 -58.2 -57.0 7.1 -4.0 -16.8 39 43 A X T >> S+ 0 0 27 1,-0.2 4,-1.3 -10,-0.1 3,-0.7 0.985 105.9 62.3 -61.2 -63.5 8.5 -0.6 -15.9 40 44 A G H 3> S+ 0 0 23 1,-0.3 4,-1.1 2,-0.2 2,-0.9 0.805 108.6 46.4 -29.3 -51.3 7.3 1.5 -18.8 41 45 A R H 3< S+ 0 0 75 -4,-1.3 -1,-0.3 1,-0.2 4,-0.1 -0.525 105.2 54.7-101.5 69.2 3.8 0.8 -17.7 42 46 A R H X4 S+ 0 0 38 -2,-0.9 3,-0.5 -3,-0.7 88,-0.4 0.165 106.3 49.9-157.5 -36.9 3.8 1.4 -13.9 43 47 A X H 3< S+ 0 0 47 -4,-1.3 2,-0.3 1,-0.3 -2,-0.2 0.875 132.6 20.5 -74.3 -41.6 5.2 4.9 -14.1 44 48 A T T 3< S+ 0 0 103 -4,-1.1 -1,-0.3 -5,-0.4 2,-0.2 -0.665 125.2 22.6-128.0 74.6 2.5 5.6 -16.6 45 49 A G S < S- 0 0 48 -3,-0.5 2,-0.5 -2,-0.3 -4,-0.0 -0.745 78.5 -76.1 150.3 163.3 -0.2 2.9 -16.2 46 50 A H + 0 0 190 -2,-0.2 2,-0.3 -3,-0.0 -3,-0.1 -0.766 60.2 144.4 -88.6 127.6 -2.1 0.2 -14.3 47 51 A K - 0 0 22 -2,-0.5 -5,-0.1 -5,-0.1 -2,-0.0 -0.888 50.3 -50.4-152.6-177.3 -0.3 -3.0 -14.0 48 52 A T - 0 0 74 -2,-0.3 -1,-0.1 1,-0.2 0, 0.0 -0.241 55.3-111.8 -58.6 149.0 0.5 -6.1 -12.0 49 53 A T S S+ 0 0 116 1,-0.1 -1,-0.2 78,-0.1 -7,-0.0 0.238 92.7 105.7 -68.6 18.2 1.6 -5.4 -8.4 50 54 A G + 0 0 15 1,-0.1 78,-0.1 77,-0.1 3,-0.1 0.778 12.7 124.1 -65.4-116.0 5.0 -6.6 -9.6 51 55 A A + 0 0 1 76,-0.2 -1,-0.1 1,-0.2 2,-0.1 0.793 45.3 161.2 57.1 26.3 7.7 -4.1 -10.3 52 56 A N + 0 0 56 75,-0.2 -22,-1.8 -22,-0.1 2,-0.3 -0.422 11.4 140.4 -70.3 155.3 9.7 -6.2 -7.9 53 57 A G E -D 29 0A 5 72,-1.9 2,-0.3 -24,-0.2 -24,-0.2 -0.982 45.5-102.0-174.2-174.1 13.4 -5.7 -8.1 54 58 A T E +D 28 0A 84 -26,-1.2 -26,-1.4 -2,-0.3 2,-0.3 -0.841 40.7 147.8-122.8 169.0 16.9 -5.3 -6.7 55 59 A G E -DE 27 123A 7 68,-1.5 68,-1.2 -2,-0.3 2,-0.3 -0.937 31.5-120.6-172.5-166.5 18.9 -2.2 -6.1 56 60 A T E +DE 26 122A 38 -30,-1.3 -30,-3.5 -2,-0.3 2,-0.3 -0.985 22.2 171.4-155.2 158.0 21.4 -0.2 -4.1 57 61 A A E -DE 25 121A 2 64,-2.0 64,-2.6 -2,-0.3 2,-0.4 -0.977 23.5-130.4-166.8 156.3 21.6 3.0 -2.1 58 62 A T E - E 0 120A 23 -34,-2.6 -35,-1.0 -2,-0.3 62,-0.2 -0.946 22.2-131.1-119.4 135.8 23.7 5.0 0.2 59 63 A F E -D 22 0A 15 60,-0.7 -37,-0.2 -2,-0.4 3,-0.1 -0.488 7.3-158.7 -83.6 153.6 22.7 6.5 3.5 60 64 A Y S S+ 0 0 125 -39,-1.0 2,-0.3 1,-0.4 -38,-0.2 0.891 74.3 5.7 -91.9 -66.6 23.4 10.1 4.5 61 65 A K - 0 0 99 -40,-0.6 2,-0.5 2,-0.0 -1,-0.4 -0.870 64.4-146.2-121.0 155.8 23.1 10.2 8.3 62 66 A V - 0 0 52 -2,-0.3 2,-0.4 -3,-0.1 -42,-0.1 -0.926 9.3-145.2-128.6 111.8 22.5 7.3 10.8 63 67 A T > - 0 0 48 -2,-0.5 4,-2.0 -44,-0.2 3,-0.3 -0.565 14.6-136.8 -74.2 127.1 20.6 7.7 14.0 64 68 A S H > S+ 0 0 93 -2,-0.4 4,-2.7 1,-0.3 5,-0.4 0.922 107.2 59.6 -45.4 -49.4 21.9 5.7 16.9 65 69 A K H > S+ 0 0 166 1,-0.2 4,-3.5 2,-0.2 -1,-0.3 0.930 104.8 48.4 -44.5 -56.5 18.3 4.9 17.6 66 70 A F H > S+ 0 0 1 -3,-0.3 4,-3.7 2,-0.2 5,-0.3 0.938 111.4 48.6 -52.3 -53.8 18.0 3.3 14.2 67 71 A V H X S+ 0 0 18 -4,-2.0 4,-2.5 1,-0.3 -2,-0.2 0.974 114.7 44.5 -50.9 -63.3 21.2 1.2 14.5 68 72 A L H X S+ 0 0 113 -4,-2.7 4,-2.1 1,-0.2 -1,-0.3 0.887 113.1 54.3 -48.4 -40.9 20.2 -0.0 17.9 69 73 A L H X S+ 0 0 57 -4,-3.5 4,-1.0 -5,-0.4 3,-0.3 0.979 107.9 47.6 -58.7 -54.1 16.7 -0.6 16.4 70 74 A X H X S+ 0 0 0 -4,-3.7 4,-2.4 1,-0.2 3,-0.5 0.841 107.2 58.5 -53.9 -36.0 18.1 -2.7 13.6 71 75 A X H X S+ 0 0 89 -4,-2.5 4,-2.2 -5,-0.3 -1,-0.2 0.939 101.0 53.2 -61.2 -47.9 20.2 -4.6 16.1 72 76 A D H X S+ 0 0 72 -4,-2.1 4,-1.4 -3,-0.3 -1,-0.3 0.756 111.3 51.1 -58.7 -22.1 17.1 -5.7 18.0 73 77 A Y H <>S+ 0 0 53 -4,-1.0 5,-2.0 -3,-0.5 -2,-0.2 0.923 108.1 45.6 -80.6 -49.6 15.9 -6.9 14.6 74 78 A V H ><5S+ 0 0 51 -4,-2.4 3,-0.6 3,-0.3 -2,-0.2 0.784 107.7 64.0 -64.8 -24.5 18.9 -9.0 13.6 75 79 A K H 3<5S+ 0 0 137 -4,-2.2 -1,-0.2 1,-0.3 -2,-0.2 0.998 105.7 40.4 -58.6 -62.1 18.6 -10.3 17.1 76 80 A K T 3<5S- 0 0 130 -4,-1.4 -1,-0.3 -5,-0.1 -2,-0.2 0.442 120.3-122.4 -66.4 3.8 15.2 -11.8 16.4 77 81 A G T < 5 + 0 0 57 -3,-0.6 2,-0.3 1,-0.2 -3,-0.3 0.909 67.3 125.2 55.1 49.5 16.9 -12.7 13.1 78 82 A S < - 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