==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=31-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER STRUCTURAL GENOMICS, UNKNOWN FUNCTION 19-MAY-06 2H2Y . COMPND 2 MOLECULE: UBIQUITIN-CONJUGATING ENZYME; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM 3D7; . AUTHOR W.QIU,A.DONG,Y.ZHAO,J.LEW,I.KOZIERADSKI,E.SUNDARARAJAN, . 471 4 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23878.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 291 61.8 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 . 92 19.5 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 . 4 0.8 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 . 46 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 56 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 91 19.3 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+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 0 0 0 0 5 2 1 0 0 0 0 0 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 . 9 0 0 5 3 1 3 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 3 2 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 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 3 A K 0 0 177 0, 0.0 3,-0.3 0, 0.0 32,-0.2 0.000 360.0 360.0 360.0 75.7 -18.1 -7.0 20.1 2 4 A P + 0 0 54 0, 0.0 224,-0.1 0, 0.0 31,-0.0 0.389 360.0 82.4 -66.7-158.0 -15.7 -7.9 23.0 3 5 A S - 0 0 6 35,-0.1 37,-0.2 29,-0.1 29,-0.1 0.262 68.7-141.3 76.9 -6.2 -12.7 -6.1 24.4 4 6 A R - 0 0 122 -3,-0.3 2,-0.2 27,-0.1 226,-0.1 -0.168 30.4-100.8 49.4-149.3 -14.4 -3.6 26.8 5 7 A T - 0 0 38 224,-0.3 3,-0.1 1,-0.1 -1,-0.1 -0.674 26.0-166.4-175.2 116.4 -12.6 -0.2 26.7 6 8 A V S S- 0 0 102 1,-0.3 2,-0.3 34,-0.2 -1,-0.1 0.985 78.7 -5.5 -70.3 -63.3 -10.0 1.5 29.0 7 9 A E S S- 0 0 70 35,-0.0 2,-0.6 0, 0.0 -1,-0.3 -0.992 74.0-121.5-137.2 145.6 -10.0 5.1 27.8 8 10 A K + 0 0 105 -2,-0.3 4,-0.4 1,-0.2 -3,-0.0 -0.790 42.1 155.0-103.1 120.9 -11.8 6.7 24.9 9 11 A H S S+ 0 0 19 -2,-0.6 -1,-0.2 2,-0.2 15,-0.1 0.241 79.7 83.8-104.4 -3.8 -10.3 8.5 21.9 10 12 A I S S+ 0 0 51 1,-0.1 -1,-0.1 -3,-0.1 -2,-0.1 0.799 84.9 54.6 -67.0 -32.1 -13.6 7.2 20.5 11 13 A K S S+ 0 0 167 2,-0.1 -2,-0.2 0, 0.0 -1,-0.1 1.000 84.7 89.8 -65.0 -70.8 -15.2 10.3 22.1 12 14 A T S S- 0 0 54 -4,-0.4 2,-0.7 1,-0.1 -3,-0.0 0.126 80.8-123.9 -32.0 130.9 -13.1 13.0 20.5 13 15 A K - 0 0 184 3,-0.0 2,-0.4 0, 0.0 -1,-0.1 -0.765 26.5-157.7 -87.5 116.1 -14.5 14.2 17.2 14 16 A Y - 0 0 41 -2,-0.7 0, 0.0 1,-0.1 0, 0.0 -0.811 33.2 -89.5 -99.8 134.9 -11.9 13.9 14.5 15 17 A N > - 0 0 115 -2,-0.4 2,-2.2 1,-0.2 3,-2.0 -0.061 40.5-117.1 -39.2 125.6 -12.2 16.0 11.3 16 18 A L T 3 S+ 0 0 137 1,-0.3 -1,-0.2 5,-0.1 -2,-0.0 0.099 110.0 35.1 -61.1 29.8 -14.3 14.1 8.8 17 19 A G T 3 S+ 0 0 68 -2,-2.2 -1,-0.3 0, 0.0 2,-0.1 0.364 92.4 105.9-159.5 -3.1 -11.3 13.9 6.4 18 20 A N S <> S- 0 0 91 -3,-2.0 4,-1.3 1,-0.1 3,-0.4 -0.379 77.0-110.1 -88.1 165.8 -8.1 13.5 8.5 19 21 A A H > S+ 0 0 21 1,-0.2 4,-2.1 2,-0.2 5,-0.1 0.844 117.2 58.7 -60.0 -38.0 -5.8 10.6 9.2 20 22 A N H > S+ 0 0 39 2,-0.2 4,-3.6 1,-0.2 5,-0.2 0.888 98.6 60.4 -60.4 -39.1 -7.0 10.4 12.8 21 23 A Y H > S+ 0 0 84 -3,-0.4 4,-2.6 -6,-0.3 -1,-0.2 0.963 108.1 41.9 -52.0 -59.1 -10.5 9.9 11.6 22 24 A R H X S+ 0 0 48 -4,-1.3 4,-2.3 1,-0.2 -1,-0.2 0.880 114.4 53.0 -57.1 -39.4 -9.6 6.7 9.8 23 25 A I H X S+ 0 0 0 -4,-2.1 4,-2.0 2,-0.2 -1,-0.2 0.931 109.3 48.4 -62.7 -45.0 -7.4 5.6 12.8 24 26 A Q H X S+ 0 0 29 -4,-3.6 4,-2.2 1,-0.2 -2,-0.2 0.916 110.0 51.7 -61.4 -41.7 -10.4 6.2 15.1 25 27 A K H X S+ 0 0 113 -4,-2.6 4,-1.7 -5,-0.2 -1,-0.2 0.902 110.1 50.6 -62.0 -37.8 -12.6 4.2 12.8 26 28 A E H X S+ 0 0 5 -4,-2.3 4,-1.6 -5,-0.2 -1,-0.2 0.823 107.0 54.0 -68.3 -32.9 -9.9 1.4 12.9 27 29 A L H X S+ 0 0 7 -4,-2.0 4,-2.3 2,-0.2 5,-0.2 0.965 107.3 49.7 -65.6 -52.2 -9.8 1.5 16.7 28 30 A N H X S+ 0 0 60 -4,-2.2 4,-2.3 1,-0.3 -2,-0.2 0.876 111.0 49.3 -54.3 -43.2 -13.6 1.0 17.1 29 31 A N H X S+ 0 0 20 -4,-1.7 4,-3.1 1,-0.2 -1,-0.3 0.889 108.6 54.9 -65.3 -34.7 -13.5 -2.0 14.7 30 32 A F H < S+ 0 0 0 -4,-1.6 -2,-0.2 1,-0.2 -1,-0.2 0.913 109.6 45.4 -64.3 -42.0 -10.6 -3.3 16.7 31 33 A L H < S+ 0 0 20 -4,-2.3 -1,-0.2 1,-0.2 -2,-0.2 0.889 118.1 44.4 -66.8 -39.1 -12.7 -3.2 19.9 32 34 A K H < S+ 0 0 107 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.841 127.0 26.7 -75.2 -36.3 -15.7 -4.8 18.1 33 35 A N S < S- 0 0 24 -4,-3.1 -1,-0.2 -32,-0.2 -2,-0.1 -0.511 81.9-174.0-127.6 66.1 -13.8 -7.5 16.2 34 36 A P - 0 0 22 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.250 32.1-110.2 -61.8 141.7 -10.7 -8.3 18.3 35 37 A P > - 0 0 1 0, 0.0 3,-1.3 0, 0.0 219,-0.1 -0.598 58.6 -76.9 -72.7 134.5 -8.2 -10.7 16.8 36 38 A I T 3 S+ 0 0 27 -2,-0.3 21,-0.1 1,-0.2 3,-0.1 0.134 113.7 3.3 -32.9 137.7 -8.3 -13.9 18.8 37 39 A N T 3 S+ 0 0 66 1,-0.2 18,-2.4 -3,-0.1 2,-0.3 0.702 102.2 122.1 52.1 29.4 -6.5 -13.7 22.2 38 40 A C E < -A 54 0A 5 -3,-1.3 2,-0.2 16,-0.2 16,-0.2 -0.879 36.4-176.4-119.0 152.7 -5.6 -10.0 21.9 39 41 A T E -A 53 0A 30 14,-1.5 14,-1.2 -2,-0.3 2,-0.3 -0.716 16.7-144.8-129.6-179.7 -6.3 -7.0 24.1 40 42 A I E +A 52 0A 31 -2,-0.2 2,-0.2 -37,-0.2 -34,-0.2 -0.971 21.9 177.9-151.5 166.3 -5.5 -3.4 23.4 41 43 A D E -A 51 0A 79 10,-0.5 10,-1.4 -2,-0.3 2,-0.3 -0.757 16.8-151.0-169.5 120.0 -4.4 -0.0 24.8 42 44 A V E -A 50 0A 6 -2,-0.2 8,-0.2 -35,-0.2 5,-0.1 -0.658 34.3 -93.8 -97.8 154.7 -3.7 3.2 23.0 43 45 A H > - 0 0 84 6,-2.5 3,-1.4 3,-0.5 2,-0.3 -0.372 43.8-114.4 -62.5 134.6 -1.3 5.9 24.2 44 46 A P T 3 S+ 0 0 74 0, 0.0 -1,-0.1 0, 0.0 -35,-0.0 -0.611 101.2 12.8 -75.5 131.3 -3.1 8.6 26.1 45 47 A S T 3 S+ 0 0 117 -2,-0.3 2,-0.1 -3,-0.0 -2,-0.1 0.629 122.3 71.8 78.8 15.2 -3.0 12.0 24.2 46 48 A N X + 0 0 53 -3,-1.4 3,-1.3 3,-0.1 -3,-0.5 -0.593 50.4 179.5-161.8 93.2 -1.8 10.2 21.1 47 49 A I T 3 S+ 0 0 4 1,-0.2 -1,-0.1 -2,-0.1 -38,-0.1 0.685 77.4 76.5 -70.9 -16.2 -4.2 8.0 19.1 48 50 A R T 3 S+ 0 0 61 1,-0.1 25,-2.1 24,-0.1 2,-0.6 0.696 86.1 69.8 -67.0 -21.2 -1.4 7.3 16.6 49 51 A I E < + B 0 72A 34 -3,-1.3 -6,-2.5 23,-0.2 2,-0.3 -0.889 60.0 170.8-109.7 119.3 0.3 4.8 19.0 50 52 A W E -AB 42 71A 0 21,-2.6 21,-2.8 -2,-0.6 2,-0.4 -0.878 17.0-162.4-121.2 154.4 -1.2 1.5 19.9 51 53 A I E -AB 41 70A 55 -10,-1.4 -10,-0.5 -2,-0.3 2,-0.3 -0.933 9.6-168.8-138.2 109.9 0.1 -1.5 21.8 52 54 A V E -AB 40 69A 0 17,-2.8 17,-3.1 -2,-0.4 2,-0.5 -0.749 9.0-151.0 -96.8 144.7 -1.7 -4.8 21.3 53 55 A Q E -AB 39 68A 56 -14,-1.2 -14,-1.5 -2,-0.3 2,-0.5 -0.981 9.6-163.5-121.4 122.8 -0.9 -7.7 23.6 54 56 A Y E -AB 38 67A 0 13,-2.9 13,-2.3 -2,-0.5 2,-0.8 -0.921 7.3-154.3-110.4 119.9 -1.3 -11.2 22.2 55 57 A V E - B 0 66A 23 -18,-2.4 11,-0.2 -2,-0.5 9,-0.2 -0.820 37.8-103.5 -95.3 109.2 -1.5 -14.3 24.5 56 58 A G - 0 0 1 9,-1.0 8,-2.4 -2,-0.8 4,-0.1 0.110 35.0-107.0 -35.1 127.5 -0.3 -17.4 22.6 57 59 A L > - 0 0 3 6,-0.2 3,-1.4 1,-0.1 5,-0.3 -0.346 23.8-129.3 -58.9 130.8 -3.0 -19.7 21.4 58 60 A E T 3 S+ 0 0 137 1,-0.3 2,-0.3 5,-0.2 5,-0.3 0.851 105.9 61.3 -52.0 -39.5 -3.0 -22.9 23.5 59 61 A N T 3 S+ 0 0 78 201,-0.2 2,-0.3 202,-0.1 -1,-0.3 0.016 99.3 72.7 -80.9 31.0 -2.9 -25.1 20.3 60 62 A T S X S- 0 0 23 -3,-1.4 3,-2.8 -2,-0.3 69,-0.1 -0.964 93.5-105.6-141.7 159.9 0.4 -23.6 19.2 61 63 A I T 3 S+ 0 0 78 70,-0.3 -3,-0.1 -2,-0.3 68,-0.1 0.599 121.3 58.6 -60.2 -6.1 4.1 -23.7 20.1 62 64 A Y T > S+ 0 0 5 -5,-0.3 3,-2.2 66,-0.1 -6,-0.3 0.283 77.6 158.7-105.8 9.8 3.5 -20.2 21.5 63 65 A A T < S- 0 0 33 -3,-2.8 -6,-0.2 -5,-0.3 -7,-0.2 0.032 70.6 -10.1 -38.5 130.4 0.8 -21.3 24.0 64 66 A N T 3 S+ 0 0 97 -8,-2.4 2,-0.9 -9,-0.2 -1,-0.3 0.522 94.0 132.6 54.5 11.9 0.3 -18.9 26.9 65 67 A E < - 0 0 86 -3,-2.2 -9,-1.0 -8,-0.1 2,-0.2 -0.801 53.6-136.9 -97.0 103.5 3.4 -16.8 26.2 66 68 A V E +B 55 0A 69 -2,-0.9 2,-0.3 -11,-0.2 -11,-0.2 -0.360 27.9 177.0 -62.8 125.7 2.4 -13.2 26.3 67 69 A Y E -B 54 0A 24 -13,-2.3 -13,-2.9 -2,-0.2 2,-0.4 -0.934 18.5-141.1-128.6 151.0 3.8 -11.0 23.5 68 70 A K E -B 53 0A 90 -2,-0.3 19,-2.5 19,-0.3 2,-0.5 -0.917 8.4-165.1-117.1 142.8 3.3 -7.3 22.6 69 71 A I E -BC 52 86A 0 -17,-3.1 -17,-2.8 -2,-0.4 17,-0.3 -0.976 11.4-152.7-126.7 114.4 2.9 -5.8 19.2 70 72 A K E -BC 51 85A 52 15,-2.5 15,-2.0 -2,-0.5 2,-0.4 -0.613 4.6-159.5 -89.4 149.7 3.2 -2.0 18.8 71 73 A I E -BC 50 84A 0 -21,-2.8 -21,-2.6 -2,-0.2 2,-0.5 -0.987 5.4-171.3-131.6 121.3 1.5 -0.1 16.0 72 74 A I E -BC 49 83A 48 11,-3.0 11,-3.6 -2,-0.4 -23,-0.2 -0.962 11.9-152.6-115.5 119.4 2.7 3.4 14.8 73 75 A F - 0 0 3 -25,-2.1 4,-0.1 -2,-0.5 -25,-0.0 -0.818 20.9-143.0 -93.0 110.5 0.4 5.2 12.4 74 76 A P > - 0 0 15 0, 0.0 3,-1.0 0, 0.0 -1,-0.1 0.108 29.7 -88.5 -62.3-177.8 2.5 7.6 10.3 75 77 A D T 3 S+ 0 0 121 1,-0.3 2,-0.2 3,-0.0 -56,-0.2 0.881 124.5 41.8 -61.0 -43.4 1.6 11.1 9.1 76 78 A N T >> S+ 0 0 100 5,-0.1 4,-2.7 2,-0.1 3,-1.2 -0.298 90.5 179.3-105.4 48.3 0.0 9.8 5.9 77 79 A Y T <4 + 0 0 6 -3,-1.0 -55,-0.1 1,-0.3 -54,-0.1 -0.669 62.7 25.9 -84.1 144.7 -1.9 6.8 7.1 78 80 A P T 34 S+ 0 0 24 0, 0.0 -1,-0.3 0, 0.0 37,-0.2 -0.898 122.8 55.2 -89.2 16.9 -3.6 4.9 5.5 79 81 A L T <4 S+ 0 0 129 -3,-1.2 -2,-0.2 1,-0.1 -3,-0.0 0.917 113.1 44.7 -74.2 -45.0 -1.6 5.7 2.4 80 82 A K S < S- 0 0 100 -4,-2.7 -1,-0.1 1,-0.1 3,-0.1 -0.859 106.4-111.3 -95.8 131.3 1.6 4.8 4.1 81 83 A P - 0 0 36 0, 0.0 2,-0.2 0, 0.0 -5,-0.1 -0.069 36.2 -94.5 -57.8 163.9 1.1 1.5 5.9 82 84 A P - 0 0 3 0, 0.0 2,-0.8 0, 0.0 -9,-0.2 -0.555 37.0-114.4 -79.0 148.7 1.2 1.5 9.7 83 85 A I E +C 72 0A 74 -11,-3.6 -11,-3.0 -2,-0.2 2,-0.4 -0.768 45.8 178.8 -84.7 110.1 4.6 0.7 11.3 84 86 A V E +C 71 0A 13 -2,-0.8 18,-0.4 -13,-0.2 2,-0.3 -0.952 11.9 134.4-121.2 135.6 3.9 -2.6 13.1 85 87 A Y E -C 70 0A 62 -15,-2.0 -15,-2.5 -2,-0.4 16,-0.2 -0.976 50.3 -87.9-168.9 161.1 6.4 -4.8 15.1 86 88 A F E -C 69 0A 2 14,-2.1 -17,-0.3 -2,-0.3 3,-0.1 -0.450 40.6-134.7 -78.0 149.5 6.8 -6.8 18.2 87 89 A L - 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