==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER LIPID BINDING PROTEIN 28-FEB-13 4JG9 . COMPND 2 MOLECULE: LIPOPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: BACILLUS ANTHRACIS; . AUTHOR J.S.BRUNZELLE,Z.WAWRZAK,O.ONOPRIYENKO,W.F.ANDERSON,A.SAVCHEN . 278 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14873.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 167 60.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 104 37.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 1.4 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 . 27 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 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 0 0 0 PARALLEL BRIDGES PER LADDER . 4 2 4 4 0 2 2 0 2 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 2 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 36 A S 0 0 74 0, 0.0 5,-0.1 0, 0.0 79,-0.1 0.000 360.0 360.0 360.0 144.2 40.5 17.1 139.0 2 37 A T + 0 0 129 1,-0.1 3,-0.1 3,-0.0 78,-0.0 0.594 360.0 52.1 -84.3 -12.5 42.0 17.2 142.5 3 38 A Q S S+ 0 0 149 1,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.743 109.7 19.5-104.7 -30.1 42.7 20.9 142.1 4 39 A V - 0 0 62 78,-0.0 2,-0.2 0, 0.0 -1,-0.1 -0.948 68.7-112.5-139.8 161.0 39.7 22.8 141.0 5 40 A N - 0 0 152 -2,-0.3 -3,-0.0 -3,-0.1 3,-0.0 -0.617 31.0-174.3 -87.7 155.8 35.9 22.5 140.8 6 41 A A - 0 0 41 -2,-0.2 66,-0.0 4,-0.1 76,-0.0 -0.921 38.2 -77.7-141.2 163.3 34.0 22.2 137.5 7 42 A P > - 0 0 19 0, 0.0 3,-1.9 0, 0.0 65,-0.0 -0.346 43.2-118.7 -60.8 149.3 30.3 22.2 136.6 8 43 A S T 3 S+ 0 0 107 1,-0.3 0, 0.0 3,-0.0 0, 0.0 0.707 111.9 61.5 -64.8 -20.2 28.7 18.8 137.3 9 44 A F T 3 S+ 0 0 29 2,-0.0 2,-0.5 120,-0.0 -1,-0.3 0.481 86.1 94.7 -85.5 0.4 27.9 18.4 133.6 10 45 A F < + 0 0 20 -3,-1.9 2,-0.4 3,-0.0 -4,-0.1 -0.797 50.7 175.4 -96.7 128.9 31.6 18.4 132.7 11 46 A H > - 0 0 113 -2,-0.5 3,-1.5 1,-0.1 4,-0.1 -0.970 36.6-129.8-129.0 145.9 33.4 15.1 132.4 12 47 A L G > S+ 0 0 70 -2,-0.4 3,-3.1 1,-0.3 4,-0.3 0.761 96.0 83.9 -63.2 -27.2 36.9 14.5 131.4 13 48 A S G > S+ 0 0 79 1,-0.3 3,-1.8 2,-0.2 4,-0.3 0.714 72.9 75.0 -54.6 -18.8 35.8 11.9 128.9 14 49 A V G < S+ 0 0 24 -3,-1.5 3,-0.3 1,-0.3 -1,-0.3 0.710 88.6 61.9 -64.9 -18.0 35.1 14.7 126.4 15 50 A L G X S+ 0 0 39 -3,-3.1 3,-1.4 1,-0.2 -1,-0.3 0.610 78.1 96.3 -76.1 -13.6 38.9 14.8 126.0 16 51 A K T < S+ 0 0 167 -3,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.823 94.0 21.9 -53.2 -44.7 39.1 11.3 124.7 17 52 A D T 3 S+ 0 0 124 -3,-0.3 -1,-0.3 -4,-0.3 2,-0.1 0.136 84.1 142.2-114.1 21.2 39.1 11.8 120.9 18 53 A V < - 0 0 21 -3,-1.4 2,-0.8 1,-0.1 -3,-0.0 -0.407 43.8-145.0 -69.4 132.1 40.4 15.4 120.7 19 54 A N - 0 0 119 -2,-0.1 2,-2.4 2,-0.1 116,-0.1 -0.886 14.8-140.3 -96.8 114.5 42.7 15.9 117.8 20 55 A W + 0 0 65 -2,-0.8 2,-0.3 99,-0.0 99,-0.1 -0.396 64.4 102.7 -83.2 70.1 45.2 18.4 119.2 21 56 A E S S- 0 0 131 -2,-2.4 114,-0.3 3,-0.0 -2,-0.1 -0.982 83.1 -88.4-143.0 147.5 45.6 20.6 116.2 22 57 A E - 0 0 90 -2,-0.3 114,-0.2 1,-0.1 3,-0.1 -0.316 48.9-109.6 -57.9 133.8 44.1 24.0 115.4 23 58 A T - 0 0 22 112,-2.2 -1,-0.1 1,-0.1 114,-0.1 -0.489 40.6-111.0 -64.3 131.0 40.7 23.7 113.8 24 59 A P - 0 0 103 0, 0.0 11,-0.6 0, 0.0 2,-0.2 -0.356 28.8-114.9 -68.5 148.0 41.0 24.7 110.1 25 60 A S E -A 34 0A 58 9,-0.1 2,-0.3 -3,-0.1 9,-0.2 -0.505 34.2-176.4 -76.7 152.7 39.4 27.9 108.9 26 61 A F E -A 33 0A 22 7,-2.0 7,-2.6 -2,-0.2 2,-0.5 -0.968 24.8-110.3-144.7 162.4 36.5 27.9 106.4 27 62 A I E +A 32 0A 112 -2,-0.3 2,-0.4 5,-0.2 7,-0.0 -0.793 28.0 176.2-100.9 129.5 34.5 30.5 104.6 28 63 A Q E > S-A 31 0A 71 3,-2.3 3,-1.6 -2,-0.5 -2,-0.0 -0.990 78.9 -15.4-130.1 118.8 30.8 31.1 105.3 29 64 A E T 3 S- 0 0 175 -2,-0.4 -1,-0.1 1,-0.3 -2,-0.0 0.867 128.8 -53.7 54.7 40.2 29.2 33.9 103.4 30 65 A K T 3 S+ 0 0 195 1,-0.2 -1,-0.3 0, 0.0 -3,-0.1 0.495 116.9 103.3 79.5 5.3 32.5 35.3 102.4 31 66 A I E < S-A 28 0A 68 -3,-1.6 -3,-2.3 -5,-0.0 2,-0.2 -0.934 73.7-108.0-125.4 145.4 34.0 35.5 105.9 32 67 A P E -A 27 0A 64 0, 0.0 12,-2.0 0, 0.0 2,-0.3 -0.480 39.3-179.5 -72.6 136.0 36.5 33.4 107.8 33 68 A L E -AB 26 43A 2 -7,-2.6 -7,-2.0 10,-0.3 2,-0.4 -0.955 18.6-151.4-135.7 150.8 35.2 31.1 110.5 34 69 A K E +AB 25 42A 11 8,-3.2 8,-3.1 -2,-0.3 2,-0.3 -0.990 57.1 44.1-124.7 131.2 36.6 28.6 113.0 35 70 A G E S- B 0 41A 6 -11,-0.6 2,-0.6 -2,-0.4 6,-0.2 -0.998 96.0 -16.9 146.0-146.7 34.7 25.7 114.4 36 71 A I E >> - B 0 40A 46 4,-2.7 3,-1.8 -2,-0.3 4,-0.7 -0.873 66.3-120.3-103.6 119.9 32.4 23.0 113.2 37 72 A E T 34 S+ 0 0 124 -2,-0.6 3,-0.1 1,-0.3 -9,-0.0 -0.270 94.1 9.2 -59.8 136.1 30.8 23.5 109.8 38 73 A E T 34 S+ 0 0 152 1,-0.2 -1,-0.3 23,-0.0 3,-0.1 0.560 130.8 54.6 72.7 9.0 27.0 23.7 109.8 39 74 A K T <4 S- 0 0 63 -3,-1.8 22,-2.4 21,-0.1 21,-1.1 0.426 110.9 -21.8-129.6 -84.5 26.9 23.7 113.6 40 75 A I E < +BC 36 59A 0 -4,-0.7 -4,-2.7 19,-0.2 2,-0.3 -0.999 59.2 156.4-140.6 143.4 28.8 26.3 115.6 41 76 A A E -BC 35 58A 0 17,-2.1 17,-3.5 -2,-0.3 2,-0.3 -0.978 26.8-134.5-155.8 162.8 31.8 28.5 114.8 42 77 A X E -BC 34 57A 2 -8,-3.1 -8,-3.2 -2,-0.3 15,-0.2 -0.835 42.8 -84.9-116.3 160.9 33.5 31.7 115.9 43 78 A A E -B 33 0A 23 13,-2.5 2,-2.3 -2,-0.3 -10,-0.3 -0.393 48.1-109.0 -59.4 139.1 34.9 34.5 113.7 44 79 A D + 0 0 62 -12,-2.0 -1,-0.1 -18,-0.1 -11,-0.1 -0.506 65.4 151.6 -72.6 83.6 38.5 33.6 112.7 45 80 A S - 0 0 36 -2,-2.3 2,-0.1 11,-0.1 8,-0.0 -0.915 52.2-100.3-118.4 145.4 40.0 36.2 114.9 46 81 A P - 0 0 81 0, 0.0 2,-0.6 0, 0.0 92,-0.1 -0.414 32.3-147.7 -67.5 133.5 43.5 36.1 116.5 47 82 A I B -g 138 0B 16 90,-0.5 92,-3.3 -2,-0.1 2,-0.5 -0.910 11.5-166.6-105.7 116.4 43.4 35.1 120.1 48 83 A I > - 0 0 53 -2,-0.6 3,-1.5 3,-0.3 66,-0.3 -0.892 28.4-111.8-106.7 125.6 46.1 36.6 122.3 49 84 A A T 3 S+ 0 0 17 -2,-0.5 68,-0.1 1,-0.3 3,-0.1 -0.230 100.0 11.7 -57.0 138.3 46.7 35.1 125.7 50 85 A N T 3 S+ 0 0 116 64,-2.8 2,-0.4 1,-0.2 -1,-0.3 0.737 102.0 111.9 64.6 26.8 45.7 37.5 128.6 51 86 A E < - 0 0 113 -3,-1.5 -3,-0.3 63,-0.2 2,-0.3 -0.964 67.4-131.7-129.5 117.4 43.8 39.8 126.2 52 87 A K - 0 0 129 -2,-0.4 2,-0.4 61,-0.1 61,-0.2 -0.479 31.9-176.9 -65.2 122.9 40.1 40.1 126.4 53 88 A N E - D 0 112A 49 59,-2.3 59,-2.5 -2,-0.3 2,-0.7 -0.992 25.0-137.2-129.3 125.4 38.8 39.9 122.9 54 89 A E E - D 0 111A 130 -2,-0.4 2,-0.5 57,-0.3 57,-0.3 -0.726 31.0-174.0 -79.3 117.6 35.2 40.2 121.8 55 90 A I E - D 0 110A 3 55,-3.6 55,-2.4 -2,-0.7 2,-0.3 -0.955 23.3-125.0-122.1 130.8 34.6 37.5 119.3 56 91 A X E - D 0 109A 43 -2,-0.5 -13,-2.5 53,-0.2 2,-0.3 -0.537 24.5-155.8 -73.2 128.1 31.5 37.0 117.2 57 92 A W E -CD 42 108A 0 51,-2.8 51,-2.2 -2,-0.3 2,-0.4 -0.827 3.6-151.4-104.1 147.5 30.0 33.5 117.6 58 93 A Y E -CD 41 107A 46 -17,-3.5 -17,-2.1 -2,-0.3 2,-1.0 -0.976 9.3-153.1-126.7 129.4 27.8 31.9 114.9 59 94 A F E +C 40 0A 9 47,-3.7 -19,-0.2 -2,-0.4 47,-0.2 -0.764 24.3 166.1-103.3 87.4 25.0 29.4 115.3 60 95 A L + 0 0 35 -21,-1.1 -20,-0.2 -2,-1.0 -1,-0.2 0.763 43.6 101.7 -75.6 -30.5 25.0 27.6 112.0 61 96 A D > - 0 0 31 -22,-2.4 3,-1.5 1,-0.2 45,-0.2 -0.417 62.1-153.8 -62.2 117.0 22.9 24.7 113.1 62 97 A P T 3 S+ 0 0 106 0, 0.0 -1,-0.2 0, 0.0 -23,-0.1 0.640 98.5 45.9 -67.2 -14.8 19.3 25.3 111.8 63 98 A E T 3 S+ 0 0 163 39,-0.1 -2,-0.1 2,-0.0 3,-0.1 -0.195 80.3 165.0-119.4 40.4 18.2 23.1 114.7 64 99 A X < - 0 0 5 -3,-1.5 39,-0.5 -5,-0.1 40,-0.1 -0.372 41.3-114.1 -56.1 127.0 20.4 24.7 117.5 65 100 A P - 0 0 56 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.228 28.5-111.1 -63.4 154.2 19.1 23.5 120.8 66 101 A T + 0 0 85 36,-0.1 36,-0.2 60,-0.1 2,-0.2 -0.667 66.1 78.2 -85.9 141.3 17.5 26.1 123.2 67 102 A G E S-H 101 0B 5 34,-2.3 34,-2.7 -2,-0.3 2,-0.1 -0.804 81.0 -49.3 151.9 174.0 19.3 27.0 126.4 68 103 A K E -H 100 0B 67 32,-0.3 59,-2.3 -2,-0.2 2,-0.5 -0.480 59.6-122.0 -69.3 148.3 22.1 29.0 128.1 69 104 A L E - I 0 126B 0 30,-0.7 28,-3.1 57,-0.2 2,-0.4 -0.812 27.3-168.2 -98.5 128.8 25.5 28.5 126.4 70 105 A S E -HI 96 125B 2 55,-2.7 55,-2.4 -2,-0.5 2,-0.4 -0.925 7.7-168.5-115.6 141.9 28.4 27.1 128.3 71 106 A I E - I 0 124B 0 24,-2.7 13,-0.6 -2,-0.4 2,-0.5 -0.979 3.7-176.4-128.1 120.8 32.1 27.0 127.3 72 107 A I E -JI 83 123B 0 51,-2.6 51,-2.4 -2,-0.4 2,-0.3 -0.967 13.7-161.3-118.3 118.0 34.5 24.9 129.3 73 108 A A E -JI 82 122B 0 9,-2.7 9,-1.9 -2,-0.5 2,-0.4 -0.693 12.4-176.0-105.7 146.0 38.2 25.1 128.2 74 109 A L E - I 0 121B 0 47,-1.7 47,-2.7 -2,-0.3 2,-0.1 -0.992 22.5-129.7-137.0 136.0 41.2 23.0 128.8 75 110 A K E > - I 0 120B 64 5,-0.4 3,-2.0 -2,-0.4 45,-0.2 -0.397 45.1 -82.8 -74.3 156.3 44.7 23.6 127.7 76 111 A Q T 3 S+ 0 0 98 43,-2.4 -1,-0.1 1,-0.3 3,-0.1 -0.400 120.0 16.8 -57.2 130.8 46.6 20.8 125.9 77 112 A G T 3 S+ 0 0 86 1,-0.3 2,-0.3 -3,-0.1 -1,-0.3 0.546 104.5 117.8 81.4 8.9 48.0 18.4 128.5 78 113 A S < - 0 0 35 -3,-2.0 -1,-0.3 1,-0.1 -4,-0.0 -0.805 45.8-173.8-111.5 147.9 45.7 19.8 131.2 79 114 A V + 0 0 80 -2,-0.3 -1,-0.1 -3,-0.1 -3,-0.1 0.123 65.7 100.8-114.3 13.8 43.0 18.1 133.3 80 115 A T - 0 0 52 -5,-0.1 -5,-0.4 -77,-0.1 -75,-0.1 -0.848 63.2-152.5-107.4 102.3 42.1 21.4 134.8 81 116 A P - 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