==== 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 HEME-BINDING PROTEIN 18-JUL-11 3SZ6 . COMPND 2 MOLECULE: CONSERVED DOMAIN PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR C.B.POOR,A.W.MARESSO,F.MURPHY,C.HE . 232 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14305.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 172 74.1 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 . 111 47.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 2.6 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 . 4 1.7 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 . 37 15.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 18 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 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 . 4 0 1 4 7 2 0 1 1 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 4 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 31 A T 0 0 186 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -27.2 14.6 19.9 20.1 2 32 A K - 0 0 199 1,-0.1 2,-0.0 0, 0.0 38,-0.0 -0.641 360.0-121.9 -80.8 124.2 16.0 20.6 16.7 3 33 A L - 0 0 80 -2,-0.5 37,-0.2 37,-0.1 3,-0.1 -0.312 23.7-113.6 -67.7 143.6 18.3 17.8 15.4 4 34 A A - 0 0 70 1,-0.1 33,-0.2 35,-0.1 -1,-0.1 -0.368 45.1 -83.6 -71.6 155.4 21.9 18.6 14.5 5 35 A D S S+ 0 0 103 31,-0.1 2,-0.3 -2,-0.1 33,-0.2 -0.244 83.4 79.4 -59.9 147.2 23.0 18.3 10.9 6 36 A G E S-A 37 0A 32 31,-2.3 31,-2.9 -3,-0.1 2,-0.4 -0.839 77.3 -67.4 143.6 179.7 23.9 14.8 9.7 7 37 A K E +A 36 0A 161 -2,-0.3 2,-0.3 29,-0.2 29,-0.2 -0.891 48.9 169.2-109.1 138.0 22.4 11.5 8.5 8 38 A Y E -A 35 0A 85 27,-3.0 27,-2.7 -2,-0.4 2,-0.4 -0.840 33.4-118.1-134.1 170.0 20.4 9.2 10.7 9 39 A N E -A 34 0A 118 -2,-0.3 2,-0.4 25,-0.2 25,-0.2 -0.954 28.7-169.5-106.0 135.2 18.2 6.1 10.6 10 40 A I E -A 33 0A 30 23,-2.4 23,-2.5 -2,-0.4 2,-0.0 -0.976 15.3-136.6-128.3 122.5 14.7 6.5 11.8 11 41 A A + 0 0 71 -2,-0.4 2,-0.3 21,-0.3 20,-0.0 -0.350 30.3 174.1 -65.8 151.3 12.3 3.6 12.3 12 42 A F - 0 0 10 104,-0.1 2,-0.3 -2,-0.0 104,-0.2 -0.988 19.6-159.5-154.0 160.6 8.7 4.0 11.1 13 43 A T E -F 115 0B 67 102,-1.9 102,-2.8 -2,-0.3 2,-0.5 -0.927 21.2-123.6-134.3 162.7 5.5 2.1 10.7 14 44 A V E -F 114 0B 0 -2,-0.3 9,-2.9 100,-0.2 2,-0.3 -0.935 22.1-168.9-114.4 127.0 2.5 2.7 8.5 15 45 A W E -FG 113 22B 73 98,-2.8 98,-2.3 -2,-0.5 7,-0.2 -0.721 34.7 -93.6-103.2 160.0 -1.1 3.1 9.7 16 46 A K E -F 112 0B 69 5,-2.6 3,-0.4 3,-0.5 96,-0.3 -0.370 37.0-118.7 -63.8 152.3 -4.3 3.1 7.8 17 47 A G S S+ 0 0 26 94,-2.2 95,-0.2 1,-0.2 -1,-0.1 0.862 107.3 24.0 -63.2 -38.0 -5.5 6.5 6.8 18 48 A D S S+ 0 0 134 93,-0.3 2,-0.3 1,-0.1 -1,-0.2 0.219 119.5 55.6-118.0 12.6 -8.8 6.5 8.7 19 49 A K S S- 0 0 106 -3,-0.4 2,-2.4 2,-0.2 -3,-0.5 -0.997 78.6-120.6-147.5 141.2 -8.1 3.9 11.4 20 50 A D S S+ 0 0 122 -2,-0.3 2,-0.3 -5,-0.1 -3,-0.1 -0.419 79.4 106.9 -78.6 65.2 -5.6 3.5 14.1 21 51 A E S S- 0 0 99 -2,-2.4 -5,-2.6 -5,-0.2 -2,-0.2 -0.951 80.0 -85.1-139.5 158.2 -4.5 0.1 12.7 22 52 A S B -G 15 0B 85 -2,-0.3 -7,-0.3 -7,-0.2 2,-0.3 -0.399 45.1-131.0 -64.6 137.4 -1.5 -1.2 10.9 23 53 A S > - 0 0 7 -9,-2.9 3,-1.5 90,-0.2 -9,-0.2 -0.636 9.5-131.2 -90.6 148.3 -1.6 -0.7 7.1 24 54 A R G > S+ 0 0 168 1,-0.3 3,-1.0 -2,-0.3 4,-0.2 0.636 102.0 78.5 -69.0 -13.3 -0.9 -3.5 4.6 25 55 A M G >> + 0 0 3 1,-0.2 3,-1.4 2,-0.2 4,-0.9 0.591 69.0 86.3 -71.8 -10.1 1.3 -1.0 2.8 26 56 A N G X4 S+ 0 0 43 -3,-1.5 3,-0.8 1,-0.3 -1,-0.2 0.876 78.4 63.8 -56.1 -38.3 4.0 -1.8 5.5 27 57 A R G <4 S+ 0 0 140 -3,-1.0 -1,-0.3 1,-0.2 -2,-0.2 0.728 105.2 45.3 -60.7 -22.7 5.2 -4.7 3.4 28 58 A Y G <4 S+ 0 0 40 -3,-1.4 21,-3.2 -4,-0.2 2,-0.6 0.666 101.5 70.4 -96.4 -19.3 6.3 -2.3 0.6 29 59 A F B << S-B 48 0A 8 -4,-0.9 2,-0.5 -3,-0.8 19,-0.2 -0.891 76.4-140.1-109.7 115.3 8.0 0.4 2.6 30 60 A E - 0 0 58 17,-2.5 17,-0.4 -2,-0.6 -3,-0.1 -0.598 24.4-123.3 -83.4 118.2 11.3 -0.6 4.2 31 61 A S S S+ 0 0 56 -2,-0.5 -20,-0.1 -5,-0.1 2,-0.1 -0.808 82.8 51.8 -99.6 146.5 12.1 0.7 7.7 32 62 A P S S- 0 0 73 0, 0.0 -21,-0.3 0, 0.0 2,-0.1 0.473 75.5-157.8 -81.0 154.7 14.2 2.2 9.0 33 63 A A E -A 10 0A 0 -23,-2.5 -23,-2.4 -2,-0.1 2,-0.5 -0.383 23.7-105.6 -81.2 168.8 14.2 5.2 6.6 34 64 A T E -AC 9 45A 48 11,-3.8 11,-2.2 -25,-0.2 2,-0.6 -0.886 28.9-155.9 -97.4 128.3 17.2 7.5 6.2 35 65 A L E -AC 8 44A 2 -27,-2.7 -27,-3.0 -2,-0.5 2,-0.6 -0.923 6.8-168.2-105.4 119.8 16.9 10.9 7.9 36 66 A T E -AC 7 43A 28 7,-3.0 7,-2.5 -2,-0.6 2,-0.7 -0.926 0.7-167.6-110.2 112.5 19.0 13.7 6.4 37 67 A V E +AC 6 42A 6 -31,-2.9 -31,-2.3 -2,-0.6 2,-0.4 -0.885 19.3 160.2-101.9 116.1 19.2 16.8 8.4 38 68 A K E > - C 0 41A 113 3,-2.2 3,-1.4 -2,-0.7 -2,-0.1 -0.965 65.4 -15.8-144.0 120.1 20.7 19.7 6.5 39 69 A N T 3 S- 0 0 141 -2,-0.4 2,-0.1 1,-0.3 3,-0.1 0.877 126.1 -54.0 54.1 41.9 20.5 23.4 7.1 40 70 A G T 3 S+ 0 0 63 1,-0.3 -1,-0.3 -37,-0.2 -37,-0.1 -0.056 114.2 113.6 89.6 -33.6 17.5 22.9 9.5 41 71 A K E < -C 38 0A 104 -3,-1.4 -3,-2.2 -2,-0.1 2,-0.5 -0.393 57.6-141.3 -76.6 149.8 15.5 21.0 7.0 42 72 A Q E -C 37 0A 28 -5,-0.2 44,-2.4 44,-0.2 2,-0.5 -0.948 14.7-170.5-117.1 121.2 14.6 17.3 7.4 43 73 A Y E -CD 36 85A 57 -7,-2.5 -7,-3.0 -2,-0.5 2,-0.4 -0.942 4.3-161.6-115.8 122.6 14.6 14.9 4.5 44 74 A V E +CD 35 84A 0 40,-3.0 40,-2.2 -2,-0.5 2,-0.3 -0.852 13.7 172.0-103.9 134.1 13.2 11.4 4.8 45 75 A S E +CD 34 83A 18 -11,-2.2 -11,-3.8 -2,-0.4 2,-0.3 -0.997 2.2 160.7-139.7 146.2 14.1 8.6 2.3 46 76 A F E - D 0 82A 8 36,-1.6 36,-2.4 -2,-0.3 2,-0.3 -0.987 38.8 -93.4-158.3 162.9 13.4 4.9 2.1 47 77 A K E - D 0 81A 73 -17,-0.4 -17,-2.5 -2,-0.3 2,-0.5 -0.599 28.9-149.5 -85.6 139.0 13.3 1.9 -0.2 48 78 A V E -BD 29 80A 0 32,-3.2 32,-1.3 -2,-0.3 3,-0.4 -0.939 12.3-144.6-108.7 123.9 10.0 0.8 -1.8 49 79 A K S S+ 0 0 101 -21,-3.2 30,-0.2 -2,-0.5 5,-0.1 -0.464 80.1 21.4 -82.5 159.2 9.6 -2.9 -2.6 50 80 A D S >> S+ 0 0 57 28,-0.5 3,-1.4 27,-0.4 4,-1.1 0.928 77.3 179.9 49.8 51.5 7.7 -4.2 -5.6 51 81 A S G >4 + 0 0 15 27,-2.4 3,-0.6 -3,-0.4 28,-0.1 0.836 69.6 59.6 -54.7 -43.8 8.3 -0.8 -7.3 52 82 A T G 34 S+ 0 0 87 1,-0.3 -1,-0.3 26,-0.1 3,-0.1 0.781 106.8 49.4 -59.9 -26.3 6.5 -1.5 -10.6 53 83 A S G <4 S+ 0 0 12 -3,-1.4 47,-3.0 1,-0.2 2,-1.7 0.755 95.4 73.0 -84.0 -26.6 3.3 -2.2 -8.6 54 84 A I E << +H 99 0B 1 -4,-1.1 45,-0.2 -3,-0.6 -1,-0.2 -0.566 61.7 169.4 -87.5 73.9 3.5 1.0 -6.6 55 85 A K E + 0 0 89 -2,-1.7 2,-0.4 43,-0.5 -1,-0.2 0.828 64.9 19.0 -57.8 -35.9 2.5 3.2 -9.5 56 86 A S E +H 98 0B 6 42,-1.6 42,-2.2 -3,-0.2 2,-0.4 -0.998 55.8 178.2-142.6 137.0 2.1 6.3 -7.3 57 87 A F E +H 97 0B 0 -2,-0.4 11,-2.6 40,-0.2 2,-0.3 -0.925 16.6 172.6-137.3 113.0 3.2 7.3 -3.8 58 88 A Q E -HI 96 67B 7 38,-2.9 38,-2.6 -2,-0.4 2,-0.3 -0.886 16.6-157.4-120.2 149.9 2.3 10.8 -2.6 59 89 A V E -HI 95 66B 12 7,-2.3 7,-2.6 -2,-0.3 2,-0.4 -0.938 34.9 -98.2-122.7 151.0 2.6 12.6 0.8 60 90 A E E + I 0 65B 62 34,-2.7 2,-0.5 -2,-0.3 5,-0.3 -0.532 41.3 176.9 -75.5 120.9 0.5 15.5 1.9 61 91 A K S S- 0 0 108 3,-3.8 -1,-0.0 -2,-0.4 -2,-0.0 -0.963 70.7 -15.2-126.4 112.5 2.2 18.9 1.5 62 92 A D S S- 0 0 102 -2,-0.5 -1,-0.2 1,-0.2 3,-0.1 0.977 131.1 -46.2 58.7 59.7 0.3 22.0 2.4 63 93 A G S S+ 0 0 66 -3,-0.1 2,-0.3 1,-0.1 -1,-0.2 0.738 126.3 89.6 58.7 26.1 -3.1 20.3 2.6 64 94 A Q S S- 0 0 49 -5,-0.1 -3,-3.8 2,-0.0 2,-0.3 -0.965 77.9-116.0-155.2 136.1 -2.5 18.5 -0.7 65 95 A F E -I 60 0B 58 -2,-0.3 2,-0.4 -5,-0.3 122,-0.3 -0.544 34.1-173.9 -74.6 128.5 -1.0 15.2 -1.8 66 96 A V E -I 59 0B 15 -7,-2.6 -7,-2.3 -2,-0.3 122,-0.2 -0.976 30.8-103.2-126.5 138.3 2.1 15.5 -3.9 67 97 A E E -I 58 0B 38 120,-3.3 -9,-0.3 -2,-0.4 -11,-0.0 -0.302 41.6-119.7 -56.7 134.0 4.1 12.8 -5.6 68 98 A T - 0 0 11 -11,-2.6 2,-0.3 1,-0.1 16,-0.2 -0.292 28.9-100.8 -72.0 161.6 7.3 11.9 -3.8 69 99 A T E -E 83 0A 79 14,-2.2 14,-2.1 -2,-0.0 2,-0.7 -0.658 26.0-137.8 -85.8 137.7 10.8 12.3 -5.4 70 100 A V E +E 82 0A 59 -2,-0.3 12,-0.2 12,-0.2 3,-0.1 -0.871 20.4 179.7 -98.3 115.5 12.5 9.3 -6.8 71 101 A L E - 0 0 97 10,-2.6 2,-0.3 -2,-0.7 -1,-0.2 0.817 65.9 -13.8 -83.6 -34.1 16.3 9.3 -5.9 72 102 A S E -E 81 0A 65 9,-0.9 9,-2.4 2,-0.0 2,-0.4 -0.986 56.0-142.0-163.9 160.5 17.2 6.0 -7.6 73 103 A E E -E 80 0A 123 -2,-0.3 2,-0.5 7,-0.2 7,-0.2 -0.989 1.4-163.2-132.8 141.6 15.8 2.8 -9.2 74 104 A N E >> -E 79 0A 72 5,-2.9 5,-2.0 -2,-0.4 4,-0.8 -0.871 6.9-179.5-123.8 96.9 16.9 -0.8 -9.1 75 105 A K T 45S+ 0 0 177 -2,-0.5 -1,-0.1 1,-0.2 -23,-0.1 0.739 77.0 66.1 -68.7 -22.9 15.2 -2.8 -11.9 76 106 A K T 45S+ 0 0 204 1,-0.2 -1,-0.2 3,-0.1 -2,-0.0 0.922 117.7 22.0 -66.1 -45.2 17.0 -6.0 -10.9 77 107 A D T 45S- 0 0 75 -3,-0.4 -27,-0.4 2,-0.1 -1,-0.2 0.331 108.5-118.0-104.5 6.0 15.2 -6.3 -7.6 78 108 A N T <5 + 0 0 40 -4,-0.8 -27,-2.4 1,-0.2 -28,-0.5 0.951 69.5 126.7 57.2 54.8 12.3 -4.1 -8.5 79 109 A T E < - E 0 74A 14 -5,-2.0 -5,-2.9 -29,-0.2 2,-0.3 -0.890 36.3-170.6-132.3 164.6 12.8 -1.4 -5.9 80 110 A R E -DE 48 73A 14 -32,-1.3 -32,-3.2 -2,-0.3 2,-0.5 -0.982 23.1-122.3-150.5 157.5 13.2 2.4 -5.8 81 111 A V E -DE 47 72A 34 -9,-2.4 -10,-2.6 -2,-0.3 -9,-0.9 -0.906 27.8-166.2-104.6 124.2 14.2 5.0 -3.3 82 112 A V E -DE 46 70A 0 -36,-2.4 -36,-1.6 -2,-0.5 2,-0.3 -0.747 2.8-166.3-107.0 157.4 11.7 7.7 -2.5 83 113 A E E +DE 45 69A 34 -14,-2.1 -14,-2.2 -2,-0.3 2,-0.3 -0.994 13.5 159.1-145.1 147.4 12.3 11.0 -0.7 84 114 A F E -D 44 0A 10 -40,-2.2 -40,-3.0 -2,-0.3 2,-0.3 -0.974 37.7-106.0-161.2 156.8 10.3 13.8 0.9 85 115 A E E -D 43 0A 87 -2,-0.3 2,-0.5 -42,-0.2 -42,-0.2 -0.690 25.7-163.2 -89.3 140.4 10.7 16.6 3.4 86 116 A V - 0 0 7 -44,-2.4 3,-0.2 -2,-0.3 -44,-0.2 -0.963 8.8-171.8-126.5 114.1 9.1 16.3 6.9 87 117 A A S S+ 0 0 97 -2,-0.5 2,-0.5 1,-0.2 -1,-0.1 0.885 81.3 28.9 -70.3 -40.3 8.8 19.5 8.9 88 118 A D > - 0 0 66 1,-0.1 3,-1.5 3,-0.1 -1,-0.2 -0.888 57.8-174.2-131.2 103.0 7.6 17.7 12.1 89 119 A L T 3 S+ 0 0 33 -2,-0.5 27,-0.4 1,-0.3 -1,-0.1 0.631 84.7 66.5 -69.4 -13.6 8.7 14.1 12.9 90 120 A S T 3 S+ 0 0 104 25,-0.1 2,-0.3 2,-0.1 -1,-0.3 0.579 92.9 76.0 -84.1 -9.3 6.5 14.0 15.9 91 121 A K S < S- 0 0 140 -3,-1.5 2,-0.4 24,-0.0 25,-0.3 -0.725 88.8-110.3-101.2 152.2 3.4 14.2 13.7 92 122 A K - 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