==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 26-DEC-08 3FNS . COMPND 2 MOLECULE: HAP PROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM 3D7; . AUTHOR P.BHAUMIK,A.GUSTCHINA,A.WLODAWER . 650 2 4 4 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 27163.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 467 71.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 40 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 216 33.2 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 5 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 12 1.8 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 . 2 0.3 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 . 79 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 57 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 51 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 9 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 4 0 1 2 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 0 4 4 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 . 7 6 5 10 1 5 3 1 0 0 0 0 0 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 1 0 2 0 2 2 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 0 A E 0 0 193 0, 0.0 172,-0.0 0, 0.0 170,-0.0 0.000 360.0 360.0 360.0 -17.0 -3.2 15.0 10.4 2 1 A F - 0 0 64 1,-0.1 2,-0.6 170,-0.0 168,-0.1 0.193 360.0 -87.0 -67.7 175.2 -0.7 16.4 12.9 3 2 A D E -A 169 0A 24 166,-1.4 166,-2.6 89,-0.0 2,-0.5 -0.721 44.9-179.7 -88.9 117.6 -0.8 17.3 16.6 4 3 A N E -A 168 0A 57 -2,-0.6 2,-0.4 164,-0.2 164,-0.2 -0.960 10.4-169.5-123.5 116.1 -2.0 20.9 17.3 5 4 A V E -A 167 0A 20 162,-2.5 162,-2.4 -2,-0.5 2,-0.2 -0.853 28.9-117.4 -99.7 142.1 -2.4 22.5 20.7 6 5 A E E -A 166 0A 74 -2,-0.4 12,-0.4 160,-0.2 2,-0.3 -0.549 24.5-145.6 -76.6 136.2 -4.1 25.8 21.0 7 6 A L E -A 165 0A 3 158,-3.5 158,-1.3 -2,-0.2 2,-0.3 -0.812 11.5-153.4-102.9 145.1 -2.1 28.8 22.3 8 7 A K E -F 16 0B 114 8,-2.2 8,-1.0 -2,-0.3 7,-0.6 -0.873 16.9-113.9-121.6 153.0 -3.5 31.6 24.4 9 8 A D E +F 14 0B 61 -2,-0.3 5,-0.2 5,-0.2 155,-0.0 -0.621 36.2 160.9 -81.6 133.2 -2.7 35.2 25.0 10 9 A L S S- 0 0 51 3,-1.7 -1,-0.1 -2,-0.3 4,-0.1 0.671 79.5 -8.2-119.8 -44.1 -1.5 36.3 28.5 11 10 A A S S- 0 0 32 2,-0.5 206,-0.1 326,-0.1 3,-0.1 -0.182 122.2 -58.1-150.6 54.9 0.3 39.6 28.3 12 11 A N S S+ 0 0 39 1,-0.2 2,-0.5 324,-0.1 -3,-0.1 0.439 117.2 107.2 73.4 4.8 0.6 40.4 24.6 13 12 A V - 0 0 5 202,-0.1 -3,-1.7 289,-0.0 2,-0.8 -0.965 54.3-165.0-116.7 121.5 2.5 37.1 24.4 14 13 A L E +F 9 0B 14 -2,-0.5 -5,-0.2 -5,-0.2 -7,-0.1 -0.748 55.6 96.7-110.0 80.3 0.8 34.2 22.7 15 14 A S E + 0 0 1 -2,-0.8 17,-2.8 -7,-0.6 2,-0.4 -0.072 48.0 118.7-153.7 51.5 2.6 31.0 23.6 16 15 A F E +FG 8 31B 9 -8,-1.0 -8,-2.2 15,-0.2 2,-0.3 -0.913 32.6 147.2-112.7 142.9 0.8 29.5 26.6 17 16 A G E - G 0 30B 10 13,-2.5 13,-3.0 -2,-0.4 2,-0.4 -0.934 42.2 -87.3-160.5 179.3 -0.9 26.2 26.4 18 17 A E E + G 0 29B 82 -12,-0.4 2,-0.3 -2,-0.3 75,-0.2 -0.826 36.3 165.8-104.6 139.1 -1.9 23.0 28.2 19 18 A A E - G 0 28B 2 9,-1.6 9,-1.5 -2,-0.4 2,-0.3 -0.974 23.7-132.6-144.2 156.4 0.2 19.9 28.6 20 19 A K E -HG 91 27B 86 71,-3.5 71,-3.2 -2,-0.3 2,-0.4 -0.856 7.6-152.0-115.8 144.7 -0.3 16.8 30.9 21 20 A L E > -HG 90 26B 0 5,-2.4 5,-2.3 -2,-0.3 69,-0.2 -0.944 51.0 -14.6-116.1 135.8 2.1 14.9 33.3 22 21 A G T > 5S- 0 0 4 67,-4.0 3,-1.6 -2,-0.4 66,-0.1 0.150 94.6 -44.8 78.8 171.8 1.8 11.2 34.3 23 22 A D T 3 5S+ 0 0 80 1,-0.3 -1,-0.2 2,-0.1 39,-0.1 0.767 133.4 47.7 -34.0 -49.5 -0.7 8.3 34.1 24 23 A N T 3 5S- 0 0 79 -3,-0.2 -1,-0.3 37,-0.1 -2,-0.1 0.006 111.0-117.9 -94.5 24.3 -3.6 10.4 35.4 25 24 A G T < 5 - 0 0 24 -3,-1.6 -3,-0.2 1,-0.1 2,-0.2 0.849 32.8-158.7 33.0 61.1 -3.0 13.3 32.9 26 25 A Q E < -G 21 0B 25 -5,-2.3 -5,-2.4 32,-0.1 2,-0.3 -0.451 16.3-131.1 -62.2 131.0 -2.3 16.0 35.5 27 26 A K E +G 20 0B 118 -7,-0.2 2,-0.3 -2,-0.2 -7,-0.2 -0.634 30.0 171.6 -93.7 144.5 -2.9 19.4 33.8 28 27 A F E -G 19 0B 0 -9,-1.5 -9,-1.6 -2,-0.3 2,-0.7 -0.984 32.7-126.3-143.1 151.1 -0.6 22.4 33.8 29 28 A N E -G 18 0B 54 -2,-0.3 91,-2.3 -11,-0.2 92,-1.4 -0.904 38.5-166.7 -94.6 112.5 -0.6 25.7 32.0 30 29 A F E -Gi 17 121B 0 -13,-3.0 -13,-2.5 -2,-0.7 2,-0.7 -0.768 27.6-136.9-103.3 145.2 2.8 26.1 30.4 31 30 A L E -Gi 16 122B 2 90,-2.2 92,-2.9 -2,-0.3 2,-0.8 -0.892 31.0-140.0 -86.1 114.7 4.7 28.9 28.8 32 31 A F E - i 0 123B 3 -17,-2.8 2,-0.6 -2,-0.7 92,-0.2 -0.740 23.3-166.7 -82.5 114.7 6.1 27.2 25.7 33 32 A H E > - i 0 124B 22 90,-1.8 92,-3.1 -2,-0.8 3,-0.9 -0.900 24.6-172.5-118.9 114.2 9.5 28.5 25.4 34 33 A T T 3 S+ 0 0 0 -2,-0.6 158,-0.4 1,-0.2 -1,-0.1 0.651 87.7 57.4 -74.5 -17.5 11.7 28.1 22.3 35 34 A A T 3 S+ 0 0 7 91,-0.1 2,-0.3 156,-0.1 -1,-0.2 0.160 100.6 56.7-106.6 18.7 14.7 29.6 24.1 36 35 A S < - 0 0 27 -3,-0.9 90,-1.9 87,-0.1 89,-0.7 -0.925 64.8-147.4-138.1 170.9 15.0 27.2 27.1 37 36 A S + 0 0 9 -2,-0.3 2,-0.3 93,-0.2 98,-0.1 0.173 62.9 67.8-132.9 19.7 15.4 23.5 27.3 38 37 A N - 0 0 8 93,-0.1 86,-2.2 92,-0.1 2,-0.4 -0.905 68.4-124.1-127.0 160.0 13.8 21.9 30.4 39 38 A V B -J 123 0B 0 -2,-0.3 63,-2.5 61,-0.3 2,-0.4 -0.926 27.5-164.2-100.5 138.5 10.2 21.5 31.5 40 39 A W E +k 102 0B 20 82,-2.5 82,-0.5 -2,-0.4 63,-0.2 -0.995 12.6 169.7-123.2 125.3 9.4 22.9 34.9 41 40 A V E -k 103 0B 0 61,-2.3 63,-3.8 -2,-0.4 2,-0.3 -0.990 39.3-104.5-130.1 144.8 6.3 22.1 37.0 42 41 A P E -k 104 0B 0 0, 0.0 15,-2.5 0, 0.0 2,-0.2 -0.477 38.0-134.6 -62.5 126.2 5.5 23.0 40.6 43 42 A S B > -n 57 0C 0 61,-2.5 3,-1.6 -2,-0.3 15,-0.2 -0.510 16.2-123.0 -74.9 153.3 5.8 19.9 42.9 44 43 A I T 3 S+ 0 0 80 13,-2.2 -1,-0.1 1,-0.3 14,-0.1 0.845 116.7 62.4 -56.2 -34.5 3.2 19.0 45.5 45 44 A K T 3 S+ 0 0 107 12,-0.3 2,-0.3 2,-0.0 -1,-0.3 0.540 72.9 128.0 -68.5 -9.8 6.2 19.3 47.8 46 45 A a < - 0 0 16 -3,-1.6 60,-0.2 58,-0.3 59,-0.1 -0.350 37.4-174.3 -57.3 116.7 6.6 23.0 47.0 47 46 A T + 0 0 118 58,-1.5 -1,-0.2 -2,-0.3 59,-0.1 0.497 44.9 112.7 -86.6 -6.6 6.7 24.9 50.3 48 47 A S S > S- 0 0 19 57,-0.4 3,-1.1 1,-0.1 4,-0.4 -0.378 71.5-126.8 -88.7 150.1 6.6 28.4 48.8 49 48 A E G > S+ 0 0 148 1,-0.3 3,-0.8 2,-0.2 4,-0.3 0.804 108.7 56.3 -56.4 -37.8 4.0 31.2 48.9 50 49 A S G 3 S+ 0 0 6 57,-0.4 3,-0.3 1,-0.2 -1,-0.3 0.772 97.9 63.0 -67.2 -25.3 4.0 31.5 45.0 51 50 A a G X S+ 0 0 3 -3,-1.1 3,-0.9 1,-0.2 -1,-0.2 0.635 79.5 90.6 -73.6 -16.4 3.1 27.8 44.5 52 51 A E T < S+ 0 0 130 -3,-0.8 -1,-0.2 -4,-0.4 -2,-0.1 0.879 90.1 35.8 -50.1 -58.0 -0.3 28.1 46.3 53 52 A S T 3 S+ 0 0 94 -3,-0.3 -1,-0.3 -4,-0.3 -2,-0.1 0.584 103.1 103.1 -75.7 -10.8 -2.7 28.9 43.5 54 53 A K S < S- 0 0 9 -3,-0.9 2,-0.2 -4,-0.2 65,-0.1 -0.278 79.8-104.5 -76.6 153.8 -0.7 26.7 41.0 55 54 A N - 0 0 67 -26,-0.1 2,-0.3 -2,-0.0 -1,-0.1 -0.560 43.5-146.3 -62.1 141.3 -1.4 23.3 39.6 56 55 A H - 0 0 61 -2,-0.2 2,-0.5 -15,-0.1 -13,-0.2 -0.873 9.3-131.4-118.5 147.1 0.8 20.7 41.3 57 56 A Y B -n 43 0C 0 -15,-2.5 -13,-2.2 -2,-0.3 2,-0.5 -0.867 20.4-169.9 -93.7 130.1 2.5 17.5 40.2 58 57 A D > - 0 0 33 -2,-0.5 3,-0.9 -15,-0.2 4,-0.1 -0.958 9.5-171.7-123.7 106.6 2.0 14.6 42.5 59 58 A S G > S+ 0 0 12 -2,-0.5 3,-1.2 1,-0.2 6,-0.3 0.745 83.0 66.8 -70.2 -25.0 4.2 11.6 41.6 60 59 A S G 3 S+ 0 0 95 1,-0.2 -1,-0.2 3,-0.0 -2,-0.0 0.698 97.5 55.0 -67.6 -17.9 2.4 9.4 44.2 61 60 A K G < S+ 0 0 135 -3,-0.9 2,-0.5 1,-0.1 -1,-0.2 0.399 97.3 74.2 -98.1 3.1 -0.8 9.6 42.1 62 61 A S X - 0 0 9 -3,-1.2 3,-0.8 1,-0.1 -1,-0.1 -0.969 59.9-160.5-124.2 124.6 0.8 8.3 38.9 63 62 A K T 3 S+ 0 0 195 -2,-0.5 -1,-0.1 1,-0.2 -4,-0.0 0.707 91.4 59.6 -72.5 -21.8 1.8 4.7 38.3 64 63 A T T 3 S+ 0 0 44 2,-0.1 -1,-0.2 25,-0.0 -42,-0.1 0.559 75.8 124.3 -86.8 -10.0 4.3 5.6 35.5 65 64 A Y < - 0 0 59 -3,-0.8 2,-0.5 -6,-0.3 23,-0.2 -0.166 45.0-160.0 -50.7 138.3 6.4 7.8 37.7 66 65 A E E -L 87 0B 91 21,-2.2 21,-1.7 0, 0.0 -1,-0.1 -0.968 19.9-125.2-127.5 113.9 10.1 6.9 37.8 67 66 A K E +L 86 0B 160 -2,-0.5 19,-0.1 1,-0.2 21,-0.0 -0.312 46.7 147.4 -61.5 132.9 12.1 8.2 40.8 68 67 A D E + 0 0 45 17,-0.5 18,-0.2 2,-0.1 -1,-0.2 0.486 16.4 177.5-122.3 -69.5 15.2 10.2 39.8 69 68 A D E + 0 0 69 16,-2.9 17,-0.1 1,-0.3 -2,-0.1 0.362 13.9 158.8 80.1 -0.5 15.5 12.8 42.5 70 69 A T E - 0 0 74 15,-0.2 15,-2.2 14,-0.1 -1,-0.3 -0.374 44.8-119.2 -53.8 121.7 18.7 14.4 41.3 71 70 A P E -L 84 0B 109 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.389 29.1-162.9 -66.0 146.7 18.7 17.9 42.9 72 71 A V E -L 83 0B 11 11,-2.2 11,-1.6 -2,-0.1 2,-0.4 -0.989 8.4-175.3-133.5 139.1 18.7 21.1 40.7 73 72 A K E +L 82 0B 181 -2,-0.3 2,-0.5 9,-0.2 9,-0.2 -0.964 5.9 177.5-140.1 120.6 19.5 24.7 41.6 74 73 A L E -L 81 0B 82 7,-2.4 7,-2.3 -2,-0.4 2,-0.5 -0.951 10.5-171.9-123.1 107.1 19.2 27.7 39.3 75 74 A T E +L 80 0B 114 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.866 12.6 163.0 -99.1 129.8 20.1 31.0 41.0 76 75 A S E > -L 79 0B 55 3,-2.0 3,-0.7 -2,-0.5 -2,-0.0 -0.867 50.9-104.7-133.2 174.0 19.4 34.3 39.1 77 76 A K T 3 S+ 0 0 184 -2,-0.3 3,-0.1 1,-0.2 -1,-0.1 0.874 118.5 54.8 -66.9 -35.3 19.2 37.9 40.2 78 77 A A T 3 S- 0 0 6 1,-0.2 32,-3.8 31,-0.1 33,-0.3 0.586 128.6 -57.9 -76.4 -10.0 15.4 37.9 39.8 79 78 A G E < -LM 76 109B 9 -3,-0.7 -3,-2.0 30,-0.3 2,-0.3 -0.902 54.1 -96.7 151.8 178.7 15.0 34.9 42.2 80 79 A T E -LM 75 108B 40 28,-1.8 28,-1.5 -2,-0.3 2,-0.4 -0.924 21.2-162.6-130.6 152.3 16.1 31.4 42.7 81 80 A I E +LM 74 107B 7 -7,-2.3 -7,-2.4 -2,-0.3 2,-0.3 -0.972 8.8 176.3-139.4 125.8 14.5 28.0 42.0 82 81 A S E +LM 73 106B 33 24,-1.8 23,-2.2 -2,-0.4 24,-2.0 -0.890 20.3 122.5-120.4 158.8 15.3 24.5 43.3 83 82 A G E -LM 72 104B 5 -11,-1.6 -11,-2.2 -2,-0.3 2,-0.3 -0.919 47.2 -85.4 178.6-159.4 13.7 21.2 42.8 84 83 A I E -LM 71 103B 26 19,-1.9 19,-2.9 -2,-0.3 2,-0.4 -0.946 28.6-107.6-138.6 155.6 14.4 17.7 41.5 85 84 A F E + M 0 102B 14 -15,-2.2 -16,-2.9 -2,-0.3 -17,-0.5 -0.699 41.1 172.0 -78.8 132.9 14.5 15.6 38.4 86 85 A S E -LM 67 101B 0 15,-2.2 15,-2.6 -2,-0.4 2,-0.4 -0.946 22.9-137.5-134.1 156.3 11.6 13.2 37.9 87 86 A K E +LM 66 100B 57 -21,-1.7 -21,-2.2 -2,-0.3 2,-0.3 -0.935 37.4 133.4-114.7 141.4 10.6 11.0 35.0 88 87 A D E - 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