==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 14-APR-13 4K5M . COMPND 2 MOLECULE: M1 FAMILY AMINOPEPTIDASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM FCB1/COLUMBIA; . AUTHOR S.MCGOWAN . 889 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 35116.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 643 72.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 33 3.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 125 14.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 3 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.8 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 . 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 . 61 6.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 96 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 301 33.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 19 2.1 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 0 2 2 0 2 3 2 0 1 3 1 0 2 2 1 0 0 0 0 0 0 0 1 1 0 RESIDUES PER ALPHA HELIX . 3 1 1 0 2 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 PARALLEL BRIDGES PER LADDER . 2 4 1 3 2 2 1 0 4 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 2 0 3 2 0 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 1 196 A P 0 0 141 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 124.7 2.3 4.4 33.6 2 197 A K - 0 0 136 372,-0.1 2,-0.5 1,-0.0 371,-0.0 -0.487 360.0-146.1 -76.0 137.4 -0.5 5.4 31.3 3 198 A I - 0 0 73 -2,-0.2 2,-0.5 369,-0.0 371,-0.2 -0.887 5.8-152.9-106.3 126.9 -1.2 3.3 28.1 4 199 A H E -A 373 0A 63 369,-3.1 369,-1.8 -2,-0.5 2,-0.4 -0.843 11.6-157.3 -98.5 132.5 -2.4 5.0 25.0 5 200 A Y E > -A 372 0A 109 -2,-0.5 3,-1.6 367,-0.2 367,-0.3 -0.919 17.3-137.8-116.1 133.3 -4.5 2.9 22.6 6 201 A R G > S+ 0 0 55 365,-2.5 3,-1.2 -2,-0.4 366,-0.1 0.826 103.5 55.5 -52.6 -38.5 -5.0 3.5 18.9 7 202 A K G 3 S+ 0 0 104 364,-0.4 -1,-0.3 1,-0.3 365,-0.1 0.598 95.0 70.8 -78.7 -7.9 -8.7 2.8 18.9 8 203 A D G < + 0 0 111 -3,-1.6 -1,-0.3 2,-0.0 2,-0.2 0.278 67.2 136.9 -85.0 7.8 -9.3 5.4 21.6 9 204 A Y < + 0 0 69 -3,-1.2 -3,-0.0 -4,-0.0 307,-0.0 -0.385 22.4 163.3 -61.9 127.1 -8.6 8.3 19.3 10 205 A K - 0 0 60 -2,-0.2 -2,-0.0 0, 0.0 33,-0.0 -0.988 40.5-106.2-140.9 140.5 -11.0 11.2 19.7 11 206 A P - 0 0 56 0, 0.0 2,-0.0 0, 0.0 30,-0.0 -0.256 47.3 -95.5 -60.3 149.1 -10.8 14.8 18.5 12 207 A S - 0 0 18 2,-0.2 31,-0.4 1,-0.1 32,-0.2 -0.322 15.6-131.5 -63.8 146.6 -10.0 17.5 21.2 13 208 A G S S+ 0 0 5 30,-0.2 28,-1.7 29,-0.1 2,-0.3 0.367 91.0 61.3 -73.1 3.9 -12.8 19.5 22.9 14 209 A F E -B 40 0B 13 26,-0.3 2,-0.4 29,-0.1 26,-0.2 -0.840 66.7-149.8-129.2 158.7 -10.6 22.6 22.1 15 210 A I E -B 39 0B 57 24,-2.4 24,-2.1 -2,-0.3 2,-0.6 -0.992 3.3-158.3-126.0 138.2 -9.1 24.4 19.2 16 211 A I E +B 38 0B 1 -2,-0.4 22,-0.2 125,-0.3 3,-0.1 -0.957 18.4 168.4-112.7 112.2 -5.9 26.4 19.1 17 212 A N E + 0 0 63 20,-2.6 126,-2.0 -2,-0.6 2,-0.4 0.830 61.7 20.7 -90.8 -36.5 -6.0 28.9 16.3 18 213 A Q E -Bc 37 143B 32 19,-1.5 19,-2.8 124,-0.2 2,-0.5 -0.998 53.4-166.4-144.0 132.3 -3.0 31.1 17.0 19 214 A V E -Bc 36 144B 0 124,-2.6 126,-2.5 -2,-0.4 2,-0.5 -0.979 5.6-173.3-113.8 131.0 0.2 30.9 19.0 20 215 A T E -Bc 35 145B 43 15,-2.1 15,-2.2 -2,-0.5 2,-0.3 -0.968 15.4-170.6-125.2 113.8 2.2 34.0 19.7 21 216 A L E -Bc 34 146B 0 124,-2.6 126,-3.0 -2,-0.5 2,-0.5 -0.842 21.1-171.4-110.2 143.9 5.5 33.3 21.4 22 217 A N E -Bc 33 147B 59 11,-2.8 11,-2.7 -2,-0.3 2,-0.6 -0.986 10.6-173.7-128.2 116.1 8.2 35.4 22.9 23 218 A I E -Bc 32 148B 0 124,-3.1 126,-2.4 -2,-0.5 2,-0.7 -0.922 1.2-172.1-113.9 107.8 11.3 33.4 23.8 24 219 A N E -Bc 31 149B 36 7,-3.1 7,-2.6 -2,-0.6 2,-0.5 -0.875 9.3-156.1-108.5 111.0 13.8 35.5 25.8 25 220 A I E +B 30 0B 5 124,-2.9 126,-0.4 -2,-0.7 5,-0.2 -0.749 17.3 174.7 -93.9 124.1 17.1 33.6 26.2 26 221 A H - 0 0 75 3,-2.4 123,-0.0 -2,-0.5 124,-0.0 -0.661 44.5 -97.7-122.3 173.1 19.3 34.7 29.2 27 222 A D S S+ 0 0 89 1,-0.2 3,-0.1 -2,-0.2 77,-0.1 0.896 120.3 18.6 -61.5 -42.1 22.6 33.4 30.7 28 223 A Q S S+ 0 0 174 1,-0.2 2,-0.3 75,-0.0 -1,-0.2 0.425 132.4 14.4-110.4 -3.4 21.0 31.3 33.5 29 224 A E - 0 0 70 73,-0.1 -3,-2.4 75,-0.0 2,-0.4 -0.985 57.4-134.8-166.4 155.1 17.3 30.9 32.2 30 225 A T E -BD 25 101B 1 71,-2.7 71,-2.4 -2,-0.3 2,-0.5 -0.996 20.1-150.7-120.7 130.6 15.0 31.3 29.2 31 226 A I E -BD 24 100B 31 -7,-2.6 -7,-3.1 -2,-0.4 2,-0.6 -0.894 9.7-162.8-101.9 128.5 11.7 33.0 29.8 32 227 A V E -BD 23 99B 0 67,-3.0 67,-2.2 -2,-0.5 2,-0.4 -0.947 6.3-173.3-118.9 114.3 8.9 31.9 27.5 33 228 A R E +BD 22 98B 32 -11,-2.7 -11,-2.8 -2,-0.6 2,-0.4 -0.896 12.5 179.0-100.9 132.9 5.7 34.0 27.1 34 229 A S E -BD 21 97B 3 63,-2.5 63,-2.1 -2,-0.4 2,-0.5 -0.998 19.3-167.4-139.8 132.9 2.9 32.5 25.1 35 230 A V E -BD 20 96B 57 -15,-2.2 -15,-2.1 -2,-0.4 2,-0.6 -0.986 11.1-164.0-114.6 123.9 -0.5 33.6 24.1 36 231 A L E -BD 19 95B 2 59,-3.6 59,-2.6 -2,-0.5 2,-0.8 -0.929 11.5-148.3-104.7 120.6 -2.8 30.9 22.6 37 232 A D E +BD 18 94B 69 -19,-2.8 -20,-2.6 -2,-0.6 -19,-1.5 -0.808 36.3 179.1 -86.0 112.0 -5.9 32.2 20.8 38 233 A M E -BD 16 93B 2 55,-3.2 55,-2.0 -2,-0.8 2,-0.3 -0.593 22.2-171.6-115.6 168.9 -8.3 29.3 21.5 39 234 A D E -B 15 0B 30 -24,-2.1 -24,-2.4 53,-0.2 2,-0.4 -0.926 32.5-103.4-150.3 167.9 -11.9 28.2 20.9 40 235 A I E -B 14 0B 38 -2,-0.3 -26,-0.3 -26,-0.2 2,-0.1 -0.846 40.2-141.0 -93.1 133.4 -14.3 25.5 22.0 41 236 A S > - 0 0 17 -28,-1.7 3,-1.7 -2,-0.4 -26,-0.1 -0.461 26.2-103.1 -94.3 170.5 -14.7 22.7 19.3 42 237 A K T 3 S+ 0 0 190 1,-0.3 -29,-0.1 -2,-0.1 -1,-0.1 0.622 121.0 60.5 -65.2 -15.1 -17.9 20.9 18.3 43 238 A H T 3 S+ 0 0 86 -31,-0.4 -1,-0.3 -29,-0.0 -30,-0.2 0.506 77.8 122.1 -87.9 -6.2 -16.6 17.9 20.4 44 239 A N < + 0 0 44 -3,-1.7 -30,-0.1 -31,-0.2 -4,-0.0 -0.262 34.9 178.5 -60.9 139.4 -16.5 19.9 23.6 45 240 A V - 0 0 130 0, 0.0 -1,-0.1 0, 0.0 -3,-0.0 -0.069 64.7 -85.1-131.1 31.4 -18.6 18.5 26.6 46 241 A G S S+ 0 0 43 1,-0.2 39,-0.1 -33,-0.1 3,-0.1 0.729 77.6 159.7 75.9 24.5 -17.7 21.1 29.3 47 242 A E - 0 0 62 1,-0.2 -1,-0.2 38,-0.1 41,-0.0 -0.233 48.8 -85.1 -74.6 162.7 -14.5 19.3 30.3 48 243 A D - 0 0 61 1,-0.1 2,-0.7 36,-0.1 36,-0.2 -0.274 44.2-115.2 -51.3 148.6 -11.5 20.8 32.2 49 244 A L E -I 83 0C 0 34,-2.4 34,-3.3 -3,-0.1 2,-0.5 -0.882 39.7-172.3 -89.8 120.1 -9.0 22.5 29.9 50 245 A V E -I 82 0C 59 -2,-0.7 2,-0.4 32,-0.2 32,-0.2 -0.973 5.0-172.4-122.2 118.9 -5.9 20.3 30.3 51 246 A F E -I 81 0C 0 30,-2.5 30,-2.6 -2,-0.5 2,-0.3 -0.847 24.5-122.2-103.4 150.1 -2.6 21.4 28.7 52 247 A D E +IJ 80 134C 24 82,-3.3 82,-1.9 -2,-0.4 28,-0.2 -0.669 41.4 156.9 -78.8 143.7 0.6 19.4 28.5 53 248 A G - 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0 0 103 -3,-1.4 -3,-0.2 -4,-0.3 3,-0.2 0.907 32.7-163.6 54.9 44.0 48.3 -13.3 8.6 715 910 A Y > < - 0 0 40 -5,-2.6 3,-2.1 1,-0.2 4,-0.3 -0.321 37.5 -76.3 -52.3 138.7 49.1 -13.3 5.0 716 911 A P T 3 S- 0 0 93 0, 0.0 -1,-0.2 0, 0.0 -2,-0.0 -0.145 108.2 -13.5 -50.6 121.9 52.9 -13.1 4.4 717 912 A N T >> S+ 0 0 122 -3,-0.2 3,-2.1 1,-0.1 4,-0.7 0.552 85.2 141.0 70.9 10.8 54.3 -9.6 4.9 718 913 A I H <> + 0 0 1 -3,-2.1 4,-2.0 1,-0.3 3,-0.4 0.775 59.7 73.9 -59.1 -24.0 50.8 -8.0 4.9 719 914 A L H 3> S+ 0 0 40 -4,-0.3 4,-2.8 1,-0.2 -1,-0.3 0.876 88.6 60.9 -54.6 -33.6 52.0 -5.7 7.7 720 915 A N H <> S+ 0 0 108 -3,-2.1 4,-2.1 1,-0.2 -1,-0.2 0.932 107.3 44.7 -56.7 -43.4 54.0 -3.8 5.0 721 916 A E H X S+ 0 0 20 -4,-0.7 4,-2.3 -3,-0.4 -2,-0.2 0.857 110.4 53.6 -68.9 -36.5 50.7 -3.1 3.3 722 917 A I H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.921 110.0 47.9 -63.8 -46.0 48.9 -2.1 6.5 723 918 A I H < S+ 0 0 36 -4,-2.8 4,-0.4 2,-0.2 -2,-0.2 0.918 112.2 48.1 -61.9 -46.5 51.7 0.4 7.3 724 919 A E H >< S+ 0 0 115 -4,-2.1 3,-1.8 -5,-0.2 -1,-0.2 0.911 109.6 54.4 -60.5 -40.2 51.6 1.9 3.7 725 920 A H H >< S+ 0 0 8 -4,-2.3 3,-1.8 1,-0.3 -1,-0.2 0.857 96.2 65.7 -63.6 -32.8 47.8 2.1 4.0 726 921 A S T 3< S+ 0 0 4 -4,-1.9 -1,-0.3 1,-0.3 -2,-0.2 0.681 96.4 58.9 -60.6 -17.1 48.1 4.1 7.2 727 922 A K T < S+ 0 0 128 -3,-1.8 -1,-0.3 -4,-0.4 -2,-0.2 0.382 78.7 120.4 -95.4 -1.6 49.7 6.9 5.1 728 923 A S < - 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0 0 12 1,-0.2 4,-2.2 -536,-0.1 3,-0.7 -0.635 58.4-146.3 -76.1 123.4 27.3 14.0 23.9 798 993 A P H 3> S+ 0 0 1 0, 0.0 4,-2.9 0, 0.0 5,-0.3 0.871 97.9 56.7 -57.4 -38.8 25.2 11.1 22.4 799 994 A N H 3> S+ 0 0 5 -539,-0.3 4,-1.4 1,-0.2 5,-0.1 0.852 108.7 45.4 -63.0 -36.7 27.6 10.7 19.5 800 995 A D H <> S+ 0 0 33 -3,-0.7 4,-1.8 2,-0.2 -1,-0.2 0.921 114.9 46.9 -71.5 -44.3 30.6 10.1 21.8 801 996 A I H X S+ 0 0 7 -4,-2.2 4,-1.9 1,-0.2 5,-0.3 0.955 115.4 45.4 -63.2 -49.7 28.7 7.7 24.1 802 997 A R H X S+ 0 0 23 -4,-2.9 4,-1.7 1,-0.2 -1,-0.2 0.831 111.9 52.6 -60.1 -36.9 27.4 5.7 21.1 803 998 A A H < S+ 0 0 0 -4,-1.4 -30,-0.2 -5,-0.3 -1,-0.2 0.862 111.1 46.5 -69.5 -39.3 30.8 5.7 19.3 804 999 A V H < S+ 0 0 0 -4,-1.8 4,-0.3 -3,-0.1 -2,-0.2 0.892 126.7 22.8 -68.8 -37.1 32.6 4.3 22.4 805 1000 A Y H X S+ 0 0 13 -4,-1.9 4,-1.4 -5,-0.2 -3,-0.2 0.861 106.2 63.4-107.0 -39.8 30.1 1.5 23.2 806 1001 A L T < S+ 0 0 34 -4,-1.7 4,-0.4 -5,-0.3 3,-0.3 0.889 102.7 48.8 -64.6 -41.7 27.9 0.3 20.4 807 1002 A P T >4 S+ 0 0 9 0, 0.0 3,-1.6 0, 0.0 -1,-0.2 0.912 108.3 55.5 -65.7 -38.3 30.6 -1.1 18.1 808 1003 A F G >4 S+ 0 0 0 -4,-0.3 3,-2.3 1,-0.3 7,-0.3 0.855 97.2 65.5 -52.8 -38.3 32.2 -3.0 20.9 809 1004 A T G 3< S+ 0 0 9 -4,-1.4 -1,-0.3 -3,-0.3 -3,-0.1 0.618 95.7 58.9 -65.3 -11.2 28.7 -4.7 21.6 810 1005 A N G < S+ 0 0 70 -3,-1.6 2,-1.2 -4,-0.4 -1,-0.3 0.388 72.3 113.0 -91.8 -0.6 29.1 -6.4 18.2 811 1006 A N <>> - 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