==== 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 TRANSFERASE 22-JAN-07 2OMK . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES THETAIOTAOMICRON; . AUTHOR I.I.VORONTSOV,G.MINASOV,L.SHUVALOVA,J.ABDULLAH,F.R.COLLART, . 423 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19295.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 274 64.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 50 11.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 16.1 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 0.5 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 . 27 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 36 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 74 17.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 1.4 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 0 2 2 1 1 0 2 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 4 2 2 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 PARALLEL BRIDGES PER LADDER . 2 4 0 2 0 0 2 0 0 2 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 0 0 0 0 0 2 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 -14 A G 0 0 110 0, 0.0 159,-0.4 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 174.1 -18.4 27.8 7.5 2 -13 A V - 0 0 72 157,-0.1 2,-0.5 159,-0.1 159,-0.2 -0.525 360.0-133.6 -71.7 135.8 -16.8 24.6 8.8 3 -12 A D B -a 161 0A 31 157,-3.0 159,-2.5 -2,-0.2 -1,-0.0 -0.826 10.2-142.1 -89.7 127.4 -13.7 23.5 7.0 4 -11 A L > - 0 0 55 -2,-0.5 3,-1.8 157,-0.2 4,-0.3 0.541 27.6-165.7 -73.2 -2.7 -14.0 19.8 6.2 5 -10 A G G > - 0 0 0 1,-0.3 3,-0.6 2,-0.2 -1,-0.2 -0.267 66.5 -23.6 58.2-135.6 -10.3 19.2 7.0 6 -9 A T G >> S+ 0 0 0 156,-0.3 3,-2.2 1,-0.2 4,-1.2 0.613 123.1 88.6 -81.3 -10.2 -9.1 15.8 5.7 7 -8 A E G <4 S+ 0 0 7 -3,-1.8 8,-0.3 1,-0.3 -1,-0.2 0.726 86.2 49.8 -66.8 -21.8 -12.7 14.6 5.8 8 -7 A N G <4 S+ 0 0 19 -3,-0.6 13,-3.0 -4,-0.3 -1,-0.3 0.357 106.2 60.5 -91.6 5.5 -13.4 15.8 2.3 9 -6 A L T <4 S+ 0 0 3 -3,-2.2 -2,-0.2 -5,-0.2 -1,-0.1 0.793 83.9 88.6 -95.1 -35.1 -10.2 14.1 1.0 10 -5 A Y S < S- 0 0 40 -4,-1.2 3,-0.3 1,-0.1 11,-0.1 -0.242 77.0-129.9 -67.0 152.7 -10.9 10.4 1.9 11 -4 A F S S+ 0 0 129 1,-0.3 2,-0.5 9,-0.1 -1,-0.1 0.867 107.0 34.4 -64.9 -35.1 -12.7 8.1 -0.5 12 -3 A Q S S- 0 0 185 3,-0.0 -1,-0.3 2,-0.0 2,-0.1 -0.887 86.0-162.9-127.5 99.3 -15.0 7.2 2.4 13 -2 A S - 0 0 40 -2,-0.5 3,-0.4 -3,-0.3 -5,-0.1 -0.372 25.0-145.1 -79.2 152.8 -15.7 10.1 4.8 14 -1 A N S S+ 0 0 56 1,-0.2 -1,-0.1 -2,-0.1 149,-0.1 0.403 88.6 82.0 -86.8 0.9 -17.1 10.0 8.4 15 0 A A S S- 0 0 31 -8,-0.3 -1,-0.2 -11,-0.1 -7,-0.0 0.322 95.6-123.7 -98.5 6.0 -18.9 13.3 7.6 16 1 A M + 0 0 186 -3,-0.4 2,-0.3 1,-0.2 -2,-0.1 0.901 57.0 155.0 53.0 44.9 -22.1 12.1 5.8 17 2 A I - 0 0 60 2,-0.1 -1,-0.2 1,-0.1 -4,-0.1 -0.711 45.5-146.9-102.0 154.4 -21.2 14.3 2.8 18 3 A N S S+ 0 0 155 -2,-0.3 2,-0.2 2,-0.0 -1,-0.1 0.337 80.5 33.9-102.4 6.2 -22.4 13.7 -0.7 19 4 A E - 0 0 142 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.705 68.5-139.2-138.5-174.6 -19.3 15.1 -2.4 20 5 A H - 0 0 48 -2,-0.2 2,-0.4 -11,-0.0 -11,-0.2 -0.916 44.3 -61.4-145.9 177.6 -15.6 15.4 -1.9 21 6 A Y + 0 0 26 -13,-3.0 0, 0.0 -2,-0.3 0, 0.0 -0.445 52.0 161.7 -69.2 114.1 -12.8 18.0 -2.4 22 7 A I - 0 0 99 -2,-0.4 90,-0.1 24,-0.0 -1,-0.1 -0.819 20.5-162.9-131.9 92.2 -12.5 19.1 -6.1 23 8 A P - 0 0 19 0, 0.0 90,-0.2 0, 0.0 3,-0.1 -0.170 30.8-112.4 -68.5 169.7 -10.6 22.4 -6.3 24 9 A Q S S+ 0 0 84 88,-2.4 2,-0.3 1,-0.2 23,-0.2 0.823 95.2 3.8 -71.1 -31.7 -10.7 24.5 -9.4 25 10 A A E -b 113 0A 1 87,-1.0 89,-1.9 22,-0.1 2,-0.4 -0.989 63.3-138.5-152.9 156.1 -7.0 23.8 -10.1 26 11 A I E -bc 114 49A 2 22,-2.7 24,-2.8 -2,-0.3 2,-0.6 -0.965 10.3-152.5-118.1 132.6 -4.0 21.9 -8.8 27 12 A I E -bc 115 50A 0 87,-2.8 89,-2.9 -2,-0.4 2,-0.9 -0.933 5.5-155.3-100.0 122.4 -0.4 23.2 -8.5 28 13 A L E -bc 116 51A 1 22,-3.0 24,-2.8 -2,-0.6 89,-0.2 -0.861 21.2-161.9 -92.5 104.0 2.2 20.5 -8.8 29 14 A A - 0 0 3 87,-2.8 90,-0.1 -2,-0.9 89,-0.1 -0.203 28.7 -99.8 -81.4 177.4 5.2 22.1 -6.9 30 15 A N S S+ 0 0 91 88,-0.1 88,-0.2 21,-0.1 3,-0.1 -0.021 88.4 94.3 -99.5 30.7 8.9 21.0 -7.2 31 16 A G S S- 0 0 10 86,-2.8 2,-0.2 1,-0.2 89,-0.2 0.015 95.6 -35.2 -87.0-152.6 9.2 18.9 -4.0 32 17 A E S S- 0 0 85 87,-2.3 87,-0.3 1,-0.1 -1,-0.2 -0.515 71.8-105.0 -74.3 135.2 8.7 15.1 -4.1 33 18 A Y - 0 0 26 -2,-0.2 -1,-0.1 1,-0.1 -3,-0.0 -0.298 51.0 -88.6 -56.3 137.7 6.1 13.8 -6.5 34 19 A P + 0 0 7 0, 0.0 -1,-0.1 0, 0.0 113,-0.1 -0.200 48.5 171.5 -53.1 138.0 2.9 12.8 -4.6 35 20 A A + 0 0 73 -3,-0.1 2,-0.2 0, 0.0 -2,-0.1 0.542 49.3 87.8-120.2 -15.5 3.1 9.1 -3.5 36 21 A H S > S- 0 0 37 1,-0.1 4,-1.9 4,-0.0 5,-0.2 -0.571 81.9-119.0 -93.0 149.6 -0.0 8.9 -1.3 37 22 A E H > S+ 0 0 114 -2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.791 106.7 57.4 -57.4 -31.5 -3.5 8.0 -2.6 38 23 A L H > S+ 0 0 6 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.974 109.9 37.8 -75.9 -52.5 -5.0 11.3 -1.5 39 24 A P H > S+ 0 0 1 0, 0.0 4,-2.1 0, 0.0 -1,-0.2 0.880 117.4 55.2 -62.3 -31.4 -2.8 13.9 -3.3 40 25 A L H X S+ 0 0 60 -4,-1.9 4,-2.9 2,-0.2 -2,-0.2 0.873 103.1 55.3 -65.5 -36.3 -2.8 11.4 -6.2 41 26 A R H X S+ 0 0 31 -4,-2.0 4,-2.3 2,-0.2 -1,-0.2 0.928 108.3 48.2 -57.3 -48.0 -6.6 11.4 -6.2 42 27 A L H X S+ 0 0 5 -4,-1.8 4,-0.9 1,-0.2 -2,-0.2 0.910 113.4 47.0 -60.2 -44.5 -6.6 15.2 -6.5 43 28 A L H >< S+ 0 0 7 -4,-2.1 3,-0.6 1,-0.2 -2,-0.2 0.921 112.8 49.3 -62.9 -45.1 -4.0 15.1 -9.4 44 29 A A H 3< S+ 0 0 85 -4,-2.9 -2,-0.2 1,-0.2 -1,-0.2 0.862 115.3 43.5 -61.8 -39.4 -6.0 12.3 -11.2 45 30 A E H 3< S+ 0 0 69 -4,-2.3 -1,-0.2 -5,-0.2 -2,-0.2 0.540 88.6 117.7 -86.1 -10.0 -9.3 14.2 -10.9 46 31 A A << - 0 0 27 -4,-0.9 3,-0.2 -3,-0.6 -21,-0.1 -0.310 42.2-172.0 -66.8 137.6 -7.9 17.6 -11.9 47 32 A Q S S+ 0 0 180 1,-0.3 2,-0.3 -23,-0.2 -1,-0.1 0.355 82.7 41.6-106.0 0.3 -9.1 19.4 -15.0 48 33 A F + 0 0 35 2,-0.0 -22,-2.7 18,-0.0 2,-0.5 -0.825 68.7 179.2-148.1 110.7 -6.4 22.2 -14.6 49 34 A V E -c 26 0A 2 -2,-0.3 17,-2.4 15,-0.2 18,-1.6 -0.945 9.8-166.9-118.2 121.9 -2.8 21.3 -13.6 50 35 A V E -cd 27 67A 0 -24,-2.8 -22,-3.0 -2,-0.5 2,-0.4 -0.929 13.4-156.5-106.2 118.2 -0.1 23.9 -13.2 51 36 A C E cd 28 68A 0 16,-2.9 18,-3.2 -2,-0.6 -22,-0.2 -0.827 360.0 360.0 -99.5 134.8 3.4 22.4 -13.0 52 37 A C 0 0 8 -24,-2.8 3,-0.2 -2,-0.4 18,-0.2 -0.793 360.0 360.0 -89.8 360.0 6.3 24.2 -11.3 53 ! 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 54 40 A A > 0 0 21 0, 0.0 4,-1.3 0, 0.0 3,-0.3 0.000 360.0 360.0 360.0 -27.2 8.1 19.0 -11.6 55 41 A A H > + 0 0 1 -3,-0.2 4,-3.0 1,-0.2 5,-0.3 0.779 360.0 71.1 -64.0 -27.3 6.6 18.7 -15.1 56 42 A N H > S+ 0 0 43 2,-0.2 4,-2.5 1,-0.2 -1,-0.2 0.945 102.5 38.7 -56.7 -53.2 9.2 16.1 -16.0 57 43 A E H > S+ 0 0 75 -3,-0.3 4,-1.6 2,-0.2 6,-0.2 0.909 115.2 54.9 -65.6 -39.0 7.8 13.3 -13.8 58 44 A Y H <>S+ 0 0 16 -4,-1.3 5,-2.1 1,-0.2 3,-0.3 0.943 113.1 41.2 -57.1 -50.8 4.2 14.4 -14.7 59 45 A I H ><5S+ 0 0 5 -4,-3.0 3,-2.1 1,-0.2 -1,-0.2 0.899 110.7 56.9 -64.0 -43.5 4.9 14.1 -18.4 60 46 A S H 3<5S+ 0 0 73 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.764 102.2 56.5 -61.3 -27.8 6.9 10.9 -18.1 61 47 A R T 3<5S- 0 0 150 -4,-1.6 -1,-0.3 -3,-0.3 -2,-0.2 0.337 127.8-101.1 -86.3 5.0 3.9 9.2 -16.4 62 48 A G T < 5S+ 0 0 60 -3,-2.1 -3,-0.2 1,-0.3 2,-0.2 0.551 78.5 134.7 92.4 10.4 1.9 10.1 -19.4 63 49 A H < - 0 0 79 -5,-2.1 -1,-0.3 -6,-0.2 -2,-0.1 -0.551 49.2-132.5 -95.5 162.3 0.1 13.2 -18.1 64 50 A T - 0 0 89 -2,-0.2 -15,-0.2 0, 0.0 -5,-0.0 -0.931 14.1-143.0-120.4 108.2 -0.4 16.5 -19.8 65 51 A P - 0 0 5 0, 0.0 -15,-0.2 0, 0.0 3,-0.1 -0.359 1.7-155.6 -65.0 149.0 0.3 19.8 -18.0 66 52 A D S S+ 0 0 63 -17,-2.4 2,-0.3 1,-0.4 -16,-0.2 0.771 81.7 8.7 -89.5 -34.4 -2.0 22.7 -18.7 67 53 A V E -d 50 0A 5 -18,-1.6 -16,-2.9 2,-0.0 2,-0.5 -0.992 62.9-154.5-143.1 142.6 0.6 25.3 -17.7 68 54 A I E -de 51 87A 2 18,-2.8 20,-2.7 -2,-0.3 2,-0.4 -0.992 18.2-151.5-117.9 125.8 4.3 25.1 -16.9 69 55 A I E - e 0 88A 1 -18,-3.2 2,-0.2 -2,-0.5 20,-0.2 -0.782 49.9 -7.2 -98.8 136.3 5.7 27.8 -14.6 70 56 A G S S+ 0 0 3 18,-2.0 2,-0.4 -2,-0.4 -2,-0.1 -0.586 102.9 23.6 97.9-144.8 9.3 29.1 -14.7 71 57 A D > - 0 0 91 -2,-0.2 3,-1.3 1,-0.2 4,-0.1 -0.492 44.3-162.7 -76.5 118.0 12.4 27.9 -16.4 72 58 A G G > S+ 0 0 10 -2,-0.4 3,-1.7 1,-0.2 -1,-0.2 0.764 89.4 71.0 -63.0 -26.8 12.0 25.9 -19.6 73 59 A D G 3 S+ 0 0 117 1,-0.3 -1,-0.2 7,-0.1 -2,-0.1 0.664 85.4 67.1 -66.2 -16.8 15.7 24.8 -19.1 74 60 A S G < S+ 0 0 67 -3,-1.3 -1,-0.3 2,-0.1 2,-0.2 0.558 89.1 85.9 -79.9 -8.0 14.6 22.7 -16.2 75 61 A L S < S- 0 0 13 -3,-1.7 -3,-0.0 -4,-0.1 0, 0.0 -0.586 94.4 -97.8 -89.9 153.7 12.7 20.4 -18.5 76 62 A L >> - 0 0 92 -2,-0.2 4,-2.3 1,-0.1 3,-0.8 -0.501 44.2-112.8 -59.5 137.5 14.0 17.5 -20.5 77 63 A P H 3> S+ 0 0 110 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.856 116.7 49.2 -45.5 -48.0 14.8 18.8 -24.0 78 64 A E H 3> S+ 0 0 117 1,-0.2 4,-2.4 2,-0.2 5,-0.1 0.850 111.7 50.2 -62.3 -35.0 12.0 16.7 -25.7 79 65 A Y H <> S+ 0 0 36 -3,-0.8 4,-2.0 2,-0.2 -1,-0.2 0.890 108.1 51.5 -71.2 -41.0 9.5 17.9 -23.1 80 66 A K H X S+ 0 0 84 -4,-2.3 4,-0.6 2,-0.2 -2,-0.2 0.901 112.9 47.1 -58.3 -42.7 10.4 21.6 -23.6 81 67 A K H >< S+ 0 0 166 -4,-2.1 3,-0.6 -5,-0.2 -2,-0.2 0.912 112.7 48.4 -66.2 -44.5 9.9 21.0 -27.3 82 68 A R H 3< S+ 0 0 128 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.810 127.1 26.0 -62.7 -31.5 6.6 19.3 -26.7 83 69 A F H >< S+ 0 0 23 -4,-2.0 3,-1.9 1,-0.1 4,-0.3 0.123 76.6 123.5-126.0 22.5 5.3 22.0 -24.4 84 70 A S G X< S+ 0 0 77 -4,-0.6 3,-1.1 -3,-0.6 -1,-0.1 0.824 73.8 58.5 -56.5 -34.8 7.1 25.2 -25.3 85 71 A S G 3 S+ 0 0 107 1,-0.2 -1,-0.3 -4,-0.2 -2,-0.1 0.568 104.7 49.5 -77.5 -9.9 3.9 27.1 -25.9 86 72 A I G < S+ 0 0 39 -3,-1.9 -18,-2.8 -19,-0.0 2,-0.6 0.273 81.9 109.0-110.6 9.0 2.5 26.6 -22.3 87 73 A I E < -e 68 0A 38 -3,-1.1 2,-0.4 -4,-0.3 -18,-0.2 -0.787 51.2-170.7 -84.3 121.1 5.7 27.7 -20.5 88 74 A L E -e 69 0A 56 -20,-2.7 -18,-2.0 -2,-0.6 2,-0.9 -0.946 26.1-162.9-121.2 129.5 5.0 31.0 -18.8 89 75 A Q + 0 0 102 -2,-0.4 3,-0.1 -20,-0.2 -20,-0.1 -0.835 17.3 179.5 -99.6 89.4 7.4 33.4 -17.0 90 76 A I + 0 0 68 -2,-0.9 2,-0.3 1,-0.2 -1,-0.2 0.820 65.0 17.9 -66.6 -31.4 4.8 35.3 -15.1 91 77 A S - 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