==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 23-NOV-09 3KSV . COMPND 2 MOLECULE: UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MAJOR; . AUTHOR G.W.HAN,E.A.MERRITT,STRUCTURAL GENOMICS OF PATHOGENIC PROTOZ . 141 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9726.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 87 61.7 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 . 22 15.6 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 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 . 13 9.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 10 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 35 24.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.4 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 1 0 0 0 0 0 0 0 0 1 0 0 1 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 2 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 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 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 M 0 0 135 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 83.1 -23.6 -15.5 -19.9 2 2 A A > + 0 0 51 2,-0.1 3,-1.0 1,-0.1 6,-0.1 0.684 360.0 61.9 -72.9 -28.0 -22.3 -12.7 -17.6 3 3 A A T 3 S+ 0 0 73 1,-0.2 -1,-0.1 5,-0.1 6,-0.0 0.954 110.7 35.2 -60.0 -52.6 -25.4 -13.8 -15.6 4 4 A N T 3 S+ 0 0 106 4,-0.0 2,-0.7 5,-0.0 -1,-0.2 -0.066 92.5 115.4 -92.1 31.6 -24.1 -17.3 -15.1 5 5 A C <> - 0 0 0 -3,-1.0 4,-1.9 1,-0.1 3,-0.5 -0.882 53.1-158.7-104.3 108.7 -20.4 -16.1 -14.8 6 6 A I H > S+ 0 0 84 -2,-0.7 4,-2.0 1,-0.2 -1,-0.1 0.766 91.0 55.3 -58.0 -27.3 -19.1 -16.8 -11.3 7 7 A F H > S+ 0 0 10 2,-0.2 4,-2.8 1,-0.2 -1,-0.2 0.893 106.6 49.7 -76.4 -36.3 -16.3 -14.2 -11.7 8 8 A C H > S+ 0 0 24 -3,-0.5 4,-2.4 2,-0.2 6,-0.3 0.887 109.0 54.0 -61.2 -37.3 -18.9 -11.5 -12.5 9 9 A K H X>S+ 0 0 72 -4,-1.9 5,-2.2 2,-0.2 6,-1.1 0.931 111.8 44.0 -62.8 -45.1 -20.8 -12.7 -9.4 10 10 A I H ><5S+ 0 0 26 -4,-2.0 3,-0.8 4,-0.2 -2,-0.2 0.935 113.0 52.7 -60.0 -46.6 -17.6 -12.2 -7.3 11 11 A I H 3<5S+ 0 0 48 -4,-2.8 -2,-0.2 1,-0.3 -1,-0.2 0.876 112.5 42.5 -62.9 -40.1 -16.9 -8.9 -8.9 12 12 A K H 3<5S- 0 0 101 -4,-2.4 -1,-0.3 -5,-0.1 -2,-0.2 0.534 118.4-108.9 -84.0 -8.9 -20.4 -7.4 -8.3 13 13 A G T <<5S+ 0 0 59 -3,-0.8 -3,-0.2 -4,-0.7 -2,-0.1 0.573 83.6 122.5 92.5 13.1 -20.5 -8.8 -4.7 14 14 A D S S- 0 0 10 75,-0.2 3,-1.5 70,-0.0 -1,-0.2 -0.962 98.7 -73.9-158.5 161.0 -1.0 -26.3 -5.3 37 37 A R T 3 S+ 0 0 232 -2,-0.3 70,-0.0 1,-0.2 -2,-0.0 -0.463 118.1 23.1 -63.8 127.3 -0.9 -24.3 -2.1 38 38 A G T 3 S+ 0 0 30 1,-0.3 -1,-0.2 -2,-0.2 2,-0.2 0.483 80.3 158.0 92.3 3.4 -0.9 -20.5 -2.9 39 39 A H < + 0 0 5 -3,-1.5 -8,-2.5 -8,-0.1 -1,-0.3 -0.457 19.0 179.3 -58.4 123.8 -2.6 -20.8 -6.3 40 40 A M E -BC 30 103A 6 63,-2.2 63,-2.8 -10,-0.3 2,-0.3 -0.799 22.1-134.9-131.7 170.5 -4.2 -17.5 -7.2 41 41 A L E -BC 29 102A 6 -12,-2.9 -12,-1.8 -2,-0.3 2,-0.4 -0.950 4.9-163.0-128.5 141.6 -6.1 -15.8 -9.9 42 42 A V E +BC 28 101A 0 59,-2.1 59,-2.7 -2,-0.3 -14,-0.2 -0.990 22.7 174.2-124.3 122.2 -5.9 -12.4 -11.6 43 43 A I E -B 27 0A 0 -16,-3.0 -16,-2.8 -2,-0.4 2,-0.2 -0.920 32.4-116.0-127.2 149.1 -9.0 -11.3 -13.6 44 44 A P E -B 26 0A 0 0, 0.0 -18,-0.3 0, 0.0 4,-0.2 -0.581 21.8-133.3 -73.0 148.2 -10.2 -8.2 -15.4 45 45 A K S S+ 0 0 59 -20,-2.7 -19,-0.1 -2,-0.2 2,-0.1 0.867 87.7 85.8 -65.7 -35.2 -13.2 -6.5 -14.0 46 46 A E S S- 0 0 78 -21,-0.6 2,-1.7 1,-0.1 53,-0.2 -0.391 92.3-116.4 -64.5 138.1 -14.7 -6.4 -17.5 47 47 A H + 0 0 60 51,-0.1 2,-0.5 -2,-0.1 -1,-0.1 -0.629 51.3 159.3 -77.7 86.4 -16.5 -9.5 -18.7 48 48 A A - 0 0 2 -2,-1.7 51,-2.7 -4,-0.2 6,-0.1 -0.954 30.0-158.5-103.0 126.2 -14.2 -10.5 -21.5 49 49 A S S S+ 0 0 36 -2,-0.5 2,-0.3 49,-0.3 40,-0.3 0.861 77.2 20.1 -73.3 -34.8 -14.6 -14.2 -22.4 50 50 A C S > S- 0 0 21 38,-0.1 3,-2.0 47,-0.1 4,-0.3 -0.901 84.3-109.0-132.7 161.5 -11.2 -14.5 -24.1 51 51 A L G > S+ 0 0 72 -2,-0.3 3,-1.5 1,-0.3 -1,-0.1 0.829 114.8 62.4 -62.6 -32.3 -8.0 -12.4 -24.0 52 52 A H G 3 S+ 0 0 161 1,-0.3 -1,-0.3 -3,-0.0 36,-0.0 0.570 99.0 56.6 -71.1 -9.3 -8.5 -11.0 -27.5 53 53 A E G < S+ 0 0 105 -3,-2.0 -1,-0.3 2,-0.1 -2,-0.2 0.486 84.9 107.5 -95.9 -4.9 -11.8 -9.4 -26.3 54 54 A L S < S- 0 0 15 -3,-1.5 2,-0.1 -4,-0.3 5,-0.0 -0.484 75.1-112.8 -78.5 140.1 -10.0 -7.4 -23.5 55 55 A G > - 0 0 23 -2,-0.2 4,-1.9 1,-0.1 5,-0.1 -0.346 21.7-119.3 -68.4 152.4 -9.5 -3.6 -23.9 56 56 A M H > S+ 0 0 104 1,-0.2 4,-2.0 2,-0.2 5,-0.1 0.893 115.4 48.6 -62.0 -40.5 -6.0 -2.3 -24.4 57 57 A E H > S+ 0 0 146 1,-0.2 4,-1.9 2,-0.2 -1,-0.2 0.886 112.6 49.4 -65.6 -38.3 -6.2 -0.1 -21.2 58 58 A D H > S+ 0 0 9 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.788 107.9 55.2 -67.5 -32.2 -7.5 -3.2 -19.3 59 59 A A H X S+ 0 0 41 -4,-1.9 4,-2.5 2,-0.2 -2,-0.2 0.903 106.6 49.7 -68.9 -41.2 -4.6 -5.2 -20.7 60 60 A A H X S+ 0 0 66 -4,-2.0 4,-1.9 1,-0.2 -2,-0.2 0.940 113.8 45.5 -61.8 -46.4 -2.1 -2.7 -19.3 61 61 A D H X S+ 0 0 34 -4,-1.9 4,-2.4 2,-0.2 -2,-0.2 0.861 113.6 48.8 -66.1 -40.1 -3.7 -2.9 -15.9 62 62 A V H X S+ 0 0 4 -4,-2.1 4,-2.7 2,-0.2 -1,-0.2 0.906 109.6 52.6 -67.9 -40.5 -4.0 -6.7 -15.9 63 63 A G H X S+ 0 0 39 -4,-2.5 4,-1.9 2,-0.2 -2,-0.2 0.906 111.7 46.9 -58.3 -42.8 -0.3 -7.0 -17.0 64 64 A V H X S+ 0 0 76 -4,-1.9 4,-2.1 2,-0.2 -2,-0.2 0.934 113.4 46.7 -66.6 -47.9 0.8 -4.8 -14.1 65 65 A L H X S+ 0 0 6 -4,-2.4 4,-2.8 1,-0.2 -2,-0.2 0.863 110.3 54.8 -62.2 -36.9 -1.4 -6.7 -11.5 66 66 A L H X S+ 0 0 30 -4,-2.7 4,-2.4 2,-0.2 -1,-0.2 0.922 109.1 47.1 -60.4 -44.6 -0.1 -10.0 -12.9 67 67 A A H X S+ 0 0 38 -4,-1.9 4,-1.2 2,-0.2 -2,-0.2 0.887 113.4 48.3 -64.0 -41.3 3.5 -8.9 -12.4 68 68 A K H X S+ 0 0 129 -4,-2.1 4,-1.5 2,-0.2 3,-0.3 0.930 111.2 50.0 -65.1 -46.4 2.7 -7.7 -8.8 69 69 A A H X S+ 0 0 6 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.876 105.6 57.2 -58.7 -42.0 0.9 -10.9 -8.0 70 70 A S H X S+ 0 0 21 -4,-2.4 4,-2.3 1,-0.2 -1,-0.2 0.845 103.8 53.3 -58.4 -34.0 4.0 -12.9 -9.3 71 71 A R H X S+ 0 0 175 -4,-1.2 4,-0.8 -3,-0.3 -1,-0.2 0.897 109.6 48.6 -68.7 -37.6 6.1 -11.1 -6.8 72 72 A A H >< S+ 0 0 68 -4,-1.5 3,-0.8 1,-0.2 -2,-0.2 0.942 114.4 45.8 -61.8 -46.2 3.7 -12.2 -4.0 73 73 A V H 3< S+ 0 0 17 -4,-2.7 -2,-0.2 1,-0.2 -1,-0.2 0.821 101.7 64.4 -70.4 -31.7 3.8 -15.7 -5.3 74 74 A A H 3< S- 0 0 15 -4,-2.3 6,-2.5 -5,-0.2 -1,-0.2 0.751 105.4-140.3 -66.6 -21.9 7.6 -15.8 -5.6 75 75 A G X< - 0 0 25 -3,-0.8 3,-0.7 -4,-0.8 -1,-0.2 -0.161 32.2 -47.9 93.6 177.9 7.6 -15.4 -1.8 76 76 A P T 3 S+ 0 0 148 0, 0.0 -1,-0.2 0, 0.0 -2,-0.1 0.832 141.0 29.2 -59.3 -34.8 9.7 -13.4 0.7 77 77 A D T 3 S- 0 0 127 -3,-0.2 -2,-0.2 0, 0.0 -3,-0.0 0.349 108.2-117.9-105.7 3.1 13.0 -14.4 -0.8 78 78 A G S < S+ 0 0 48 -3,-0.7 -3,-0.2 -7,-0.2 -4,-0.1 0.650 78.5 122.0 74.8 18.3 11.8 -14.9 -4.4 79 79 A S + 0 0 83 -5,-0.2 2,-0.5 2,-0.1 -4,-0.2 0.477 36.5 107.4 -92.1 -5.5 12.6 -18.6 -4.5 80 80 A M - 0 0 69 -6,-2.5 2,-0.2 25,-0.0 27,-0.1 -0.663 59.5-146.9 -82.4 126.0 9.2 -20.0 -5.3 81 81 A Q E +D 106 0A 143 25,-0.5 25,-2.7 -2,-0.5 2,-0.3 -0.487 26.0 168.5 -85.5 158.7 8.8 -21.2 -8.8 82 82 A Y E -D 105 0A 86 23,-0.3 2,-0.4 -2,-0.2 -8,-0.0 -0.995 30.4-126.9-166.6 158.5 5.4 -20.9 -10.6 83 83 A N E -D 104 0A 50 21,-2.4 21,-3.2 -2,-0.3 2,-0.5 -0.927 13.0-150.6-115.7 140.7 3.5 -21.1 -13.8 84 84 A V E +D 103 0A 69 -2,-0.4 2,-0.4 19,-0.2 19,-0.2 -0.963 24.9 175.7-107.1 126.1 1.2 -18.4 -15.3 85 85 A L E +D 102 0A 53 17,-2.0 17,-3.2 -2,-0.5 2,-0.4 -0.996 15.4 177.4-137.6 131.4 -1.6 -19.9 -17.4 86 86 A Q E -D 101 0A 31 -2,-0.4 2,-0.3 15,-0.2 15,-0.1 -0.971 17.0-153.4-139.2 123.4 -4.6 -18.3 -19.1 87 87 A N - 0 0 23 13,-0.5 2,-0.5 -2,-0.4 13,-0.3 -0.744 8.8-168.2-106.8 140.1 -7.0 -20.4 -21.1 88 88 A N + 0 0 58 -2,-0.3 -38,-0.1 1,-0.1 3,-0.1 -0.874 62.3 9.1-133.9 94.0 -9.1 -19.3 -24.1 89 89 A G S >S- 0 0 27 -2,-0.5 5,-2.4 -40,-0.3 3,-0.4 -0.006 80.1 -98.0 109.8 145.2 -11.8 -21.7 -25.2 90 90 A S T > 5S+ 0 0 107 1,-0.3 3,-1.2 3,-0.2 -1,-0.1 0.780 125.1 56.4 -70.4 -25.1 -13.2 -24.9 -23.7 91 91 A L T 3 5S+ 0 0 172 1,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.824 105.6 54.3 -68.0 -28.7 -11.0 -27.0 -26.0 92 92 A A T 3 5S- 0 0 42 -3,-0.4 -1,-0.2 2,-0.1 -2,-0.2 0.226 129.6-101.9 -91.2 16.5 -8.2 -25.0 -24.4 93 93 A H T < 5S+ 0 0 158 -3,-1.2 2,-0.5 1,-0.3 -3,-0.2 0.637 71.1 150.2 73.6 19.4 -9.4 -26.0 -21.0 94 94 A Q < + 0 0 15 -5,-2.4 -1,-0.3 1,-0.2 -2,-0.1 -0.702 14.1 170.5 -81.0 129.0 -11.2 -22.7 -20.2 95 95 A E + 0 0 183 -2,-0.5 -1,-0.2 1,-0.3 -5,-0.1 0.846 62.8 51.8-105.3 -61.2 -14.1 -23.5 -17.8 96 96 A V S S- 0 0 21 2,-0.1 2,-1.9 1,-0.1 -1,-0.3 -0.696 85.0-131.9 -78.1 127.3 -15.5 -20.1 -16.6 97 97 A P S S+ 0 0 37 0, 0.0 2,-0.3 0, 0.0 -47,-0.1 -0.270 78.8 90.0 -78.3 53.1 -16.1 -17.9 -19.7 98 98 A H S S- 0 0 0 -2,-1.9 -49,-0.3 -49,-0.1 -2,-0.1 -0.983 89.9 -96.9-147.2 132.7 -14.3 -14.8 -18.2 99 99 A V + 0 0 0 -51,-2.7 2,-0.3 -2,-0.3 -51,-0.1 -0.285 51.1 168.4 -55.1 128.0 -10.5 -14.1 -18.7 100 100 A H - 0 0 10 -13,-0.3 2,-0.6 -57,-0.2 -13,-0.5 -0.950 26.2-149.1-146.1 128.8 -8.5 -15.3 -15.7 101 101 A F E -CD 42 86A 26 -59,-2.7 -59,-2.1 -2,-0.3 2,-0.4 -0.860 15.3-149.0 -91.6 120.1 -4.8 -15.7 -15.3 102 102 A H E -CD 41 85A 26 -17,-3.2 -17,-2.0 -2,-0.6 2,-0.5 -0.753 6.7-163.8 -82.6 135.1 -3.8 -18.6 -12.9 103 103 A I E -CD 40 84A 0 -63,-2.8 -63,-2.2 -2,-0.4 -19,-0.2 -0.964 18.8-172.7-115.8 108.2 -0.5 -18.0 -11.0 104 104 A I E - D 0 83A 2 -21,-3.2 -21,-2.4 -2,-0.5 9,-0.2 -0.907 19.3-133.6-116.6 110.4 0.3 -21.5 -9.8 105 105 A P E - D 0 82A 6 0, 0.0 2,-0.6 0, 0.0 -23,-0.3 -0.321 10.5-151.8 -58.0 138.5 3.2 -22.3 -7.3 106 106 A K E + D 0 81A 67 -25,-2.7 -25,-0.5 6,-0.1 6,-0.1 -0.857 34.8 151.7-115.6 90.0 5.4 -25.2 -8.4 107 107 A T + 0 0 82 -2,-0.6 2,-0.3 1,-0.2 -1,-0.1 0.745 63.6 22.1 -86.1 -20.5 6.6 -26.5 -5.1 108 108 A D > - 0 0 80 3,-0.2 3,-0.6 -3,-0.2 -1,-0.2 -0.945 66.9-121.4-155.1 147.5 7.0 -30.0 -6.3 109 109 A E T 3 S+ 0 0 194 -2,-0.3 -1,-0.1 1,-0.2 -2,-0.0 0.877 118.8 48.2 -60.6 -35.2 7.5 -32.4 -9.2 110 110 A K T 3 S+ 0 0 62 -3,-0.0 2,-0.2 4,-0.0 -1,-0.2 0.506 113.7 44.5 -87.5 -7.3 4.2 -34.1 -8.0 111 111 A T S < S+ 0 0 48 -3,-0.6 -3,-0.2 2,-0.1 -75,-0.2 -0.742 85.3 37.4-131.6 178.0 2.1 -30.9 -7.6 112 112 A G S S- 0 0 6 -77,-1.8 2,-0.2 -2,-0.2 -6,-0.1 -0.279 103.9 -6.6 74.9-162.1 1.2 -27.6 -9.4 113 113 A L - 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