==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIGASE 25-OCT-06 2E1H . COMPND 2 MOLECULE: 235AA LONG HYPOTHETICAL BIOTIN-[ACETYL-COA- . SOURCE 2 ORGANISM_SCIENTIFIC: PYROCOCCUS HORIKOSHII; . AUTHOR B.BAGAUTDINOV,N.KUNISHIMA,RIKEN STRUCTURAL . 460 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) . 342 74.3 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 . 116 25.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.2 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 0.7 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 . 1 0.2 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 . 46 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 48 10.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 97 21.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 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 4 8 3 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 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, 0.0 381,-0.2 0, 0.0 384,-0.1 0.000 360.0 360.0 360.0 -22.3 -20.5 16.0 -22.5 2 2 A L - 0 0 5 242,-0.1 243,-0.1 379,-0.1 380,-0.1 0.711 360.0-147.7 -75.9 -22.4 -18.3 12.9 -21.8 3 3 A G - 0 0 23 241,-0.2 2,-0.1 1,-0.2 242,-0.1 0.854 24.6-179.7 57.5 39.8 -17.2 12.7 -25.4 4 4 A L - 0 0 16 6,-0.2 -1,-0.2 1,-0.1 264,-0.1 -0.479 16.7-167.1 -70.8 142.1 -16.9 8.9 -25.5 5 5 A K + 0 0 185 -2,-0.1 -1,-0.1 0, 0.0 6,-0.1 0.120 39.9 129.5-118.1 21.4 -15.8 7.5 -28.8 6 6 A T - 0 0 12 3,-0.1 148,-0.1 4,-0.1 4,-0.0 -0.295 57.1-133.1 -73.0 160.8 -16.6 3.8 -28.3 7 7 A S S S- 0 0 84 2,-0.0 -1,-0.1 -2,-0.0 3,-0.1 0.902 86.6 -14.2 -82.6 -45.6 -18.6 1.8 -30.8 8 8 A I S > S+ 0 0 26 1,-0.2 3,-1.8 26,-0.0 2,-0.6 0.667 117.0 71.5-124.5 -58.8 -21.1 -0.0 -28.6 9 9 A I T 3 S+ 0 0 1 1,-0.3 -1,-0.2 144,-0.1 26,-0.2 -0.532 110.1 20.3 -71.6 114.5 -20.3 0.1 -24.9 10 10 A G T 3 S+ 0 0 0 24,-3.1 -1,-0.3 -2,-0.6 -6,-0.2 0.547 75.3 129.7 105.7 8.6 -20.9 3.6 -23.7 11 11 A R S < S+ 0 0 149 -3,-1.8 234,-2.2 23,-0.4 235,-0.4 0.871 90.5 12.5 -58.5 -36.1 -23.2 4.8 -26.5 12 12 A R E S-A 244 0A 83 22,-0.5 24,-2.2 -4,-0.3 2,-0.4 -0.988 73.8-165.5-136.1 149.7 -25.3 5.9 -23.6 13 13 A V E -Ab 243 36A 2 230,-2.1 230,-3.2 -2,-0.3 2,-0.6 -0.993 5.7-159.4-137.7 127.7 -24.5 6.2 -19.9 14 14 A I E -Ab 242 37A 16 22,-3.2 24,-2.6 -2,-0.4 2,-0.4 -0.948 15.3-163.8-111.0 115.6 -27.0 6.5 -17.1 15 15 A Y E -Ab 241 38A 4 226,-3.3 226,-2.5 -2,-0.6 2,-0.4 -0.813 5.5-170.4-101.9 139.8 -25.4 8.0 -14.0 16 16 A F E -Ab 240 39A 0 22,-2.1 24,-2.1 -2,-0.4 25,-0.3 -0.983 27.9-145.7-128.6 138.4 -27.0 7.8 -10.5 17 17 A Q S S- 0 0 42 222,-2.1 24,-0.4 -2,-0.4 2,-0.3 0.893 95.4 -4.8 -65.4 -37.9 -25.9 9.6 -7.3 18 18 A E + 0 0 113 221,-0.4 -1,-0.3 22,-0.2 2,-0.3 -0.992 69.2 173.0-154.5 151.9 -27.2 6.4 -5.6 19 19 A I B -q 42 0B 14 22,-1.6 24,-2.5 -2,-0.3 25,-0.4 -0.978 38.9-121.9-154.7 157.2 -28.9 3.2 -6.7 20 20 A T S S- 0 0 70 -2,-0.3 24,-2.6 1,-0.3 2,-0.3 0.977 95.7 -20.9 -66.1 -53.2 -29.9 -0.1 -5.1 21 21 A S > - 0 0 5 22,-0.1 4,-2.1 21,-0.1 -1,-0.3 -0.937 48.1-146.7-159.1 129.3 -28.0 -2.1 -7.6 22 22 A T H > S+ 0 0 4 -2,-0.3 4,-2.3 1,-0.2 5,-0.2 0.877 104.7 52.8 -68.2 -33.8 -26.7 -1.2 -11.1 23 23 A N H > S+ 0 0 9 2,-0.2 4,-2.4 1,-0.2 -1,-0.2 0.906 109.4 47.8 -67.0 -41.0 -27.2 -4.9 -12.2 24 24 A E H > S+ 0 0 63 2,-0.2 4,-2.4 1,-0.2 5,-0.2 0.912 112.3 48.8 -67.4 -40.5 -30.8 -4.9 -11.0 25 25 A F H X S+ 0 0 44 -4,-2.1 4,-2.5 1,-0.2 -2,-0.2 0.921 113.6 47.9 -62.9 -42.6 -31.6 -1.6 -12.7 26 26 A A H < S+ 0 0 0 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.884 113.2 46.6 -65.7 -40.7 -30.0 -2.9 -15.9 27 27 A K H < S+ 0 0 70 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.909 119.4 40.1 -67.9 -41.6 -31.9 -6.2 -15.8 28 28 A T H < S+ 0 0 108 -4,-2.4 -2,-0.2 -5,-0.2 -3,-0.2 0.855 101.3 77.7 -77.7 -39.9 -35.2 -4.6 -15.1 29 29 A S S < S- 0 0 29 -4,-2.5 2,-1.0 -5,-0.2 -4,-0.0 -0.314 84.7-111.0 -77.3 155.8 -35.2 -1.5 -17.3 30 30 A Y + 0 0 238 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 -0.778 57.5 159.3 -85.2 105.9 -35.8 -1.3 -21.0 31 31 A L - 0 0 35 -2,-1.0 2,-0.2 -5,-0.2 3,-0.1 -0.949 38.9-116.2-134.0 152.4 -32.3 -0.3 -22.3 32 32 A E > - 0 0 118 -2,-0.3 3,-1.9 1,-0.1 27,-0.2 -0.485 46.8 -84.6 -85.8 154.7 -30.4 -0.5 -25.5 33 33 A E T 3 S+ 0 0 60 1,-0.3 27,-0.2 -2,-0.2 -1,-0.1 -0.291 115.1 27.7 -57.4 138.2 -27.2 -2.5 -26.0 34 34 A G T 3 S+ 0 0 0 25,-3.4 -24,-3.1 1,-0.3 -22,-0.5 0.299 82.3 141.8 93.8 -10.3 -24.1 -0.8 -24.8 35 35 A T < - 0 0 3 -3,-1.9 24,-2.3 24,-0.2 2,-0.5 -0.495 39.4-150.4 -69.5 131.5 -25.9 1.3 -22.2 36 36 A V E -bC 13 58A 0 -24,-2.2 -22,-3.2 -2,-0.2 2,-0.5 -0.901 5.5-158.1-106.8 130.2 -23.8 1.6 -19.1 37 37 A I E +bC 14 57A 0 20,-3.1 20,-2.2 -2,-0.5 2,-0.4 -0.947 21.3 172.9-106.5 122.5 -25.4 2.1 -15.7 38 38 A V E -bC 15 56A 0 -24,-2.6 -22,-2.1 -2,-0.5 2,-0.3 -0.990 9.0-175.5-136.0 142.2 -23.0 3.7 -13.2 39 39 A A E -bC 16 55A 0 16,-1.9 16,-0.7 -2,-0.4 -22,-0.2 -0.980 34.7-131.2-138.1 149.1 -23.6 4.9 -9.6 40 40 A D S S- 0 0 7 -24,-2.1 13,-0.4 -2,-0.3 12,-0.4 0.856 97.4 -2.4 -64.9 -33.0 -21.5 6.7 -6.9 41 41 A K - 0 0 70 -24,-0.4 -22,-1.6 -25,-0.3 2,-0.5 -0.992 62.5-137.6-157.2 153.1 -22.7 4.0 -4.5 42 42 A Q B -qR 19 49B 22 7,-1.9 7,-0.6 -2,-0.3 3,-0.4 -0.956 5.3-162.8-113.3 131.5 -25.0 1.0 -4.4 43 43 A T S S+ 0 0 58 -24,-2.5 -23,-0.2 -2,-0.5 -22,-0.1 0.682 92.0 23.3 -86.4 -18.4 -27.2 0.6 -1.3 44 44 A M S S+ 0 0 126 -24,-2.6 -1,-0.2 -25,-0.4 -24,-0.1 -0.279 83.0 155.3-143.4 53.2 -27.8 -3.1 -2.0 45 45 A G 0 0 4 -3,-0.4 -24,-0.1 -26,-0.1 -25,-0.0 -0.317 360.0 360.0 -77.4 164.9 -25.0 -4.5 -4.1 46 46 A H 0 0 152 -2,-0.1 -2,-0.0 2,-0.0 64,-0.0 -0.974 360.0 360.0-169.5 360.0 -23.9 -8.1 -4.2 47 ! 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 48 54 A E 0 0 153 0, 0.0 -5,-0.1 0, 0.0 -2,-0.0 0.000 360.0 360.0 360.0-156.3 -22.2 -2.4 0.5 49 55 A S B -R 42 0B 17 -7,-0.6 -7,-1.9 77,-0.0 3,-0.1 -0.605 360.0-160.8 -79.8 94.1 -20.6 -0.5 -2.4 50 56 A P > - 0 0 51 0, 0.0 3,-1.5 0, 0.0 76,-0.1 -0.193 28.9 -78.0 -76.3 163.7 -19.4 2.8 -0.9 51 57 A E T 3 S+ 0 0 122 1,-0.2 76,-0.4 74,-0.1 -10,-0.1 -0.299 112.2 49.2 -57.8 138.1 -18.6 6.2 -2.6 52 58 A G T 3 S+ 0 0 18 1,-0.5 73,-3.0 -12,-0.4 74,-0.4 0.068 90.8 95.6 117.1 -22.4 -15.2 6.1 -4.2 53 59 A G S < S- 0 0 0 -3,-1.5 2,-0.7 -13,-0.4 -1,-0.5 -0.460 78.5-111.9 -96.1 171.5 -15.5 2.9 -6.1 54 60 A L E + D 0 122A 0 68,-3.0 68,-2.4 -2,-0.1 2,-0.6 -0.917 37.7 177.5-106.0 110.5 -16.5 2.2 -9.7 55 61 A W E +CD 39 121A 15 -2,-0.7 -16,-1.9 -16,-0.7 2,-0.3 -0.938 16.8 144.7-118.0 108.8 -19.9 0.5 -9.7 56 62 A L E -CD 38 120A 1 64,-2.5 64,-3.1 -2,-0.6 2,-0.3 -0.955 31.9-159.3-146.3 163.0 -21.3 -0.2 -13.1 57 63 A S E -CD 37 119A 0 -20,-2.2 -20,-3.1 -2,-0.3 2,-0.4 -0.984 12.7-151.4-138.6 147.1 -23.3 -2.6 -15.3 58 64 A I E -CD 36 118A 0 60,-1.9 60,-2.6 -2,-0.3 2,-0.5 -0.984 12.3-135.7-126.4 130.9 -23.4 -2.9 -19.1 59 65 A V E + D 0 117A 5 -24,-2.3 -25,-3.4 -2,-0.4 2,-0.3 -0.730 30.8 179.5 -84.8 125.6 -26.4 -4.1 -21.2 60 66 A L E - D 0 116A 1 56,-2.9 56,-2.9 -2,-0.5 -27,-0.0 -0.934 26.3-176.1-128.7 150.7 -25.3 -6.6 -23.9 61 67 A S - 0 0 42 -2,-0.3 2,-0.3 54,-0.2 -28,-0.1 -0.439 20.9-176.5-141.2 60.6 -27.2 -8.5 -26.6 62 68 A P - 0 0 11 0, 0.0 2,-1.4 0, 0.0 -2,-0.1 -0.437 20.4-149.8 -66.4 124.1 -24.4 -10.6 -28.1 63 69 A K + 0 0 171 -2,-0.3 3,-0.0 3,-0.0 -2,-0.0 -0.611 54.4 123.9 -95.3 74.1 -25.6 -12.7 -31.1 64 70 A V S S- 0 0 22 -2,-1.4 5,-0.1 1,-0.1 100,-0.1 -0.812 71.7 -66.1-126.4 165.9 -23.2 -15.5 -30.5 65 71 A P >> - 0 0 65 0, 0.0 3,-2.4 0, 0.0 4,-0.6 -0.217 45.2-119.0 -55.0 142.4 -23.6 -19.3 -30.0 66 72 A Q G >4 S+ 0 0 174 1,-0.3 3,-0.9 2,-0.2 -2,-0.0 0.816 113.3 63.6 -51.1 -33.9 -25.4 -20.2 -26.8 67 73 A K G 34 S+ 0 0 118 1,-0.2 -1,-0.3 2,-0.1 4,-0.0 0.653 98.6 54.7 -67.9 -17.2 -22.2 -22.1 -25.8 68 74 A D G X4 S+ 0 0 9 -3,-2.4 3,-1.9 1,-0.2 4,-0.3 0.589 79.8 88.5 -94.6 -11.7 -20.2 -18.9 -25.7 69 75 A L G X< S+ 0 0 58 -3,-0.9 3,-1.9 -4,-0.6 4,-0.3 0.851 78.6 65.0 -55.4 -37.4 -22.3 -16.8 -23.3 70 76 A P G > S+ 0 0 88 0, 0.0 3,-0.5 0, 0.0 -1,-0.3 0.695 91.5 66.9 -60.9 -15.5 -20.4 -18.2 -20.3 71 77 A K G X> S+ 0 0 3 -3,-1.9 3,-0.9 1,-0.2 4,-0.7 0.610 74.9 87.4 -80.5 -12.6 -17.3 -16.3 -21.6 72 78 A I H X> S+ 0 0 0 -3,-1.9 4,-1.2 -4,-0.3 3,-1.1 0.856 79.3 61.7 -55.6 -38.5 -18.8 -12.9 -21.0 73 79 A V H <> S+ 0 0 15 -3,-0.5 4,-2.1 -4,-0.3 3,-0.3 0.873 98.0 59.2 -57.3 -35.7 -17.6 -12.7 -17.4 74 80 A F H <> S+ 0 0 7 -3,-0.9 4,-2.7 -4,-0.3 5,-0.3 0.791 95.9 61.7 -64.6 -28.2 -14.1 -13.0 -18.8 75 81 A L H <>S+ 0 0 0 -4,-2.7 5,-3.0 1,-0.2 3,-0.6 0.907 107.8 52.4 -61.7 -40.7 -5.2 -1.7 -13.9 85 91 A K H ><5S+ 0 0 124 -4,-2.5 3,-1.8 3,-0.2 -1,-0.2 0.862 103.2 58.6 -63.2 -34.6 -2.1 -2.3 -16.0 86 92 A E H 3<5S+ 0 0 110 -4,-1.7 -1,-0.2 1,-0.3 -2,-0.2 0.803 109.1 44.5 -62.5 -30.2 -2.6 1.2 -17.5 87 93 A F T <<5S- 0 0 47 -4,-1.1 -1,-0.3 -3,-0.6 -2,-0.2 0.158 123.8-109.6 -97.6 15.9 -2.4 2.6 -14.0 88 94 A S T < 5S+ 0 0 112 -3,-1.8 2,-0.5 1,-0.2 -3,-0.2 0.819 73.8 137.9 62.3 34.7 0.6 0.3 -13.3 89 95 A I < - 0 0 7 -5,-3.0 2,-1.7 -8,-0.1 -1,-0.2 -0.942 55.1-131.6-112.4 129.4 -1.2 -2.0 -10.9 90 96 A D + 0 0 104 -2,-0.5 12,-0.5 -3,-0.1 2,-0.3 -0.542 33.0 178.6 -84.0 77.2 -0.6 -5.7 -11.3 91 97 A G - 0 0 1 -2,-1.7 2,-0.4 -10,-0.3 10,-0.2 -0.614 5.5-169.4 -81.4 137.7 -4.2 -7.2 -11.3 92 98 A R E -E 100 0A 85 8,-3.0 8,-3.2 -2,-0.3 2,-0.4 -0.973 22.5-113.0-129.0 142.9 -4.5 -10.9 -11.7 93 99 A I E -Ef 99 178A 0 84,-3.2 86,-2.7 -2,-0.4 2,-0.8 -0.600 13.8-158.5 -83.5 127.1 -7.6 -13.0 -12.4 94 100 A K E >> -E 98 0A 35 4,-3.0 4,-2.1 -2,-0.4 3,-0.7 -0.917 59.5 -68.5 -99.2 106.9 -9.0 -15.4 -9.8 95 101 A W T 34 S- 0 0 10 -2,-0.8 129,-0.2 1,-0.3 4,-0.0 -0.087 102.9 -13.1 -46.8 133.3 -11.1 -17.7 -12.0 96 102 A P T 34 S+ 0 0 2 0, 0.0 -1,-0.3 0, 0.0 -19,-0.2 -0.972 131.5 5.9-112.8 4.8 -13.4 -16.8 -13.2 97 103 A N T <4 S+ 0 0 21 -3,-0.7 12,-1.8 -20,-0.1 2,-0.3 0.368 96.2 84.7-129.8 3.2 -14.8 -13.4 -12.1 98 104 A D E < -EG 94 108A 39 -4,-2.1 -4,-3.0 10,-0.2 2,-0.4 -0.833 52.5-153.4-115.2 153.8 -12.4 -11.8 -9.6 99 105 A V E -EG 93 107A 0 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