==== 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 LIGASE 13-JUL-06 2HNI . COMPND 2 MOLECULE: 235AA LONG HYPOTHETICAL BIOTIN-[ACETYL-COA-CARBOX . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR B.BAGAUTDINOV,N.KUNISHIMA,RIKEN STRUCTURAL GENOMICS/PROTEOMI . 465 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 21098.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 341 73.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 4.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 117 25.2 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 . 7 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 49 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 20.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 0.9 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 0 2 1 1 0 0 0 0 0 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 5 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 0 PARALLEL BRIDGES PER LADDER . 3 0 3 9 2 2 3 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 2 0 2 0 0 0 0 0 0 0 0 0 0 0 1 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 M 0 0 7 0, 0.0 385,-0.2 0, 0.0 384,-0.1 0.000 360.0 360.0 360.0 -21.8 -20.9 15.9 -22.7 2 2 A L - 0 0 7 246,-0.1 247,-0.1 383,-0.1 384,-0.1 0.710 360.0-148.1 -77.5 -21.8 -18.8 12.8 -22.1 3 3 A G - 0 0 30 245,-0.2 2,-0.2 1,-0.2 246,-0.1 0.875 23.9-177.4 55.7 41.5 -17.6 12.6 -25.7 4 4 A L - 0 0 13 6,-0.2 -1,-0.2 1,-0.1 268,-0.1 -0.496 16.2-164.9 -70.8 141.2 -17.4 8.8 -25.6 5 5 A K + 0 0 142 -2,-0.2 -1,-0.1 0, 0.0 6,-0.1 0.195 41.2 128.2-113.8 15.3 -16.1 7.3 -28.9 6 6 A T - 0 0 12 3,-0.1 152,-0.1 4,-0.1 4,-0.0 -0.212 56.8-135.0 -70.5 161.7 -17.1 3.7 -28.4 7 7 A S S S- 0 0 79 2,-0.1 -1,-0.1 4,-0.0 3,-0.1 0.890 86.7 -15.0 -84.6 -44.7 -19.1 1.6 -30.9 8 8 A I S > S+ 0 0 26 1,-0.2 3,-1.8 26,-0.0 2,-0.5 0.652 116.7 71.7-125.7 -62.2 -21.6 -0.2 -28.7 9 9 A I T 3 S+ 0 0 1 1,-0.3 -1,-0.2 148,-0.1 26,-0.2 -0.495 110.6 19.7 -67.8 114.7 -20.7 -0.1 -25.0 10 10 A G T 3 S+ 0 0 0 24,-3.2 -1,-0.3 -2,-0.5 -6,-0.2 0.575 74.6 129.3 103.6 10.3 -21.4 3.4 -23.8 11 11 A R S < S+ 0 0 129 -3,-1.8 238,-2.1 23,-0.3 239,-0.4 0.813 90.9 14.6 -62.4 -29.3 -23.6 4.7 -26.6 12 12 A R E S-A 248 0A 84 22,-0.5 24,-2.3 -4,-0.3 2,-0.4 -0.988 73.6-166.6-142.9 144.7 -25.8 5.7 -23.7 13 13 A V E -Ab 247 36A 3 234,-2.2 234,-3.3 -2,-0.3 2,-0.6 -0.998 5.8-160.5-136.7 130.7 -24.9 6.0 -20.0 14 14 A I E -Ab 246 37A 19 22,-3.1 24,-2.7 -2,-0.4 2,-0.4 -0.956 14.9-164.3-113.7 115.4 -27.4 6.4 -17.1 15 15 A Y E -Ab 245 38A 3 230,-3.3 230,-2.0 -2,-0.6 2,-0.4 -0.801 5.0-169.1-102.6 140.2 -25.8 7.8 -14.0 16 16 A F E -Ab 244 39A 1 22,-2.2 24,-2.0 -2,-0.4 25,-0.3 -0.989 25.5-147.7-127.1 137.1 -27.3 7.7 -10.5 17 17 A Q S S- 0 0 43 226,-2.2 2,-0.3 -2,-0.4 24,-0.3 0.912 95.6 -1.0 -65.3 -37.8 -26.2 9.5 -7.4 18 18 A E S S+ 0 0 104 225,-0.4 -1,-0.3 22,-0.2 2,-0.3 -0.992 72.0 169.6-150.9 147.7 -27.5 6.4 -5.6 19 19 A I B -q 42 0B 14 22,-1.6 24,-2.2 -2,-0.3 25,-0.4 -0.982 39.8-122.9-155.6 156.7 -29.2 3.2 -6.6 20 20 A T S S- 0 0 65 -2,-0.3 24,-2.3 1,-0.3 2,-0.3 0.978 94.7 -20.7 -65.9 -54.8 -30.3 -0.1 -5.1 21 21 A S > - 0 0 3 22,-0.1 4,-2.2 21,-0.1 -1,-0.3 -0.933 46.8-147.3-158.4 128.9 -28.3 -2.1 -7.7 22 22 A T H > S+ 0 0 4 -2,-0.3 4,-2.3 2,-0.2 5,-0.2 0.899 105.6 51.4 -64.9 -38.5 -27.0 -1.3 -11.2 23 23 A N H > S+ 0 0 8 2,-0.2 4,-2.5 1,-0.2 5,-0.2 0.934 109.9 48.2 -64.2 -45.3 -27.5 -4.9 -12.2 24 24 A E H > S+ 0 0 64 1,-0.2 4,-2.5 2,-0.2 5,-0.2 0.927 112.7 48.2 -62.4 -42.5 -31.1 -5.0 -11.0 25 25 A F H X S+ 0 0 49 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.902 113.8 47.6 -63.5 -40.6 -32.0 -1.7 -12.7 26 26 A A H < S+ 0 0 0 -4,-2.3 -1,-0.2 2,-0.2 -2,-0.2 0.859 113.1 47.8 -68.7 -37.7 -30.4 -2.9 -16.0 27 27 A K H < S+ 0 0 69 -4,-2.5 -2,-0.2 -5,-0.2 -1,-0.2 0.918 118.7 40.0 -67.4 -45.2 -32.2 -6.3 -15.8 28 28 A T H < S+ 0 0 110 -4,-2.5 -2,-0.2 -5,-0.2 -3,-0.2 0.862 101.8 77.6 -73.7 -42.5 -35.6 -4.7 -15.1 29 29 A S S < S- 0 0 26 -4,-2.4 2,-0.9 -5,-0.2 -4,-0.0 -0.312 84.4-111.6 -76.6 154.3 -35.6 -1.6 -17.4 30 30 A Y + 0 0 236 -2,-0.1 2,-0.4 2,-0.0 -1,-0.1 -0.755 56.2 160.9 -83.0 109.5 -36.2 -1.5 -21.1 31 31 A L - 0 0 38 -2,-0.9 2,-0.1 -5,-0.2 3,-0.1 -0.991 39.5-115.7-138.6 144.6 -32.7 -0.5 -22.4 32 32 A E > - 0 0 115 -2,-0.4 3,-1.9 1,-0.1 29,-0.2 -0.404 48.0 -87.4 -74.4 150.0 -30.8 -0.6 -25.7 33 33 A E T 3 S+ 0 0 56 1,-0.3 29,-0.2 -2,-0.1 -1,-0.1 -0.265 115.1 31.3 -56.0 140.5 -27.7 -2.8 -26.0 34 34 A G T 3 S+ 0 0 0 27,-3.6 -24,-3.2 1,-0.3 -22,-0.5 0.253 81.6 140.9 93.9 -12.5 -24.6 -1.0 -24.9 35 35 A T < - 0 0 4 -3,-1.9 26,-2.3 26,-0.2 2,-0.4 -0.472 40.1-150.5 -67.3 131.4 -26.3 1.1 -22.3 36 36 A V E -bC 13 60A 0 -24,-2.3 -22,-3.1 24,-0.2 2,-0.5 -0.900 5.3-158.3-106.6 131.4 -24.2 1.5 -19.2 37 37 A I E +bC 14 59A 0 22,-3.2 22,-2.3 -2,-0.4 2,-0.4 -0.951 21.5 172.6-108.6 122.3 -25.8 2.0 -15.8 38 38 A V E -bC 15 58A 0 -24,-2.7 -22,-2.2 -2,-0.5 2,-0.3 -0.988 9.5-176.6-135.9 143.7 -23.4 3.6 -13.2 39 39 A A E -bC 16 57A 0 18,-2.0 18,-0.7 -2,-0.4 -22,-0.2 -0.982 36.0-130.0-140.6 150.9 -23.9 4.9 -9.7 40 40 A D S S- 0 0 8 -24,-2.0 15,-0.5 -2,-0.3 14,-0.4 0.821 98.0 -3.0 -65.0 -31.8 -21.8 6.7 -7.0 41 41 A K - 0 0 43 -25,-0.3 -22,-1.6 -24,-0.3 2,-0.5 -0.986 60.6-139.6-160.2 152.3 -23.0 4.0 -4.6 42 42 A Q B -qR 19 51B 18 9,-1.5 9,-2.4 -2,-0.3 3,-0.5 -0.964 4.7-163.9-114.4 130.7 -25.3 0.9 -4.4 43 43 A T S S+ 0 0 47 -24,-2.2 -23,-0.2 -2,-0.5 -22,-0.1 0.638 92.9 28.6 -87.9 -15.3 -27.3 0.5 -1.3 44 44 A M S S+ 0 0 120 -24,-2.3 -1,-0.2 -25,-0.4 -24,-0.1 -0.294 82.6 155.0-140.5 52.9 -28.0 -3.2 -2.1 45 45 A G + 0 0 25 -3,-0.5 2,-0.3 -24,-0.1 -24,-0.1 -0.330 11.5 159.2 -77.0 164.2 -25.1 -4.5 -4.1 46 46 A H - 0 0 108 -2,-0.1 2,-0.1 66,-0.0 -2,-0.0 -0.967 24.7-146.4-175.6 163.2 -24.1 -8.1 -4.3 47 47 A G 0 0 44 1,-0.4 65,-0.1 -2,-0.3 63,-0.0 -0.193 360.0 360.0-118.0-149.3 -22.3 -10.8 -6.2 48 48 A R 0 0 129 63,-0.2 -1,-0.4 -2,-0.1 177,-0.1 -0.186 360.0 360.0 -62.4 360.0 -22.8 -14.6 -6.8 49 ! 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 50 54 A E 0 0 142 0, 0.0 -7,-0.2 0, 0.0 -30,-0.0 0.000 360.0 360.0 360.0 135.1 -23.4 -1.2 0.2 51 55 A S B -R 42 0B 16 -9,-2.4 -9,-1.5 4,-0.0 3,-0.1 -0.906 360.0-138.2 -95.5 103.9 -20.9 -0.4 -2.5 52 56 A P > - 0 0 37 0, 0.0 3,-1.5 0, 0.0 78,-0.1 -0.051 20.3 -82.4 -71.0 161.3 -19.7 2.9 -1.0 53 57 A E T 3 S+ 0 0 92 1,-0.2 78,-0.3 -12,-0.1 -12,-0.1 -0.297 111.9 49.1 -56.6 142.1 -18.9 6.2 -2.8 54 58 A G T 3 S+ 0 0 18 1,-0.5 75,-3.2 -14,-0.4 76,-0.5 0.124 92.0 96.5 111.1 -20.8 -15.5 6.2 -4.3 55 59 A G S < S- 0 0 0 -3,-1.5 2,-0.7 -15,-0.5 -1,-0.5 -0.450 78.7-112.3 -96.0 173.1 -15.8 2.9 -6.1 56 60 A L E + D 0 126A 0 70,-3.1 70,-2.5 -2,-0.1 2,-0.6 -0.922 37.0 176.8-110.0 108.2 -16.8 2.2 -9.7 57 61 A W E +CD 39 125A 14 -18,-0.7 -18,-2.0 -2,-0.7 2,-0.3 -0.932 17.2 145.5-115.1 108.6 -20.2 0.4 -9.8 58 62 A L E -CD 38 124A 1 66,-2.5 66,-3.1 -2,-0.6 2,-0.3 -0.969 31.6-159.1-146.9 160.1 -21.6 -0.3 -13.2 59 63 A S E -CD 37 123A 0 -22,-2.3 -22,-3.2 -2,-0.3 2,-0.4 -0.987 12.0-151.6-136.3 145.4 -23.7 -2.6 -15.4 60 64 A I E -CD 36 122A 0 62,-2.0 62,-2.8 -2,-0.3 2,-0.5 -0.971 12.1-136.6-123.7 132.1 -23.8 -3.0 -19.1 61 65 A V E + D 0 121A 5 -26,-2.3 -27,-3.6 -2,-0.4 2,-0.3 -0.759 30.9 177.4 -87.8 125.2 -26.7 -4.2 -21.2 62 66 A L E - D 0 120A 1 58,-3.0 58,-3.3 -2,-0.5 -29,-0.0 -0.946 26.5-176.7-130.6 150.1 -25.7 -6.7 -23.9 63 67 A S - 0 0 27 -2,-0.3 2,-0.2 56,-0.2 56,-0.1 -0.468 21.3-172.5-142.5 63.4 -27.6 -8.7 -26.5 64 68 A P - 0 0 8 0, 0.0 2,-1.3 0, 0.0 54,-0.2 -0.390 20.1-145.7 -64.3 127.6 -24.8 -10.8 -28.1 65 69 A K + 0 0 153 -2,-0.2 3,-0.0 53,-0.0 -2,-0.0 -0.522 59.4 116.8 -94.3 65.6 -26.0 -12.8 -31.2 66 70 A V S S- 0 0 24 -2,-1.3 5,-0.1 1,-0.1 102,-0.1 -0.808 75.2 -66.6-126.9 167.3 -23.7 -15.7 -30.5 67 71 A P >> - 0 0 71 0, 0.0 3,-1.6 0, 0.0 4,-0.8 -0.206 44.5-118.9 -54.9 144.4 -24.3 -19.4 -29.7 68 72 A Q T 34 S+ 0 0 167 1,-0.3 3,-0.3 2,-0.2 -2,-0.0 0.776 112.7 64.3 -54.2 -28.9 -25.9 -20.1 -26.4 69 73 A K T 34 S+ 0 0 124 1,-0.2 -1,-0.3 2,-0.1 4,-0.1 0.777 99.2 50.9 -67.9 -29.7 -22.7 -22.1 -25.4 70 74 A D T X4 S+ 0 0 12 -3,-1.6 3,-2.8 1,-0.2 4,-0.3 0.696 85.5 86.9 -82.4 -20.5 -20.5 -19.0 -25.6 71 75 A L G >< S+ 0 0 38 -4,-0.8 3,-1.9 -3,-0.3 4,-0.3 0.825 78.7 64.6 -49.1 -37.4 -22.8 -16.9 -23.4 72 76 A P G 3 S+ 0 0 60 0, 0.0 3,-0.5 0, 0.0 -1,-0.3 0.666 91.2 67.9 -63.5 -12.4 -20.9 -18.2 -20.3 73 77 A K G X> S+ 0 0 5 -3,-2.8 4,-0.9 1,-0.2 3,-0.8 0.540 73.6 88.6 -83.1 -8.3 -17.8 -16.5 -21.5 74 78 A I H X> S+ 0 0 0 -3,-1.9 4,-1.3 -4,-0.3 3,-0.9 0.880 78.4 61.5 -58.6 -39.8 -19.3 -13.0 -20.9 75 79 A V H 3> S+ 0 0 4 -3,-0.5 4,-2.0 -4,-0.3 -1,-0.2 0.863 99.3 57.6 -57.1 -33.6 -18.0 -12.8 -17.4 76 80 A F H <> S+ 0 0 3 -3,-0.8 4,-2.9 -4,-0.2 5,-0.3 0.827 97.8 60.0 -66.7 -31.7 -14.4 -13.1 -18.7 77 81 A L H S+ 0 0 0 -4,-2.9 5,-3.0 1,-0.2 3,-0.5 0.903 108.4 52.2 -64.0 -38.3 -5.6 -1.7 -14.0 87 91 A K H ><5S+ 0 0 118 -4,-2.4 3,-1.9 3,-0.3 -1,-0.2 0.863 102.5 58.8 -66.1 -33.3 -2.5 -2.3 -16.1 88 92 A E H 3<5S+ 0 0 110 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.814 109.3 44.8 -63.5 -29.6 -3.0 1.1 -17.8 89 93 A F T 3<5S- 0 0 46 -4,-1.1 -1,-0.3 -3,-0.5 -2,-0.2 0.178 124.2-109.2 -98.0 16.5 -2.8 2.5 -14.2 90 94 A S T < 5S+ 0 0 110 -3,-1.9 2,-0.5 1,-0.2 -3,-0.3 0.811 74.4 136.3 60.4 36.6 0.2 0.3 -13.5 91 95 A I < - 0 0 7 -5,-3.0 2,-1.7 -8,-0.2 -1,-0.2 -0.951 56.6-129.4-113.8 130.8 -1.6 -2.0 -11.1 92 96 A D - 0 0 97 -2,-0.5 12,-0.4 -3,-0.1 2,-0.3 -0.531 31.7-177.3 -84.2 79.1 -1.1 -5.7 -11.5 93 97 A G - 0 0 0 -2,-1.7 2,-0.4 -10,-0.4 10,-0.2 -0.578 2.9-169.6 -78.1 135.7 -4.6 -7.1 -11.6 94 98 A R E -E 102 0A 81 8,-2.8 8,-3.3 -2,-0.3 2,-0.4 -0.979 21.5-117.5-128.3 140.2 -4.8 -10.9 -11.8 95 99 A I E -Ef 101 182A 0 86,-3.1 88,-2.7 -2,-0.4 2,-0.7 -0.631 15.5-161.4 -84.3 125.9 -7.9 -13.0 -12.4 96 100 A K E > -E 100 0A 41 4,-3.1 4,-2.2 -2,-0.4 3,-0.4 -0.925 53.9 -73.1-102.5 109.5 -9.2 -15.4 -9.8 97 101 A W T 4 S- 0 0 10 -2,-0.7 131,-0.2 86,-0.3 4,-0.0 -0.143 102.5 -2.3 -48.6 135.4 -11.4 -17.8 -11.8 98 102 A P T 4 S- 0 0 4 0, 0.0 -1,-0.3 0, 0.0 -19,-0.2 -0.990 132.5 -6.9-110.0 -8.3 -14.0 -17.2 -12.8 99 103 A N T 4 S+ 0 0 13 -3,-0.4 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