==== 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 ISOMERASE 04-JAN-07 2OFN . COMPND 2 MOLECULE: 70 KDA PEPTIDYLPROLYL ISOMERASE, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM FALCIPARUM; . AUTHOR C.B.KANG,H.YE,H.R.YOON,H.S.YOON . 135 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9354.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 79 58.5 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 . 29 21.5 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 26 19.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 7 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 10 7.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.5 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 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 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 . 0 3 0 1 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 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 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 1 A M 0 0 229 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 18.3 3.3 -4.0 -2.4 2 2 A T + 0 0 93 1,-0.2 3,-0.2 4,-0.0 0, 0.0 -0.534 360.0 175.8 -75.3 122.7 7.0 -3.2 -2.7 3 3 A T S S+ 0 0 119 -2,-0.4 2,-0.7 1,-0.3 -1,-0.2 0.778 82.5 45.2 -91.9 -33.8 8.8 -5.2 -5.4 4 4 A E S S- 0 0 143 2,-0.0 -1,-0.3 0, 0.0 2,-0.2 -0.884 90.2-147.0-109.1 95.9 12.1 -3.3 -4.8 5 5 A Q - 0 0 93 -2,-0.7 2,-2.0 -3,-0.2 -2,-0.0 -0.442 13.7-127.3 -67.4 131.6 12.5 -3.0 -1.0 6 6 A E + 0 0 187 -2,-0.2 2,-0.3 2,-0.0 -1,-0.1 -0.571 48.0 167.0 -77.8 79.2 14.2 0.2 0.2 7 7 A F - 0 0 84 -2,-2.0 2,-0.3 14,-0.0 16,-0.1 -0.711 29.7-134.5 -98.3 150.5 16.9 -1.6 2.2 8 8 A E - 0 0 154 -2,-0.3 14,-1.4 14,-0.1 2,-0.3 -0.736 17.2-130.5 -99.1 150.8 20.0 -0.1 3.6 9 9 A K E -A 21 0A 94 -2,-0.3 2,-0.8 12,-0.2 12,-0.2 -0.729 10.9-130.2 -98.9 151.6 23.4 -1.6 3.4 10 10 A V E -A 20 0A 56 10,-3.3 10,-1.5 -2,-0.3 2,-0.8 -0.886 25.2-157.6-101.4 104.7 25.8 -2.1 6.3 11 11 A E - 0 0 146 -2,-0.8 8,-0.2 1,-0.3 6,-0.1 -0.765 68.5 -14.8 -93.5 108.5 29.1 -0.7 5.1 12 12 A L S S- 0 0 113 -2,-0.8 -1,-0.3 6,-0.1 7,-0.2 0.999 82.0-150.9 65.0 69.5 32.1 -2.1 7.0 13 13 A T >> - 0 0 36 5,-1.3 4,-2.9 -3,-0.4 3,-1.1 -0.227 26.1-105.1 -65.2 163.7 30.4 -3.7 10.0 14 14 A A T 34 S+ 0 0 108 1,-0.3 -1,-0.1 2,-0.2 -2,-0.0 0.521 109.6 78.9 -73.4 -3.7 32.3 -3.9 13.3 15 15 A D T 34 S- 0 0 76 3,-0.1 -1,-0.3 1,-0.1 -2,-0.1 0.266 132.3 -53.1 -90.5 14.8 32.9 -7.6 12.9 16 16 A G T <4 S- 0 0 46 -3,-1.1 -2,-0.2 2,-0.1 64,-0.1 0.595 89.5 -73.1 123.0 19.5 35.7 -7.0 10.4 17 17 A G < + 0 0 17 -4,-2.9 2,-0.3 1,-0.2 -3,-0.1 0.996 69.8 153.9 69.0 76.6 34.4 -4.7 7.7 18 18 A V - 0 0 0 -8,-0.1 -5,-1.3 62,-0.1 2,-0.6 -0.987 40.8-124.4-133.5 146.7 32.0 -6.4 5.3 19 19 A I + 0 0 32 75,-0.5 75,-3.1 -2,-0.3 2,-0.4 -0.802 39.0 163.8 -91.9 116.0 29.2 -5.0 3.2 20 20 A K E -AB 10 93A 19 -10,-1.5 -10,-3.3 -2,-0.6 2,-0.4 -0.986 27.7-141.7-135.1 146.5 25.8 -6.7 3.7 21 21 A T E -AB 9 92A 2 71,-3.6 71,-2.6 -2,-0.4 2,-0.5 -0.897 20.9-125.8-108.6 131.9 22.2 -5.7 2.9 22 22 A I E + B 0 91A 50 -14,-1.4 69,-0.2 -2,-0.4 3,-0.1 -0.643 42.3 152.2 -80.4 120.1 19.3 -6.5 5.3 23 23 A L E + 0 0 62 67,-1.5 2,-0.3 -2,-0.5 68,-0.2 0.749 68.8 14.0-109.4 -52.6 16.5 -8.4 3.6 24 24 A K E - B 0 90A 104 66,-3.0 66,-1.4 0, 0.0 -1,-0.5 -0.950 69.9-142.5-127.4 149.2 14.9 -10.4 6.4 25 25 A K - 0 0 158 -2,-0.3 2,-0.3 64,-0.2 60,-0.0 -0.888 27.0-104.9-115.1 140.8 15.3 -9.9 10.2 26 26 A G - 0 0 21 -2,-0.4 3,-0.2 1,-0.1 63,-0.1 -0.485 26.2-152.1 -63.0 121.7 15.4 -12.6 12.9 27 27 A D - 0 0 151 -2,-0.3 2,-0.3 61,-0.3 -1,-0.1 0.975 66.4 -27.9 -60.0 -60.3 12.0 -12.6 14.7 28 28 A E S S+ 0 0 173 4,-0.0 -1,-0.2 0, 0.0 2,-0.1 -0.967 70.7 133.3-161.0 141.0 13.2 -13.9 18.0 29 29 A G - 0 0 24 -2,-0.3 -3,-0.0 -3,-0.2 59,-0.0 -0.269 18.4-179.7 167.9 103.3 16.0 -16.1 19.4 30 30 A E S S+ 0 0 178 1,-0.2 -1,-0.0 -2,-0.1 0, 0.0 0.892 102.9 32.9 -74.6 -41.6 18.4 -15.5 22.3 31 31 A E S S+ 0 0 128 1,-0.1 2,-1.9 3,-0.0 96,-0.2 0.525 97.6 96.7 -88.5 -10.4 20.1 -18.8 21.6 32 32 A N + 0 0 32 2,-0.1 56,-0.1 94,-0.1 -1,-0.1 -0.530 51.7 119.1 -84.9 75.5 19.5 -18.4 17.9 33 33 A I - 0 0 54 -2,-1.9 2,-0.7 53,-0.1 53,-0.2 -0.865 51.6-151.0-144.6 102.2 22.9 -17.0 16.9 34 34 A P + 0 0 0 0, 0.0 51,-0.4 0, 0.0 2,-0.3 -0.649 27.8 178.9 -71.8 111.3 25.3 -18.7 14.5 35 35 A K > - 0 0 76 -2,-0.7 3,-1.0 1,-0.1 91,-0.2 -0.755 31.2 -85.9-116.9 166.5 28.8 -17.8 15.4 36 36 A K T 3 S+ 0 0 96 -2,-0.3 34,-0.1 1,-0.2 3,-0.1 -0.235 107.5 39.5 -70.1 153.9 32.3 -18.7 14.1 37 37 A G T 3 S+ 0 0 35 32,-0.4 2,-0.3 1,-0.4 -1,-0.2 0.368 103.2 95.8 86.7 -5.1 34.1 -21.8 15.2 38 38 A N S < S- 0 0 12 -3,-1.0 2,-0.5 89,-0.0 31,-0.5 -0.781 83.8 -96.2-119.9 163.8 30.8 -23.6 15.1 39 39 A E E +C 126 0A 61 87,-0.7 87,-1.1 -2,-0.3 2,-0.3 -0.649 47.3 164.6 -87.5 121.8 29.0 -25.8 12.5 40 40 A V E -C 125 0A 0 -2,-0.5 2,-0.5 85,-0.2 85,-0.3 -0.941 26.2-146.6-132.7 156.4 26.5 -24.0 10.3 41 41 A T E +C 124 0A 28 83,-3.1 83,-1.6 -2,-0.3 82,-1.0 -0.974 29.7 155.4-127.8 116.6 24.8 -24.9 7.0 42 42 A V E -C 122 0A 1 25,-0.6 25,-0.4 -2,-0.5 2,-0.4 -0.955 31.9-136.2-137.5 156.7 23.9 -22.2 4.5 43 43 A H E -C 121 0A 71 78,-0.9 78,-1.1 -2,-0.3 2,-0.4 -0.911 18.1-158.8-112.7 142.7 23.3 -21.9 0.8 44 44 A Y + 0 0 34 21,-0.6 2,-0.3 -2,-0.4 21,-0.2 -0.954 24.7 137.2-124.2 141.2 24.7 -19.2 -1.4 45 45 A V + 0 0 43 74,-0.4 74,-3.8 -2,-0.4 2,-0.3 -0.955 13.2 108.8-168.8 161.6 23.6 -17.8 -4.8 46 46 A G E -D 118 0A 19 -2,-0.3 9,-1.3 72,-0.2 2,-0.3 -0.880 54.6 -72.7 166.2-128.6 23.0 -14.6 -6.6 47 47 A K E -DE 117 54A 85 70,-1.0 70,-2.6 -2,-0.3 2,-1.0 -0.947 42.0 -86.9-156.7 173.2 24.7 -12.7 -9.5 48 48 A L E >>> - E 0 53A 20 5,-3.4 4,-1.7 -2,-0.3 5,-1.5 -0.786 33.4-175.4 -91.2 98.3 27.7 -10.6 -10.4 49 49 A E T 345S+ 0 0 80 -2,-1.0 67,-0.2 66,-0.4 -1,-0.2 0.733 73.7 81.4 -66.6 -21.2 26.9 -7.1 -9.5 50 50 A S T 345S+ 0 0 64 65,-1.8 -1,-0.3 1,-0.2 66,-0.1 0.791 122.0 1.0 -55.9 -30.0 30.1 -6.0 -11.1 51 51 A T T <45S- 0 0 103 -3,-1.5 -1,-0.2 64,-0.2 -2,-0.2 0.316 104.1-106.9-138.0 1.3 28.4 -6.1 -14.4 52 52 A G T <5 + 0 0 46 -4,-1.7 2,-0.6 1,-0.2 -3,-0.2 0.699 63.1 158.7 77.9 20.4 24.9 -7.1 -13.5 53 53 A K E < -E 48 0A 93 -5,-1.5 -5,-3.4 1,-0.0 -1,-0.2 -0.685 34.2-139.7 -84.2 116.4 25.4 -10.6 -14.9 54 54 A V E -E 47 0A 85 -2,-0.6 2,-0.4 -7,-0.2 -7,-0.2 -0.386 29.7 -96.8 -70.6 150.7 22.9 -13.1 -13.4 55 55 A F + 0 0 33 -9,-1.3 2,-0.2 -2,-0.1 -1,-0.1 -0.568 50.8 159.0 -74.9 124.5 24.2 -16.6 -12.5 56 56 A D + 0 0 109 -2,-0.4 2,-0.3 -3,-0.0 -1,-0.1 -0.646 19.4 132.0-145.6 85.3 23.6 -19.2 -15.1 57 57 A S > - 0 0 58 -2,-0.2 4,-0.8 1,-0.0 5,-0.1 -0.852 63.9-114.1-126.5 166.6 26.0 -22.2 -14.9 58 58 A S T 4 S+ 0 0 88 -2,-0.3 5,-0.1 1,-0.1 -1,-0.0 0.728 113.7 37.3 -71.2 -22.0 25.4 -26.0 -14.9 59 59 A F T >> S+ 0 0 154 3,-0.1 4,-3.1 2,-0.1 3,-1.9 0.925 108.9 52.5 -95.0 -55.7 26.6 -26.2 -11.3 60 60 A D T 34 S+ 0 0 39 1,-0.3 5,-0.2 2,-0.2 -2,-0.1 0.836 112.6 44.0 -59.9 -40.3 25.4 -23.2 -9.3 61 61 A R T 3< S+ 0 0 183 -4,-0.8 -1,-0.3 1,-0.1 -2,-0.1 0.477 125.4 34.8 -84.1 -1.9 21.7 -23.4 -10.2 62 62 A N T <4 S+ 0 0 122 -3,-1.9 -2,-0.2 1,-0.2 -3,-0.1 0.770 102.0 66.5-116.3 -54.0 21.7 -27.2 -9.7 63 63 A V < - 0 0 62 -4,-3.1 2,-1.4 -5,-0.1 -1,-0.2 -0.598 69.0-137.8 -87.1 127.3 24.0 -28.3 -6.9 64 64 A P - 0 0 101 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.683 31.4-177.6 -78.2 90.5 23.3 -27.4 -3.2 65 65 A F + 0 0 105 -2,-1.4 -21,-0.6 -21,-0.2 2,-0.3 -0.803 3.7 174.6 -94.4 132.6 26.8 -26.5 -2.1 66 66 A K - 0 0 98 -2,-0.5 2,-0.2 -23,-0.1 -23,-0.1 -0.987 12.3-161.2-138.5 147.3 27.2 -25.5 1.5 67 67 A F - 0 0 14 -25,-0.4 -25,-0.6 -2,-0.3 2,-0.3 -0.607 21.0-114.4-115.5 178.3 30.2 -24.7 3.7 68 68 A H > - 0 0 66 -2,-0.2 3,-0.5 -27,-0.1 2,-0.3 -0.897 37.7 -99.6-115.7 148.9 30.8 -24.5 7.4 69 69 A L T 3 S+ 0 0 4 -31,-0.5 -32,-0.4 -2,-0.3 -34,-0.1 -0.516 99.2 2.3 -74.4 128.9 31.6 -21.4 9.4 70 70 A E T 3 S+ 0 0 83 -2,-0.3 -1,-0.2 -34,-0.1 5,-0.1 0.982 78.7 133.3 58.9 64.4 35.3 -20.9 10.1 71 71 A Q S < S- 0 0 82 -3,-0.5 -2,-0.1 3,-0.1 -1,-0.1 0.149 83.9-101.5-115.8 10.1 36.8 -23.9 8.4 72 72 A G S S+ 0 0 44 2,-0.3 -3,-0.1 3,-0.1 -2,-0.0 0.149 110.6 91.1 88.8 -18.7 39.5 -21.7 6.8 73 73 A E S S+ 0 0 120 -5,-0.2 2,-0.5 2,-0.0 -4,-0.1 0.829 78.1 63.7 -76.6 -32.9 37.6 -21.8 3.5 74 74 A V + 0 0 7 -6,-0.3 -2,-0.3 1,-0.2 -3,-0.1 -0.809 60.8 177.4 -97.8 129.8 35.7 -18.6 4.3 75 75 A I - 0 0 48 -2,-0.5 -1,-0.2 24,-0.3 25,-0.1 0.903 61.7 -50.3 -95.9 -73.2 37.7 -15.4 4.8 76 76 A K S > S+ 0 0 70 23,-1.1 4,-2.6 3,-0.1 5,-0.4 0.585 119.1 67.7-138.2 -44.3 35.6 -12.4 5.5 77 77 A G H > S+ 0 0 0 22,-2.4 4,-0.9 1,-0.2 23,-0.1 0.932 118.5 24.7 -54.5 -53.9 32.7 -11.9 3.0 78 78 A W H > S+ 0 0 34 21,-0.4 4,-3.2 2,-0.2 5,-0.4 0.873 116.8 67.5 -75.8 -36.6 30.8 -15.0 4.1 79 79 A D H > S+ 0 0 9 1,-0.2 4,-2.2 2,-0.2 -2,-0.2 0.910 104.3 40.2 -51.4 -53.8 32.3 -14.9 7.6 80 80 A I H < S+ 0 0 0 -4,-2.6 -1,-0.2 2,-0.2 4,-0.2 0.875 117.8 50.1 -65.2 -38.1 30.6 -11.6 8.7 81 81 A C H >< S+ 0 0 0 -4,-0.9 3,-1.1 -5,-0.4 -2,-0.2 0.982 117.2 35.6 -66.9 -55.8 27.4 -12.6 7.0 82 82 A V H >< S+ 0 0 0 -4,-3.2 3,-1.4 1,-0.3 -2,-0.2 0.837 114.0 56.5 -71.8 -33.2 26.9 -16.1 8.5 83 83 A S T 3< S+ 0 0 2 -4,-2.2 -1,-0.3 -5,-0.4 -2,-0.2 0.462 115.2 41.1 -78.0 0.8 28.4 -15.2 11.9 84 84 A S T < S+ 0 0 44 -3,-1.1 -1,-0.3 -4,-0.2 -2,-0.2 0.062 98.5 102.7-131.7 20.5 25.8 -12.5 12.1 85 85 A M < - 0 0 1 -3,-1.4 2,-0.3 -51,-0.4 5,-0.1 -0.210 56.4-143.4 -90.8-174.7 22.9 -14.4 10.7 86 86 A R > - 0 0 99 -53,-0.2 3,-2.3 3,-0.1 36,-0.5 -0.972 28.1-111.5-149.4 155.0 19.9 -16.1 12.4 87 87 A K T 3 S+ 0 0 100 1,-0.3 -54,-0.1 -2,-0.3 -58,-0.0 0.657 123.0 34.7 -65.3 -14.3 18.0 -19.3 11.6 88 88 A N T 3 S+ 0 0 99 -56,-0.1 -1,-0.3 -59,-0.0 -61,-0.3 0.018 109.2 87.0-124.1 25.1 15.0 -17.2 10.6 89 89 A E < - 0 0 8 -3,-2.3 33,-0.6 33,-0.3 2,-0.3 -0.750 51.6-167.1-123.6 166.7 16.9 -14.3 9.1 90 90 A K E +BF 24 121A 44 -66,-1.4 -66,-3.0 -2,-0.2 -67,-1.5 -0.935 6.7 174.8-158.8 133.7 18.5 -13.5 5.7 91 91 A C E -BF 22 120A 4 29,-1.2 29,-1.8 -2,-0.3 2,-0.6 -0.967 28.5-126.7-136.8 153.9 20.9 -10.9 4.3 92 92 A L E -BF 21 119A 30 -71,-2.6 -71,-3.6 -2,-0.3 2,-0.3 -0.908 30.6-158.4-101.2 121.5 22.6 -10.2 0.9 93 93 A V E -BF 20 118A 0 25,-1.9 25,-1.9 -2,-0.6 2,-0.6 -0.736 12.2-131.9-106.4 145.6 26.3 -10.0 1.3 94 94 A R E - F 0 117A 32 -75,-3.1 2,-0.9 -2,-0.3 -75,-0.5 -0.862 13.1-157.2 -96.5 118.1 28.8 -8.3 -1.1 95 95 A I E + F 0 116A 12 21,-3.1 21,-2.3 -2,-0.6 2,-0.1 -0.838 20.8 178.4 -96.4 101.3 31.8 -10.4 -2.0 96 96 A E > - 0 0 80 -2,-0.9 4,-1.4 19,-0.2 3,-0.4 -0.439 46.6 -91.1 -92.6 173.3 34.5 -7.9 -3.0 97 97 A S T 4>S+ 0 0 38 16,-0.4 5,-1.9 1,-0.3 3,-0.5 0.913 130.2 38.3 -51.4 -50.1 38.1 -8.8 -4.1 98 98 A M T 45S+ 0 0 134 1,-0.2 -1,-0.3 4,-0.1 -21,-0.1 0.661 112.6 58.5 -77.5 -16.8 39.4 -8.5 -0.5 99 99 A Y T 45S+ 0 0 13 -3,-0.4 -22,-2.4 -23,-0.1 -23,-1.1 0.652 118.0 27.3 -85.6 -17.2 36.3 -10.1 0.9 100 100 A G T <5S- 0 0 10 -4,-1.4 2,-0.6 -3,-0.5 3,-0.4 -0.331 115.4 -61.1-120.9-154.2 36.9 -13.2 -1.1 101 101 A Y T >5S+ 0 0 61 1,-0.2 4,-2.2 5,-0.2 -3,-0.1 -0.226 79.4 127.6 -93.4 47.3 39.9 -15.0 -2.6 102 102 A G T 4