==== 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 LIGASE 16-NOV-09 3KPA . COMPND 2 MOLECULE: PROBABLE UBIQUITIN FOLD MODIFIER CONJUGATING ENZY . SOURCE 2 ORGANISM_SCIENTIFIC: LEISHMANIA MAJOR; . AUTHOR G.W.HAN,I.LE TRONG,E.A.MERRITT,STRUCTURAL GENOMICS OF PATHOG . 471 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 25127.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 308 65.4 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 . 70 14.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 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 . 15 3.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 61 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 149 31.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 13 2.8 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 2 6 0 0 0 0 0 0 2 1 0 0 0 0 0 0 0 3 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 . 8 1 0 0 3 0 0 0 0 3 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 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 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 4 A S > 0 0 136 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.000 360.0 360.0 360.0 -34.0 -3.2 10.6 59.2 2 5 A V H > + 0 0 84 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.924 360.0 45.0 -59.7 -45.9 -0.5 9.7 56.5 3 6 A K H > S+ 0 0 166 1,-0.2 4,-1.0 2,-0.2 -1,-0.2 0.849 117.6 44.3 -67.5 -35.1 1.5 12.9 57.3 4 7 A E H 4 S+ 0 0 128 2,-0.2 4,-0.4 1,-0.2 -1,-0.2 0.712 108.2 56.9 -86.8 -24.4 1.2 12.4 61.1 5 8 A S H >< S+ 0 0 41 -4,-2.3 3,-1.5 2,-0.2 4,-0.3 0.948 109.7 47.2 -62.0 -50.4 2.0 8.7 60.9 6 9 A V H >< S+ 0 0 22 -4,-2.0 3,-1.2 1,-0.3 -2,-0.2 0.813 102.0 64.4 -60.9 -31.7 5.2 9.8 59.1 7 10 A S T 3< S+ 0 0 63 -4,-1.0 -1,-0.3 1,-0.3 -2,-0.2 0.662 103.8 47.8 -69.2 -16.6 5.8 12.4 61.8 8 11 A R T < S+ 0 0 169 -3,-1.5 -1,-0.3 -4,-0.4 -2,-0.2 0.359 85.2 107.5-103.0 2.0 6.2 9.6 64.4 9 12 A I S < S- 0 0 8 -3,-1.2 25,-0.1 -4,-0.3 26,-0.1 -0.670 79.8-110.2 -76.9 127.8 8.6 7.4 62.3 10 13 A P - 0 0 40 0, 0.0 2,-0.2 0, 0.0 121,-0.1 -0.298 30.4-133.7 -59.7 137.5 12.1 7.5 63.8 11 14 A L - 0 0 108 117,-0.1 2,-0.3 1,-0.0 117,-0.2 -0.520 16.2-125.3 -84.9 163.6 14.6 9.4 61.6 12 15 A L - 0 0 4 115,-1.8 15,-0.1 -2,-0.2 -1,-0.0 -0.751 14.6-165.5-113.1 154.5 18.1 8.1 60.9 13 16 A K + 0 0 167 -2,-0.3 2,-0.5 14,-0.1 114,-0.1 0.584 57.8 89.2-112.2 -17.7 21.5 9.8 61.5 14 17 A T - 0 0 16 112,-0.2 2,-1.1 12,-0.1 -2,-0.0 -0.794 57.5-152.0-105.0 127.4 24.0 7.8 59.5 15 18 A K + 0 0 83 -2,-0.5 2,-0.3 110,-0.1 9,-0.1 -0.811 52.4 116.3 -94.5 95.4 25.0 8.5 56.0 16 19 A A - 0 0 2 -2,-1.1 -2,-0.1 110,-0.1 69,-0.1 -0.965 41.4-160.5-158.9 146.5 26.1 5.1 54.7 17 20 A G > - 0 0 2 -2,-0.3 3,-2.3 67,-0.1 67,-0.1 -0.617 50.1 -73.0-116.6-174.7 25.1 2.5 52.2 18 21 A P T 3 S+ 0 0 31 0, 0.0 3,-0.4 0, 0.0 66,-0.1 0.637 123.7 57.8 -56.6 -23.7 25.9 -1.2 51.8 19 22 A R T 3 S+ 0 0 75 65,-0.4 65,-0.0 1,-0.2 66,-0.0 0.480 84.6 87.1 -81.3 -3.3 29.5 -0.8 50.7 20 23 A D S X S- 0 0 85 -3,-2.3 3,-1.8 1,-0.2 4,-0.2 0.135 73.0-153.1 -99.2 20.0 30.5 1.1 53.9 21 24 A G T >> S+ 0 0 49 -3,-0.4 4,-1.6 1,-0.3 3,-0.5 -0.237 78.0 12.8 56.2-118.5 31.4 -1.7 56.4 22 25 A D H 3> S+ 0 0 139 1,-0.2 4,-2.1 2,-0.2 -1,-0.3 0.800 128.5 55.9 -64.3 -30.4 31.0 -0.7 60.0 23 26 A K H <> S+ 0 0 106 -3,-1.8 4,-2.5 2,-0.2 -1,-0.2 0.808 104.7 53.4 -72.2 -30.3 29.0 2.4 59.1 24 27 A W H <> S+ 0 0 15 -3,-0.5 4,-2.9 -4,-0.2 -2,-0.2 0.897 107.4 51.3 -66.1 -40.7 26.5 0.3 57.1 25 28 A T H X S+ 0 0 92 -4,-1.6 4,-1.8 2,-0.2 -2,-0.2 0.934 112.0 46.2 -60.9 -47.6 26.0 -1.9 60.2 26 29 A A H X S+ 0 0 29 -4,-2.1 4,-1.5 2,-0.2 -2,-0.2 0.912 112.6 50.8 -59.9 -42.5 25.4 1.2 62.2 27 30 A R H X S+ 0 0 0 -4,-2.5 4,-2.0 1,-0.2 -2,-0.2 0.920 108.6 52.3 -59.6 -43.3 23.0 2.5 59.5 28 31 A L H X S+ 0 0 15 -4,-2.9 4,-3.2 1,-0.2 -1,-0.2 0.857 103.2 57.4 -62.8 -36.8 21.1 -0.9 59.5 29 32 A K H X S+ 0 0 155 -4,-1.8 4,-2.4 1,-0.2 -1,-0.2 0.925 109.2 45.2 -59.9 -44.3 20.6 -0.7 63.2 30 33 A E H X S+ 0 0 30 -4,-1.5 4,-2.6 2,-0.2 -2,-0.2 0.855 111.3 54.3 -64.6 -39.0 18.8 2.7 62.8 31 34 A E H X S+ 0 0 0 -4,-2.0 4,-2.8 2,-0.2 -2,-0.2 0.955 111.4 44.2 -58.5 -51.8 16.9 1.1 59.8 32 35 A Y H X S+ 0 0 89 -4,-3.2 4,-2.7 1,-0.2 -2,-0.2 0.878 113.3 51.2 -60.4 -42.4 15.7 -1.7 62.1 33 36 A A H X S+ 0 0 53 -4,-2.4 4,-1.8 -5,-0.2 -1,-0.2 0.888 112.9 45.6 -63.0 -42.1 14.9 0.7 64.9 34 37 A S H X S+ 0 0 0 -4,-2.6 4,-2.5 2,-0.2 -2,-0.2 0.942 114.5 47.9 -65.7 -48.3 12.9 2.9 62.6 35 38 A L H X S+ 0 0 16 -4,-2.8 4,-2.8 1,-0.2 5,-0.2 0.941 110.9 50.1 -57.7 -50.5 11.0 -0.0 61.0 36 39 A I H X S+ 0 0 99 -4,-2.7 4,-2.8 2,-0.2 -1,-0.2 0.915 112.3 47.1 -54.7 -47.9 10.2 -1.7 64.4 37 40 A T H X S+ 0 0 41 -4,-1.8 4,-2.8 2,-0.2 5,-0.2 0.933 112.6 50.2 -61.7 -45.7 8.8 1.6 65.8 38 41 A Y H X S+ 0 0 8 -4,-2.5 4,-2.4 2,-0.2 -2,-0.2 0.915 112.2 47.0 -58.7 -44.9 6.7 2.1 62.6 39 42 A V H X S+ 0 0 24 -4,-2.8 4,-2.7 2,-0.2 -2,-0.2 0.933 111.9 49.7 -64.1 -45.7 5.3 -1.4 62.8 40 43 A E H X S+ 0 0 117 -4,-2.8 4,-2.1 2,-0.2 -2,-0.2 0.931 111.6 49.3 -58.0 -44.1 4.5 -1.1 66.5 41 44 A H H X S+ 0 0 87 -4,-2.8 4,-1.1 1,-0.2 -1,-0.2 0.917 111.7 49.4 -61.7 -42.4 2.7 2.2 65.8 42 45 A N H <>S+ 0 0 6 -4,-2.4 5,-3.4 -5,-0.2 6,-0.4 0.903 110.7 50.1 -62.5 -41.8 0.8 0.6 62.9 43 46 A K H ><5S+ 0 0 127 -4,-2.7 3,-1.1 3,-0.2 -1,-0.2 0.868 107.7 52.7 -65.6 -36.5 -0.2 -2.4 65.1 44 47 A A H 3<5S+ 0 0 93 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.722 113.0 44.1 -75.7 -21.1 -1.5 -0.1 67.9 45 48 A S T 3<5S- 0 0 81 -4,-1.1 -1,-0.3 -3,-0.3 -2,-0.2 0.198 115.4-119.2-101.4 13.4 -3.7 1.8 65.4 46 49 A D T < 5S+ 0 0 155 -3,-1.1 -3,-0.2 1,-0.1 -2,-0.1 0.897 83.2 116.5 47.3 50.0 -4.7 -1.5 63.9 47 50 A S < + 0 0 55 -5,-3.4 -4,-0.2 -8,-0.2 2,-0.2 -0.028 30.1 153.0-131.9 28.7 -3.3 -0.5 60.5 48 51 A H + 0 0 54 -6,-0.4 3,-0.1 -5,-0.1 -9,-0.1 -0.457 8.7 163.4 -64.5 126.5 -0.5 -3.2 60.1 49 52 A W + 0 0 33 -2,-0.2 17,-2.3 1,-0.2 2,-0.3 0.279 45.6 37.4-138.0 10.8 0.0 -3.6 56.4 50 53 A F E -A 65 0A 3 15,-0.3 2,-0.4 -11,-0.0 15,-0.2 -0.981 46.8-156.0-161.4 154.2 3.3 -5.4 55.6 51 54 A H E -A 64 0A 98 13,-2.7 13,-1.9 -2,-0.3 2,-0.4 -0.989 23.4-172.2-132.6 124.1 5.8 -8.1 56.8 52 55 A L E +A 63 0A 26 -2,-0.4 2,-0.3 11,-0.2 11,-0.2 -0.931 13.2 173.8-123.7 138.6 9.4 -7.8 55.7 53 56 A E E -A 62 0A 108 9,-2.6 9,-2.4 -2,-0.4 2,-0.3 -0.836 10.8-172.1-121.7 169.2 12.5 -10.0 56.0 54 57 A S E -A 61 0A 28 -2,-0.3 7,-0.2 7,-0.2 -2,-0.0 -0.958 32.1 -89.9-148.0 169.1 15.9 -9.5 54.5 55 58 A N > - 0 0 28 5,-1.9 3,-1.2 -2,-0.3 5,-0.0 -0.226 54.9 -96.0 -64.6 167.6 19.2 -11.3 54.0 56 59 A P T 3 S+ 0 0 125 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.810 124.3 58.0 -61.4 -30.4 21.8 -10.8 56.9 57 60 A Q T 3 S- 0 0 112 1,-0.1 -29,-0.1 3,-0.0 -2,-0.0 0.605 104.7-129.1 -76.3 -13.0 23.5 -7.9 55.1 58 61 A G S < S+ 0 0 0 -3,-1.2 3,-0.1 2,-0.2 -1,-0.1 0.680 80.3 109.0 74.7 16.8 20.3 -5.9 54.9 59 62 A T + 0 0 33 1,-0.2 23,-2.8 22,-0.1 2,-0.5 0.672 69.8 48.2-102.7 -19.8 20.7 -5.4 51.2 60 63 A R E - B 0 81A 142 21,-0.2 -5,-1.9 -5,-0.0 2,-0.3 -0.988 69.5-174.1-122.3 125.0 18.0 -7.7 49.7 61 64 A W E +AB 54 80A 10 19,-3.5 19,-2.1 -2,-0.5 2,-0.3 -0.858 7.8 165.8-119.1 147.5 14.5 -7.4 51.2 62 65 A Y E +AB 53 79A 105 -9,-2.4 -9,-2.6 -2,-0.3 2,-0.3 -0.991 18.8 96.6-156.4 154.7 11.4 -9.5 50.6 63 66 A G E -AB 52 78A 13 15,-2.5 15,-2.6 -2,-0.3 2,-0.3 -0.966 59.7 -61.8 165.1-144.3 7.9 -10.2 52.0 64 67 A T E -AB 51 77A 19 -13,-1.9 -13,-2.7 -2,-0.3 2,-0.3 -0.949 26.3-167.3-135.2 160.2 4.3 -9.1 51.6 65 68 A C E -AB 50 76A 0 11,-1.8 11,-2.7 -2,-0.3 2,-0.3 -0.940 15.8-169.3-134.9 156.9 2.2 -6.0 51.8 66 69 A W E - B 0 75A 26 -17,-2.3 2,-0.3 -2,-0.3 9,-0.2 -0.975 11.9-163.0-148.8 162.2 -1.6 -5.8 51.9 67 70 A T E - B 0 74A 26 7,-2.1 7,-2.3 -2,-0.3 2,-0.4 -0.986 18.8-128.6-143.7 151.8 -4.6 -3.5 51.7 68 71 A Y E + B 0 73A 142 -2,-0.3 2,-0.3 5,-0.2 5,-0.2 -0.837 24.9 174.9-103.9 140.2 -8.3 -3.7 52.5 69 72 A Y E > S- B 0 72A 63 3,-2.1 3,-1.4 -2,-0.4 -2,-0.0 -0.961 72.7 -7.0-147.4 127.1 -11.1 -2.8 50.0 70 73 A K T 3 S- 0 0 175 -2,-0.3 3,-0.1 1,-0.3 -1,-0.0 0.827 132.0 -56.4 53.4 35.3 -14.8 -3.2 50.6 71 74 A N T 3 S+ 0 0 98 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.654 115.0 117.9 72.8 19.6 -13.9 -5.0 53.8 72 75 A E E < -B 69 0A 82 -3,-1.4 -3,-2.1 2,-0.0 2,-0.3 -0.950 61.4-123.9-125.3 142.1 -11.7 -7.6 51.9 73 76 A K E -B 68 0A 95 -2,-0.4 2,-0.5 -5,-0.2 -5,-0.2 -0.607 19.4-173.0 -86.9 132.3 -7.9 -8.3 52.1 74 77 A Y E -B 67 0A 13 -7,-2.3 -7,-2.1 -2,-0.3 2,-0.3 -0.989 11.5-171.6-123.8 116.8 -5.7 -8.2 49.1 75 78 A E E -B 66 0A 94 -2,-0.5 2,-0.4 -9,-0.2 -9,-0.2 -0.887 1.9-171.5-116.0 143.4 -2.1 -9.4 49.7 76 79 A F E -B 65 0A 5 -11,-2.7 -11,-1.8 -2,-0.3 2,-0.1 -0.989 26.3-115.9-137.0 140.4 0.9 -9.2 47.4 77 80 A E E -B 64 0A 106 -2,-0.4 2,-0.3 -13,-0.2 20,-0.3 -0.481 40.3-175.3 -68.1 142.5 4.5 -10.5 47.3 78 81 A X E +B 63 0A 3 -15,-2.6 -15,-2.5 17,-0.2 2,-0.3 -0.975 12.0 170.7-142.3 152.4 7.0 -7.7 47.4 79 82 A N E +BC 62 94A 65 15,-1.7 15,-2.9 -2,-0.3 2,-0.3 -0.985 3.1 173.8-156.6 153.7 10.8 -7.3 47.2 80 83 A F E -B 61 0A 3 -19,-2.1 -19,-3.5 -2,-0.3 2,-0.3 -0.961 20.2-140.5-159.5 147.0 13.5 -4.7 46.9 81 84 A D E -B 60 0A 86 11,-0.4 11,-0.4 -2,-0.3 -21,-0.2 -0.771 27.8-118.9 -99.5 154.1 17.2 -4.4 46.9 82 85 A I - 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