==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-APR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER UNKNOWN FUNCTION 09-MAR-10 3M3I . COMPND 2 MOLECULE: PUTATIVE UNCHARACTERIZED PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MAJOR; . AUTHOR E.A.MERRITT,STRUCTURAL GENOMICS OF PATHOGENIC PROTOZOA . 1418 16 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 58322.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 931 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 32 2.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 481 33.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 0.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 16 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 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 . 120 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 111 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 122 8.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 17 1.2 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 1 0 0 22 1 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 . 16 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 . 6 18 14 8 15 2 16 7 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 . 8 0 0 0 16 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 10 A Q 0 0 150 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 107.1 11.9 69.6 -2.9 2 11 A N - 0 0 78 3,-0.0 2,-0.3 1,-0.0 3,-0.0 -0.021 360.0-170.3 -58.9 171.9 8.4 68.2 -2.4 3 12 A T >> - 0 0 73 133,-0.1 4,-1.1 69,-0.0 3,-0.6 -0.879 41.2 -82.3-162.1 164.8 6.4 69.0 0.7 4 13 A A H 3> S+ 0 0 18 131,-0.3 4,-2.3 -2,-0.3 5,-0.2 0.836 121.2 59.7 -54.7 -43.5 3.0 67.7 2.3 5 14 A E H 3> S+ 0 0 160 1,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.889 102.3 55.3 -51.3 -46.1 0.8 69.9 0.1 6 15 A F H <> S+ 0 0 42 -3,-0.6 4,-2.7 1,-0.2 -1,-0.2 0.916 111.5 41.4 -53.7 -51.1 2.1 68.3 -3.0 7 16 A W H X S+ 0 0 2 -4,-1.1 4,-2.0 2,-0.2 6,-0.4 0.821 113.2 52.7 -73.2 -31.8 1.3 64.8 -1.9 8 17 A I H <>S+ 0 0 46 -4,-2.3 5,-1.4 2,-0.2 4,-0.5 0.945 115.3 42.9 -67.5 -47.7 -2.1 65.7 -0.5 9 18 A K H ><5S+ 0 0 146 -4,-2.6 3,-1.3 -5,-0.2 -2,-0.2 0.989 119.2 40.7 -55.2 -62.8 -3.1 67.3 -3.8 10 19 A R H 3<5S+ 0 0 109 -4,-2.7 -2,-0.2 1,-0.3 -3,-0.2 0.812 122.1 39.1 -68.1 -33.8 -1.7 64.7 -6.1 11 20 A L T 3<5S- 0 0 18 -4,-2.0 -1,-0.3 -5,-0.2 -2,-0.2 0.318 104.1-127.3 -97.3 6.1 -2.8 61.6 -4.2 12 21 A Q T < 5 + 0 0 161 -3,-1.3 -3,-0.2 -4,-0.5 -4,-0.1 0.861 42.8 179.9 53.6 40.5 -6.1 63.2 -3.3 13 22 A L < - 0 0 9 -5,-1.4 10,-0.2 -6,-0.4 -1,-0.2 -0.432 8.3-171.7 -72.3 145.7 -5.5 62.4 0.4 14 23 A V E -A 22 0A 75 8,-2.6 8,-3.2 -2,-0.1 2,-0.1 -0.819 36.8 -71.2-128.6 170.4 -8.2 63.5 3.0 15 24 A P E -A 21 0A 96 0, 0.0 6,-0.2 0, 0.0 5,-0.1 -0.402 43.0-145.8 -67.9 142.5 -8.1 63.5 6.8 16 25 A H > - 0 0 15 4,-2.1 3,-0.9 3,-0.2 -3,-0.0 -0.797 21.4-118.8-104.5 144.3 -8.3 60.2 8.6 17 26 A P T 3 S+ 0 0 67 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.927 115.4 51.2 -45.6 -53.5 -10.1 59.7 11.9 18 27 A E T 3 S- 0 0 6 1,-0.2 39,-2.9 38,-0.1 2,-0.3 0.778 125.8 -97.1 -55.5 -30.0 -6.9 58.6 13.7 19 28 A G S < S+ 0 0 6 -3,-0.9 -3,-0.2 37,-0.2 37,-0.2 -0.792 85.0 67.2 132.8-175.1 -5.1 61.8 12.3 20 29 A G S S- 0 0 1 35,-0.4 -4,-2.1 -2,-0.3 2,-0.3 0.022 84.4 -68.3 57.7-169.7 -2.9 62.3 9.3 21 30 A Y E +AB 15 49A 66 28,-3.2 28,-2.2 -6,-0.2 2,-0.3 -0.814 53.6 156.3-123.2 153.9 -4.1 62.0 5.7 22 31 A Y E -AB 14 48A 35 -8,-3.2 -8,-2.6 -2,-0.3 2,-0.3 -0.988 23.1-160.4-161.0 168.9 -5.2 59.1 3.5 23 32 A S E - B 0 47A 23 24,-1.2 24,-1.8 -2,-0.3 2,-0.1 -0.895 30.3-113.9-157.4 144.1 -7.0 57.6 0.6 24 33 A E E + B 0 46A 110 -2,-0.3 22,-0.2 22,-0.2 3,-0.1 -0.417 33.1 171.2 -65.9 145.6 -8.2 54.1 -0.3 25 34 A V E - 0 0 55 20,-1.6 2,-0.3 1,-0.4 -1,-0.2 0.586 57.4 -1.1-120.8 -72.4 -6.5 52.6 -3.3 26 35 A V E - 0 0 6 19,-0.2 19,-2.4 1343,-0.0 -1,-0.4 -0.920 46.9-165.7-130.2 156.6 -7.4 48.9 -3.7 27 36 A R E - B 0 44A 101 1317,-1.1 17,-0.2 -2,-0.3 15,-0.0 -0.980 37.0-107.2-136.5 116.2 -9.6 46.3 -2.0 28 37 A S - 0 0 2 15,-2.1 1316,-0.1 -2,-0.4 14,-0.0 -0.062 13.7-141.5 -39.6 136.3 -9.2 42.6 -2.9 29 38 A A S S+ 0 0 70 12,-0.1 2,-0.4 2,-0.0 -1,-0.1 0.789 84.5 78.7 -66.8 -28.7 -12.0 41.1 -4.9 30 39 A H S S- 0 0 43 13,-0.0 12,-2.7 1,-0.0 2,-0.3 -0.697 72.5-147.8 -94.6 130.3 -11.7 37.9 -2.8 31 40 A K E +F 41 0B 108 -2,-0.4 2,-0.3 10,-0.2 10,-0.3 -0.709 17.9 177.5 -99.1 148.6 -13.2 37.7 0.7 32 41 A V E -F 40 0B 4 8,-3.5 8,-3.0 -2,-0.3 2,-0.5 -0.861 35.5 -96.4-139.1 168.5 -11.8 35.8 3.7 33 42 A D E -F 39 0B 79 -2,-0.3 6,-0.2 6,-0.2 5,-0.1 -0.812 41.8-145.0 -88.5 128.3 -12.5 35.1 7.4 34 43 A N > - 0 0 4 4,-2.6 3,-1.5 -2,-0.5 29,-0.1 -0.070 38.0 -78.0 -81.7-172.5 -10.4 37.4 9.7 35 44 A E T 3 S+ 0 0 72 1,-0.3 -1,-0.1 27,-0.2 28,-0.1 0.704 131.2 45.3 -60.4 -20.4 -8.9 36.6 13.1 36 45 A E T 3 S- 0 0 120 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.249 122.3 -96.9-111.3 9.7 -12.4 37.0 14.8 37 46 A G S < S+ 0 0 48 -3,-1.5 2,-0.1 1,-0.3 -2,-0.1 0.205 79.6 131.8 101.2 -14.2 -14.6 35.0 12.3 38 47 A N - 0 0 67 -5,-0.1 -4,-2.6 1,-0.1 2,-0.4 -0.416 61.9-109.3 -84.7 146.8 -15.8 37.9 10.2 39 48 A R E +F 33 0B 141 -6,-0.2 2,-0.3 -2,-0.1 -6,-0.2 -0.578 50.5 157.5 -74.2 124.1 -15.9 38.2 6.4 40 49 A R E -F 32 0B 12 -8,-3.0 -8,-3.5 -2,-0.4 2,-0.1 -0.908 48.1 -87.2-139.4 160.0 -13.3 40.8 5.2 41 50 A H E -F 31 0B 39 -2,-0.3 106,-3.6 -10,-0.3 -10,-0.2 -0.465 42.6-115.1 -62.4 145.2 -11.5 41.5 2.0 42 51 A A S S- 0 0 2 -12,-2.7 2,-0.3 104,-0.2 -1,-0.1 0.938 94.2 -11.4 -45.5 -53.3 -8.2 39.5 1.7 43 52 A Y - 0 0 2 -13,-0.2 -15,-2.1 103,-0.2 2,-0.3 -0.957 58.3-161.3-143.8 161.1 -6.4 42.8 1.9 44 53 A T E -BC 27 144A 8 100,-1.9 100,-2.2 -2,-0.3 2,-0.3 -0.965 16.9-159.8-137.4 145.8 -7.1 46.5 1.6 45 54 A T E + C 0 143A 2 -19,-2.4 -20,-1.6 -2,-0.3 2,-0.3 -0.905 10.3 176.7-128.6 159.5 -4.5 49.2 0.9 46 55 A I E -BC 24 142A 25 96,-2.3 96,-2.3 -2,-0.3 2,-0.5 -0.976 32.4-118.4-150.9 159.0 -4.1 52.9 1.4 47 56 A Y E -BC 23 141A 17 -24,-1.8 -24,-1.2 -2,-0.3 2,-0.4 -0.908 36.1-167.8 -92.0 131.4 -1.7 55.9 1.0 48 57 A F E -BC 22 140A 1 92,-2.4 92,-2.7 -2,-0.5 2,-0.4 -0.985 8.8-174.0-126.8 126.3 -1.0 57.4 4.4 49 58 A L E -BC 21 139A 0 -28,-2.2 -28,-3.2 -2,-0.4 2,-0.3 -0.944 4.3-168.5-118.7 141.7 0.7 60.7 5.1 50 59 A C E - C 0 138A 0 88,-1.8 88,-1.7 -2,-0.4 75,-0.1 -0.943 3.3-174.9-129.1 143.0 1.7 62.1 8.5 51 60 A T - 0 0 17 3,-1.0 75,-0.4 -2,-0.3 3,-0.3 -0.839 41.0-107.3-129.7 168.1 2.8 65.6 9.6 52 61 A P S S+ 0 0 57 0, 0.0 76,-0.1 0, 0.0 85,-0.1 0.846 124.4 45.6 -65.3 -31.1 4.1 67.0 12.9 53 62 A E S S+ 0 0 195 1,-0.2 -33,-0.0 75,-0.0 75,-0.0 0.588 119.2 44.5 -83.7 -13.0 0.8 68.9 13.3 54 63 A S S S+ 0 0 25 -3,-0.3 -3,-1.0 -35,-0.1 -1,-0.2 -0.542 71.6 169.1-134.7 71.0 -1.2 65.7 12.3 55 64 A P - 0 0 27 0, 0.0 2,-0.6 0, 0.0 -35,-0.4 -0.336 42.6-109.1 -69.9 160.3 0.0 62.5 14.0 56 65 A S E -G 124 0C 0 68,-1.8 68,-1.8 -37,-0.2 -37,-0.2 -0.858 42.1-137.0 -88.0 121.5 -2.0 59.3 13.9 57 66 A H E - 0 0 35 -39,-2.9 119,-0.2 -2,-0.6 65,-0.1 -0.388 35.7 -67.0 -85.0 161.2 -3.3 58.8 17.4 58 67 A L E S+ 0 0 0 117,-2.0 98,-1.8 114,-0.2 2,-0.3 -0.162 70.4 150.3 -52.1 119.3 -3.4 55.6 19.4 59 68 A H E -GH 122 155C 2 63,-2.2 63,-2.4 96,-0.2 2,-0.4 -0.881 32.4-134.0-141.8 174.3 -5.8 53.1 17.8 60 69 A R E -GH 121 154C 50 94,-2.3 94,-2.0 -2,-0.3 2,-0.2 -0.995 13.0-173.9-140.7 143.0 -6.2 49.4 17.4 61 70 A L - 0 0 11 59,-0.6 58,-0.8 -2,-0.4 92,-0.1 -0.550 26.1-135.1-116.0-178.5 -7.0 46.9 14.6 62 71 A C S S+ 0 0 17 -2,-0.2 2,-0.3 56,-0.2 -27,-0.2 0.423 86.2 54.6-119.7 -3.8 -7.6 43.2 14.7 63 72 A S S S- 0 0 3 89,-0.1 56,-0.3 54,-0.1 -2,-0.1 -0.840 95.8 -88.3-119.8 163.0 -5.4 42.3 11.6 64 73 A D E -D 145 0A 15 81,-0.7 81,-1.8 -2,-0.3 2,-0.4 -0.354 35.6-154.2 -64.0 147.3 -1.8 43.0 10.8 65 74 A E E -DE 144 116A 8 51,-2.2 51,-3.4 79,-0.2 2,-0.5 -0.983 2.8-153.9-129.6 124.0 -0.9 46.3 9.1 66 75 A T E -DE 143 115A 2 77,-2.7 77,-2.2 -2,-0.4 2,-0.5 -0.837 5.9-155.1-104.0 128.9 2.2 46.6 6.9 67 76 A W E -DE 142 114A 1 47,-3.8 47,-1.2 -2,-0.5 2,-0.5 -0.907 7.5-168.8-109.5 120.3 3.8 50.1 6.4 68 77 A M E -DE 141 113A 0 73,-2.9 73,-1.8 -2,-0.5 45,-0.2 -0.935 20.1-128.7-114.9 122.1 6.0 50.8 3.3 69 78 A Y E +D 140 0A 30 43,-2.6 71,-0.2 -2,-0.5 34,-0.1 -0.436 36.1 158.4 -69.9 132.3 8.2 54.0 3.1 70 79 A H E - 0 0 6 69,-1.9 2,-0.3 1,-0.4 70,-0.2 0.708 57.4 -21.5-117.4 -47.0 7.8 56.1 -0.2 71 80 A A E S+D 139 0A 14 68,-1.6 68,-1.8 2,-0.2 -1,-0.4 -0.984 89.5 30.4-163.2 167.4 9.0 59.6 0.6 72 81 A G E S-D 138 0A 19 -2,-0.3 66,-0.2 66,-0.2 3,-0.1 -0.297 94.7 -10.6 79.2-159.4 9.8 62.5 3.0 73 82 A D S S- 0 0 8 64,-2.5 -2,-0.2 1,-0.1 66,-0.1 -0.234 84.3 -83.9 -62.5 158.5 11.0 62.1 6.6 74 83 A P - 0 0 8 0, 0.0 2,-0.5 0, 0.0 53,-0.4 -0.391 42.4-126.6 -57.5 144.6 11.1 58.7 8.5 75 84 A L E -I 102 0C 0 27,-2.9 27,-3.4 51,-0.1 2,-0.7 -0.867 15.6-143.1 -98.3 122.6 7.8 57.8 10.1 76 85 A Q E -IJ 101 125C 35 49,-2.6 49,-2.1 -2,-0.5 2,-0.4 -0.811 14.7-159.3 -90.6 117.1 8.1 57.1 13.8 77 86 A L E -IJ 100 124C 0 23,-3.8 23,-2.5 -2,-0.7 2,-0.7 -0.830 5.3-156.0 -97.0 132.2 5.7 54.3 14.7 78 87 A H E -IJ 99 123C 0 45,-2.7 45,-1.7 -2,-0.4 2,-0.6 -0.916 20.7-177.9-110.8 102.2 4.8 54.0 18.4 79 88 A V E -IJ 98 122C 0 19,-2.6 19,-2.6 -2,-0.7 2,-0.7 -0.899 19.9-172.8-114.8 114.7 3.7 50.3 18.9 80 89 A I E -IJ 97 121C 3 41,-3.2 41,-2.2 -2,-0.6 17,-0.2 -0.926 26.3-145.7 -99.2 114.2 2.5 48.8 22.1 81 90 A L E -I 96 0C 1 15,-2.1 15,-0.6 -2,-0.7 13,-0.2 -0.562 15.5-141.4 -82.9 144.6 2.2 45.1 21.5 82 91 A K S S- 0 0 84 1,-0.3 12,-1.2 -2,-0.2 13,-0.3 0.883 95.2 -9.3 -66.5 -43.8 -0.5 42.9 23.0 83 92 A D S S- 0 0 46 10,-0.2 2,-3.1 11,-0.1 -1,-0.3 -0.943 101.0 -74.9-137.6 160.5 2.3 40.3 23.4 84 93 A P S > S+ 0 0 81 0, 0.0 3,-0.6 0, 0.0 4,-0.2 -0.218 73.5 157.9 -45.8 71.0 5.8 40.3 22.0 85 94 A Q T 3 + 0 0 59 -2,-3.1 4,-0.2 1,-0.2 33,-0.1 0.113 39.6 90.4-103.8 18.6 4.2 39.5 18.6 86 95 A D T > S+ 0 0 29 1,-0.1 3,-1.0 2,-0.1 -1,-0.2 0.820 84.4 57.6 -73.8 -35.4 6.8 40.6 16.1 87 96 A E T < S+ 0 0 148 -3,-0.6 -1,-0.1 1,-0.2 -2,-0.1 0.807 93.3 65.5 -70.8 -33.1 8.4 37.2 16.1 88 97 A D T 3 0 0 74 -4,-0.2 -1,-0.2 1193,-0.0 -2,-0.1 0.656 360.0 360.0 -65.3 -16.2 5.3 35.3 15.0 89 98 A R < 0 0 49 -3,-1.0 1194,-0.2 -4,-0.2 -3,-0.0 -0.472 360.0 360.0-117.4 360.0 5.3 37.0 11.6 90 ! 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 91 117 A R 0 0 110 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 63.6 0.4 36.6 30.7 92 118 A P - 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