==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=25-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE 08-DEC-09 3KZF . COMPND 2 MOLECULE: CARBAMATE KINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: GIARDIA LAMBLIA ATCC 50803; . AUTHOR A.GALKIN,O.HERZBERG . 1163 15 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 48746.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 820 70.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 128 11.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 6.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.1 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 . 79 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 109 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 365 31.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 29 2.5 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 2 6 0 2 6 1 2 1 0 0 0 0 3 1 0 0 0 0 3 1 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 11 3 3 5 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 13 6 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 ANTIPARALLEL BRIDGES PER LADDER . 6 1 4 0 0 1 3 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 2 A S 0 0 129 0, 0.0 159,-0.1 0, 0.0 44,-0.0 0.000 360.0 360.0 360.0 9.4 -2.6 14.7 11.9 2 3 A A + 0 0 106 42,-0.1 2,-0.2 2,-0.1 44,-0.1 0.367 360.0 118.9-100.8 -3.0 -6.0 15.5 10.4 3 4 A G - 0 0 17 41,-0.1 42,-0.1 42,-0.1 157,-0.1 -0.440 65.7-130.0 -72.5 127.6 -7.3 16.0 13.9 4 5 A K - 0 0 100 -2,-0.2 42,-2.9 1,-0.1 2,-0.4 -0.334 36.0-110.5 -60.7 157.1 -8.6 19.3 14.9 5 6 A T E -a 46 0A 22 40,-0.2 198,-1.6 196,-0.1 2,-0.4 -0.815 31.4-170.8-114.0 137.5 -7.1 20.4 18.2 6 7 A V E -a 47 0A 0 40,-3.2 42,-2.3 -2,-0.4 2,-0.7 -0.984 12.2-150.4-133.8 123.3 -8.8 20.6 21.5 7 8 A V E -ab 48 205A 0 197,-2.3 199,-2.4 -2,-0.4 2,-0.5 -0.856 18.1-171.1-106.0 109.8 -7.4 22.1 24.7 8 9 A I E -ab 49 206A 0 40,-1.9 42,-2.3 -2,-0.7 2,-0.7 -0.874 12.8-161.9-109.7 124.0 -8.9 20.5 27.8 9 10 A A E -ab 50 207A 0 197,-3.0 199,-0.6 -2,-0.5 42,-0.2 -0.846 22.7-141.7-108.6 97.0 -8.3 21.8 31.3 10 11 A L - 0 0 5 40,-1.0 199,-0.1 -2,-0.7 179,-0.0 -0.033 12.7-116.3 -61.2 153.2 -9.1 19.0 34.0 11 12 A G - 0 0 11 197,-0.4 41,-0.5 198,-0.2 198,-0.1 0.229 25.6-104.6 -72.2-169.0 -10.8 19.4 37.4 12 13 A G S >> S+ 0 0 40 1,-0.1 3,-1.3 2,-0.1 4,-0.9 0.725 120.7 58.0 -92.5 -30.3 -9.6 18.8 40.9 13 14 A N T 34 S+ 0 0 80 3,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.257 81.9 88.3 -81.6 12.5 -11.5 15.5 41.3 14 15 A A T 34 S+ 0 0 3 2,-0.1 19,-0.3 1,-0.1 -1,-0.2 0.609 113.0 14.8 -72.1 -20.4 -9.4 14.5 38.3 15 16 A M T <4 0 0 2 -3,-1.3 14,-0.4 15,-0.1 -2,-0.2 0.427 360.0 360.0-125.5 -12.1 -7.1 13.5 41.1 16 17 A L < 0 0 39 -4,-0.9 -3,-0.3 13,-0.2 3,-0.2 0.493 360.0 360.0-128.6 360.0 -9.6 13.6 44.0 17 ! 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 18 20 A K 0 0 244 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -21.7 -14.6 14.9 51.8 19 21 A E - 0 0 141 -3,-0.2 2,-0.3 2,-0.0 -3,-0.0 -0.019 360.0-153.8 -74.8 148.2 -11.7 12.8 50.4 20 22 A K - 0 0 131 35,-0.0 2,-0.1 0, 0.0 -4,-0.0 -0.925 16.0 -96.5-141.2 149.1 -7.9 13.0 50.7 21 23 A G + 0 0 11 -2,-0.3 -2,-0.0 1,-0.2 5,-0.0 -0.919 39.7 141.9 153.3 -9.4 -5.2 12.4 49.4 22 24 A D > - 0 0 65 -2,-0.1 4,-1.5 1,-0.1 -1,-0.2 -0.119 64.2 -97.3 -65.6 172.2 -2.4 9.7 49.7 23 25 A Y H > S+ 0 0 16 340,-0.3 4,-2.3 1,-0.2 5,-0.2 0.925 119.1 51.6 -69.9 -46.0 -0.8 8.6 46.5 24 26 A D H > S+ 0 0 89 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.906 107.7 57.3 -54.7 -39.0 -2.7 5.5 45.6 25 27 A T H > S+ 0 0 44 2,-0.2 4,-1.4 1,-0.2 -1,-0.2 0.907 109.9 40.8 -65.3 -45.9 -5.9 7.4 46.0 26 28 A Q H >X S+ 0 0 8 -4,-1.5 4,-1.8 2,-0.2 3,-1.0 0.993 106.5 62.8 -61.6 -59.9 -5.0 10.1 43.5 27 29 A R H 3X S+ 0 0 63 -4,-2.3 4,-3.1 1,-0.3 3,-0.3 0.785 105.4 48.6 -33.9 -52.4 -3.5 7.7 41.0 28 30 A K H 3X S+ 0 0 125 -4,-1.9 4,-1.8 1,-0.2 -1,-0.3 0.913 107.7 52.4 -56.7 -48.5 -6.9 6.0 40.6 29 31 A N H X S+ 0 0 4 -4,-1.8 4,-3.4 -3,-0.3 3,-1.0 0.939 105.8 59.6 -75.8 -52.5 -6.5 10.1 37.4 31 33 A E H 3X S+ 0 0 68 -4,-3.1 4,-1.8 1,-0.3 -2,-0.2 0.824 108.5 50.0 -37.1 -39.9 -6.6 6.6 35.9 32 34 A I H 3X S+ 0 0 94 -4,-1.8 4,-1.1 2,-0.2 -1,-0.3 0.793 110.5 44.7 -75.9 -39.5 -10.3 7.3 35.5 33 35 A A H X S+ 0 0 5 -4,-3.4 4,-3.4 2,-0.2 3,-0.5 0.950 101.8 50.1 -40.9 -66.8 -7.3 9.3 31.6 35 37 A S H 3X S+ 0 0 53 -4,-1.8 4,-1.1 1,-0.3 -1,-0.2 0.836 113.1 48.7 -49.7 -39.3 -9.7 6.7 30.2 36 38 A E H 3X S+ 0 0 50 -4,-1.1 4,-1.0 2,-0.2 3,-0.3 0.914 111.6 47.4 -61.4 -46.7 -12.2 9.5 29.5 37 39 A I H XX S+ 0 0 1 -4,-2.8 4,-1.3 -3,-0.5 3,-0.6 0.921 106.2 60.0 -68.6 -37.3 -9.5 11.7 27.8 38 40 A Y H 3X S+ 0 0 15 -4,-3.4 4,-1.7 1,-0.2 -1,-0.2 0.821 94.6 62.7 -56.0 -37.9 -8.4 8.7 25.7 39 41 A K H 3X S+ 0 0 106 -4,-1.1 4,-1.2 -3,-0.3 3,-0.4 0.937 103.4 49.5 -50.6 -50.2 -11.9 8.4 24.2 40 42 A I H <<>S+ 0 0 0 -4,-1.0 5,-1.2 -3,-0.6 4,-0.5 0.848 108.0 53.3 -59.3 -40.3 -11.4 11.8 22.7 41 43 A H H <5S+ 0 0 18 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.736 109.4 48.1 -70.9 -26.8 -8.0 10.9 21.2 42 44 A K H <5S+ 0 0 141 -4,-1.7 -1,-0.2 -3,-0.4 -2,-0.2 0.673 102.4 62.9 -80.7 -19.3 -9.4 7.8 19.5 43 45 A A T <5S- 0 0 62 -4,-1.2 -2,-0.2 -5,-0.2 -1,-0.2 0.722 124.2-108.5 -71.5 -17.6 -12.2 10.1 18.2 44 46 A G T 5S+ 0 0 43 -4,-0.5 -3,-0.2 1,-0.3 -42,-0.1 0.125 71.2 133.4 113.3 -21.1 -9.3 11.9 16.4 45 47 A Y < - 0 0 31 -5,-1.2 2,-0.5 -42,-0.1 -1,-0.3 -0.278 58.5-118.6 -64.8 152.4 -8.8 15.3 18.0 46 48 A K E -a 5 0A 26 -42,-2.9 -40,-3.2 -44,-0.1 2,-0.4 -0.809 39.9-142.4 -85.0 132.5 -5.3 16.4 18.9 47 49 A V E -a 6 0A 1 -2,-0.5 116,-1.9 -42,-0.2 2,-0.5 -0.861 25.4-173.3-113.1 130.4 -5.3 16.9 22.6 48 50 A V E -ac 7 163A 0 -42,-2.3 -40,-1.9 -2,-0.4 2,-0.5 -0.948 20.0-161.6-118.0 113.5 -3.7 19.5 25.0 49 51 A L E +ac 8 164A 2 114,-3.4 116,-1.7 -2,-0.5 -40,-0.2 -0.809 18.5 159.0-108.9 125.3 -4.2 18.5 28.6 50 52 A T E +a 9 0A 0 -42,-2.3 -40,-1.0 -2,-0.5 2,-0.3 -0.356 6.3 158.3-124.4-161.8 -3.8 20.9 31.6 51 53 A S - 0 0 0 115,-0.8 118,-0.4 -42,-0.2 2,-0.3 -0.979 31.8 -53.7 170.7-156.9 -5.2 20.9 35.2 52 54 A G - 0 0 13 -41,-0.5 4,-0.1 -2,-0.3 136,-0.1 -0.822 12.4-167.5-124.8 160.8 -4.7 22.1 38.8 53 55 A N >> + 0 0 8 -2,-0.3 4,-2.9 3,-0.1 3,-1.0 0.828 56.9 104.9-101.2 -55.2 -2.2 22.5 41.7 54 56 A G H 3> S+ 0 0 10 1,-0.3 4,-3.1 2,-0.2 5,-0.2 0.426 92.4 25.3 -2.2 -79.2 -4.2 23.4 44.8 55 57 A P H 3> S+ 0 0 52 0, 0.0 4,-2.1 0, 0.0 -1,-0.3 0.933 130.7 43.7 -65.0 -46.6 -4.3 20.3 46.9 56 58 A Q H <> S+ 0 0 5 -3,-1.0 4,-1.9 1,-0.2 -2,-0.2 0.975 122.9 36.2 -67.8 -50.7 -1.2 18.9 45.3 57 59 A V H X S+ 0 0 1 -4,-2.9 4,-2.0 1,-0.2 -3,-0.2 0.821 114.8 56.6 -70.5 -33.5 0.8 22.2 45.5 58 60 A G H X S+ 0 0 6 -4,-3.1 4,-1.3 -5,-0.4 -1,-0.2 0.932 112.6 41.7 -57.6 -44.7 -0.8 23.2 48.8 59 61 A A H X S+ 0 0 31 -4,-2.1 4,-1.7 2,-0.3 -2,-0.2 0.723 110.0 54.0 -83.3 -30.8 0.4 19.9 50.4 60 62 A I H X S+ 0 0 4 -4,-1.9 4,-1.1 -5,-0.2 -1,-0.2 0.911 111.9 49.9 -60.5 -42.4 3.8 19.9 48.8 61 63 A K H X S+ 0 0 34 -4,-2.0 4,-0.8 1,-0.2 -2,-0.3 0.836 104.2 56.5 -64.9 -37.8 4.0 23.3 50.4 62 64 A L H >X S+ 0 0 59 -4,-1.3 3,-1.9 1,-0.2 4,-0.7 0.962 103.9 54.4 -58.7 -47.1 2.9 22.1 53.8 63 65 A Q H >< S+ 0 0 9 -4,-1.7 3,-0.7 1,-0.3 -1,-0.2 0.801 101.4 57.6 -61.3 -32.5 5.8 19.6 53.8 64 66 A N H 3< S+ 0 0 2 -4,-1.1 -1,-0.3 1,-0.2 -2,-0.2 0.752 94.5 68.5 -69.5 -18.5 8.3 22.4 53.2 65 67 A Q H << S+ 0 0 109 -3,-1.9 2,-2.4 -4,-0.8 -1,-0.2 0.767 75.2 79.4 -79.4 -21.4 7.0 24.0 56.4 66 68 A A S X< S+ 0 0 50 -3,-0.7 2,-1.8 -4,-0.7 3,-1.1 -0.355 77.3 171.7 -62.5 57.7 8.5 21.2 58.4 67 69 A A T 3 + 0 0 45 -2,-2.4 6,-0.3 1,-0.2 -1,-0.1 -0.070 50.4 51.3 -76.1 35.1 11.4 23.5 57.6 68 70 A A T 3 + 0 0 78 -2,-1.8 2,-2.6 4,-0.1 -1,-0.2 0.614 54.5 116.9-148.2 -23.3 14.2 22.0 59.7 69 71 A G S < S- 0 0 36 -3,-1.1 287,-0.1 1,-0.3 -1,-0.0 -0.282 110.8 -78.0 -53.2 65.1 14.6 18.3 59.1 70 72 A V S S+ 0 0 102 -2,-2.6 -1,-0.3 1,-0.1 -3,-0.1 0.617 115.2 107.5 21.7 40.9 18.1 19.2 57.9 71 73 A S S S- 0 0 10 -5,-0.2 2,-0.3 281,-0.1 -2,-0.1 -0.994 70.9-123.2-140.8 136.7 16.3 20.1 54.9 72 74 A P - 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0 0 57 -6,-0.4 -1,-0.2 -55,-0.1 2,-0.2 -0.286 66.8 -98.1 -75.4 165.6 20.9 6.9 6.3 1153 292 D M E -q 1099 0N 45 -55,-0.7 -53,-1.6 -3,-0.1 2,-0.4 -0.594 28.8-152.9 -90.6 154.1 18.5 8.7 3.8 1154 293 D S E -qR11001174N 0 20,-1.3 20,-1.4 -2,-0.2 2,-0.4 -0.963 10.5-156.1-127.7 141.1 19.3 9.3 0.2 1155 294 D I E -qR11011173N 1 -55,-2.3 -53,-3.6 -2,-0.4 2,-0.4 -0.940 17.3-174.3-126.7 135.4 17.8 12.1 -1.9 1156 295 D I E +qR11021172N 0 16,-1.5 16,-2.4 -2,-0.4 -48,-0.4 -0.998 30.8 143.2-120.0 125.1 17.2 12.7 -5.6 1157 296 D T E -q 1103 0N 0 -55,-1.2 -53,-1.1 -2,-0.4 -50,-0.1 -0.963 55.3 -92.3-151.2 153.3 15.9 16.2 -6.3 1158 297 D S E -q 1104 0N 11 -2,-0.3 -53,-0.2 -55,-0.2 4,-0.2 -0.342 50.8-100.2 -60.7 157.4 16.4 18.7 -9.0 1159 298 D L S > S+ 0 0 20 -55,-2.4 3,-1.5 1,-0.2 4,-0.3 0.901 120.0 48.2 -47.5 -57.2 19.3 21.1 -8.3 1160 299 D S T > S+ 0 0 73 1,-0.3 3,-0.7 2,-0.1 4,-0.3 0.951 107.5 53.9 -44.8 -61.6 17.1 24.0 -7.2 1161 300 D T T 3> S+ 0 0 29 1,-0.2 4,-1.7 2,-0.1 -1,-0.3 0.280 82.5 102.8 -68.0 11.3 14.9 22.0 -4.8 1162 301 D A H <> S+ 0 0 1 -3,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.935 75.5 45.7 -64.2 -58.2 18.0 20.6 -2.9 1163 302 D V H <4 S+ 0 0 31 -3,-0.7 -1,-0.2 -4,-0.3 -2,-0.1 0.837 115.3 52.8 -54.3 -34.2 18.2 22.7 0.4 1164 303 D D H >>>S+ 0 0 74 -4,-0.3 3,-1.4 1,-0.2 4,-0.9 0.871 104.1 54.1 -69.2 -41.9 14.5 22.0 0.6 1165 304 D A H 3<5S+ 0 0 2 -4,-1.7 -2,-0.2 1,-0.3 -1,-0.2 0.794 104.6 55.4 -61.3 -31.7 15.1 18.3 0.2 1166 305 D L T 3<5S+ 0 0 11 -4,-1.7 -1,-0.3 1,-0.2 -2,-0.2 0.452 108.9 48.1 -84.9 -2.4 17.5 18.4 3.1 1167 306 D N T <45S- 0 0 88 -3,-1.4 -1,-0.2 -5,-0.2 -2,-0.2 0.542 118.5-108.6-104.3 -15.3 14.8 19.9 5.2 1168 307 D G T <5S+ 0 0 28 -4,-0.9 -3,-0.2 -3,-0.2 -2,-0.1 0.949 83.8 118.1 81.8 63.5 12.1 17.4 4.3 1169 308 D K S