==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL BINDING PROTEIN 07-AUG-11 3TBO . COMPND 2 MOLECULE: ZINC FINGER, CDGSH-TYPE DOMAIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PYROBACULUM CALIDIFONTIS; . AUTHOR J.LIN,L.ZHANG,K.YE . 54 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4079.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 34 63.0 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 . 17 31.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 1.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 6 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 6 11.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 3.7 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 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 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 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 . 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 3 A V 0 0 81 0, 0.0 50,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 123.9 -10.0 -25.3 -0.7 2 4 A E E -AB 14 50A 78 12,-2.6 12,-3.2 48,-0.2 2,-0.4 -0.982 360.0-177.3-123.0 131.8 -6.6 -24.0 0.1 3 5 A I E +AB 13 49A 50 46,-2.6 45,-2.2 -2,-0.4 46,-2.0 -0.996 12.7 163.3-126.2 127.0 -5.7 -20.4 0.8 4 6 A R E -AB 12 47A 104 8,-2.1 8,-3.2 -2,-0.4 2,-0.5 -0.976 35.4-124.1-136.4 153.2 -2.1 -19.3 1.4 5 7 A A E -AB 11 46A 4 41,-3.0 41,-1.8 -2,-0.3 2,-0.3 -0.852 26.6-138.0 -91.9 129.4 -0.2 -16.0 1.4 6 8 A I > - 0 0 43 4,-3.0 3,-2.3 -2,-0.5 2,-0.1 -0.709 33.9 -95.0 -83.8 137.3 2.8 -16.0 -0.9 7 9 A E T 3 S- 0 0 135 -2,-0.3 38,-0.1 1,-0.3 -1,-0.1 -0.334 105.0 -10.7 -52.7 122.7 5.9 -14.3 0.5 8 10 A N T 3 S+ 0 0 46 35,-3.2 -1,-0.3 1,-0.2 33,-0.2 0.680 132.9 72.3 59.6 22.4 6.0 -10.7 -0.6 9 11 A G S < S- 0 0 3 -3,-2.3 -1,-0.2 34,-0.3 -3,-0.0 -0.567 84.5 -48.7-146.3-157.7 3.2 -11.5 -3.0 10 12 A P - 0 0 10 0, 0.0 -4,-3.0 0, 0.0 2,-0.4 -0.084 52.8 -92.4 -82.2 174.1 -0.5 -12.4 -3.4 11 13 A Y E -AC 5 20A 82 9,-2.8 9,-2.4 -6,-0.2 2,-0.6 -0.766 36.3-145.5 -76.3 134.6 -3.0 -14.8 -1.8 12 14 A E E -AC 4 19A 12 -8,-3.2 -8,-2.1 -2,-0.4 2,-0.6 -0.920 13.0-168.3-100.5 122.9 -3.2 -18.0 -3.6 13 15 A V E -AC 3 18A 24 5,-3.1 5,-2.3 -2,-0.6 2,-0.5 -0.960 5.2-172.0-113.7 114.8 -6.6 -19.5 -3.6 14 16 A K E A 2 0A 80 -12,-3.2 -12,-2.6 -2,-0.6 -2,-0.0 -0.934 360.0 360.0-109.0 121.7 -6.7 -23.1 -4.8 15 17 A I 0 0 167 -2,-0.5 -2,-0.0 -14,-0.2 -12,-0.0 -0.950 360.0 360.0-113.5 360.0 -10.0 -24.9 -5.4 16 ! 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 17 21 A A 0 0 70 0, 0.0 2,-0.3 0, 0.0 -3,-0.2 0.000 360.0 360.0 360.0 130.9 -5.8 -21.4 -8.7 18 22 A I E -C 13 0A 80 -5,-2.3 -5,-3.1 2,-0.0 2,-0.5 -0.946 360.0-139.6-127.1 156.6 -6.4 -17.6 -8.5 19 23 A Y E -C 12 0A 89 -2,-0.3 13,-2.3 -7,-0.2 2,-0.5 -0.965 13.8-160.4-123.0 116.3 -4.1 -14.9 -7.1 20 24 A L E -CD 11 31A 51 -9,-2.4 -9,-2.8 -2,-0.5 11,-0.3 -0.838 22.7-116.0-104.2 128.1 -5.5 -12.1 -5.1 21 25 A C + 0 0 27 9,-2.4 -12,-0.0 -2,-0.5 -1,-0.0 -0.317 34.7 168.3 -59.4 134.4 -3.7 -8.8 -4.6 22 26 A R + 0 0 56 -2,-0.1 -1,-0.1 19,-0.0 -13,-0.0 0.356 66.9 71.0-125.8 1.6 -2.7 -8.1 -1.0 23 27 A C S S- 0 0 23 18,-0.1 19,-0.1 -15,-0.0 -2,-0.1 0.671 96.6-126.8 -87.9 -22.8 -0.3 -5.1 -1.5 24 28 A G S S+ 0 0 42 6,-0.1 5,-0.1 0, 0.0 -3,-0.0 0.317 86.5 87.0 96.1 -3.2 -3.1 -2.7 -2.6 25 29 A H + 0 0 115 3,-0.0 7,-0.0 2,-0.0 4,-0.0 0.340 45.9 131.4-120.8 4.5 -1.5 -1.6 -5.9 26 30 A S > - 0 0 5 1,-0.1 3,-0.6 2,-0.1 6,-0.1 -0.273 52.7-141.1 -55.9 145.0 -2.5 -4.0 -8.6 27 31 A G T 3 S+ 0 0 71 1,-0.2 -1,-0.1 3,-0.0 5,-0.1 0.558 102.7 44.3 -77.9 -11.3 -3.8 -2.5 -11.8 28 32 A S T > S- 0 0 58 3,-0.5 3,-2.1 2,-0.0 -1,-0.2 -0.186 98.7-146.1-129.7 44.6 -6.4 -5.2 -12.0 29 33 A K T < S+ 0 0 129 -3,-0.6 3,-0.1 1,-0.4 -9,-0.1 -0.214 78.0 27.0 -53.0 140.6 -7.7 -5.5 -8.4 30 34 A P T 3 S+ 0 0 84 0, 0.0 -9,-2.4 0, 0.0 -1,-0.4 -0.985 115.4 70.6 -88.9 5.4 -8.7 -7.9 -7.0 31 35 A H B < S-D 20 0A 88 -3,-2.1 -3,-0.5 -11,-0.3 -11,-0.3 -0.617 85.6-114.5 -85.2 136.6 -6.4 -10.0 -9.1 32 36 A C + 0 0 34 -13,-2.3 -13,-0.1 -2,-0.3 -1,-0.1 -0.480 29.7 178.3 -62.9 134.9 -2.6 -9.8 -8.6 33 37 A D - 0 0 78 -2,-0.2 -1,-0.1 -13,-0.0 -2,-0.0 0.143 58.9 -95.0-120.6 16.9 -0.7 -8.4 -11.6 34 38 A G S >> S+ 0 0 29 3,-0.0 3,-1.3 1,-0.0 4,-0.6 0.449 87.7 126.9 87.3 -1.0 2.9 -8.5 -10.1 35 39 A T H >> + 0 0 29 1,-0.2 4,-2.1 2,-0.2 3,-0.9 0.815 57.6 77.4 -61.6 -28.2 2.9 -4.9 -8.9 36 40 A H H 3>>S+ 0 0 39 1,-0.3 5,-1.9 2,-0.2 4,-0.6 0.845 92.5 51.9 -45.8 -40.8 3.8 -6.1 -5.4 37 41 A A H <45S+ 0 0 77 -3,-1.3 -1,-0.3 1,-0.2 -2,-0.2 0.831 109.3 48.6 -69.8 -33.2 7.4 -6.6 -6.6 38 42 A K H <<5S+ 0 0 182 -3,-0.9 -1,-0.2 -4,-0.6 -2,-0.2 0.851 112.7 46.2 -75.9 -35.4 7.7 -3.1 -8.0 39 43 A V H <5S- 0 0 74 -4,-2.1 -1,-0.2 2,-0.0 -2,-0.2 0.498 111.2-119.2 -87.0 -5.8 6.4 -1.4 -4.9 40 44 A G T <5 - 0 0 44 -4,-0.6 -3,-0.2 -5,-0.3 -4,-0.1 0.785 41.7-175.6 78.1 26.5 8.6 -3.5 -2.6 41 45 A F < - 0 0 49 -5,-1.9 2,-0.4 -6,-0.2 -1,-0.2 -0.321 4.5-162.8 -54.4 134.3 5.7 -5.1 -0.6 42 46 A K + 0 0 156 -19,-0.1 -35,-0.1 -35,-0.0 -1,-0.0 -0.989 28.5 130.0-129.4 126.8 6.9 -7.3 2.2 43 47 A A - 0 0 20 -2,-0.4 -35,-3.2 -37,-0.0 -34,-0.3 -0.884 49.3-111.7-165.1 140.1 5.0 -9.9 4.1 44 48 A P - 0 0 96 0, 0.0 2,-0.1 0, 0.0 -35,-0.1 -0.264 36.2 -95.6 -72.4 162.6 5.9 -13.5 4.9 45 49 A G + 0 0 41 -38,-0.1 2,-0.3 -37,-0.0 -39,-0.2 -0.392 48.0 177.1 -64.5 151.9 4.3 -16.7 3.5 46 50 A A E -B 5 0A 50 -41,-1.8 -41,-3.0 -2,-0.1 2,-0.3 -0.924 33.2-126.5-159.4 136.8 1.5 -18.2 5.6 47 51 A K E +B 4 0A 202 -2,-0.3 -43,-0.2 -43,-0.2 3,-0.1 -0.689 33.6 169.5 -74.1 137.3 -0.9 -21.1 5.4 48 52 A I E + 0 0 91 -45,-2.2 2,-0.4 1,-0.4 -44,-0.2 0.709 56.8 1.6-119.2 -57.2 -4.4 -19.6 6.1 49 53 A V E +B 3 0A 56 -46,-2.0 -46,-2.6 2,-0.0 -1,-0.4 -1.000 41.4 176.7-137.7 143.0 -7.0 -22.3 5.3 50 54 A H E +B 2 0A 124 -2,-0.4 2,-0.5 -48,-0.2 -48,-0.2 -0.697 27.0 177.8-135.5 85.8 -7.0 -25.9 4.1 51 55 A H - 0 0 103 -50,-2.6 2,-0.6 -2,-0.2 3,-0.1 -0.803 22.3-170.1-102.9 121.3 -10.6 -26.9 4.1 52 56 A H > - 0 0 101 -2,-0.5 3,-1.8 3,-0.2 -2,-0.0 -0.956 19.7-146.9 -98.0 122.6 -12.1 -30.3 3.0 53 57 A H T 3 S+ 0 0 161 -2,-0.6 -1,-0.1 1,-0.3 -2,-0.0 0.785 95.6 58.0 -60.1 -29.1 -15.9 -29.8 2.9 54 58 A H T 3 0 0 165 1,-0.1 -1,-0.3 -3,-0.1 -3,-0.0 0.426 360.0 360.0 -82.6 -2.3 -16.4 -33.5 4.0 55 59 A H < 0 0 171 -3,-1.8 -3,-0.2 0, 0.0 -1,-0.1 -0.961 360.0 360.0-120.5 360.0 -14.4 -33.1 7.3