==== 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 31-OCT-06 2NQW . COMPND 2 MOLECULE: CBS DOMAIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PORPHYROMONAS GINGIVALIS; . AUTHOR M.E.CUFF,L.VOLKART,J.ABDULLAH,A.JOACHIMIAK,MIDWEST CENTER FO . 87 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5632.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 53 60.9 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 . 24 27.6 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 . 1 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 2.3 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 . 3 3.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 9 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 17.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.1 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 1 0 0 0 1 1 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 . 1 0 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 4 A L 0 0 162 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 141.7 -4.3 25.1 3.6 2 5 A P + 0 0 21 0, 0.0 12,-2.5 0, 0.0 2,-0.3 0.287 360.0 55.0 -82.8 11.3 -1.6 25.0 6.2 3 6 A F E -A 13 0A 36 10,-0.2 2,-0.4 8,-0.0 10,-0.2 -0.973 63.4-140.3-145.8 158.9 1.1 25.2 3.5 4 7 A K E -A 12 0A 128 8,-2.3 8,-1.8 -2,-0.3 2,-0.6 -0.928 17.3-139.3-117.3 140.5 2.6 27.1 0.6 5 8 A V E -A 11 0A 109 -2,-0.4 2,-0.3 6,-0.2 6,-0.2 -0.895 24.9-154.2 -97.4 116.5 4.0 25.6 -2.6 6 9 A L > - 0 0 55 4,-2.5 3,-2.0 -2,-0.6 -2,-0.0 -0.676 22.0-122.0 -97.4 152.8 7.1 27.5 -3.6 7 10 A G T 3 S+ 0 0 89 1,-0.3 -1,-0.1 -2,-0.3 4,-0.0 0.763 108.9 63.1 -63.1 -23.4 8.5 27.8 -7.1 8 11 A D T 3 S- 0 0 98 1,-0.1 -1,-0.3 2,-0.0 3,-0.1 0.408 121.8-101.2 -83.8 8.0 11.8 26.4 -6.0 9 12 A G S < S+ 0 0 33 -3,-2.0 77,-0.3 1,-0.3 -2,-0.1 0.425 87.7 114.7 89.8 -1.2 10.2 23.0 -5.1 10 13 A S - 0 0 0 75,-0.1 -4,-2.5 74,-0.0 2,-0.3 -0.376 53.0-139.4 -94.8 177.0 10.2 23.8 -1.3 11 14 A Y E -AB 5 83A 54 72,-2.4 72,-2.4 -6,-0.2 2,-0.5 -0.974 5.2-146.8-135.4 151.1 7.3 24.3 1.1 12 15 A L E -AB 4 82A 31 -8,-1.8 -8,-2.3 -2,-0.3 2,-0.4 -0.989 25.4-176.5-116.5 125.7 6.4 26.5 3.9 13 16 A F E -AB 3 81A 0 68,-3.1 68,-2.7 -2,-0.5 -10,-0.2 -0.944 33.2-107.4-118.9 147.1 4.2 24.9 6.7 14 17 A E E > - B 0 80A 81 -12,-2.5 3,-1.8 -2,-0.4 66,-0.3 -0.433 33.8-126.4 -59.3 139.5 2.6 26.3 9.8 15 18 A G T 3 S+ 0 0 0 64,-1.4 29,-2.4 1,-0.3 30,-0.3 0.842 106.7 58.7 -63.3 -31.6 4.6 24.9 12.7 16 19 A K T 3 S+ 0 0 150 63,-0.3 -1,-0.3 27,-0.2 -2,-0.1 0.512 75.2 124.9 -76.5 -2.4 1.5 23.5 14.4 17 20 A T < - 0 0 4 -3,-1.8 26,-2.5 -15,-0.2 27,-0.2 -0.335 67.1-117.0 -60.9 132.6 0.7 21.3 11.4 18 21 A S B > -E 42 0B 23 24,-0.2 4,-2.4 1,-0.1 24,-0.3 -0.334 14.6-122.7 -64.8 151.9 0.3 17.7 12.5 19 22 A L H > S+ 0 0 5 22,-1.9 4,-2.6 1,-0.2 5,-0.2 0.887 115.4 59.7 -59.8 -36.1 2.8 15.2 11.0 20 23 A S H > S+ 0 0 67 21,-0.4 4,-2.3 1,-0.2 -1,-0.2 0.933 107.2 44.7 -51.0 -51.1 -0.3 13.3 9.7 21 24 A D H > S+ 0 0 76 2,-0.2 4,-2.8 1,-0.2 5,-0.2 0.852 109.8 54.4 -69.8 -34.8 -1.3 16.4 7.8 22 25 A V H X S+ 0 0 0 -4,-2.4 4,-2.4 2,-0.2 6,-0.2 0.945 111.0 46.1 -60.5 -46.5 2.2 17.0 6.5 23 26 A R H X>S+ 0 0 50 -4,-2.6 5,-2.2 2,-0.2 4,-0.5 0.897 113.0 51.8 -63.2 -36.9 2.3 13.4 5.1 24 27 A H H ><5S+ 0 0 124 -4,-2.3 3,-0.9 -5,-0.2 -2,-0.2 0.963 114.7 39.7 -60.8 -52.7 -1.2 14.0 3.7 25 28 A Y H 3<5S+ 0 0 74 -4,-2.8 -2,-0.2 1,-0.2 -1,-0.2 0.784 120.5 43.9 -74.7 -26.2 -0.4 17.2 1.8 26 29 A L H 3<5S- 0 0 15 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.327 106.7-121.7-100.6 8.7 3.1 16.1 0.6 27 30 A D T <<5 + 0 0 147 -3,-0.9 -3,-0.2 -4,-0.5 -4,-0.1 0.871 54.5 164.8 53.9 53.2 1.9 12.6 -0.4 28 31 A L < - 0 0 26 -5,-2.2 -1,-0.2 -6,-0.2 -2,-0.1 -0.592 39.9-107.4-101.8 151.5 4.4 10.9 1.9 29 32 A P > - 0 0 80 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.302 38.1-103.9 -68.7 162.9 4.5 7.3 3.1 30 33 A E T 3 S+ 0 0 174 1,-0.3 3,-0.4 2,-0.1 -7,-0.1 0.768 119.3 49.9 -61.2 -30.4 3.5 6.5 6.7 31 34 A N T > S+ 0 0 120 1,-0.2 3,-1.5 2,-0.1 -1,-0.3 0.215 72.3 116.7 -94.3 16.8 7.1 6.0 7.8 32 35 A A T < S+ 0 0 13 -3,-2.0 -1,-0.2 1,-0.3 34,-0.2 0.832 85.7 34.7 -55.0 -39.0 8.5 9.3 6.3 33 36 A F T 3> S- 0 0 3 -3,-0.4 4,-2.5 -4,-0.2 -1,-0.3 0.318 101.9-157.7-105.0 8.4 9.4 10.7 9.8 34 37 A G H <> - 0 0 16 -3,-1.5 4,-1.4 2,-0.2 -1,-0.2 0.128 47.9 -30.6 61.9-162.3 10.4 7.4 11.2 35 38 A E H 4 S+ 0 0 158 1,-0.2 4,-0.5 2,-0.2 -1,-0.2 0.875 136.7 56.5 -64.6 -36.8 10.5 6.4 14.9 36 39 A L H >4 S+ 0 0 41 1,-0.2 3,-1.7 2,-0.2 -1,-0.2 0.936 105.9 50.5 -59.3 -45.9 11.4 9.9 15.9 37 40 A G H >< S+ 0 0 4 -4,-2.5 3,-1.5 1,-0.3 -1,-0.2 0.816 99.7 65.6 -62.5 -28.1 8.3 11.2 14.3 38 41 A D T 3< S+ 0 0 124 -4,-1.4 -1,-0.3 1,-0.3 -2,-0.2 0.674 94.5 61.3 -67.8 -15.4 6.2 8.6 16.1 39 42 A E T < S+ 0 0 113 -3,-1.7 2,-0.3 -4,-0.5 -1,-0.3 0.515 107.3 43.3 -87.1 -6.1 7.2 10.3 19.4 40 43 A V < - 0 0 36 -3,-1.5 -21,-0.0 -4,-0.2 3,-0.0 -0.843 62.6-143.2-138.9 171.3 5.5 13.7 18.5 41 44 A D S S+ 0 0 114 -2,-0.3 -22,-1.9 -22,-0.1 -21,-0.4 0.659 74.0 41.2-109.7 -24.8 2.4 15.1 16.9 42 45 A T B > S-E 18 0B 30 -24,-0.3 4,-2.2 -23,-0.1 -24,-0.2 -0.814 77.2-109.7-129.9 167.3 3.4 18.2 14.9 43 46 A L H > S+ 0 0 1 -26,-2.5 4,-2.1 -28,-0.3 -27,-0.2 0.910 121.4 48.1 -62.1 -43.9 6.1 19.5 12.5 44 47 A S H > S+ 0 0 24 -29,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.907 109.4 55.5 -65.2 -34.6 7.5 21.9 15.2 45 48 A G H > S+ 0 0 12 -30,-0.3 4,-2.3 1,-0.2 -2,-0.2 0.900 105.6 50.8 -61.7 -41.3 7.4 18.9 17.6 46 49 A L H X S+ 0 0 1 -4,-2.2 4,-2.2 2,-0.2 -1,-0.2 0.922 109.0 52.0 -62.1 -41.7 9.6 16.9 15.2 47 50 A F H X S+ 0 0 2 -4,-2.1 4,-2.6 1,-0.2 5,-0.3 0.946 111.9 45.7 -58.1 -47.1 12.0 19.8 15.0 48 51 A L H X S+ 0 0 69 -4,-2.5 4,-2.6 1,-0.2 -1,-0.2 0.847 110.1 54.6 -64.3 -35.6 12.3 19.9 18.8 49 52 A E H < S+ 0 0 54 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.863 113.2 42.7 -67.8 -35.2 12.7 16.1 18.9 50 53 A I H < S+ 0 0 43 -4,-2.2 -2,-0.2 -5,-0.2 -1,-0.2 0.919 124.3 33.2 -72.0 -45.4 15.6 16.3 16.5 51 54 A K H < S- 0 0 60 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.757 81.8-155.9 -91.6 -27.2 17.4 19.4 18.0 52 55 A Q < + 0 0 144 -4,-2.6 2,-0.3 -5,-0.3 -3,-0.1 0.851 60.8 87.5 55.0 43.7 16.5 18.9 21.7 53 56 A E S S- 0 0 99 -5,-0.2 -1,-0.2 0, 0.0 -2,-0.1 -0.969 91.8 -77.0-158.0 163.1 16.9 22.6 22.5 54 57 A L - 0 0 145 -2,-0.3 2,-0.1 1,-0.1 0, 0.0 -0.481 60.2-118.8 -66.2 138.9 14.8 25.8 22.5 55 58 A P - 0 0 27 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.384 26.7-168.7 -84.5 157.1 14.5 27.0 18.9 56 59 A H > - 0 0 131 -2,-0.1 3,-2.0 14,-0.0 14,-0.3 -0.970 38.9 -89.4-131.0 155.9 15.5 30.2 17.1 57 60 A V T 3 S+ 0 0 87 -2,-0.3 14,-0.2 1,-0.2 3,-0.1 -0.357 115.9 32.6 -57.0 136.8 14.7 31.6 13.7 58 61 A G T 3 S+ 0 0 42 12,-2.9 -1,-0.2 1,-0.3 13,-0.1 0.237 85.1 135.3 95.6 -14.6 17.3 30.3 11.3 59 62 A D < - 0 0 32 -3,-2.0 11,-2.7 11,-0.2 -1,-0.3 -0.384 36.9-160.2 -65.7 149.1 17.8 26.9 13.0 60 63 A T E -C 69 0A 44 9,-0.2 2,-0.3 -3,-0.1 9,-0.2 -0.869 10.6-173.5-127.0 160.8 17.9 23.9 10.8 61 64 A A E -C 68 0A 4 7,-2.0 7,-3.0 -2,-0.3 2,-0.4 -0.986 11.4-145.7-150.3 151.1 17.3 20.1 11.3 62 65 A V E +C 67 0A 59 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.964 23.7 164.6-123.4 136.1 17.7 17.1 9.1 63 66 A Y E > -C 66 0A 65 3,-2.4 3,-2.6 -2,-0.4 -29,-0.0 -0.770 62.6 -84.9-141.4 93.7 15.8 13.8 9.1 64 67 A E T 3 S+ 0 0 152 1,-0.4 3,-0.1 -2,-0.3 -2,-0.0 -0.085 114.2 16.4 -53.7 138.5 16.8 12.3 5.7 65 68 A P T 3 S+ 0 0 65 0, 0.0 -1,-0.4 0, 0.0 2,-0.3 -0.952 121.3 74.0 -88.7 12.4 15.7 13.0 3.1 66 69 A F E < -C 63 0A 6 -3,-2.6 -3,-2.4 -34,-0.2 2,-0.4 -0.621 53.1-168.7 -93.1 146.4 14.1 16.1 4.7 67 70 A R E -C 62 0A 103 -2,-0.3 17,-2.5 -5,-0.2 2,-0.3 -0.999 11.6-165.3-128.0 134.7 15.7 19.3 5.8 68 71 A F E -CD 61 83A 2 -7,-3.0 -7,-2.0 -2,-0.4 2,-0.4 -0.889 7.1-171.4-120.0 146.0 13.8 21.8 7.9 69 72 A Q E -CD 60 82A 57 13,-1.9 13,-2.8 -2,-0.3 2,-0.8 -0.996 26.4-127.5-137.7 134.7 14.4 25.4 8.7 70 73 A V E + D 0 81A 0 -11,-2.7 -12,-2.9 -2,-0.4 11,-0.2 -0.711 34.0 170.4 -76.6 114.2 12.6 27.6 11.3 71 74 A T E + 0 0 38 9,-1.9 2,-0.3 -2,-0.8 10,-0.2 0.717 60.7 20.2-100.0 -24.4 11.6 30.6 9.2 72 75 A Q E + D 0 80A 93 8,-1.6 7,-2.2 -16,-0.1 8,-1.9 -0.996 57.4 175.3-145.6 144.1 9.3 32.4 11.6 73 76 A X E - D 0 78A 47 -2,-0.3 5,-0.2 5,-0.3 2,-0.1 -0.959 20.1-143.9-133.8 154.5 8.6 32.5 15.3 74 77 A D - 0 0 88 3,-2.1 5,-0.1 -2,-0.3 -1,-0.0 -0.074 64.3 -63.9 -90.6-154.3 6.4 34.5 17.6 75 78 A K S S+ 0 0 196 1,-0.2 3,-0.1 -2,-0.1 -2,-0.0 0.836 129.9 2.4 -68.3 -25.5 7.8 35.4 21.0 76 79 A R S S+ 0 0 205 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.547 116.7 65.9-133.1 -12.9 7.9 31.7 22.1 77 80 A R S S- 0 0 175 0, 0.0 -3,-2.1 0, 0.0 2,-0.5 -0.916 73.5-114.1-126.7 146.1 6.8 29.3 19.4 78 81 A I E + D 0 73A 15 -2,-0.3 -5,-0.3 -5,-0.2 -34,-0.1 -0.642 36.5 171.9 -67.3 120.7 7.8 28.1 16.0 79 82 A I E + 0 0 68 -7,-2.2 -64,-1.4 -2,-0.5 2,-0.4 0.638 61.2 28.9-109.8 -18.9 5.1 29.4 13.6 80 83 A E E -BD 14 72A 28 -8,-1.9 -9,-1.9 -66,-0.3 -8,-1.6 -0.987 58.7-173.9-145.2 136.3 6.6 28.5 10.2 81 84 A I E -BD 13 70A 0 -68,-2.7 -68,-3.1 -2,-0.4 2,-0.4 -0.993 17.3-141.0-124.2 132.9 8.9 25.8 9.0 82 85 A K E -BD 12 69A 41 -13,-2.8 -13,-1.9 -2,-0.4 2,-0.5 -0.785 8.7-157.6 -85.1 133.1 10.4 25.5 5.6 83 86 A I E -BD 11 68A 0 -72,-2.4 -72,-2.4 -2,-0.4 -15,-0.2 -0.972 21.2-135.5-107.0 120.8 10.7 21.9 4.1 84 87 A F - 0 0 48 -17,-2.5 -17,-0.2 -2,-0.5 -75,-0.1 -0.244 36.0 -78.2 -69.2 164.1 13.4 21.9 1.5 85 88 A P - 0 0 66 0, 0.0 2,-0.3 0, 0.0 -1,-0.2 -0.389 57.6-166.2 -59.8 145.1 12.9 20.2 -1.9 86 89 A F 0 0 62 -77,-0.3 -20,-0.1 -3,-0.1 -22,-0.0 -0.951 360.0 360.0-135.8 149.0 13.3 16.4 -1.4 87 90 A E 0 0 248 -2,-0.3 0, 0.0 -22,-0.2 0, 0.0 -0.494 360.0 360.0 -99.8 360.0 13.8 13.4 -3.7