==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 26-SEP-05 2B4W . COMPND 2 MOLECULE: HYPOTHETICAL PROTEIN, CONSERVED; . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MAJOR; . AUTHOR M.A.HOLMES,E.A.MERRITT,STRUCTURAL GENOMICS OF PATHOGENIC . 292 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12164.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 189 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 116 39.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 2.1 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 . 21 7.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 4.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.7 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 1 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 RESIDUES PER ALPHA HELIX . 1 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 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 2 3 2 3 2 1 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 3 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 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 2 A K > 0 0 133 0, 0.0 4,-1.7 0, 0.0 5,-0.1 0.000 360.0 360.0 360.0 119.2 11.5 28.7 39.1 2 3 A Q H > + 0 0 55 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.753 360.0 60.2 -68.4 -26.0 11.9 25.1 37.8 3 4 A V H > S+ 0 0 78 2,-0.2 4,-3.3 1,-0.2 -1,-0.2 0.951 103.4 48.8 -68.0 -43.3 15.5 26.2 37.5 4 5 A K H > S+ 0 0 20 2,-0.2 4,-3.3 1,-0.2 5,-0.2 0.933 110.8 49.5 -58.8 -47.2 15.7 26.8 41.2 5 6 A A H X S+ 0 0 63 -4,-1.7 4,-1.5 1,-0.2 -1,-0.2 0.906 111.7 49.6 -63.3 -36.4 14.1 23.5 42.0 6 7 A A H X S+ 0 0 46 -4,-2.0 4,-2.6 2,-0.2 3,-0.5 0.975 111.2 49.8 -62.6 -47.9 16.6 21.8 39.7 7 8 A F H X S+ 0 0 32 -4,-3.3 4,-1.1 1,-0.3 3,-0.2 0.951 108.3 51.4 -54.5 -55.6 19.4 23.6 41.4 8 9 A E H < S+ 0 0 53 -4,-3.3 -1,-0.3 1,-0.2 -2,-0.2 0.806 114.8 45.3 -49.0 -33.8 18.3 22.6 44.9 9 10 A A H < S+ 0 0 80 -4,-1.5 -1,-0.2 -3,-0.5 -2,-0.2 0.821 123.8 32.9 -78.1 -37.1 18.2 19.1 43.6 10 11 A N H < S+ 0 0 124 -4,-2.6 -2,-0.2 -3,-0.2 -1,-0.2 0.213 82.5 146.5-105.3 13.8 21.5 19.2 41.8 11 12 A K < - 0 0 76 -4,-1.1 2,-0.5 -3,-0.2 -3,-0.1 -0.134 32.4-157.4 -68.6 150.3 23.5 21.6 44.0 12 13 A R + 0 0 163 217,-0.1 267,-0.5 267,-0.1 2,-0.4 -0.811 23.0 161.0-133.0 92.4 27.3 21.0 44.3 13 14 A V - 0 0 49 -2,-0.5 265,-0.2 265,-0.1 3,-0.1 -0.967 20.0-176.9-120.1 127.0 28.7 22.5 47.5 14 15 A Y S S+ 0 0 129 263,-2.9 2,-0.3 -2,-0.4 264,-0.1 0.599 75.7 11.9-100.6 -21.2 32.1 21.5 49.0 15 16 A E E -A 277 0A 62 262,-0.7 262,-1.8 2,-0.0 -1,-0.3 -0.953 61.3-171.2-157.0 148.6 32.1 23.7 52.1 16 17 A S E +A 276 0A 47 -2,-0.3 2,-0.3 260,-0.2 260,-0.2 -0.927 19.6 147.8-155.7 114.8 29.4 25.8 53.8 17 18 A V E -A 275 0A 35 258,-2.5 258,-2.3 -2,-0.3 2,-0.4 -0.923 39.0-126.4-142.9 165.0 29.9 28.2 56.7 18 19 A L E -A 274 0A 40 -2,-0.3 256,-0.2 256,-0.2 2,-0.1 -0.951 35.2-117.0-113.0 136.7 28.6 31.4 58.2 19 20 A L - 0 0 11 254,-2.9 2,-0.4 -2,-0.4 254,-0.3 -0.427 22.1-140.2 -68.3 150.2 31.1 34.2 58.9 20 21 A T E -d 69 0B 72 48,-2.6 50,-2.3 -2,-0.1 2,-0.4 -0.935 16.7-160.6-109.9 135.1 31.6 35.2 62.5 21 22 A F E -d 70 0B 35 -2,-0.4 2,-0.3 48,-0.2 50,-0.2 -0.966 3.7-163.1-120.8 138.3 32.0 38.9 63.2 22 23 A K E +d 71 0B 98 48,-2.3 50,-2.9 -2,-0.4 -2,-0.0 -0.896 65.6 35.5-124.1 149.9 33.5 40.5 66.3 23 24 A G S S+ 0 0 54 -2,-0.3 -1,-0.1 48,-0.2 48,-0.1 0.494 100.3 79.4 84.7 7.9 33.4 44.0 67.7 24 25 A V > + 0 0 11 -3,-0.1 3,-2.0 3,-0.1 -3,-0.0 -0.100 60.8 169.7-133.4 44.1 29.8 44.6 66.6 25 26 A D T 3 + 0 0 142 1,-0.2 3,-0.1 3,-0.0 -3,-0.1 -0.163 66.7 30.3 -51.4 136.0 27.9 42.7 69.3 26 27 A G T 3 S+ 0 0 75 1,-0.3 25,-0.4 23,-0.0 2,-0.3 0.230 106.1 94.4 100.4 -21.6 24.1 43.3 69.1 27 28 A Y < - 0 0 110 -3,-2.0 -1,-0.3 23,-0.1 2,-0.3 -0.724 69.5-129.0-107.3 154.3 24.2 43.9 65.4 28 29 A D E -E 49 0B 17 21,-2.6 21,-1.9 -2,-0.3 2,-0.4 -0.693 19.9-157.4 -86.2 152.5 23.6 41.8 62.3 29 30 A V E +E 48 0B 7 242,-0.8 2,-0.3 -2,-0.3 19,-0.2 -0.992 31.7 134.5-132.4 124.3 26.3 41.9 59.6 30 31 A Y E +E 47 0B 0 17,-2.2 17,-2.2 -2,-0.4 243,-0.2 -0.843 39.4 48.3-159.5-177.3 25.3 41.0 56.0 31 32 A N S S- 0 0 3 241,-0.5 -1,-0.2 -2,-0.3 242,-0.1 0.840 75.5-177.1 30.6 62.5 25.4 41.9 52.3 32 33 A C - 0 0 4 1,-0.1 14,-0.2 50,-0.1 235,-0.1 -0.202 29.1-103.1 -73.9 168.2 29.2 42.4 52.6 33 34 A S - 0 0 1 12,-2.5 220,-0.2 1,-0.2 51,-0.2 -0.339 53.6 -83.6 -70.8 172.8 31.5 43.5 49.9 34 35 A V - 0 0 0 218,-0.4 11,-0.3 151,-0.2 -1,-0.2 -0.509 59.7 -97.7 -66.9 148.0 33.6 40.8 48.3 35 36 A P + 0 0 7 0, 0.0 2,-0.3 0, 0.0 9,-0.2 -0.294 49.9 178.3 -59.7 162.7 36.6 40.2 50.5 36 37 A F E -F 43 0B 7 7,-2.1 7,-2.8 -3,-0.1 2,-0.4 -0.879 23.3-113.7-151.2 176.3 39.9 41.9 49.4 37 38 A S E +Fg 42 293B 24 255,-2.7 257,-2.7 -2,-0.3 2,-0.3 -0.959 31.5 163.3-126.0 146.8 43.4 42.2 50.7 38 39 A Y E > -Fg 41 294B 10 3,-2.5 3,-2.5 -2,-0.4 -2,-0.0 -0.964 66.8 -0.0-156.5 139.9 45.3 45.3 52.1 39 40 A K T 3 S- 0 0 115 255,-0.6 3,-0.1 -2,-0.3 -1,-0.0 0.809 130.8 -52.3 46.8 39.4 48.5 45.7 54.2 40 41 A G T 3 S+ 0 0 79 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.521 118.1 95.9 83.3 3.7 49.0 41.9 54.3 41 42 A K E < S-F 38 0B 99 -3,-2.5 -3,-2.5 24,-0.0 2,-0.2 -0.977 73.8-115.3-134.6 150.4 45.6 41.0 55.5 42 43 A T E -F 37 0B 45 -2,-0.4 22,-3.1 -5,-0.2 2,-0.3 -0.528 42.0-179.7 -72.7 133.7 42.2 39.8 54.2 43 44 A H E -FH 36 63B 11 -7,-2.8 -7,-2.1 20,-0.2 2,-0.3 -0.852 14.1-167.2-133.4 165.8 39.5 42.4 54.9 44 45 A I E - H 0 62B 0 18,-2.7 18,-3.2 -2,-0.3 2,-0.4 -0.965 17.8-135.5-154.5 141.2 35.8 42.8 54.2 45 46 A Y E - H 0 61B 0 -2,-0.3 -12,-2.5 -11,-0.3 2,-0.3 -0.859 29.9-167.2 -92.4 138.4 33.3 45.6 54.4 46 47 A G E - H 0 60B 0 14,-2.1 14,-2.0 -2,-0.4 2,-0.6 -0.929 25.7-122.5-127.2 151.9 30.0 44.7 56.0 47 48 A R E -EH 30 59B 16 -17,-2.2 -17,-2.2 -2,-0.3 2,-0.5 -0.842 32.7-159.3 -89.2 118.5 26.5 46.2 56.3 48 49 A V E +EH 29 58B 0 10,-2.6 10,-1.5 -2,-0.6 2,-0.3 -0.926 25.0 145.2-110.6 118.1 25.8 46.6 60.0 49 50 A E E -E 28 0B 0 -21,-1.9 -21,-2.6 -2,-0.5 8,-0.2 -0.994 50.5-101.7-156.9 143.4 22.3 46.9 61.2 50 51 A K > - 0 0 93 6,-0.5 3,-1.4 -2,-0.3 -23,-0.1 -0.385 32.6-131.0 -59.1 133.0 20.0 45.9 64.1 51 52 A R T 3 S+ 0 0 89 -25,-0.4 -1,-0.1 1,-0.3 -24,-0.1 0.878 101.2 54.9 -65.6 -32.3 17.9 43.0 63.3 52 53 A D T 3 S+ 0 0 116 2,-0.0 2,-0.3 190,-0.0 -1,-0.3 0.159 103.5 60.4 -91.9 24.7 14.7 44.5 64.5 53 54 A I < - 0 0 71 -3,-1.4 3,-0.3 3,-0.0 2,-0.3 -0.998 67.0-138.6-147.4 153.5 14.8 47.7 62.4 54 55 A W S S+ 0 0 135 -2,-0.3 -4,-0.0 1,-0.2 -2,-0.0 -0.693 78.2 13.4-110.2 155.5 14.9 48.7 58.7 55 56 A A S S+ 0 0 63 -2,-0.3 -1,-0.2 1,-0.1 -6,-0.0 0.827 91.3 114.0 48.5 42.2 16.9 51.3 56.8 56 57 A A + 0 0 43 -3,-0.3 -6,-0.5 -6,-0.1 2,-0.2 -0.392 41.5 130.9-135.9 47.8 19.2 51.8 59.8 57 58 A S - 0 0 17 -8,-0.2 2,-0.3 22,-0.0 -8,-0.2 -0.669 30.6-177.1-101.7 153.9 22.6 50.6 58.5 58 59 A H E -H 48 0B 37 -10,-1.5 -10,-2.6 -2,-0.2 2,-0.5 -0.807 28.9-115.1-133.0 172.5 26.1 51.9 58.6 59 60 A V E -HI 47 78B 0 19,-3.0 19,-1.4 -2,-0.3 2,-0.3 -0.940 27.0-171.7-116.1 134.6 29.2 50.2 57.0 60 61 A R E -H 46 0B 43 -14,-2.0 -14,-2.1 -2,-0.5 2,-0.5 -0.853 21.7-126.9-115.2 158.8 32.2 48.9 58.9 61 62 A L E -H 45 0B 6 15,-0.4 12,-3.6 12,-0.4 2,-0.4 -0.935 27.9-162.6 -99.7 130.4 35.6 47.7 57.8 62 63 A F E -HJ 44 72B 0 -18,-3.2 -18,-2.7 -2,-0.5 2,-0.4 -0.940 8.6-149.6-118.8 139.5 36.6 44.2 59.1 63 64 A E E -HJ 43 71B 49 8,-2.4 8,-3.3 -2,-0.4 2,-0.2 -0.866 29.0-111.8-101.9 126.8 40.0 42.5 59.3 64 65 A E E + J 0 70B 77 -22,-3.1 6,-0.3 -2,-0.4 3,-0.1 -0.385 40.9 166.8 -53.4 121.6 40.3 38.8 59.1 65 66 A T E - 0 0 64 4,-3.0 2,-0.3 1,-0.3 5,-0.2 0.339 65.5 -4.4-125.2 15.0 41.5 37.5 62.5 66 67 A G E > S- J 0 69B 28 3,-1.1 3,-2.1 0, 0.0 -1,-0.3 -0.922 103.0 -48.2 178.4 174.4 40.8 33.8 62.0 67 68 A K T 3 S- 0 0 169 1,-0.3 3,-0.1 -2,-0.3 0, 0.0 -0.481 129.2 -12.0 -63.1 118.8 39.3 31.3 59.5 68 69 A D T 3 S+ 0 0 17 -2,-0.3 -48,-2.6 1,-0.2 2,-0.4 0.732 114.3 122.2 54.7 29.8 35.9 32.9 58.5 69 70 A E E < -dJ 20 66B 48 -3,-2.1 -4,-3.0 -50,-0.2 -3,-1.1 -0.973 39.1-177.3-126.9 127.8 36.4 35.3 61.4 70 71 A F E -dJ 21 64B 0 -50,-2.3 -48,-2.3 -2,-0.4 2,-0.5 -0.972 10.7-156.9-131.3 126.5 36.4 39.1 61.0 71 72 A T E -dJ 22 63B 42 -8,-3.3 -8,-2.4 -2,-0.4 -48,-0.2 -0.882 27.2-112.6-112.7 135.4 37.0 41.8 63.5 72 73 A A E - J 0 62B 11 -50,-2.9 -10,-0.3 -2,-0.5 3,-0.0 -0.308 27.1-125.1 -62.7 141.8 35.7 45.3 63.0 73 74 A V > - 0 0 32 -12,-3.6 3,-0.9 3,-0.1 -12,-0.4 -0.827 36.9-107.4 -88.2 122.0 38.4 48.0 62.6 74 75 A P T 3 S+ 0 0 90 0, 0.0 -1,-0.1 0, 0.0 3,-0.1 0.001 86.3 2.2 -44.9 141.8 38.0 50.7 65.2 75 76 A E T 3 S+ 0 0 194 1,-0.1 2,-0.4 -3,-0.0 -15,-0.0 0.589 94.6 111.1 61.6 26.1 36.7 54.2 64.3 76 77 A L < + 0 0 44 -3,-0.9 -15,-0.4 -15,-0.1 2,-0.3 -0.995 35.7 143.2-122.8 130.7 36.0 53.8 60.6 77 78 A S - 0 0 61 -2,-0.4 2,-0.3 -17,-0.1 -17,-0.2 -0.979 31.0-151.0-163.1 163.6 32.4 53.8 59.2 78 79 A W B -I 59 0B 34 -19,-1.4 -19,-3.0 -2,-0.3 2,-1.7 -0.988 26.8-122.5-138.1 142.1 30.3 55.0 56.3 79 80 A E S S+ 0 0 119 -2,-0.3 20,-0.3 -21,-0.2 2,-0.3 -0.584 75.7 100.2 -86.5 72.7 26.6 55.9 56.3 80 81 A L - 0 0 3 -2,-1.7 2,-0.3 18,-0.1 18,-0.2 -0.935 61.2-129.6-147.1 167.4 25.6 53.4 53.7 81 82 A E E S+K 97 0C 15 16,-1.8 16,-2.5 -2,-0.3 -22,-0.1 -0.744 79.8 15.0-108.0 160.9 24.0 50.0 53.0 82 83 A D E S- 0 0 5 -2,-0.3 -1,-0.2 14,-0.2 -50,-0.1 0.866 78.0-149.6 42.8 70.3 25.3 47.1 50.9 83 84 A P E - 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