==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HEME BINDING PROTEIN 30-SEP-11 3U22 . COMPND 2 MOLECULE: PUTATIVE HMUY_LIKE HEME BINDING PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACTEROIDES VULGATUS; . AUTHOR JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG) . 364 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18432.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 235 64.6 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 . 134 36.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 4 1.1 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 . 45 12.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 9 2.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 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 1 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 . 0 2 2 8 2 6 2 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 . 4 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 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 39 A E 0 0 220 0, 0.0 2,-0.3 0, 0.0 4,-0.1 0.000 360.0 360.0 360.0 -35.7 -1.9 63.0 -3.8 2 40 A L + 0 0 96 2,-0.1 2,-0.3 34,-0.0 16,-0.2 -0.929 360.0 27.3-130.5 153.0 -1.2 64.7 -0.4 3 41 A G E S+A 17 0A 8 14,-3.1 14,-2.6 -2,-0.3 2,-1.7 -0.794 119.6 2.9 101.0-142.7 1.8 66.7 0.9 4 42 A F E S+A 16 0A 33 30,-0.4 12,-0.2 -2,-0.3 3,-0.1 -0.667 75.9 163.9 -83.4 85.9 4.3 68.5 -1.3 5 43 A I E + 0 0 52 -2,-1.7 2,-0.4 10,-0.9 -1,-0.2 0.672 60.1 28.5 -84.3 -22.1 2.4 67.7 -4.5 6 44 A R E +A 15 0A 153 9,-1.4 9,-2.8 -3,-0.1 2,-0.4 -0.978 69.2 172.9-144.1 123.0 4.0 70.3 -6.9 7 45 A T E -A 14 0A 67 -2,-0.4 7,-0.3 7,-0.2 -3,-0.0 -0.991 21.6-165.2-136.7 144.6 7.5 71.6 -6.6 8 46 A D E >>> -A 13 0A 69 5,-3.2 5,-1.9 -2,-0.4 3,-1.1 -0.909 6.2-171.6-126.3 97.7 9.7 73.8 -8.8 9 47 A P T 345S+ 0 0 99 0, 0.0 3,-0.4 0, 0.0 -1,-0.1 0.764 82.1 65.6 -60.4 -30.6 13.4 73.5 -7.5 10 48 A S T 345S+ 0 0 96 1,-0.2 -2,-0.0 2,-0.1 0, 0.0 0.765 116.2 27.9 -64.7 -28.6 14.6 76.4 -9.8 11 49 A T T <45S- 0 0 40 -3,-1.1 -1,-0.2 2,-0.2 3,-0.1 0.329 103.7-123.5-110.4 2.9 12.4 78.8 -7.8 12 50 A H T <5S+ 0 0 95 -4,-0.6 166,-2.7 -3,-0.4 2,-0.3 0.836 73.7 122.6 54.7 36.5 12.4 77.0 -4.4 13 51 A S E < +AB 8 177A 17 -5,-1.9 -5,-3.2 164,-0.2 2,-0.3 -0.842 27.8 132.5-127.7 164.0 8.6 77.1 -4.6 14 52 A G E -AB 7 176A 11 162,-1.8 162,-2.3 -2,-0.3 2,-0.4 -0.965 43.3 -86.1-179.4-168.4 5.7 74.7 -4.6 15 53 A T E -AB 6 175A 19 -9,-2.8 -9,-1.4 -2,-0.3 -10,-0.9 -0.994 22.5-158.4-132.0 132.0 2.3 73.7 -3.4 16 54 A I E -AB 4 174A 0 158,-3.1 158,-3.0 -2,-0.4 2,-0.4 -0.906 7.4-169.5-106.3 134.6 1.3 71.7 -0.4 17 55 A Y E +AB 3 173A 47 -14,-2.6 -14,-3.1 -2,-0.4 2,-0.3 -0.979 14.9 175.0-128.5 115.9 -2.1 70.0 -0.3 18 56 A I E - B 0 172A 4 154,-2.5 154,-2.3 -2,-0.4 2,-1.0 -0.934 37.3-127.6-128.2 147.2 -3.2 68.5 3.0 19 57 A D E + B 0 171A 41 -2,-0.3 152,-0.2 152,-0.2 3,-0.2 -0.829 39.9 157.9 -88.8 97.8 -6.2 66.8 4.5 20 58 A A + 0 0 1 150,-2.4 38,-0.5 -2,-1.0 151,-0.2 0.020 36.2 112.6-107.4 24.5 -6.8 69.0 7.6 21 59 A T + 0 0 13 36,-0.1 2,-0.3 37,-0.1 -1,-0.1 0.869 52.8 86.9 -67.9 -36.1 -10.5 68.0 7.9 22 60 A D > - 0 0 17 -3,-0.2 3,-1.4 1,-0.1 36,-0.3 -0.477 67.0-149.0 -78.5 130.6 -10.1 66.0 11.2 23 61 A Y T 3 S+ 0 0 33 -2,-0.3 -1,-0.1 1,-0.3 80,-0.1 0.705 96.3 57.1 -69.2 -19.0 -10.4 67.9 14.4 24 62 A R T 3 S+ 0 0 54 16,-0.1 17,-3.1 17,-0.0 2,-0.4 0.544 93.5 96.1 -83.2 -7.3 -8.0 65.5 16.3 25 63 A R E < -G 40 0B 82 -3,-1.4 2,-0.4 15,-0.2 15,-0.2 -0.711 47.7-173.5-102.4 139.4 -5.2 66.1 13.8 26 64 A W E -G 39 0B 7 13,-2.0 13,-1.7 -2,-0.4 2,-0.6 -0.991 17.6-155.0-112.8 126.6 -2.2 68.4 13.6 27 65 A T E -GH 38 56B 3 29,-2.9 29,-2.2 -2,-0.4 2,-0.4 -0.937 9.7-151.0-105.7 116.9 -0.4 68.2 10.3 28 66 A F E -GH 37 55B 7 9,-3.5 9,-2.1 -2,-0.6 2,-0.5 -0.742 7.3-160.0 -92.3 129.9 3.3 69.1 10.6 29 67 A I E -GH 36 54B 0 25,-3.0 24,-2.8 -2,-0.4 25,-1.6 -0.956 6.6-168.7-115.4 126.2 5.0 70.7 7.6 30 68 A D E >> -G 35 0B 14 5,-2.6 4,-1.3 -2,-0.5 5,-1.3 -0.928 4.6-175.7-117.0 102.3 8.8 70.7 7.2 31 69 A F T 45S+ 0 0 4 -2,-0.6 -1,-0.1 1,-0.2 147,-0.1 0.753 81.0 62.5 -67.8 -25.7 9.9 73.0 4.4 32 70 A H T 45S+ 0 0 83 1,-0.2 -1,-0.2 3,-0.1 146,-0.0 0.853 120.9 20.3 -68.8 -39.7 13.5 72.0 4.8 33 71 A T T 45S- 0 0 85 -3,-0.3 -2,-0.2 2,-0.1 -1,-0.2 0.409 100.9-122.6-109.7 -3.8 12.9 68.3 3.9 34 72 A Q T <5 + 0 0 88 -4,-1.3 -30,-0.4 1,-0.2 2,-0.3 0.858 64.5 141.0 59.0 41.5 9.6 68.6 2.0 35 73 A K E < -G 30 0B 60 -5,-1.3 -5,-2.6 -32,-0.1 2,-0.4 -0.845 38.3-161.2-116.2 146.3 7.9 66.2 4.5 36 74 A V E -G 29 0B 42 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.985 10.0-176.5-125.3 136.0 4.4 66.2 6.0 37 75 A D E -G 28 0B 78 -9,-2.1 -9,-3.5 -2,-0.4 2,-0.3 -0.994 11.6-149.0-136.1 140.8 3.5 64.2 9.2 38 76 A S E -G 27 0B 51 -2,-0.3 2,-0.4 -11,-0.2 -11,-0.2 -0.795 7.4-166.2-107.3 149.2 0.1 63.9 11.0 39 77 A V E -G 26 0B 14 -13,-1.7 -13,-2.0 -2,-0.3 2,-0.7 -0.989 15.1-146.1-137.2 127.3 -0.5 63.4 14.7 40 78 A N E > -G 25 0B 38 -2,-0.4 3,-1.8 -15,-0.2 6,-0.3 -0.871 13.6-152.0 -89.5 113.5 -3.8 62.3 16.2 41 79 A V T 3 S+ 0 0 40 -17,-3.1 -1,-0.1 -2,-0.7 -16,-0.1 0.661 91.6 60.6 -66.2 -17.8 -3.8 64.2 19.5 42 80 A T T 3 S+ 0 0 90 -18,-0.2 2,-0.7 1,-0.1 -1,-0.3 0.500 92.2 75.6 -84.7 -7.0 -6.0 61.5 21.1 43 81 A D X - 0 0 63 -3,-1.8 3,-2.1 1,-0.1 -3,-0.2 -0.901 62.5-166.6-110.1 103.5 -3.4 58.7 20.5 44 82 A S T 3 S+ 0 0 128 -2,-0.7 -1,-0.1 1,-0.3 -3,-0.0 0.589 85.7 67.9 -67.2 -12.8 -0.5 59.1 23.0 45 83 A E T 3 S+ 0 0 94 2,-0.0 2,-0.5 0, 0.0 -1,-0.3 0.476 87.8 79.7 -79.1 -6.9 1.7 56.6 20.8 46 84 A Q < - 0 0 72 -3,-2.1 2,-0.3 -6,-0.3 -7,-0.1 -0.926 68.9-171.7-103.6 124.2 1.8 59.4 18.1 47 85 A K - 0 0 82 -2,-0.5 3,-0.1 1,-0.0 -2,-0.0 -0.840 31.2 -97.5-117.8 152.1 4.3 62.1 18.8 48 86 A E - 0 0 106 -2,-0.3 4,-0.1 1,-0.1 -10,-0.0 -0.372 53.4-102.4 -56.3 140.5 5.1 65.4 17.3 49 87 A P - 0 0 26 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 -0.296 24.1-116.5 -67.5 161.2 8.1 65.0 14.8 50 88 A E S S+ 0 0 178 1,-0.1 2,-0.4 -3,-0.1 -2,-0.1 0.835 99.3 34.4 -65.5 -34.5 11.6 66.2 15.9 51 89 A E + 0 0 108 -23,-0.0 2,-0.3 -21,-0.0 -1,-0.1 -0.969 69.5 137.7-127.5 141.0 11.7 68.8 13.2 52 90 A W - 0 0 12 -2,-0.4 -22,-0.2 12,-0.1 3,-0.1 -0.914 33.6-154.9-172.8 158.0 9.0 71.0 11.7 53 91 A D S S+ 0 0 14 -24,-2.8 11,-1.2 1,-0.4 2,-0.3 0.824 78.6 1.6-109.0 -51.2 8.3 74.5 10.5 54 92 A I E -HI 29 63B 0 -25,-1.6 -25,-3.0 9,-0.2 -1,-0.4 -0.932 60.2-151.8-136.1 161.5 4.5 75.1 10.7 55 93 A A E -HI 28 62B 0 7,-2.3 7,-2.0 -2,-0.3 2,-0.4 -0.994 8.2-154.6-135.6 138.1 1.6 72.9 11.9 56 94 A V E -HI 27 61B 0 -29,-2.2 -29,-2.9 -2,-0.3 2,-0.4 -0.949 13.1-179.4-120.9 134.9 -2.1 73.0 10.7 57 95 A H E > S- I 0 60B 3 3,-2.3 3,-2.7 -2,-0.4 2,-0.1 -0.959 72.9 -55.7-130.6 105.2 -5.3 71.9 12.5 58 96 A R T 3 S- 0 0 28 -38,-0.5 -36,-0.1 -2,-0.4 -37,-0.1 -0.410 123.1 -22.1 55.7-117.6 -8.3 72.5 10.3 59 97 A Y T 3 S+ 0 0 30 -2,-0.1 -1,-0.3 -3,-0.1 68,-0.1 0.509 120.6 99.4 -96.3 -4.1 -7.9 76.3 9.5 60 98 A D E < -I 57 0B 27 -3,-2.7 -3,-2.3 39,-0.1 2,-0.3 -0.461 52.6-169.3 -83.8 149.4 -5.7 77.0 12.6 61 99 A V E -I 56 0B 0 59,-0.3 59,-2.6 -5,-0.2 2,-0.3 -0.979 9.8-178.2-141.8 147.6 -1.9 77.2 12.4 62 100 A K E -I 55 0B 25 -7,-2.0 -7,-2.3 -2,-0.3 2,-0.2 -0.945 17.4-134.5-136.6 161.3 1.0 77.4 14.8 63 101 A T E -I 54 0B 4 -2,-0.3 2,-0.9 -9,-0.2 -9,-0.2 -0.623 24.2-111.4-110.6 170.3 4.8 77.7 14.4 64 102 A N S S- 0 0 30 -11,-1.2 86,-0.5 -2,-0.2 -12,-0.1 -0.689 93.0 -47.1-104.2 79.3 7.7 75.9 15.9 65 103 A A S S+ 0 0 83 -2,-0.9 -1,-0.1 1,-0.2 2,-0.1 0.907 113.6 133.6 54.8 42.0 9.1 78.8 18.0 66 104 A G - 0 0 6 -13,-0.1 27,-0.6 83,-0.1 2,-0.3 -0.410 49.8-135.2-108.5-174.0 8.7 80.9 14.9 67 105 A A E -CD 92 148A 9 81,-1.8 81,-3.1 25,-0.2 2,-0.4 -0.987 13.6-149.2-149.0 146.3 7.3 84.3 14.1 68 106 A V E -CD 91 147A 0 23,-2.1 23,-3.0 -2,-0.3 2,-0.4 -0.950 9.4-168.1-127.6 140.7 5.0 85.6 11.4 69 107 A L E - D 0 146A 10 77,-2.4 77,-3.0 -2,-0.4 2,-0.8 -0.998 20.2-141.8-123.0 123.2 4.4 88.8 9.4 70 108 A E E - D 0 145A 48 -2,-0.4 75,-0.2 75,-0.2 2,-0.0 -0.797 32.0-155.3 -76.1 111.0 1.3 89.2 7.3 71 109 A T - 0 0 9 73,-2.4 73,-0.1 -2,-0.8 17,-0.0 -0.275 23.8-114.3 -80.7 175.7 2.9 91.1 4.4 72 110 A G S S+ 0 0 68 71,-0.1 2,-0.2 -2,-0.0 -1,-0.1 0.520 82.3 109.8 -83.8 -8.4 1.1 93.5 2.0 73 111 A F - 0 0 54 71,-0.2 71,-2.1 1,-0.1 -2,-0.1 -0.482 44.8-174.9 -74.3 140.3 1.8 91.2 -1.0 74 112 A T S S+ 0 0 82 69,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.084 70.7 32.2-118.1 17.8 -1.1 89.2 -2.6 75 113 A G S > S- 0 0 23 1,-0.1 4,-1.2 69,-0.0 -1,-0.1 -0.972 71.6-123.8-165.3 157.3 1.0 87.2 -5.0 76 114 A F H > S+ 0 0 36 -2,-0.3 4,-2.9 2,-0.2 5,-0.2 0.796 101.8 66.1 -76.1 -28.5 4.5 85.7 -5.4 77 115 A S H > S+ 0 0 101 1,-0.2 4,-0.7 2,-0.2 -1,-0.2 0.922 107.7 41.0 -62.3 -41.4 5.5 87.4 -8.6 78 116 A A H >4 S+ 0 0 59 2,-0.2 3,-0.8 1,-0.2 4,-0.3 0.920 114.9 52.5 -69.5 -41.6 5.6 90.8 -6.9 79 117 A L H >< S+ 0 0 0 -4,-1.2 3,-1.9 1,-0.2 -2,-0.2 0.911 104.5 55.4 -59.9 -46.4 7.2 89.3 -3.7 80 118 A R H 3< S+ 0 0 146 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.741 108.6 50.1 -60.0 -24.2 10.0 87.7 -5.8 81 119 A N T << S+ 0 0 140 -3,-0.8 -1,-0.3 -4,-0.7 -2,-0.2 0.386 80.2 125.7 -93.8 -0.5 10.8 91.2 -7.2 82 120 A A < - 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