==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-FEB-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN TRANSPORT 26-MAR-12 4EC5 . COMPND 2 MOLECULE: GENERAL SECRETION PATHWAY PROTEIN D; . SOURCE 2 ORGANISM_SCIENTIFIC: PSEUDOMONAS AERUGINOSA; . AUTHOR R.VAN DER MEEREN,S.SAVVIDES . 426 5 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19544.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 311 73.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 4.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 90 21.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.7 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 . 1 0.2 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 . 32 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 41 9.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 125 29.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 8 1.9 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 2 0 0 0 2 0 7 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 3 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 PARALLEL BRIDGES PER LADDER . 0 0 2 0 6 6 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 . 0 2 0 1 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 41 A A 0 0 64 0, 0.0 11,-0.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 163.4 17.2 34.7 7.7 2 42 A F E -A 11 0A 17 9,-0.1 9,-0.2 22,-0.1 7,-0.0 -0.657 360.0-156.1 -76.3 123.5 17.1 38.5 8.4 3 43 A V E -A 10 0A 82 7,-2.4 7,-1.9 -2,-0.5 -1,-0.0 -0.895 20.2-113.6-108.0 122.4 13.4 39.5 8.8 4 44 A P E A 9 0A 101 0, 0.0 5,-0.3 0, 0.0 -1,-0.0 -0.183 360.0 360.0 -49.4 141.8 12.3 43.1 8.1 5 45 A A 0 0 83 3,-2.2 3,-0.7 46,-0.1 0, 0.0 -0.933 360.0 360.0-139.1 360.0 11.1 44.9 11.3 6 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 7 51 A A 0 0 109 0, 0.0 46,-0.5 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 111.8 15.0 49.6 7.0 8 52 A H - 0 0 83 -3,-0.7 -3,-2.2 44,-0.2 2,-0.3 -0.873 360.0-162.9-127.6 160.2 15.7 47.5 10.0 9 53 A W E -AB 4 51A 36 42,-1.9 42,-3.0 -2,-0.3 2,-0.3 -0.953 10.4-153.6-142.3 162.1 15.9 43.7 10.6 10 54 A T E -A 3 0A 37 -7,-1.9 -7,-2.4 -2,-0.3 2,-0.3 -0.784 17.4-157.0-123.2 169.8 15.9 41.0 13.2 11 55 A I E +AB 2 47A 5 36,-1.7 36,-2.8 -2,-0.3 -9,-0.1 -0.995 23.5 175.8-154.2 145.8 17.4 37.6 13.1 12 56 A N E + B 0 46A 106 -11,-0.5 2,-0.5 -2,-0.3 34,-0.2 -0.494 21.8 163.0-150.5 73.1 17.1 34.2 14.6 13 57 A L E - B 0 45A 23 32,-2.8 32,-1.7 3,-0.0 2,-0.4 -0.831 14.9-169.1 -99.1 125.4 19.5 31.8 12.9 14 58 A K E - 0 0 105 -2,-0.5 30,-0.2 30,-0.2 29,-0.1 -0.962 61.9 -16.4-123.5 131.8 20.3 28.5 14.7 15 59 A D E S+ 0 0 112 -2,-0.4 2,-0.2 1,-0.2 29,-0.2 0.848 88.0 158.1 48.8 43.8 22.9 25.9 13.9 16 60 A A E - B 0 43A 14 27,-2.5 27,-3.2 -3,-0.1 -1,-0.2 -0.656 50.6 -97.3 -96.1 153.1 23.5 27.3 10.4 17 61 A D E >> - B 0 42A 70 -2,-0.2 4,-1.6 25,-0.2 3,-0.6 -0.443 30.3-128.6 -63.2 139.5 26.6 26.8 8.3 18 62 A I H 3> S+ 0 0 1 23,-3.0 4,-2.0 1,-0.2 -1,-0.1 0.852 110.2 59.2 -59.1 -33.6 28.8 29.9 8.6 19 63 A R H 3> S+ 0 0 87 22,-0.3 4,-1.8 1,-0.2 -1,-0.2 0.823 102.2 52.7 -63.1 -36.5 28.9 30.1 4.8 20 64 A E H <> S+ 0 0 96 -3,-0.6 4,-1.9 2,-0.2 -1,-0.2 0.895 107.4 51.8 -64.2 -40.8 25.1 30.4 4.8 21 65 A F H X S+ 0 0 0 -4,-1.6 4,-1.7 1,-0.2 -2,-0.2 0.895 108.6 50.7 -62.9 -41.3 25.4 33.3 7.2 22 66 A I H X S+ 0 0 5 -4,-2.0 4,-1.6 2,-0.2 -1,-0.2 0.909 110.2 48.3 -62.6 -45.5 27.9 35.1 5.0 23 67 A D H X S+ 0 0 49 -4,-1.8 4,-1.9 1,-0.2 -1,-0.2 0.868 109.3 54.9 -59.6 -40.8 25.8 34.7 1.9 24 68 A Q H X S+ 0 0 46 -4,-1.9 4,-1.5 1,-0.2 -1,-0.2 0.871 106.0 51.5 -61.7 -40.3 22.8 36.0 3.9 25 69 A I H X S+ 0 0 0 -4,-1.7 4,-2.8 1,-0.2 6,-0.4 0.835 107.8 52.7 -66.4 -35.1 24.9 39.1 4.8 26 70 A S H X S+ 0 0 28 -4,-1.6 4,-2.3 2,-0.2 -2,-0.2 0.874 105.7 54.2 -67.4 -40.0 25.7 39.7 1.1 27 71 A E H < S+ 0 0 82 -4,-1.9 -2,-0.2 1,-0.2 -1,-0.2 0.868 117.7 35.3 -62.3 -39.8 22.0 39.6 0.3 28 72 A I H < S+ 0 0 44 -4,-1.5 -2,-0.2 -5,-0.1 -1,-0.2 0.901 127.5 34.8 -79.1 -52.1 21.1 42.2 2.8 29 73 A T H < S- 0 0 23 -4,-2.8 -3,-0.2 -5,-0.2 -2,-0.2 0.797 93.1-133.3 -70.1 -37.7 24.2 44.4 2.5 30 74 A G < + 0 0 56 -4,-2.3 2,-0.2 1,-0.4 -4,-0.2 0.393 62.3 134.2 85.8 -1.1 24.9 44.0 -1.1 31 75 A E - 0 0 98 -6,-0.4 2,-0.4 -5,-0.0 -1,-0.4 -0.499 48.1-142.2 -72.6 148.8 28.5 43.4 -0.3 32 76 A T - 0 0 114 -2,-0.2 46,-0.6 -3,-0.1 2,-0.4 -0.964 16.3-167.1-119.2 134.4 30.2 40.5 -2.1 33 77 A F E -f 78 0B 23 -2,-0.4 2,-0.6 44,-0.1 46,-0.2 -0.925 20.1-146.4-121.9 140.6 32.7 38.2 -0.4 34 78 A V E -f 79 0B 70 44,-3.0 46,-2.4 -2,-0.4 2,-0.7 -0.932 27.7-146.3 -98.2 124.1 35.0 35.6 -1.6 35 79 A V E -f 80 0B 35 -2,-0.6 46,-0.1 44,-0.2 44,-0.1 -0.817 12.4-124.4 -99.1 115.4 35.1 32.9 1.1 36 80 A D > - 0 0 9 44,-2.5 3,-2.4 -2,-0.7 -1,-0.0 -0.228 23.8-118.4 -53.0 139.6 38.5 31.2 1.6 37 81 A P T 3 S+ 0 0 105 0, 0.0 -1,-0.1 0, 0.0 44,-0.1 0.773 112.3 61.5 -51.0 -29.4 38.1 27.4 1.4 38 82 A R T 3 S+ 0 0 119 2,-0.0 2,-0.6 44,-0.0 -2,-0.1 0.598 75.1 106.5 -77.2 -11.3 39.2 27.0 5.0 39 83 A V < + 0 0 0 -3,-2.4 2,-0.3 41,-0.2 -20,-0.1 -0.593 48.7 140.8 -72.8 116.6 36.3 29.1 6.4 40 84 A K + 0 0 63 -2,-0.6 2,-0.2 -22,-0.1 -2,-0.0 -0.940 8.6 98.1-150.2 166.3 34.0 26.5 8.0 41 85 A G - 0 0 31 -2,-0.3 -23,-3.0 2,-0.0 2,-0.4 -0.558 58.0 -86.2 133.6 162.6 31.9 26.1 11.1 42 86 A Q E -B 17 0A 98 46,-0.3 48,-0.4 -25,-0.2 2,-0.3 -0.895 42.3-171.7-106.7 134.7 28.4 26.2 12.6 43 87 A V E -B 16 0A 0 -27,-3.2 -27,-2.5 -2,-0.4 2,-0.4 -0.935 19.6-159.1-128.7 150.2 26.9 29.5 13.9 44 88 A S E - c 0 91A 9 46,-1.1 48,-3.3 -2,-0.3 2,-0.4 -0.990 16.8-178.0-125.2 122.1 23.9 30.7 15.8 45 89 A V E +Bc 13 92A 0 -32,-1.7 -32,-2.8 -2,-0.4 2,-0.4 -0.979 3.6 175.8-128.5 124.8 23.0 34.4 15.4 46 90 A V E +Bc 12 93A 19 46,-2.2 48,-2.5 -2,-0.4 2,-0.3 -0.989 12.3 164.7-136.8 129.5 20.2 36.1 17.3 47 91 A S E +Bc 11 94A 1 -36,-2.8 -36,-1.7 -2,-0.4 4,-0.1 -0.872 9.5 173.0-143.3 110.4 18.9 39.7 17.6 48 92 A K E S+ 0 0 95 46,-0.6 2,-0.2 -2,-0.3 -1,-0.1 0.726 70.0 81.8 -83.1 -24.9 15.4 40.5 18.9 49 93 A A E S- 0 0 14 45,-0.3 2,-0.3 1,-0.1 -38,-0.2 -0.545 95.0-108.9 -73.9 146.3 16.3 44.1 18.8 50 94 A Q E - 0 0 39 -2,-0.2 2,-0.4 -40,-0.1 -40,-0.2 -0.636 35.8-155.6 -82.6 134.9 15.9 45.7 15.3 51 95 A L E -B 9 0A 4 -42,-3.0 -42,-1.9 -2,-0.3 -46,-0.1 -0.891 8.8-133.5-115.9 140.3 19.2 46.5 13.5 52 96 A S > - 0 0 23 -2,-0.4 4,-1.9 -44,-0.2 5,-0.2 -0.280 40.1 -96.3 -76.0 173.0 20.0 49.0 10.8 53 97 A L H > S+ 0 0 79 -46,-0.5 4,-1.6 1,-0.2 5,-0.1 0.902 126.5 48.9 -57.8 -45.7 22.0 48.0 7.8 54 98 A S H > S+ 0 0 84 1,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.850 110.4 51.2 -65.4 -35.9 25.2 49.3 9.3 55 99 A E H > S+ 0 0 18 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.807 105.0 56.7 -71.5 -30.2 24.5 47.5 12.6 56 100 A V H X S+ 0 0 0 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.884 106.2 50.8 -64.9 -39.2 24.0 44.3 10.6 57 101 A Y H X S+ 0 0 73 -4,-1.6 4,-2.1 2,-0.2 -2,-0.2 0.880 108.1 52.0 -65.4 -38.7 27.5 44.7 9.2 58 102 A Q H X S+ 0 0 35 -4,-1.6 4,-2.0 2,-0.2 -2,-0.2 0.910 108.7 50.5 -61.9 -42.7 28.9 45.2 12.7 59 103 A L H X S+ 0 0 1 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.903 107.5 54.7 -61.4 -41.9 27.1 42.0 13.8 60 104 A F H X S+ 0 0 0 -4,-2.1 4,-2.4 1,-0.2 -2,-0.2 0.916 107.9 48.7 -55.1 -47.2 28.7 40.2 10.8 61 105 A L H X S+ 0 0 78 -4,-2.1 4,-2.8 1,-0.2 -1,-0.2 0.867 110.2 51.8 -63.5 -37.9 32.2 41.4 11.9 62 106 A S H X S+ 0 0 10 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.885 110.5 47.9 -65.5 -40.7 31.5 40.1 15.5 63 107 A V H X S+ 0 0 0 -4,-2.3 4,-1.4 2,-0.2 -2,-0.2 0.920 113.7 47.6 -66.3 -43.3 30.5 36.7 14.2 64 108 A M H ><>S+ 0 0 2 -4,-2.4 5,-2.8 1,-0.2 3,-0.5 0.960 114.2 46.2 -61.6 -52.5 33.5 36.5 12.0 65 109 A S H ><5S+ 0 0 69 -4,-2.8 3,-1.2 1,-0.2 -1,-0.2 0.854 107.0 59.9 -57.1 -38.9 35.9 37.6 14.8 66 110 A T H 3<5S+ 0 0 18 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.865 110.7 39.9 -57.3 -39.0 34.2 35.2 17.2 67 111 A H T <<5S- 0 0 49 -4,-1.4 -1,-0.2 -3,-0.5 -2,-0.2 0.205 123.9 -98.4-100.8 13.3 35.1 32.2 15.0 68 112 A G T < 5S+ 0 0 33 -3,-1.2 15,-3.2 1,-0.3 2,-0.3 0.819 79.7 126.4 78.3 33.8 38.6 33.4 14.1 69 113 A F E < -G 82 0B 20 -5,-2.8 2,-0.3 13,-0.3 -1,-0.3 -0.847 33.8-170.9-119.5 159.9 38.0 34.9 10.7 70 114 A T E -G 81 0B 29 11,-2.4 11,-2.8 -2,-0.3 2,-0.5 -0.980 23.6-116.6-146.2 156.6 38.7 38.3 9.2 71 115 A V E +G 80 0B 26 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.839 37.5 170.3 -99.2 126.4 38.0 40.3 6.1 72 116 A V E -G 79 0B 2 7,-3.3 7,-3.6 -2,-0.5 2,-0.6 -0.833 34.5-113.1-127.6 167.2 40.8 41.3 3.8 73 117 A A E +G 78 0B 42 223,-2.8 2,-0.4 -2,-0.3 5,-0.2 -0.906 42.2 159.0-103.9 115.8 41.3 42.8 0.3 74 118 A Q E > -G 77 0B 48 3,-2.3 3,-1.3 -2,-0.6 -2,-0.0 -0.992 64.1 -9.7-133.7 133.5 42.9 40.5 -2.3 75 119 A G T 3 S- 0 0 71 -2,-0.4 3,-0.1 1,-0.3 -1,-0.1 0.840 124.4 -54.7 57.0 38.5 42.7 40.7 -6.0 76 120 A D T 3 S+ 0 0 116 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.697 121.1 94.0 73.0 16.7 40.1 43.5 -6.2 77 121 A Q E < S- G 0 74B 41 -3,-1.3 -3,-2.3 -43,-0.0 2,-0.4 -0.977 80.1-109.3-139.5 153.0 37.7 41.5 -4.1 78 122 A A E -fG 33 73B 35 -46,-0.6 -44,-3.0 -2,-0.3 2,-0.4 -0.714 40.0-163.3 -84.7 130.2 36.8 41.3 -0.4 79 123 A R E -fG 34 72B 52 -7,-3.6 -7,-3.3 -2,-0.4 2,-0.6 -0.939 18.6-146.6-124.8 133.1 38.0 38.0 1.1 80 124 A I E +fG 35 71B 0 -46,-2.4 -44,-2.5 -2,-0.4 -9,-0.2 -0.866 33.4 167.9 -96.5 124.1 37.2 36.2 4.3 81 125 A V E - 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D 0 128A 18 33,-3.3 33,-2.8 -2,-0.5 2,-0.3 -0.946 7.1-149.0-117.1 112.8 21.5 42.4 23.7 96 150 A Q E - D 0 127A 110 -2,-0.6 2,-0.5 31,-0.2 31,-0.2 -0.615 8.6-147.3 -81.3 139.6 19.7 45.8 23.8 97 151 A V - 0 0 6 29,-2.5 5,-0.1 -2,-0.3 48,-0.0 -0.915 8.7-165.9-108.8 132.0 20.1 47.9 26.9 98 152 A Q S S+ 0 0 90 -2,-0.5 -1,-0.2 3,-0.1 47,-0.0 0.968 74.2 14.0 -83.5 -59.2 17.2 50.1 28.0 99 153 A Q S S+ 0 0 150 2,-0.1 50,-0.1 49,-0.1 -2,-0.0 0.835 112.1 60.5 -95.7 -35.9 18.3 52.7 30.6 100 154 A S S S- 0 0 11 26,-0.1 2,-0.2 1,-0.1 -3,-0.1 -0.698 85.4-103.7-101.8 147.8 22.1 52.8 30.8 101 155 A P >> - 0 0 57 0, 0.0 3,-1.2 0, 0.0 4,-0.6 -0.478 33.6-131.0 -61.5 132.2 24.7 53.6 28.2 102 156 A V H >> S+ 0 0 3 1,-0.3 3,-1.3 2,-0.2 4,-1.3 0.844 100.9 65.4 -58.0 -38.5 26.2 50.3 27.0 103 157 A S H 34 S+ 0 0 52 1,-0.3 -1,-0.3 2,-0.2 302,-0.1 0.803 96.9 56.7 -54.5 -33.2 29.8 51.4 27.4 104 158 A E H <4 S+ 0 0 20 -3,-1.2 -1,-0.3 1,-0.2 4,-0.2 0.740 107.0 48.4 -73.2 -22.8 29.4 51.7 31.2 105 159 A L H XX S+ 0 0 0 -3,-1.3 4,-1.2 -4,-0.6 3,-1.1 0.750 90.1 83.1 -86.9 -25.7 28.2 48.1 31.6 106 160 A I H >X S+ 0 0 20 -4,-1.3 4,-1.6 1,-0.3 3,-0.8 0.872 91.2 45.5 -47.6 -53.9 31.1 46.5 29.6 107 161 A P H 34 S+ 0 0 28 0, 0.0 -1,-0.3 0, 0.0 -2,-0.1 0.723 111.1 55.3 -66.1 -20.2 33.7 46.3 32.3 108 162 A L H <4 S+ 0 0 1 -3,-1.1 -2,-0.2 -4,-0.2 -3,-0.1 0.698 114.8 37.7 -83.7 -21.6 31.2 44.9 34.8 109 163 A I H XX S+ 0 0 0 -4,-1.2 3,-2.4 -3,-0.8 4,-0.6 0.621 92.6 86.2-104.2 -11.7 30.2 42.0 32.5 110 164 A R G >< S+ 0 0 141 -4,-1.6 3,-1.8 1,-0.3 -2,-0.1 0.884 81.1 63.6 -59.2 -40.8 33.6 41.2 31.1 111 165 A P G 34 S+ 0 0 36 0, 0.0 -1,-0.3 0, 0.0 82,-0.2 0.697 101.7 52.6 -56.5 -16.3 34.4 39.0 34.1 112 166 A L G <4 S+ 0 0 72 -3,-2.4 -2,-0.2 2,-0.1 28,-0.1 0.562 90.5 90.2 -94.8 -12.5 31.5 36.7 33.0 113 167 A V S << S- 0 0 29 -3,-1.8 19,-0.1 -4,-0.6 6,-0.1 -0.777 74.7-136.2 -91.1 120.8 32.8 36.4 29.4 114 168 A P > - 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