==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PERIPLASMIC BINDING PROTEIN 10-APR-89 2LIV . COMPND 2 MOLECULE: LEUCINE; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.S.SACK,M.A.SAPER,F.A.QUIOCHO . 344 1 1 1 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15142.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 255 74.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 12.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 17 4.9 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 . 22 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 44 12.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 114 33.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 2.6 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 2 0 1 1 1 0 3 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 4 1 2 0 1 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 0 2 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 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 1 0 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 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 1 A E 0 0 219 0, 0.0 2,-0.3 0, 0.0 42,-0.3 0.000 360.0 360.0 360.0 146.5 1.2 30.8 -44.0 2 2 A D - 0 0 69 40,-0.2 2,-0.4 43,-0.0 42,-0.2 -0.788 360.0-107.8-129.0 135.9 0.2 27.6 -45.6 3 3 A I E -a 44 0A 19 40,-2.4 42,-3.2 -2,-0.3 2,-0.5 -0.719 28.3-144.7 -92.4 133.1 0.1 24.4 -43.6 4 4 A K E -a 45 0A 91 -2,-0.4 67,-0.6 40,-0.2 68,-0.5 -0.862 15.7-176.7-107.0 134.6 2.8 21.7 -44.2 5 5 A V E -ab 46 72A 0 40,-1.9 42,-2.6 -2,-0.5 2,-0.5 -0.970 20.7-139.8-127.6 132.3 2.1 18.1 -44.0 6 6 A A E -ab 47 73A 0 66,-2.2 68,-3.6 -2,-0.4 2,-0.6 -0.896 13.6-162.1 -95.3 121.2 4.9 15.5 -44.5 7 7 A V E -ab 48 74A 0 40,-0.5 42,-1.8 -2,-0.5 2,-0.6 -0.983 12.4-156.7-104.0 114.2 3.6 12.6 -46.6 8 8 A V E +ab 49 75A 0 66,-3.6 68,-0.9 -2,-0.6 69,-0.2 -0.938 27.7 141.3-104.6 121.0 6.1 9.8 -46.0 9 9 A G E -a 50 0A 0 40,-1.6 42,-2.5 -2,-0.6 43,-0.6 -0.660 56.3-104.8-138.4-178.0 6.4 7.0 -48.6 10 10 A A + 0 0 0 5,-0.3 9,-0.9 41,-0.2 10,-0.3 -0.995 42.7 156.1-115.5 99.0 8.6 4.7 -50.5 11 11 A M S S+ 0 0 99 -2,-0.5 5,-0.1 8,-0.2 -1,-0.1 -0.020 71.4 60.0-119.6 19.0 8.8 6.3 -54.0 12 12 A S S S+ 0 0 56 0, 0.0 -2,-0.0 0, 0.0 38,-0.0 0.747 92.8 33.9-110.8 -57.0 12.0 4.3 -54.2 13 13 A G S S- 0 0 40 0, 0.0 40,-0.1 0, 0.0 39,-0.0 0.430 103.6 -62.2 -91.2-127.9 12.2 0.6 -54.0 14 14 A P S S+ 0 0 109 0, 0.0 3,-0.4 0, 0.0 -4,-0.0 0.488 135.2 61.7 -95.8 -20.5 10.0 -2.4 -55.0 15 15 A V S >> S+ 0 0 34 1,-0.2 3,-3.3 37,-0.2 4,-1.5 0.341 70.7 105.5 -83.7 -5.8 7.5 -0.9 -52.6 16 16 A A H 3> S+ 0 0 32 1,-0.3 4,-1.1 2,-0.2 -1,-0.2 0.598 71.0 65.8 -52.2 -18.3 7.6 2.2 -54.8 17 17 A Q H 3> S+ 0 0 102 -3,-0.4 4,-0.6 2,-0.2 -1,-0.3 0.695 102.8 43.0 -79.2 -25.3 4.2 1.0 -56.0 18 18 A Y H X> S+ 0 0 91 -3,-3.3 4,-1.9 2,-0.2 3,-0.7 0.896 111.9 53.1 -87.6 -40.8 2.6 1.5 -52.5 19 19 A G H 3X S+ 0 0 0 -4,-1.5 4,-2.4 -9,-0.9 5,-0.2 0.790 106.8 56.0 -55.9 -34.5 4.4 4.9 -52.1 20 20 A D H 3X S+ 0 0 98 -4,-1.1 4,-2.0 -10,-0.3 -1,-0.3 0.864 103.8 51.8 -67.0 -41.6 2.8 5.8 -55.5 21 21 A Q H S+ 0 0 11 -4,-2.5 5,-2.7 -5,-0.2 -2,-0.2 0.896 118.1 39.3 -67.6 -40.1 -9.3 20.6 -49.9 34 34 A N H ><5S+ 0 0 36 -4,-2.2 3,-2.0 3,-0.2 -2,-0.2 0.894 107.6 61.4 -88.4 -19.4 -7.6 23.8 -50.9 35 35 A A H 3<5S+ 0 0 86 -4,-1.8 -1,-0.2 -5,-0.3 -2,-0.2 0.849 107.0 49.8 -66.5 -31.9 -9.7 24.2 -54.1 36 36 A K T 3<5S- 0 0 190 -4,-1.1 -1,-0.3 -5,-0.1 -2,-0.2 0.152 142.2 -70.1 -91.4 16.1 -12.6 24.5 -51.7 37 37 A G T <>5 - 0 0 32 -3,-2.0 4,-1.4 4,-0.1 -3,-0.2 0.246 57.6-125.2 119.5 -16.4 -11.0 27.1 -49.4 38 38 A G T 44 S-E 42 0B 4 3,-3.0 3,-1.3 1,-0.1 -1,-0.1 -0.921 125.9 -34.6-115.7 91.0 -8.6 25.5 -43.7 40 40 A K T 34 S- 0 0 160 -2,-0.7 -2,-0.2 1,-0.3 -1,-0.1 0.713 127.8 -43.1 63.0 31.2 -10.1 28.9 -43.1 41 41 A G T 3< S+ 0 0 47 -4,-1.4 2,-0.7 1,-0.3 -1,-0.3 0.268 113.4 122.3 99.7 -5.8 -8.2 30.2 -46.1 42 42 A N B < -E 39 0B 60 -3,-1.3 -3,-3.0 -5,-0.1 -1,-0.3 -0.852 54.0-145.3 -88.5 113.6 -5.0 28.4 -45.1 43 43 A K - 0 0 83 -2,-0.7 -40,-2.4 -42,-0.3 2,-0.3 -0.530 11.1-121.2 -85.6 146.0 -3.8 26.1 -47.9 44 44 A L E -a 3 0A 7 -42,-0.2 2,-0.4 -14,-0.2 -40,-0.2 -0.618 20.5-161.9 -85.1 144.0 -2.2 22.7 -47.3 45 45 A Q E -a 4 0A 75 -42,-3.2 -40,-1.9 -2,-0.3 2,-0.2 -0.972 11.0-144.0-137.7 111.2 1.3 22.1 -48.7 46 46 A I E -a 5 0A 38 -2,-0.4 2,-0.4 -42,-0.2 -40,-0.2 -0.559 12.4-167.7 -70.6 135.7 2.5 18.5 -49.0 47 47 A A E -a 6 0A 24 -42,-2.6 -40,-0.5 -2,-0.2 2,-0.2 -0.918 20.4-146.9-138.2 96.3 6.2 18.3 -48.3 48 48 A K E -a 7 0A 82 -2,-0.4 2,-0.3 -42,-0.2 -40,-0.2 -0.466 18.9-177.6 -71.5 137.0 7.3 14.8 -49.4 49 49 A Y E -a 8 0A 24 -42,-1.8 -40,-1.6 -2,-0.2 2,-0.4 -0.866 21.1-123.4-137.1 167.8 9.9 12.4 -48.0 50 50 A D E +a 9 0A 50 -2,-0.3 -40,-0.2 -42,-0.2 11,-0.1 -0.979 25.6 166.0-128.0 119.5 11.5 9.1 -48.7 51 51 A D > - 0 0 0 -42,-2.5 3,-1.7 -2,-0.4 7,-0.3 0.729 26.4-156.7 -85.8 -47.5 11.7 6.2 -46.3 52 52 A A T 3 - 0 0 31 -43,-0.6 -37,-0.2 1,-0.3 -42,-0.2 0.364 61.6 -85.5 71.1 -4.6 12.6 3.6 -48.9 53 53 A a T 3 S+ 0 0 23 1,-0.3 -1,-0.3 -44,-0.2 27,-0.1 0.816 93.7 133.9 70.2 46.1 11.1 1.4 -46.2 54 54 A D <> - 0 0 71 -3,-1.7 4,-2.9 27,-0.1 3,-0.3 -0.973 56.3-139.5-117.1 120.9 14.3 1.0 -44.2 55 55 A P H > S+ 0 0 56 0, 0.0 4,-0.6 0, 0.0 -3,-0.1 0.605 105.7 49.7 -57.1 -16.9 13.9 1.5 -40.4 56 56 A K H > S+ 0 0 175 2,-0.2 4,-1.3 3,-0.1 5,-0.1 0.721 111.2 48.1 -90.0 -35.6 17.2 3.5 -40.3 57 57 A Q H >> S+ 0 0 85 -3,-0.3 4,-2.4 1,-0.2 3,-0.6 0.982 106.9 59.6 -65.5 -51.4 16.1 5.6 -43.2 58 58 A A H 3X S+ 0 0 0 -4,-2.9 4,-1.6 1,-0.3 -1,-0.2 0.751 105.4 45.8 -44.4 -44.7 12.7 6.1 -41.3 59 59 A V H 3X S+ 0 0 44 -4,-0.6 4,-1.9 2,-0.2 -1,-0.3 0.845 110.7 55.3 -72.7 -34.3 14.4 7.7 -38.3 60 60 A A H S+ 0 0 0 -4,-2.3 5,-2.5 1,-0.2 3,-0.3 0.918 113.7 44.1 -55.5 -44.5 10.5 16.3 -40.4 66 66 A V H ><5S+ 0 0 36 -4,-1.4 3,-1.1 1,-0.2 -2,-0.2 0.909 112.8 46.1 -63.4 -58.1 11.2 17.6 -37.0 67 67 A N H 3<5S+ 0 0 145 -4,-1.9 -1,-0.2 1,-0.3 -2,-0.2 0.374 109.8 59.9 -70.2 -3.0 14.2 20.0 -37.7 68 68 A D T 3<5S- 0 0 67 -4,-0.6 -1,-0.3 -3,-0.3 -2,-0.2 0.309 114.6-119.2-106.8 -1.3 12.0 21.2 -40.7 69 69 A G T < 5 + 0 0 45 -3,-1.1 2,-0.3 1,-0.2 -3,-0.2 0.679 59.6 152.7 71.6 18.6 9.3 22.3 -38.3 70 70 A I < + 0 0 2 -5,-2.5 -1,-0.2 -6,-0.2 -2,-0.1 -0.599 18.7 177.0 -78.9 136.3 6.7 19.9 -39.8 71 71 A K + 0 0 101 -67,-0.6 24,-2.1 -2,-0.3 2,-0.5 0.449 61.5 61.6-114.9 -11.4 4.0 18.9 -37.2 72 72 A Y E -bc 5 95A 19 -68,-0.5 -66,-2.2 22,-0.2 2,-0.5 -0.964 63.3-170.7-122.1 113.1 1.6 16.7 -39.2 73 73 A V E -bc 6 96A 1 22,-3.5 24,-2.4 -2,-0.5 2,-0.6 -0.919 10.1-157.9-111.1 134.8 2.9 13.5 -40.8 74 74 A I E -bc 7 97A 1 -68,-3.6 -66,-3.6 -2,-0.5 2,-0.4 -0.962 57.3 -26.6-107.7 111.7 0.9 11.5 -43.2 75 75 A G E -b 8 0A 0 22,-4.6 -66,-0.1 -2,-0.6 -2,-0.1 -0.829 25.7-148.0 126.2-152.8 2.2 8.1 -43.2 76 76 A H - 0 0 0 -68,-0.9 25,-0.4 -2,-0.4 24,-0.4 0.734 31.7-152.6 82.5 123.2 4.8 5.9 -42.7 77 77 A L + 0 0 10 -69,-0.2 2,-0.3 23,-0.1 -68,-0.1 0.881 68.4 45.6 -61.0 -59.3 4.1 3.1 -45.2 78 78 A a S >> S- 0 0 32 23,-0.1 4,-1.7 1,-0.1 3,-1.3 -0.813 77.3-126.4 -94.1 141.4 5.6 -0.2 -43.9 79 79 A S H 3> S+ 0 0 44 -2,-0.3 4,-1.5 1,-0.3 -1,-0.1 0.760 110.2 56.2 -56.5 -32.5 5.3 -1.4 -40.3 80 80 A S H 34 S+ 0 0 63 1,-0.2 -1,-0.3 2,-0.2 -26,-0.0 0.736 111.5 40.8 -70.4 -33.1 9.1 -1.7 -40.0 81 81 A S H <> S+ 0 0 0 -3,-1.3 4,-0.9 2,-0.1 -2,-0.2 0.800 115.5 49.4 -78.3 -44.2 9.7 1.9 -41.0 82 82 A T H X S+ 0 0 0 -4,-1.7 4,-2.4 2,-0.2 -2,-0.2 0.779 98.3 62.7 -67.7 -45.9 7.0 3.5 -39.0 83 83 A Q H X S+ 0 0 57 -4,-1.5 4,-1.0 -5,-0.2 3,-0.5 0.968 106.5 47.5 -52.2 -59.0 7.5 1.9 -35.6 84 84 A P H > S+ 0 0 32 0, 0.0 4,-1.0 0, 0.0 3,-0.3 0.755 115.9 41.5 -50.7 -46.9 10.9 3.5 -35.3 85 85 A A H X S+ 0 0 0 -4,-0.9 4,-3.9 1,-0.2 5,-0.2 0.730 101.3 75.2 -74.0 -24.5 9.8 7.1 -36.3 86 86 A S H X S+ 0 0 0 -4,-2.4 4,-2.2 -3,-0.5 -1,-0.2 0.909 99.4 43.6 -47.5 -52.7 6.7 6.6 -34.2 87 87 A D H X S+ 0 0 51 -4,-1.0 4,-2.9 -3,-0.3 -1,-0.2 0.905 112.3 51.9 -60.4 -51.8 8.9 7.1 -31.0 88 88 A I H X S+ 0 0 27 -4,-1.0 4,-0.8 1,-0.2 -2,-0.2 0.924 111.7 47.2 -53.9 -49.2 10.6 10.0 -32.6 89 89 A Y H <>S+ 0 0 0 -4,-3.9 5,-1.2 2,-0.2 3,-0.4 0.840 113.1 47.1 -67.4 -35.3 7.3 11.6 -33.4 90 90 A E H ><5S+ 0 0 43 -4,-2.2 3,-1.8 1,-0.2 -2,-0.2 0.946 105.7 59.7 -69.4 -43.9 5.8 11.1 -29.9 91 91 A D H 3<5S+ 0 0 126 -4,-2.9 -1,-0.2 1,-0.3 -2,-0.2 0.788 116.7 34.2 -48.7 -32.5 8.9 12.4 -28.2 92 92 A E T 3<5S- 0 0 117 -4,-0.8 -1,-0.3 -3,-0.4 -2,-0.2 0.148 109.9-110.5-120.4 27.9 8.3 15.6 -30.1 93 93 A G T < 5 + 0 0 34 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.967 63.8 144.3 43.5 74.2 4.6 16.1 -30.3 94 94 A I < - 0 0 2 -5,-1.2 2,-0.4 203,-0.1 -22,-0.2 -0.970 49.2-125.9-135.7 127.3 4.1 15.6 -34.0 95 95 A L E -c 72 0A 1 -24,-2.1 -22,-3.5 -2,-0.4 2,-0.5 -0.693 23.0-162.9 -82.7 133.9 0.9 13.8 -35.0 96 96 A M E -cd 73 114A 0 17,-2.6 19,-1.9 -2,-0.4 2,-0.5 -0.982 6.1-172.5-113.1 123.4 1.5 10.8 -37.3 97 97 A I E -cd 74 115A 0 -24,-2.4 -22,-4.6 -2,-0.5 19,-0.2 -0.989 10.9-158.0-118.4 116.7 -1.5 9.3 -39.3 98 98 A T E - d 0 116A 0 17,-2.8 19,-2.4 -2,-0.5 20,-0.3 -0.887 17.2-174.5-102.5 130.9 -0.7 6.0 -41.1 99 99 A P S S+ 0 0 0 0, 0.0 180,-0.2 0, 0.0 181,-0.1 0.281 85.3 17.6 -99.4 11.3 -2.7 4.8 -44.1 100 100 A A S S+ 0 0 13 -24,-0.4 2,-0.5 18,-0.1 -21,-0.2 0.519 84.5 107.3-157.6 -14.5 -1.0 1.4 -44.4 101 101 A A + 0 0 0 -25,-0.4 17,-0.2 -23,-0.2 -23,-0.1 -0.706 32.8 173.6 -80.9 130.2 0.9 0.1 -41.3 102 102 A T + 0 0 41 -2,-0.5 19,-0.3 14,-0.0 -1,-0.1 0.166 26.8 133.4-123.9 10.8 -1.1 -2.7 -39.8 103 103 A A > - 0 0 10 1,-0.1 3,-1.6 17,-0.1 4,-0.4 -0.579 52.8-142.3 -70.8 121.3 1.3 -3.9 -37.1 104 104 A P G > S+ 0 0 78 0, 0.0 3,-0.8 0, 0.0 4,-0.2 0.765 93.8 63.5 -59.6 -26.0 -0.7 -4.3 -33.9 105 105 A E G 3 S+ 0 0 93 1,-0.2 4,-0.4 2,-0.2 3,-0.2 0.548 82.1 75.0 -76.6 -12.3 2.2 -3.0 -31.7 106 106 A L G < S+ 0 0 3 -3,-1.6 5,-0.2 1,-0.2 3,-0.2 0.842 110.3 34.6 -63.1 -28.9 2.3 0.5 -33.2 107 107 A T S < S+ 0 0 7 -3,-0.8 -2,-0.2 -4,-0.4 -1,-0.2 0.404 102.7 73.8-107.6 1.4 -0.9 0.9 -31.2 108 108 A A S S+ 0 0 76 -3,-0.2 -1,-0.2 -4,-0.2 -2,-0.1 0.450 81.1 75.9 -96.1 -7.1 -0.0 -1.2 -28.1 109 109 A R S S- 0 0 79 -4,-0.4 -1,-0.2 -3,-0.2 -2,-0.1 0.636 100.2-110.9 -87.1 -22.0 2.5 1.3 -26.6 110 110 A G + 0 0 58 1,-0.2 -3,-0.1 -3,-0.2 -2,-0.1 0.649 62.4 151.1 95.6 13.7 0.4 4.1 -25.0 111 111 A Y - 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