==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIPID BINDING PROTEIN 07-APR-10 3MH9 . COMPND 2 MOLECULE: LIPOPROTEIN LPRG; . SOURCE 2 ORGANISM_SCIENTIFIC: MYCOBACTERIUM TUBERCULOSIS; . AUTHOR H.-C.TSAI,J.C.SACCHETTINI,TB STRUCTURAL GENOMICS CONSORTIUM . 410 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 20923.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 286 69.8 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 . 172 42.0 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 . 4 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 10 2.4 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 . 28 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 40 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 48 11.7 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 0 0 2 2 0 0 0 0 0 1 1 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 0 0 2 4 2 4 4 2 2 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 0 0 0 0 0 2 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 34 C S 0 0 107 0, 0.0 2,-0.4 0, 0.0 124,-0.0 0.000 360.0 360.0 360.0 107.8 21.1 10.4 46.8 2 35 C G - 0 0 83 122,-0.0 3,-0.1 3,-0.0 122,-0.0 -0.812 360.0 -14.5 91.7-133.4 19.2 10.6 50.1 3 36 C G S S- 0 0 49 -2,-0.4 369,-0.1 1,-0.2 0, 0.0 -0.065 98.3 -45.9 -90.4-165.2 19.7 7.6 52.4 4 37 C P - 0 0 74 0, 0.0 368,-0.2 0, 0.0 -1,-0.2 -0.192 62.7-107.1 -60.0 154.0 21.0 4.1 51.7 5 38 C L - 0 0 54 116,-0.1 2,-0.1 -3,-0.1 3,-0.1 -0.575 31.8-118.7 -80.5 147.1 19.9 2.2 48.6 6 39 C P - 0 0 8 0, 0.0 115,-0.1 0, 0.0 367,-0.1 -0.443 42.3 -83.1 -77.8 160.6 17.5 -0.7 49.1 7 40 C D > - 0 0 113 365,-0.3 4,-0.8 1,-0.1 113,-0.1 -0.436 38.1-141.1 -59.6 137.0 18.5 -4.3 48.0 8 41 C A H > S+ 0 0 7 111,-0.2 4,-2.4 1,-0.2 5,-0.2 0.828 87.1 69.9 -71.5 -34.6 17.8 -4.6 44.3 9 42 C K H > S+ 0 0 127 1,-0.2 4,-2.3 110,-0.2 5,-0.2 0.890 98.8 44.9 -60.4 -47.5 16.5 -8.1 44.2 10 43 C P H > S+ 0 0 34 0, 0.0 4,-3.0 0, 0.0 -1,-0.2 0.896 113.7 52.2 -62.5 -38.0 13.1 -7.6 46.0 11 44 C L H X S+ 0 0 9 -4,-0.8 4,-2.9 2,-0.2 -2,-0.2 0.883 109.7 48.0 -64.0 -41.5 12.5 -4.5 43.8 12 45 C V H X S+ 0 0 11 -4,-2.4 4,-1.9 2,-0.2 -1,-0.2 0.906 114.5 46.7 -65.9 -39.8 13.2 -6.4 40.6 13 46 C E H X S+ 0 0 138 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.941 114.4 47.4 -64.8 -45.3 10.9 -9.2 41.8 14 47 C E H X S+ 0 0 47 -4,-3.0 4,-1.9 1,-0.2 -2,-0.2 0.921 113.3 47.3 -62.0 -47.0 8.2 -6.7 42.8 15 48 C A H X S+ 0 0 0 -4,-2.9 4,-2.4 1,-0.2 156,-0.3 0.828 107.4 58.6 -63.4 -33.9 8.5 -4.7 39.6 16 49 C T H X S+ 0 0 18 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.950 107.5 45.1 -61.1 -49.3 8.3 -8.0 37.6 17 50 C A H X S+ 0 0 65 -4,-2.0 4,-1.2 1,-0.2 -2,-0.2 0.904 114.1 49.1 -61.7 -41.6 4.9 -8.9 39.1 18 51 C Q H < S+ 0 0 65 -4,-1.9 3,-0.3 151,-0.2 4,-0.3 0.909 112.9 47.6 -65.8 -38.5 3.5 -5.4 38.6 19 52 C T H >< S+ 0 0 2 -4,-2.4 3,-1.1 1,-0.2 91,-0.3 0.857 104.8 58.6 -73.8 -34.6 4.7 -5.4 35.0 20 53 C K H 3< S+ 0 0 91 -4,-2.5 -1,-0.2 1,-0.2 -2,-0.2 0.829 112.0 43.0 -57.5 -33.9 3.3 -8.9 34.2 21 54 C A T 3< S+ 0 0 82 -4,-1.2 2,-0.4 -3,-0.3 -1,-0.2 0.423 86.6 119.2 -94.3 -1.8 -0.1 -7.5 35.2 22 55 C L < + 0 0 16 -3,-1.1 3,-0.1 -4,-0.3 88,-0.1 -0.531 33.6 175.7 -74.5 123.3 0.3 -4.2 33.4 23 56 C K + 0 0 99 -2,-0.4 26,-1.0 1,-0.3 2,-0.3 0.788 63.1 7.3 -96.3 -33.1 -2.4 -3.7 30.7 24 57 C S E +A 48 0A 3 24,-0.2 168,-2.8 2,-0.0 2,-0.3 -0.967 61.4 160.2-149.4 158.9 -1.6 -0.2 29.4 25 58 C A E -A 47 0A 0 22,-2.1 22,-2.5 -2,-0.3 2,-0.4 -0.963 40.5-104.6-169.6 159.4 1.0 2.6 29.7 26 59 C H E -AB 46 189A 44 163,-3.0 163,-2.0 -2,-0.3 2,-0.4 -0.806 44.2-164.3 -87.2 137.1 2.5 5.7 28.2 27 60 C M E -AB 45 188A 15 18,-2.8 18,-2.0 -2,-0.4 2,-0.5 -0.969 20.7-167.2-130.8 140.6 5.8 4.9 26.6 28 61 C V E -AB 44 187A 54 159,-2.0 159,-2.1 -2,-0.4 2,-0.4 -0.974 15.4-167.8-124.9 116.0 8.8 7.0 25.4 29 62 C L E +AB 43 186A 32 14,-3.3 14,-2.0 -2,-0.5 2,-0.4 -0.844 7.1 178.5-106.5 137.6 11.3 5.1 23.3 30 63 C T E -AB 42 185A 35 155,-2.3 155,-2.5 -2,-0.4 2,-0.5 -1.000 16.7-152.4-138.0 138.6 14.8 6.4 22.4 31 64 C V E - B 0 184A 24 10,-2.5 2,-0.4 -2,-0.4 153,-0.2 -0.965 10.8-156.9-110.6 122.6 17.6 4.9 20.4 32 65 C N E - B 0 183A 76 151,-2.6 151,-2.0 -2,-0.5 2,-0.2 -0.858 64.7 -24.1 -94.1 133.2 21.2 6.1 21.3 33 66 C G S S- 0 0 63 -2,-0.4 2,-0.4 149,-0.2 149,-0.1 -0.471 109.8 -38.5 67.4-133.7 23.7 5.6 18.5 34 67 C K - 0 0 108 -2,-0.2 5,-0.1 2,-0.0 -2,-0.1 -0.992 38.4-170.5-136.8 136.7 22.8 2.9 16.1 35 68 C I > - 0 0 5 3,-0.4 3,-1.4 -2,-0.4 116,-0.1 -0.951 36.5-121.9-121.1 105.8 21.2 -0.5 16.3 36 69 C P T 3 S+ 0 0 68 0, 0.0 3,-0.1 0, 0.0 -2,-0.0 -0.199 100.1 31.3 -45.2 129.5 21.5 -2.3 12.9 37 70 C G T 3 S+ 0 0 65 1,-0.2 2,-0.4 114,-0.0 114,-0.1 0.548 103.9 93.5 92.6 9.5 18.0 -3.2 11.8 38 71 C L < + 0 0 49 -3,-1.4 -3,-0.4 112,-0.1 -1,-0.2 -0.981 37.8 171.5-137.4 123.9 16.4 -0.2 13.4 39 72 C S + 0 0 52 -2,-0.4 22,-1.2 -3,-0.1 2,-0.2 0.454 50.8 115.0-103.1 -5.6 15.8 3.2 11.7 40 73 C L E + C 0 60A 26 20,-0.2 20,-0.2 1,-0.2 3,-0.1 -0.439 32.9 170.2 -67.2 131.4 13.8 4.4 14.7 41 74 C K E - 0 0 86 18,-2.8 -10,-2.5 1,-0.4 2,-0.3 0.759 67.8 -5.1-102.6 -49.5 15.2 7.3 16.7 42 75 C T E +AC 30 59A 57 17,-1.5 17,-2.7 -12,-0.2 -1,-0.4 -0.987 57.1 177.6-145.5 155.4 12.4 8.2 19.0 43 76 C L E -AC 29 58A 34 -14,-2.0 -14,-3.3 -2,-0.3 2,-0.3 -0.970 1.5-178.9-154.4 140.5 8.8 7.2 19.6 44 77 C S E +AC 28 57A 32 13,-2.6 13,-2.6 -2,-0.3 2,-0.3 -0.997 25.2 113.4-140.0 148.2 6.2 8.2 22.1 45 78 C G E -AC 27 56A 5 -18,-2.0 -18,-2.8 -2,-0.3 2,-0.4 -0.992 56.1 -83.1 173.3-178.6 2.6 7.0 22.5 46 79 C D E -AC 26 55A 39 9,-2.9 9,-2.1 -2,-0.3 2,-0.4 -0.941 36.6-167.5-119.4 135.2 0.0 5.3 24.5 47 80 C L E +AC 25 54A 1 -22,-2.5 -22,-2.1 -2,-0.4 2,-0.3 -0.971 8.7 176.8-126.8 137.2 -0.4 1.5 24.4 48 81 C T E > -AC 24 53A 20 5,-2.5 5,-2.2 -2,-0.4 2,-0.3 -0.945 12.1-154.1-134.2 158.4 -3.1 -0.7 25.6 49 82 C T T 5 + 0 0 13 -26,-1.0 3,-0.2 -2,-0.3 -2,-0.0 -0.909 58.5 61.5-133.4 158.3 -3.5 -4.5 25.3 50 83 C N T 5S+ 0 0 143 -2,-0.3 -1,-0.2 0, 0.0 2,-0.1 0.961 129.7 26.7 50.4 64.8 -6.4 -7.0 25.3 51 84 C P T 5S- 0 0 101 0, 0.0 2,-0.3 0, 0.0 -3,-0.0 0.500 112.0-131.2 -90.0 161.7 -7.3 -5.7 22.9 52 85 C T T 5 + 0 0 39 -3,-0.2 23,-0.6 -2,-0.1 24,-0.4 -0.537 39.5 151.8 -72.0 125.6 -4.2 -4.1 21.4 53 86 C A E < +CD 48 74A 12 -5,-2.2 -5,-2.5 -2,-0.3 2,-0.3 -0.979 14.3 179.2-149.3 148.1 -4.4 -0.5 20.4 54 87 C A E -CD 47 73A 4 19,-2.3 19,-2.5 -2,-0.3 2,-0.3 -0.997 7.8-178.5-146.1 152.6 -1.7 2.2 20.2 55 88 C T E +CD 46 72A 43 -9,-2.1 -9,-2.9 -2,-0.3 2,-0.3 -0.990 32.3 91.5-148.9 140.7 -1.4 5.9 19.3 56 89 C G E -CD 45 71A 14 15,-2.2 15,-2.6 -2,-0.3 2,-0.3 -0.965 57.0 -84.9 174.1-152.7 1.5 8.2 19.2 57 90 C N E -CD 44 70A 68 -13,-2.6 -13,-2.6 -2,-0.3 2,-0.3 -0.961 29.0-166.8-145.1 159.0 4.3 9.7 17.0 58 91 C W E -CD 43 69A 37 11,-2.5 11,-2.0 -2,-0.3 2,-0.5 -0.974 18.9-137.9-145.1 160.6 7.8 8.7 15.9 59 92 C K E -CD 42 68A 58 -17,-2.7 -18,-2.8 -2,-0.3 -17,-1.5 -0.994 29.6-177.6-120.5 123.9 10.9 10.0 14.3 60 93 C L E -CD 40 67A 30 7,-2.8 7,-2.8 -2,-0.5 2,-0.5 -0.697 22.0-137.1-115.9 163.8 12.5 7.6 11.8 61 94 C T E + D 0 66A 36 -22,-1.2 2,-0.6 5,-0.2 5,-0.2 -0.926 22.3 174.5-127.1 105.2 15.7 7.8 9.7 62 95 C L E > S- D 0 65A 89 3,-2.0 3,-0.5 -2,-0.5 2,-0.4 -0.943 70.0 -36.7-113.3 113.7 15.4 6.7 6.1 63 96 C G T 3 S- 0 0 78 -2,-0.6 0, 0.0 1,-0.2 0, 0.0 -0.643 124.6 -30.3 72.3-128.3 18.6 7.3 4.2 64 97 C G T 3 S+ 0 0 84 -2,-0.4 2,-0.4 2,-0.1 -1,-0.2 -0.273 120.3 98.8-111.6 42.1 20.0 10.6 5.5 65 98 C S E < -D 62 0A 69 -3,-0.5 -3,-2.0 2,-0.0 2,-0.5 -0.996 64.1-141.9-133.3 132.7 16.6 11.9 6.2 66 99 C D E -D 61 0A 83 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.808 20.9-162.4 -88.7 133.0 14.7 12.2 9.5 67 100 C I E -D 60 0A 69 -7,-2.8 -7,-2.8 -2,-0.5 2,-0.4 -0.975 4.7-159.5-121.8 123.4 10.9 11.5 9.1 68 101 C D E +D 59 0A 107 -2,-0.5 2,-0.3 -9,-0.2 -9,-0.2 -0.805 22.5 160.7 -97.3 139.7 8.3 12.5 11.6 69 102 C A E -D 58 0A 10 -11,-2.0 -11,-2.5 -2,-0.4 2,-0.3 -0.994 36.4-127.7-154.1 151.6 4.9 10.8 11.6 70 103 C D E -D 57 0A 64 -2,-0.3 11,-2.0 -13,-0.2 2,-0.3 -0.769 33.9-166.6 -92.7 149.5 1.9 10.1 13.7 71 104 C F E -DE 56 80A 14 -15,-2.6 -15,-2.2 -2,-0.3 2,-0.3 -0.965 16.1-170.3-137.9 154.5 0.8 6.5 14.0 72 105 C V E -DE 55 79A 10 7,-2.5 7,-3.1 -2,-0.3 2,-0.5 -0.991 8.4-160.8-138.5 138.4 -2.1 4.5 15.2 73 106 C V E +DE 54 78A 4 -19,-2.5 -19,-2.3 -2,-0.3 2,-0.4 -0.984 27.2 162.4-115.0 117.0 -2.4 0.7 15.6 74 107 C F E > -DE 53 77A 49 3,-2.3 3,-1.9 -2,-0.5 -21,-0.1 -0.989 62.2 -12.6-141.5 127.5 -6.1 -0.3 15.7 75 108 C D T 3 S- 0 0 122 -23,-0.6 -1,-0.1 -2,-0.4 -22,-0.1 0.909 128.8 -50.4 46.5 50.2 -7.7 -3.7 15.2 76 109 C G T 3 S+ 0 0 46 -24,-0.4 17,-2.7 1,-0.2 18,-0.5 0.265 115.0 110.9 84.3 -10.8 -4.5 -5.2 13.9 77 110 C I E < -EF 74 92A 41 -3,-1.9 -3,-2.3 15,-0.3 2,-0.5 -0.813 58.3-139.7-109.1 138.4 -3.7 -2.5 11.3 78 111 C L E -E 73 0A 18 13,-3.0 12,-3.0 -2,-0.4 2,-0.4 -0.828 20.3-177.5 -95.6 122.9 -1.0 0.2 11.3 79 112 C Y E +EF 72 89A 6 -7,-3.1 -7,-2.5 -2,-0.5 2,-0.3 -0.931 5.6 171.5-113.9 143.4 -1.9 3.7 10.1 80 113 C A E -EF 71 88A 4 8,-1.6 8,-2.6 -2,-0.4 2,-0.8 -0.985 38.9-103.0-147.0 156.9 0.6 6.5 9.8 81 114 C T E - F 0 87A 11 -11,-2.0 6,-0.2 -2,-0.3 -11,-0.1 -0.727 25.5-173.9 -86.5 111.0 0.6 10.0 8.4 82 115 C L E S+ 0 0 112 4,-1.4 -1,-0.2 -2,-0.8 5,-0.1 0.916 84.8 10.0 -66.5 -46.7 2.4 10.0 5.0 83 116 C T E > S- F 0 86A 80 3,-0.7 3,-2.1 -3,-0.1 -1,-0.3 -0.930 121.1 -57.2-128.7 154.8 2.0 13.8 5.0 84 117 C P T 3 S- 0 0 114 0, 0.0 -2,-0.1 0, 0.0 -1,-0.1 0.026 119.2 -12.2 -40.1 122.2 0.9 15.9 8.0 85 118 C N T 3 S+ 0 0 115 1,-0.1 2,-0.5 -4,-0.1 -4,-0.0 0.705 101.7 118.6 59.4 27.5 -2.6 14.7 9.2 86 119 C Q E < -F 83 0A 127 -3,-2.1 -4,-1.4 116,-0.0 -3,-0.7 -0.891 58.0-142.2-124.2 101.2 -3.3 12.5 6.1 87 120 C W E -F 81 0A 61 -2,-0.5 2,-0.3 114,-0.4 116,-0.3 -0.446 16.5-169.9 -78.4 123.1 -3.8 8.9 7.2 88 121 C S E -F 80 0A 41 -8,-2.6 -8,-1.6 -2,-0.3 2,-0.6 -0.805 21.7-127.0-106.0 151.5 -2.5 6.1 5.2 89 122 C D E +F 79 0A 94 -2,-0.3 -10,-0.2 -10,-0.2 -8,-0.0 -0.865 24.0 179.5 -99.8 117.7 -3.2 2.4 5.8 90 123 C F E - 0 0 95 -12,-3.0 -11,-0.1 -2,-0.6 -1,-0.1 0.075 38.4-121.4-109.9 24.0 -0.1 0.3 6.0 91 124 C G E + 0 0 18 -13,-0.1 -13,-3.0 -14,-0.0 -1,-0.3 -0.117 68.8 7.2 70.7-169.6 -1.6 -3.2 6.6 92 125 C P E > -F 77 0A 58 0, 0.0 3,-1.2 0, 0.0 4,-0.3 -0.182 57.5-145.9 -50.0 124.7 -1.1 -5.5 9.6 93 126 C A G >> S+ 0 0 3 -17,-2.7 4,-2.9 1,-0.2 3,-1.8 0.822 97.8 65.8 -58.3 -35.3 1.0 -4.0 12.3 94 127 C A G 34 S+ 0 0 68 -18,-0.5 4,-0.3 1,-0.3 -1,-0.2 0.744 86.5 69.4 -63.8 -23.5 2.5 -7.4 13.0 95 128 C D G <4 S+ 0 0 128 -3,-1.2 -1,-0.3 2,-0.2 -2,-0.2 0.723 119.5 19.5 -67.8 -21.1 4.2 -7.3 9.6 96 129 C I T <4 S- 0 0 119 -3,-1.8 -2,-0.2 -4,-0.3 2,-0.2 0.750 141.8 -42.1-108.0 -58.6 6.4 -4.5 11.0 97 130 C Y < - 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