==== 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 STRUCTURAL GENOMICS, UNKNOWN FUNCTION 25-JAN-06 2FU0 . COMPND 2 MOLECULE: CYCLOPHILIN, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR A.DONG,J.LEW,E.SUNDARARAJAN,Y.ZHAO,G.WASNEY,M.VEDADI,I.KOEIE . 155 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7600.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 101 65.2 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 . 46 29.7 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 . 2 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.3 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 . 12 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 10.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 1 0 0 0 1 0 0 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 . 4 0 3 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 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 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 5 A P 0 0 61 0, 0.0 18,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 119.6 12.9 10.3 37.8 2 6 A K - 0 0 116 153,-2.1 15,-2.5 1,-0.2 2,-0.3 0.761 360.0 -6.7 -95.7 -32.2 16.4 11.2 36.7 3 7 A S E -A 16 0A 35 152,-1.4 152,-2.8 13,-0.3 2,-0.3 -0.969 55.0-151.5-159.9 168.0 16.1 11.3 32.9 4 8 A A E -AB 15 154A 2 11,-2.7 11,-2.6 -2,-0.3 2,-0.4 -0.962 10.0-144.8-143.4 159.5 13.9 10.7 29.9 5 9 A I E -AB 14 153A 21 148,-2.2 148,-2.5 -2,-0.3 2,-0.7 -0.989 13.4-157.6-125.9 122.4 14.1 9.8 26.2 6 10 A I E -AB 13 152A 0 7,-3.1 7,-2.7 -2,-0.4 2,-0.6 -0.902 9.5-155.0 -98.6 111.5 11.5 11.4 23.9 7 11 A Y E +AB 12 151A 60 144,-2.5 143,-3.1 -2,-0.7 144,-1.1 -0.784 22.4 174.1 -86.6 121.6 11.1 9.2 20.8 8 12 A T E > -AB 11 149A 6 3,-1.5 3,-1.5 -2,-0.6 141,-0.2 -0.817 48.4-105.4-125.8 168.8 9.8 11.3 17.9 9 13 A T T 3 S+ 0 0 74 139,-1.9 3,-0.1 -2,-0.3 140,-0.1 0.574 123.7 47.9 -69.1 -11.1 9.2 10.8 14.2 10 14 A M T 3 S- 0 0 63 1,-0.5 -1,-0.3 138,-0.3 2,-0.3 0.368 127.3 -81.2-106.9 3.8 12.4 12.9 13.6 11 15 A G E < -A 8 0A 23 -3,-1.5 -3,-1.5 2,-0.0 -1,-0.5 -0.766 60.9 -43.6 123.2-171.9 14.5 11.0 16.0 12 16 A D E -A 7 0A 62 -2,-0.3 2,-0.6 -5,-0.2 116,-0.2 -0.767 32.2-162.8-111.6 135.6 15.3 10.8 19.8 13 17 A I E -A 6 0A 0 -7,-2.7 -7,-3.1 -2,-0.4 2,-0.4 -0.959 10.9-156.7-117.9 116.8 15.8 13.6 22.3 14 18 A H E -AC 5 124A 44 110,-2.9 109,-2.7 -2,-0.6 110,-1.4 -0.816 15.0-172.7 -97.5 136.8 17.4 12.6 25.6 15 19 A I E -AC 4 122A 1 -11,-2.6 -11,-2.7 -2,-0.4 2,-0.4 -0.966 21.0-143.7-135.0 131.7 16.8 14.8 28.6 16 20 A S E -AC 3 121A 33 105,-2.9 105,-1.9 -2,-0.4 2,-0.3 -0.823 27.2-139.2 -90.4 143.7 18.1 15.0 32.1 17 21 A L E - C 0 120A 6 -15,-2.5 2,-1.6 -2,-0.4 103,-0.3 -0.816 10.7-132.1-107.5 144.4 15.4 16.0 34.6 18 22 A F > + 0 0 33 101,-2.6 4,-2.3 -2,-0.3 3,-0.3 -0.489 46.4 154.5 -93.4 65.6 15.9 18.4 37.6 19 23 A Y T 4 + 0 0 86 -2,-1.6 -1,-0.2 -18,-0.3 8,-0.1 0.749 63.7 59.3 -68.2 -29.6 14.2 16.0 40.0 20 24 A K T 4 S+ 0 0 124 -3,-0.3 3,-0.3 2,-0.1 -1,-0.2 0.916 121.3 22.8 -63.8 -42.1 16.0 17.4 43.1 21 25 A E T 4 S+ 0 0 31 -3,-0.3 2,-1.4 1,-0.2 3,-0.2 0.940 123.1 45.4 -94.8 -57.0 14.6 20.9 42.6 22 26 A C X + 0 0 0 -4,-2.3 4,-3.0 1,-0.2 5,-0.3 -0.402 66.4 159.8 -93.5 60.3 11.4 20.8 40.5 23 27 A K H > S+ 0 0 139 -2,-1.4 4,-1.9 -3,-0.3 -1,-0.2 0.846 72.0 40.3 -56.7 -46.0 9.7 17.9 42.3 24 28 A K H > S+ 0 0 76 -3,-0.2 4,-2.6 2,-0.2 -1,-0.2 0.859 116.3 49.7 -69.8 -38.8 6.1 18.6 41.2 25 29 A T H > S+ 0 0 0 2,-0.2 4,-2.4 1,-0.2 -2,-0.2 0.911 112.5 47.2 -69.9 -43.0 7.0 19.5 37.6 26 30 A V H X S+ 0 0 1 -4,-3.0 4,-3.0 2,-0.2 5,-0.2 0.901 112.4 51.0 -64.1 -41.2 9.1 16.4 37.2 27 31 A Q H X S+ 0 0 92 -4,-1.9 4,-2.7 -5,-0.3 5,-0.3 0.930 110.1 48.4 -58.6 -50.5 6.4 14.3 38.7 28 32 A N H X S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 5,-0.2 0.945 116.6 44.3 -53.3 -49.1 3.7 15.7 36.4 29 33 A F H X S+ 0 0 0 -4,-2.4 4,-2.3 1,-0.2 -2,-0.2 0.921 116.0 44.6 -65.3 -47.5 6.0 15.1 33.4 30 34 A S H X S+ 0 0 7 -4,-3.0 4,-2.6 2,-0.2 -1,-0.2 0.889 113.8 48.8 -68.8 -41.3 7.2 11.6 34.3 31 35 A V H X S+ 0 0 46 -4,-2.7 4,-2.7 -5,-0.2 6,-0.2 0.934 114.3 46.0 -63.7 -47.9 3.7 10.3 35.3 32 36 A H H <>S+ 0 0 11 -4,-2.1 5,-2.3 -5,-0.3 6,-0.5 0.926 113.1 51.3 -56.6 -45.1 2.1 11.6 32.1 33 37 A S H ><5S+ 0 0 2 -4,-2.3 3,-1.2 -5,-0.2 119,-0.4 0.953 113.1 43.6 -60.2 -50.8 5.1 10.2 30.1 34 38 A I H 3<5S+ 0 0 116 -4,-2.6 -1,-0.2 1,-0.3 -2,-0.2 0.894 111.0 54.2 -63.1 -43.3 4.7 6.7 31.6 35 39 A N T 3<5S- 0 0 124 -4,-2.7 -1,-0.3 -5,-0.2 -2,-0.2 0.486 116.7-114.2 -67.5 -4.8 0.9 6.7 31.3 36 40 A G T X 5S+ 0 0 23 -3,-1.2 3,-1.0 -4,-0.4 -3,-0.2 0.594 73.1 138.6 82.0 10.9 1.3 7.4 27.6 37 41 A Y T 3 S+ 0 0 0 -6,-0.5 3,-2.0 -5,-0.1 111,-0.3 0.573 84.0 116.9 -88.2 -11.9 2.2 12.5 25.6 39 43 A N T < S+ 0 0 47 -3,-1.0 111,-0.2 1,-0.3 112,-0.1 -0.341 84.3 12.6 -63.1 135.8 2.1 9.7 22.9 40 44 A N T 3 S+ 0 0 99 109,-3.3 -1,-0.3 1,-0.3 2,-0.2 0.468 90.6 140.5 68.9 3.5 0.9 11.0 19.5 41 45 A C < - 0 0 1 -3,-2.0 108,-2.7 108,-0.3 -1,-0.3 -0.573 43.8-142.0 -67.2 139.0 1.2 14.7 20.7 42 46 A I B -H 148 0B 16 14,-0.5 2,-1.2 -2,-0.2 14,-0.5 -0.540 23.3-105.3 -94.0 165.7 2.5 16.8 17.8 43 47 A F + 0 0 1 104,-2.0 11,-0.2 -2,-0.2 104,-0.2 -0.815 48.6 178.4 -83.0 94.7 5.0 19.6 18.0 44 48 A H + 0 0 12 -2,-1.2 2,-0.4 9,-0.5 10,-0.2 0.618 60.7 37.2 -84.2 -16.1 2.2 22.1 17.5 45 49 A R E +D 53 0A 91 8,-1.3 8,-2.7 97,-0.1 2,-0.4 -0.962 65.3 171.5-140.6 115.9 4.1 25.4 17.7 46 50 A V E -D 52 0A 3 95,-2.8 2,-0.5 -2,-0.4 6,-0.2 -0.996 7.5-175.9-130.2 127.4 7.7 25.7 16.3 47 51 A I E >> -D 51 0A 41 4,-2.9 3,-1.5 -2,-0.4 4,-1.3 -0.955 28.4-123.9-129.2 113.0 9.6 29.0 16.0 48 52 A K T 34 S+ 0 0 115 -2,-0.5 86,-0.1 1,-0.3 82,-0.0 -0.229 95.5 11.9 -58.5 138.3 13.0 28.9 14.3 49 53 A H T 34 S+ 0 0 128 1,-0.1 -1,-0.3 81,-0.1 56,-0.0 0.746 130.7 56.6 61.5 26.1 15.8 30.3 16.5 50 54 A F T <4 S- 0 0 56 -3,-1.5 56,-2.6 1,-0.1 57,-0.7 0.272 103.0 -48.4-140.1 -79.1 13.5 30.2 19.5 51 55 A M E < -DE 47 105A 4 -4,-1.3 -4,-2.9 54,-0.3 2,-0.4 -0.987 28.1-128.3-163.1 163.8 11.8 27.0 20.6 52 56 A V E -DE 46 104A 0 52,-2.1 52,-2.3 -2,-0.3 2,-0.4 -0.987 30.2-158.8-122.8 136.5 9.7 23.9 19.7 53 57 A Q E +DE 45 103A 28 -8,-2.7 -8,-1.3 -2,-0.4 -9,-0.5 -0.927 22.1 143.7-127.6 142.6 6.6 23.3 21.7 54 58 A T E + E 0 102A 1 48,-3.0 48,-1.6 -2,-0.4 37,-0.2 -0.693 26.1 103.4-150.5-166.5 4.6 20.1 22.4 55 59 A G + 0 0 0 -13,-0.4 45,-0.1 46,-0.3 -12,-0.1 0.589 53.1 117.8 91.6 11.1 2.5 18.4 25.1 56 60 A D > - 0 0 0 -14,-0.5 3,-0.8 1,-0.1 -14,-0.5 -0.908 44.2-166.5-111.5 103.7 -1.0 19.1 23.9 57 61 A P T 3 S+ 0 0 60 0, 0.0 -1,-0.1 0, 0.0 -15,-0.0 0.831 90.6 54.6 -59.7 -30.9 -2.9 15.9 23.1 58 62 A S T 3 S- 0 0 81 1,-0.1 -2,-0.0 -17,-0.1 -17,-0.0 0.830 97.7-142.1 -68.3 -31.4 -5.6 18.0 21.3 59 63 A G S < S+ 0 0 15 -3,-0.8 -1,-0.1 -17,-0.1 -3,-0.0 0.296 71.1 113.8 84.0 -8.5 -3.0 19.6 19.1 60 64 A D S S- 0 0 94 1,-0.1 -4,-0.0 0, 0.0 -1,-0.0 0.867 83.7-119.6 -60.3 -44.2 -5.0 22.8 19.4 61 65 A G S S+ 0 0 23 -16,-0.0 -1,-0.1 0, 0.0 40,-0.0 0.148 103.8 60.9 117.2 -17.8 -2.4 24.8 21.4 62 66 A T S S+ 0 0 119 -6,-0.0 39,-0.1 39,-0.0 0, 0.0 0.396 85.9 98.3-113.2 -5.4 -4.5 25.4 24.5 63 67 A G + 0 0 19 -7,-0.1 37,-0.3 36,-0.0 38,-0.3 -0.029 41.2 77.9 -81.6-174.8 -5.2 21.8 25.5 64 68 A G - 0 0 35 35,-0.1 2,-0.3 36,-0.1 -8,-0.1 0.214 49.9-141.3 91.4 146.3 -3.6 19.5 28.0 65 69 A E - 0 0 104 34,-0.2 34,-0.2 35,-0.1 5,-0.1 -0.985 19.4-108.9-140.8 149.8 -4.0 19.1 31.8 66 70 A S > - 0 0 3 3,-0.4 3,-1.9 -2,-0.3 34,-0.1 -0.199 42.2-100.3 -66.0 167.3 -1.6 18.4 34.7 67 71 A I T 3 S+ 0 0 53 1,-0.3 -1,-0.1 32,-0.2 4,-0.1 0.713 127.4 55.7 -64.0 -19.1 -1.9 15.0 36.5 68 72 A W T 3 S- 0 0 95 2,-0.3 2,-1.6 31,-0.1 -1,-0.3 0.459 107.0-130.0 -87.3 -1.9 -3.9 16.9 39.2 69 73 A G S < S+ 0 0 37 -3,-1.9 -3,-0.4 1,-0.1 2,-0.2 -0.384 86.1 80.4 79.5 -56.4 -6.4 18.1 36.5 70 74 A N S S- 0 0 131 -2,-1.6 -2,-0.3 -5,-0.1 -1,-0.1 -0.488 96.2 -97.0 -77.3 149.8 -6.0 21.7 37.8 71 75 A E - 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