==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=9-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HEME-BINDING PROTEIN 29-APR-09 3H8T . COMPND 2 MOLECULE: HMUY; . SOURCE 2 ORGANISM_SCIENTIFIC: PORPHYROMONAS GINGIVALIS; . AUTHOR H.WOJTOWICZ,T.GUEVARA,C.TALLANT,M.OLCZAK,A.SROKA,J.POTEMPA,M . 364 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18744.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 222 61.0 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 . 138 37.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.6 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 . 30 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 2.7 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+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 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 . 2 2 4 4 2 2 2 2 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 6 0 2 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 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 35 A E 0 0 210 0, 0.0 2,-0.1 0, 0.0 178,-0.1 0.000 360.0 360.0 360.0-168.7 -20.3 19.0 47.3 2 36 A A - 0 0 28 176,-0.1 2,-0.4 1,-0.0 179,-0.1 -0.403 360.0-162.5 -71.6 134.4 -19.6 21.1 44.1 3 37 A V E -A 179 0A 84 176,-2.4 176,-2.4 -2,-0.1 2,-0.5 -0.937 7.5-145.9-113.5 139.1 -19.0 24.8 44.5 4 38 A T E +A 178 0A 83 -2,-0.4 2,-0.3 174,-0.2 174,-0.2 -0.927 26.2 163.9-107.1 129.8 -19.2 27.3 41.6 5 39 A K E -A 177 0A 90 172,-2.4 172,-2.9 -2,-0.5 2,-0.4 -0.961 31.5-132.2-136.9 155.3 -16.8 30.3 41.4 6 40 A T E -A 176 0A 96 -2,-0.3 2,-0.4 170,-0.2 170,-0.2 -0.885 24.3-167.3-103.5 145.7 -15.6 32.9 38.9 7 41 A V E -A 175 0A 20 168,-2.7 168,-2.2 -2,-0.4 2,-0.4 -0.992 9.5-165.6-133.4 134.5 -11.9 33.6 38.7 8 42 A T E +A 174 0A 82 -2,-0.4 2,-0.4 166,-0.2 166,-0.2 -0.996 12.8 178.0-122.3 130.2 -10.0 36.4 36.9 9 43 A I E -A 173 0A 9 164,-2.7 164,-3.0 -2,-0.4 2,-1.0 -0.993 30.1-129.1-132.4 132.9 -6.3 36.1 36.4 10 44 A D E +A 172 0A 71 -2,-0.4 162,-0.2 162,-0.2 3,-0.2 -0.694 37.0 160.6 -83.5 104.2 -3.9 38.5 34.6 11 45 A A + 0 0 2 160,-2.2 34,-2.5 -2,-1.0 161,-0.2 -0.136 32.9 121.1-111.6 33.7 -2.0 36.3 32.2 12 46 A S + 0 0 23 32,-0.1 2,-0.2 34,-0.0 -1,-0.2 0.739 44.9 97.0 -73.8 -22.4 -0.9 39.3 30.0 13 47 A K - 0 0 116 -3,-0.2 32,-0.3 1,-0.1 3,-0.1 -0.473 59.9-157.9 -69.8 133.9 2.8 38.6 30.4 14 48 A Y S S+ 0 0 43 -2,-0.2 -1,-0.1 1,-0.2 78,-0.1 0.773 84.3 59.9 -80.3 -27.0 4.4 36.7 27.5 15 49 A E S S+ 0 0 108 78,-0.1 2,-0.2 2,-0.0 -1,-0.2 0.714 107.6 31.8 -78.4 -20.9 7.4 35.3 29.4 16 50 A T - 0 0 55 -3,-0.1 2,-0.3 -5,-0.0 0, 0.0 -0.761 67.8-123.7-134.8 170.3 5.6 33.4 32.2 17 51 A W - 0 0 25 -2,-0.2 2,-0.5 27,-0.1 27,-0.2 -0.878 19.4-131.0-114.4 152.0 2.5 31.3 33.1 18 52 A Q E -F 43 0B 58 25,-3.2 25,-2.6 -2,-0.3 2,-0.4 -0.929 24.6-150.3-100.3 124.5 -0.0 31.9 35.9 19 53 A Y E -FG 42 28B 18 9,-0.5 9,-2.5 -2,-0.5 2,-0.4 -0.800 12.4-167.3-104.0 135.5 -0.6 28.7 37.9 20 54 A F E -FG 41 27B 3 21,-2.9 20,-3.1 -2,-0.4 21,-1.9 -0.941 14.1-148.5-128.2 142.3 -4.0 28.0 39.6 21 55 A S E >> - G 0 26B 2 5,-2.3 4,-2.0 -2,-0.4 5,-0.7 -0.942 4.1-157.5-109.0 124.3 -5.2 25.5 42.2 22 56 A F T 45S+ 0 0 2 -2,-0.5 -1,-0.1 2,-0.2 157,-0.1 0.909 95.7 45.3 -63.7 -44.5 -8.9 24.3 41.9 23 57 A S T 45S+ 0 0 82 1,-0.2 -1,-0.2 2,-0.1 156,-0.0 0.895 118.1 41.3 -70.3 -39.4 -9.0 23.3 45.6 24 58 A K T 45S- 0 0 101 2,-0.2 -1,-0.2 1,-0.0 -2,-0.2 0.805 94.3-142.8 -76.2 -28.6 -7.2 26.4 46.9 25 59 A G T <5 + 0 0 23 -4,-2.0 2,-0.3 1,-0.3 -3,-0.2 0.752 66.9 99.3 68.5 26.6 -9.2 28.7 44.6 26 60 A E E + 0 0 84 1,-0.1 3,-2.1 3,-0.0 -1,-0.2 -0.634 68.7 173.7-139.5 73.1 9.2 23.5 38.7 33 67 A Y G > S+ 0 0 53 1,-0.3 3,-0.8 -3,-0.2 24,-0.3 0.771 74.4 58.9 -61.5 -29.2 5.9 23.0 36.9 34 68 A K G 3 S+ 0 0 123 1,-0.3 23,-0.4 22,-0.2 -1,-0.3 0.593 115.7 36.2 -75.5 -9.2 6.8 19.6 35.4 35 69 A N G < S+ 0 0 88 -3,-2.1 2,-0.3 21,-0.1 -1,-0.3 -0.393 96.5 93.5-140.6 54.6 7.3 18.2 38.9 36 70 A D X - 0 0 37 -3,-0.8 3,-0.5 3,-0.1 22,-0.2 -0.895 43.9-171.0-155.2 114.9 4.7 19.8 41.1 37 71 A L T 3 S+ 0 0 94 -2,-0.3 114,-0.1 1,-0.2 115,-0.1 0.365 71.2 89.3 -89.2 7.0 1.3 18.5 41.9 38 72 A N T 3 S+ 0 0 61 113,-0.1 2,-0.3 -9,-0.1 -1,-0.2 0.503 79.5 64.8 -87.1 -4.8 0.1 21.7 43.6 39 73 A W < + 0 0 0 -3,-0.5 -18,-0.2 -6,-0.1 112,-0.2 -0.914 49.4 179.6-119.8 150.0 -1.3 23.3 40.4 40 74 A D S S+ 0 0 8 -20,-3.1 11,-0.8 1,-0.4 2,-0.3 0.674 70.9 16.3-115.5 -34.0 -4.2 22.2 38.2 41 75 A M E -FH 20 50B 0 -21,-1.9 -21,-2.9 9,-0.2 -1,-0.4 -0.994 61.6-163.0-147.9 139.2 -4.5 24.7 35.4 42 76 A A E -FH 19 49B 0 7,-2.7 7,-2.7 -2,-0.3 2,-0.4 -0.978 5.2-155.1-129.2 145.2 -2.1 27.4 34.1 43 77 A L E +FH 18 48B 2 -25,-2.6 -25,-3.2 -2,-0.4 2,-0.3 -0.927 15.7 171.5-123.0 141.2 -2.7 30.4 31.8 44 78 A H E > S- H 0 47B 2 3,-2.1 3,-3.3 -2,-0.4 -32,-0.1 -0.900 72.7 -52.6-146.1 114.3 -0.4 32.3 29.5 45 79 A R T 3 S- 0 0 40 -34,-2.5 -34,-0.1 -32,-0.3 -1,-0.1 -0.407 123.9 -24.5 48.3-119.9 -2.1 34.9 27.3 46 80 A Y T 3 S+ 0 0 31 -3,-0.1 -1,-0.3 -2,-0.1 2,-0.3 0.280 117.0 107.9-103.0 10.4 -4.9 32.7 25.7 47 81 A D E < -H 44 0B 11 -3,-3.3 -3,-2.1 62,-0.0 2,-0.4 -0.623 52.8-158.4 -85.9 146.8 -3.0 29.4 26.2 48 82 A V E -H 43 0B 1 62,-0.3 62,-3.2 -2,-0.3 2,-0.4 -0.990 6.0-169.0-128.8 135.8 -4.1 26.9 28.8 49 83 A R E -H 42 0B 1 -7,-2.7 -7,-2.7 -2,-0.4 2,-0.3 -0.953 3.1-160.0-125.6 143.2 -1.9 24.2 30.3 50 84 A L E -H 41 0B 0 -2,-0.4 2,-1.8 -9,-0.2 -9,-0.2 -0.800 34.6-100.8-122.5 164.7 -2.9 21.2 32.5 51 85 A N S S+ 0 0 0 -11,-0.8 9,-2.4 98,-0.3 2,-0.3 -0.567 92.4 63.0 -91.6 78.3 -0.9 19.0 34.9 52 86 A C S >> S+ 0 0 2 -2,-1.8 3,-2.3 7,-0.2 4,-0.6 -0.952 82.9 21.0-176.3 171.3 -0.4 16.0 32.6 53 87 A G G >4 S- 0 0 43 5,-0.3 3,-0.7 1,-0.3 32,-0.2 -0.153 127.7 -8.2 55.5-133.1 1.2 14.9 29.4 54 88 A E G 34 S+ 0 0 100 30,-2.2 54,-0.5 1,-0.2 -1,-0.3 0.511 137.6 56.6 -76.6 -5.2 4.0 17.2 28.1 55 89 A S G <4 S- 0 0 0 -3,-2.3 2,-0.3 1,-0.3 -1,-0.2 0.565 115.1 -22.6-104.6 -15.3 3.2 19.8 30.9 56 90 A G << - 0 0 12 -3,-0.7 -1,-0.3 -4,-0.6 -22,-0.2 -0.981 55.1-100.3 178.0 174.4 3.4 17.8 34.1 57 91 A K S S+ 0 0 125 -23,-0.4 -5,-0.1 -2,-0.3 -20,-0.1 0.375 80.6 106.9 -94.9 3.0 3.4 14.6 36.0 58 92 A G S S- 0 0 15 -22,-0.2 -5,-0.3 1,-0.1 94,-0.2 0.048 82.7-103.6 -76.2-173.7 -0.2 14.9 37.4 59 93 A K S S+ 0 0 146 92,-2.7 -7,-0.2 91,-0.1 92,-0.1 0.028 73.1 132.8 -98.4 23.9 -3.4 13.1 36.5 60 94 A G + 0 0 5 -9,-2.4 2,-0.2 91,-0.1 90,-0.2 -0.019 16.4 135.6 -74.0 175.5 -4.8 16.1 34.5 61 95 A G E -B 149 0A 0 88,-1.1 88,-2.5 22,-0.1 2,-0.3 -0.827 34.3-123.2 158.5 170.4 -6.5 16.3 31.1 62 96 A A E -BC 148 82A 0 20,-1.9 20,-2.6 -2,-0.2 2,-0.4 -0.980 13.3-172.4-140.0 147.7 -9.5 17.9 29.3 63 97 A V E -B 147 0A 22 84,-2.2 84,-2.7 -2,-0.3 2,-0.4 -0.995 28.2-123.7-138.5 136.6 -12.6 17.0 27.3 64 98 A F E -B 146 0A 80 -2,-0.4 82,-0.2 82,-0.2 49,-0.0 -0.671 17.5-148.7 -73.2 128.6 -15.0 19.2 25.5 65 99 A S - 0 0 30 80,-2.9 -1,-0.1 -2,-0.4 81,-0.1 0.613 32.6-119.2 -73.3 -16.9 -18.5 18.5 26.9 66 100 A G S S+ 0 0 53 79,-0.4 2,-0.3 1,-0.3 -1,-0.1 0.342 82.6 99.9 87.9 -5.8 -20.2 19.3 23.5 67 101 A K - 0 0 93 78,-0.4 78,-2.6 1,-0.1 -1,-0.3 -0.741 58.1-159.6-113.2 160.6 -22.1 22.1 25.3 68 102 A T S S+ 0 0 69 -2,-0.3 2,-0.4 76,-0.2 -1,-0.1 0.155 78.3 72.6-120.4 12.8 -21.8 25.9 25.5 69 103 A E S >> S- 0 0 110 1,-0.1 3,-1.6 76,-0.1 4,-0.9 -0.993 70.6-145.4-130.4 126.1 -23.9 26.3 28.7 70 104 A M G >4 S+ 0 0 29 -2,-0.4 3,-1.1 1,-0.3 -1,-0.1 0.901 100.4 54.2 -54.6 -45.4 -22.7 25.2 32.1 71 105 A D G 34 S+ 0 0 112 1,-0.3 -1,-0.3 3,-0.0 3,-0.1 0.597 104.8 55.3 -72.5 -8.0 -26.1 24.1 33.3 72 106 A Q G <4 S+ 0 0 95 -3,-1.6 2,-1.3 1,-0.1 3,-0.3 0.640 88.7 78.6 -93.8 -19.2 -26.6 21.8 30.2 73 107 A A << + 0 0 5 -3,-1.1 -1,-0.1 -4,-0.9 -7,-0.1 -0.706 55.1 142.5 -90.6 84.1 -23.3 19.8 30.8 74 108 A T + 0 0 108 -2,-1.3 2,-0.5 -3,-0.1 -1,-0.2 0.722 44.7 74.6-101.5 -29.2 -24.7 17.6 33.6 75 109 A T S S- 0 0 113 -3,-0.3 -1,-0.0 -10,-0.1 -3,-0.0 -0.800 73.7-141.0 -91.6 126.6 -23.0 14.2 32.9 76 110 A V - 0 0 11 -2,-0.5 -2,-0.0 1,-0.0 81,-0.0 -0.748 22.6-126.2 -88.6 117.9 -19.4 14.1 33.9 77 111 A P - 0 0 32 0, 0.0 3,-0.1 0, 0.0 -1,-0.0 -0.280 20.1-168.5 -62.4 146.6 -17.4 12.1 31.4 78 112 A T S S+ 0 0 88 1,-0.1 2,-0.3 3,-0.0 3,-0.2 0.554 74.9 41.3 -97.6 -19.9 -15.3 9.2 32.5 79 113 A D S S+ 0 0 125 1,-0.1 -1,-0.1 -16,-0.0 0, 0.0 -0.895 83.9 50.9-135.2 157.3 -13.6 9.0 29.1 80 114 A G + 0 0 54 1,-0.3 -16,-0.2 -2,-0.3 2,-0.2 0.542 62.3 152.5 97.0 12.0 -12.2 11.0 26.2 81 115 A Y - 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