==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER METAL TRANSPORT 20-JUN-08 2K4Y . COMPND 2 MOLECULE: FEOA-LIKE PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: CLOSTRIDIUM ACETOBUTYLICUM; . AUTHOR K.SINGARAPU,Y.WU,J.HUA,D.SUKUMARAN,L.ZHAO,M.JIANG,E.L.FOOTE, . 86 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6527.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 64 74.4 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 . 26 30.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 1.2 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 1.2 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 . 14 16.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.2 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 1 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 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 . 0 1 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 0 189 0, 0.0 2,-0.3 0, 0.0 74,-0.0 0.000 360.0 360.0 360.0 101.7 2.6 7.5 12.7 2 2 A T - 0 0 94 3,-0.0 2,-0.7 0, 0.0 17,-0.0 -0.860 360.0 -53.6-148.7-178.3 5.1 4.8 13.5 3 3 A K S S- 0 0 196 -2,-0.3 72,-0.1 1,-0.1 2,-0.1 -0.601 72.0-125.3 -65.0 111.1 8.2 3.1 12.0 4 4 A G - 0 0 31 -2,-0.7 2,-0.2 70,-0.1 72,-0.2 -0.315 24.9-162.1 -71.3 141.7 6.8 2.4 8.5 5 5 A I E -A 75 0A 62 70,-2.1 70,-3.2 1,-0.1 2,-0.2 -0.603 35.1 -83.1-106.8 174.8 6.8 -1.0 7.0 6 6 A G E > -A 74 0A 2 68,-0.2 3,-2.3 -2,-0.2 68,-0.2 -0.549 28.5-125.8 -80.8 147.7 6.4 -1.9 3.3 7 7 A L G > S+ 0 0 1 66,-2.0 3,-1.1 63,-1.3 64,-0.2 0.701 110.8 68.3 -62.6 -18.0 2.9 -2.1 1.9 8 8 A N G 3 S+ 0 0 41 62,-1.3 -1,-0.3 65,-0.3 63,-0.1 0.579 92.2 60.2 -75.4 -11.0 4.0 -5.6 0.7 9 9 A E G < S+ 0 0 123 -3,-2.3 -1,-0.2 61,-0.3 2,-0.2 0.260 89.8 91.5-101.8 9.5 4.0 -6.6 4.4 10 10 A V < - 0 0 21 -3,-1.1 2,-0.2 1,-0.0 6,-0.0 -0.664 66.2-137.4-103.2 160.3 0.3 -5.9 4.9 11 11 A E > - 0 0 141 -2,-0.2 3,-0.5 1,-0.2 33,-0.2 -0.471 38.1 -57.2-112.1-176.9 -2.6 -8.3 4.4 12 12 A I T 3 S+ 0 0 83 1,-0.2 -1,-0.2 -2,-0.2 33,-0.2 -0.175 110.2 10.5 -66.8 150.4 -6.0 -8.1 2.9 13 13 A K T 3 S+ 0 0 113 31,-1.2 2,-0.3 1,-0.2 -1,-0.2 0.869 92.8 130.3 51.9 49.0 -8.7 -5.6 3.8 14 14 A S < - 0 0 39 -3,-0.5 30,-2.2 30,-0.2 2,-0.5 -0.933 51.1-132.9-127.4 153.7 -6.5 -3.4 6.0 15 15 A K E +B 43 0A 87 -2,-0.3 63,-1.8 28,-0.2 64,-0.9 -0.926 28.5 166.3-112.4 129.2 -6.0 0.4 6.0 16 16 A V E -BC 42 77A 2 26,-2.1 26,-3.5 -2,-0.5 2,-0.4 -0.963 28.1-128.0-137.5 152.7 -2.5 2.0 6.0 17 17 A K E -BC 41 76A 55 59,-2.0 59,-2.1 -2,-0.3 2,-1.3 -0.840 25.6-115.8-105.9 140.8 -1.3 5.5 5.4 18 18 A V E + C 0 75A 0 22,-2.8 21,-1.8 -2,-0.4 57,-0.2 -0.614 36.5 172.1 -77.8 95.2 1.5 6.3 3.0 19 19 A I E - 0 0 47 55,-1.3 2,-0.3 -2,-1.3 -1,-0.2 0.966 61.6 -37.6 -63.5 -56.0 4.2 7.7 5.3 20 20 A G E - C 0 74A 21 54,-1.9 54,-2.4 -3,-0.2 2,-0.3 -0.923 51.7-115.9-160.2-177.2 6.8 7.9 2.5 21 21 A I E - C 0 73A 30 -2,-0.3 52,-0.2 52,-0.2 7,-0.0 -0.825 31.5-109.8-129.1 161.5 8.4 6.3 -0.6 22 22 A V > - 0 0 53 50,-1.4 3,-0.9 -2,-0.3 6,-0.2 -0.777 47.8-144.8 -98.4 90.6 11.8 4.9 -1.4 23 23 A P T 3 S+ 0 0 87 0, 0.0 4,-0.1 0, 0.0 -3,-0.0 0.045 71.4 25.8 -61.4 162.5 13.2 7.6 -3.7 24 24 A E T 3 S+ 0 0 199 1,-0.1 3,-0.0 2,-0.1 -2,-0.0 0.490 83.6 116.2 65.4 5.7 15.4 7.2 -6.7 25 25 A S S < S- 0 0 50 -3,-0.9 2,-2.0 1,-0.1 -1,-0.1 0.522 75.7-136.5 -77.2 -4.7 14.1 3.7 -7.1 26 26 A K S >> S+ 0 0 179 1,-0.2 3,-1.2 4,-0.0 4,-1.1 -0.221 102.3 72.4 71.2 -45.7 12.6 4.7 -10.4 27 27 A V H 3> S+ 0 0 45 -2,-2.0 4,-3.0 1,-0.3 5,-0.2 0.695 80.5 74.9 -66.7 -16.7 9.5 2.8 -9.4 28 28 A R H 3> S+ 0 0 105 -6,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.875 95.6 48.4 -57.9 -38.0 9.2 5.8 -7.0 29 29 A R H <> S+ 0 0 183 -3,-1.2 4,-3.1 2,-0.2 -2,-0.2 0.923 108.7 53.1 -64.8 -46.2 8.1 7.6 -10.2 30 30 A K H X S+ 0 0 79 -4,-1.1 4,-1.8 2,-0.2 -2,-0.2 0.921 110.6 46.5 -55.4 -48.7 5.7 4.7 -11.0 31 31 A I H X>S+ 0 0 3 -4,-3.0 5,-1.9 1,-0.2 4,-0.5 0.935 115.5 45.2 -59.9 -48.7 4.1 5.1 -7.6 32 32 A M H ><5S+ 0 0 85 -4,-2.1 3,-1.0 1,-0.2 -2,-0.2 0.875 110.6 54.7 -64.2 -38.2 3.8 8.9 -7.8 33 33 A D H 3<5S+ 0 0 120 -4,-3.1 -1,-0.2 1,-0.3 -2,-0.2 0.827 100.1 60.4 -65.9 -32.9 2.5 8.6 -11.4 34 34 A M H 3<5S- 0 0 60 -4,-1.8 -1,-0.3 -5,-0.2 -2,-0.2 0.677 125.9-103.4 -67.4 -17.7 -0.3 6.3 -10.2 35 35 A G T <<5S+ 0 0 24 -3,-1.0 2,-0.5 -4,-0.5 -3,-0.2 0.572 75.4 140.7 104.2 12.5 -1.4 9.1 -8.0 36 36 A I < + 0 0 1 -5,-1.9 -1,-0.3 22,-0.1 2,-0.3 -0.787 23.5 165.7 -91.5 126.7 -0.0 7.9 -4.7 37 37 A V > - 0 0 59 -2,-0.5 3,-2.2 -3,-0.1 2,-0.6 -0.826 47.9 -68.1-134.1 169.8 1.5 10.6 -2.5 38 38 A R T 3 S+ 0 0 212 -2,-0.3 -19,-0.2 1,-0.3 -18,-0.1 -0.479 123.3 26.1 -61.3 109.1 2.6 11.2 1.0 39 39 A G T 3 S+ 0 0 37 -21,-1.8 -1,-0.3 -2,-0.6 -20,-0.1 0.266 86.6 133.7 119.6 -9.8 -0.6 11.2 3.0 40 40 A T < - 0 0 23 -3,-2.2 -22,-2.8 -22,-0.2 2,-0.5 -0.394 53.5-125.1 -71.5 149.2 -2.7 9.0 0.9 41 41 A E E -B 17 0A 119 -24,-0.2 2,-0.5 -2,-0.1 18,-0.4 -0.838 19.0-151.8 -98.1 132.8 -4.7 6.2 2.4 42 42 A I E -B 16 0A 1 -26,-3.5 -26,-2.1 -2,-0.5 2,-0.6 -0.912 8.7-169.9-108.9 121.7 -4.3 2.7 1.1 43 43 A Y E -BD 15 57A 65 14,-1.3 14,-2.5 -2,-0.5 2,-0.5 -0.943 15.1-146.2-111.3 112.2 -7.1 0.1 1.3 44 44 A I E - D 0 56A 3 -30,-2.2 -31,-1.2 -2,-0.6 12,-0.2 -0.665 15.9-177.3 -75.6 121.2 -6.0 -3.4 0.5 45 45 A E E - 0 0 87 10,-3.0 2,-0.3 -2,-0.5 -1,-0.2 0.931 58.3 -56.5 -81.6 -53.2 -8.9 -5.1 -1.2 46 46 A G E - D 0 55A 15 9,-1.2 9,-3.5 -34,-0.2 -1,-0.4 -0.964 48.9-102.7-172.8 179.1 -7.3 -8.5 -1.6 47 47 A K E - D 0 54A 86 -2,-0.3 7,-0.2 7,-0.2 5,-0.1 -0.850 39.1 -98.1-118.4 157.0 -4.3 -10.3 -3.0 48 48 A A > - 0 0 30 5,-2.7 3,-2.6 -2,-0.3 -1,-0.1 -0.290 39.8-105.6 -65.3 157.4 -3.9 -12.5 -6.1 49 49 A P T 3 S+ 0 0 133 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.625 125.5 53.7 -59.2 -12.4 -4.1 -16.3 -5.7 50 50 A M T 3 S- 0 0 167 2,-0.2 -2,-0.1 3,-0.2 0, 0.0 0.409 119.8-111.5 -99.9 -2.4 -0.3 -16.2 -6.2 51 51 A G S < S+ 0 0 29 -3,-2.6 -3,-0.0 2,-0.2 0, 0.0 0.191 84.0 109.5 89.0 -16.1 0.2 -13.7 -3.4 52 52 A D + 0 0 64 -5,-0.1 -2,-0.2 14,-0.1 2,-0.2 -0.986 56.6 27.6-150.5 137.8 1.2 -11.2 -6.1 53 53 A P S S- 0 0 36 0, 0.0 -5,-2.7 0, 0.0 2,-0.3 0.547 76.6-140.2 -82.0-164.9 0.1 -8.8 -7.3 54 54 A I E -DE 47 65A 3 11,-3.0 11,-1.6 -7,-0.2 2,-0.6 -0.881 7.6-128.9-119.0 147.3 -2.2 -7.1 -4.8 55 55 A A E -DE 46 64A 33 -9,-3.5 -10,-3.0 -2,-0.3 -9,-1.2 -0.871 34.1-178.6 -97.9 119.5 -5.5 -5.3 -5.3 56 56 A L E -DE 44 63A 2 7,-3.1 7,-3.1 -2,-0.6 2,-0.4 -0.809 24.1-153.9-117.0 154.6 -5.6 -1.8 -3.8 57 57 A R E +DE 43 62A 126 -14,-2.5 -14,-1.3 -2,-0.3 2,-0.3 -0.907 39.3 138.6-128.3 105.1 -8.2 0.9 -3.5 58 58 A L E > + E 0 61A 4 3,-1.7 2,-3.0 -2,-0.4 3,-2.0 -0.921 54.7 19.1-142.6 160.3 -6.6 4.3 -3.2 59 59 A R T 3 S- 0 0 179 -18,-0.4 3,-0.1 -2,-0.3 -24,-0.0 -0.310 132.2 -51.3 75.2 -56.9 -7.0 7.9 -4.6 60 60 A G T 3 S+ 0 0 59 -2,-3.0 2,-0.3 1,-0.4 -1,-0.3 0.278 119.5 64.9 173.9 -1.0 -10.6 7.0 -5.4 61 61 A Y E < S-E 58 0A 104 -3,-2.0 -3,-1.7 2,-0.0 -1,-0.4 -0.941 73.8-110.9-142.5 155.1 -10.5 3.8 -7.4 62 62 A S E +E 57 0A 80 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.3 -0.720 44.9 149.7 -86.8 135.8 -9.6 0.2 -7.2 63 63 A L E -E 56 0A 55 -7,-3.1 -7,-3.1 -2,-0.4 2,-0.6 -0.978 41.9-110.6-160.4 158.4 -6.6 -1.1 -9.1 64 64 A S E -E 55 0A 52 -2,-0.3 2,-0.3 -9,-0.3 -9,-0.2 -0.844 29.9-179.5-102.8 123.8 -3.9 -3.8 -8.8 65 65 A L E -E 54 0A 11 -11,-1.6 -11,-3.0 -2,-0.6 2,-0.1 -0.818 29.7-107.6-112.6 158.0 -0.3 -3.0 -8.1 66 66 A R > - 0 0 121 -2,-0.3 4,-2.3 -13,-0.2 3,-0.5 -0.427 22.5-115.3 -86.5 159.3 2.5 -5.5 -7.8 67 67 A K H > S+ 0 0 87 1,-0.2 4,-1.2 2,-0.2 -59,-0.2 0.799 116.5 65.9 -58.9 -28.7 4.3 -6.5 -4.6 68 68 A S H 4 S+ 0 0 66 2,-0.2 4,-0.4 1,-0.2 3,-0.2 0.928 106.3 39.1 -59.2 -46.7 7.4 -4.9 -6.2 69 69 A E H >> S+ 0 0 11 -3,-0.5 3,-1.7 1,-0.2 4,-0.7 0.911 113.0 56.3 -68.4 -42.0 5.7 -1.5 -6.0 70 70 A A H 3< S+ 0 0 3 -4,-2.3 -62,-1.3 1,-0.3 -63,-1.3 0.711 100.2 61.0 -61.6 -21.6 4.3 -2.3 -2.6 71 71 A K T 3< S+ 0 0 133 -4,-1.2 -1,-0.3 -3,-0.2 -2,-0.2 0.689 103.3 49.3 -79.4 -18.4 7.8 -3.0 -1.5 72 72 A D T <4 S+ 0 0 13 -3,-1.7 -50,-1.4 -4,-0.4 2,-0.6 0.540 95.2 86.7 -97.2 -9.8 8.8 0.6 -2.2 73 73 A I E < - C 0 21A 3 -4,-0.7 -66,-2.0 -52,-0.2 2,-0.6 -0.828 65.2-155.4 -96.8 122.0 5.9 2.1 -0.4 74 74 A L E +AC 6 20A 65 -54,-2.4 -54,-1.9 -2,-0.6 -55,-1.3 -0.865 22.8 177.0 -99.3 118.6 6.4 2.7 3.4 75 75 A V E -AC 5 18A 1 -70,-3.2 -70,-2.1 -2,-0.6 2,-0.4 -0.806 25.8-133.9-124.3 159.1 3.1 2.7 5.3 76 76 A E E - C 0 17A 13 -59,-2.1 -59,-2.0 -2,-0.3 2,-0.5 -0.920 28.9-115.5-111.9 138.5 1.9 3.0 8.8 77 77 A V E + C 0 16A 86 -2,-0.4 -61,-0.2 -61,-0.2 3,-0.0 -0.603 34.4 172.7 -75.1 121.5 -0.8 0.7 10.3 78 78 A L + 0 0 78 -63,-1.8 2,-0.7 -2,-0.5 -1,-0.2 0.695 55.1 80.6 -99.4 -25.1 -3.9 2.8 11.1 79 79 A L + 0 0 98 -64,-0.9 2,-0.3 2,-0.0 -1,-0.1 -0.767 43.6 145.8 -96.3 113.9 -6.2 -0.1 12.0 80 80 A E + 0 0 192 -2,-0.7 -3,-0.0 2,-0.1 0, 0.0 -0.891 29.0 101.7-142.8 115.1 -6.0 -1.7 15.4 81 81 A H S S- 0 0 189 -2,-0.3 2,-0.1 0, 0.0 -2,-0.0 0.210 93.2 -43.1-149.2 -75.6 -9.2 -3.0 17.1 82 82 A H - 0 0 161 2,-0.0 -2,-0.1 0, 0.0 0, 0.0 -0.403 61.2-135.1-173.2 83.9 -9.8 -6.7 17.0 83 83 A H - 0 0 157 1,-0.1 2,-0.5 -4,-0.1 3,-0.0 -0.120 19.3-118.1 -54.4 134.1 -9.1 -8.3 13.6 84 84 A H - 0 0 165 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 -0.619 23.6-171.6 -71.8 121.1 -11.7 -10.8 12.3 85 85 A H 0 0 151 -2,-0.5 -1,-0.2 0, 0.0 -2,-0.1 0.520 360.0 360.0 -92.5 -7.9 -10.0 -14.2 12.0 86 86 A H 0 0 209 -3,-0.0 -2,-0.1 0, 0.0 -3,-0.0 0.206 360.0 360.0-136.4 360.0 -13.1 -15.5 10.2