==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=14-JUN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 18-OCT-10 3PA7 . COMPND 2 MOLECULE: 70 KDA PEPTIDYLPROLYL ISOMERASE, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM VIVAX; . AUTHOR A.M.BALAKRISHNA,R.ALAG,H.S.YOON . 251 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14007.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 185 73.7 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 . 85 33.9 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 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 . 34 13.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 5 2.0 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 2 0 0 0 2 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 . 3 0 4 3 1 2 0 0 0 2 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 0 0 0 0 0 0 1 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 Q 0 0 245 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 18.2 -35.2 10.4 -31.0 2 4 A E - 0 0 160 1,-0.0 2,-0.4 0, 0.0 0, 0.0 -0.528 360.0-167.2 -77.3 131.8 -32.4 8.6 -29.2 3 5 A T - 0 0 123 -2,-0.3 2,-0.2 0, 0.0 -1,-0.0 -0.952 17.0-123.2-126.1 143.8 -29.9 10.7 -27.3 4 6 A L - 0 0 73 -2,-0.4 2,-0.7 1,-0.1 16,-0.1 -0.542 21.5-113.0 -92.9 143.8 -26.6 9.4 -25.9 5 7 A E - 0 0 112 14,-0.3 14,-1.4 -2,-0.2 2,-0.5 -0.620 30.6-168.5 -79.3 111.8 -25.4 9.6 -22.3 6 8 A Q E -A 18 0A 99 -2,-0.7 126,-0.5 12,-0.2 2,-0.5 -0.899 6.2-156.6-102.7 123.9 -22.4 11.9 -21.8 7 9 A V E -A 17 0A 2 10,-3.2 10,-2.6 -2,-0.5 2,-0.6 -0.856 12.7-135.3-109.6 126.9 -20.6 11.8 -18.5 8 10 A H E -AB 16 130A 26 122,-2.3 122,-1.1 -2,-0.5 8,-0.2 -0.683 18.8-176.2 -77.7 116.5 -18.5 14.6 -16.9 9 11 A L + 0 0 13 6,-2.7 118,-0.3 -2,-0.6 2,-0.3 0.422 69.1 42.4 -96.0 -2.9 -15.2 13.0 -15.6 10 12 A T S S- 0 0 3 5,-0.5 3,-0.5 120,-0.1 120,-0.3 -0.851 82.9-120.5-132.6 170.2 -14.0 16.3 -14.2 11 13 A E S S+ 0 0 122 -2,-0.3 -3,-0.0 1,-0.2 -1,-0.0 0.665 108.3 59.4 -89.6 -17.0 -15.7 19.0 -12.2 12 14 A D S S- 0 0 85 3,-0.0 -1,-0.2 1,-0.0 -3,-0.0 0.322 107.9-117.9 -91.5 6.7 -14.8 21.8 -14.7 13 15 A G S S+ 0 0 23 -3,-0.5 3,-0.2 2,-0.2 -2,-0.1 0.703 80.1 125.1 62.8 18.5 -16.7 20.1 -17.7 14 16 A G + 0 0 1 1,-0.2 79,-2.5 78,-0.1 2,-0.3 0.451 69.2 44.6 -88.3 -4.7 -13.3 19.8 -19.4 15 17 A V E + C 0 92A 0 77,-0.2 -6,-2.7 -5,-0.1 2,-0.6 -0.831 69.1 169.5-134.7 100.1 -13.6 16.1 -20.0 16 18 A V E -AC 8 91A 11 75,-1.9 75,-2.6 -2,-0.3 2,-0.6 -0.943 16.3-158.4-116.1 118.7 -17.0 14.9 -21.2 17 19 A K E -AC 7 90A 5 -10,-2.6 -10,-3.2 -2,-0.6 2,-0.6 -0.850 7.2-168.1-103.1 120.9 -17.3 11.4 -22.4 18 20 A T E -AC 6 89A 31 71,-2.9 71,-2.8 -2,-0.6 2,-0.8 -0.936 20.1-140.9-100.7 119.5 -20.1 10.3 -24.7 19 21 A I E + C 0 88A 19 -14,-1.4 -14,-0.3 -2,-0.6 69,-0.2 -0.748 25.3 174.4 -87.2 113.5 -20.3 6.5 -24.9 20 22 A L E S+ 0 0 81 67,-1.1 2,-0.4 -2,-0.8 68,-0.2 0.866 78.7 18.4 -82.5 -39.7 -21.0 5.4 -28.4 21 23 A R E S- C 0 87A 88 66,-2.2 66,-2.9 0, 0.0 -1,-0.3 -0.961 81.3-132.9-134.7 118.4 -20.6 1.7 -27.6 22 24 A K - 0 0 118 -2,-0.4 3,-0.1 64,-0.2 60,-0.0 -0.338 22.9-140.8 -60.8 144.0 -20.7 0.3 -24.0 23 25 A G - 0 0 18 1,-0.2 2,-0.3 63,-0.1 62,-0.2 0.295 41.5 -53.4 -84.0-147.0 -17.9 -2.1 -23.1 24 26 A E - 0 0 90 60,-1.4 -1,-0.2 5,-0.2 60,-0.2 -0.770 44.2-136.6 -97.9 148.7 -18.0 -5.3 -21.0 25 27 A G + 0 0 80 -2,-0.3 124,-0.2 58,-0.1 2,-0.1 0.440 63.8 103.0 -90.1 -3.1 -19.6 -5.1 -17.5 26 28 A G S > S- 0 0 21 1,-0.1 3,-0.6 58,-0.1 58,-0.2 -0.367 73.4-126.2 -82.1 159.4 -17.2 -7.1 -15.3 27 29 A E G > S+ 0 0 147 1,-0.2 3,-2.2 2,-0.2 -1,-0.1 0.885 114.1 61.4 -63.9 -40.6 -14.6 -5.9 -12.8 28 30 A E G 3 S+ 0 0 146 1,-0.3 -1,-0.2 55,-0.0 -3,-0.0 0.707 99.5 57.7 -53.1 -24.4 -12.1 -8.1 -14.8 29 31 A N G < S+ 0 0 25 -3,-0.6 55,-2.2 2,-0.1 -1,-0.3 0.406 87.0 94.1 -92.1 0.6 -12.9 -5.9 -17.7 30 32 A A S < S- 0 0 27 -3,-2.2 2,-0.2 53,-0.2 53,-0.2 -0.852 72.8-131.1-101.9 125.8 -11.8 -2.7 -16.0 31 33 A P - 0 0 12 0, 0.0 2,-0.2 0, 0.0 -2,-0.1 -0.511 19.4-147.8 -80.6 138.5 -8.2 -1.5 -16.5 32 34 A K > - 0 0 136 -2,-0.2 3,-2.5 1,-0.1 34,-0.3 -0.680 34.1 -76.0-103.9 157.0 -6.1 -0.5 -13.5 33 35 A K T 3 S+ 0 0 161 1,-0.3 34,-0.2 -2,-0.2 -1,-0.1 -0.236 120.1 20.3 -50.7 123.9 -3.3 2.2 -13.2 34 36 A G T 3 S+ 0 0 17 32,-2.6 -1,-0.3 1,-0.4 33,-0.1 0.214 90.3 133.5 97.7 -15.4 -0.1 0.9 -14.8 35 37 A N < - 0 0 6 -3,-2.5 31,-2.5 30,-0.1 2,-0.8 -0.420 64.1-116.9 -62.1 140.6 -1.9 -1.6 -17.0 36 38 A E E -DE 65 123A 29 87,-2.2 87,-1.1 29,-0.2 2,-0.3 -0.757 36.4-161.5 -80.5 113.1 -0.8 -1.6 -20.6 37 39 A V E -DE 64 122A 0 27,-3.0 27,-1.8 -2,-0.8 2,-0.5 -0.757 10.6-150.7 -97.4 144.3 -3.9 -0.6 -22.6 38 40 A T E +DE 63 121A 13 83,-3.2 82,-1.3 -2,-0.3 83,-1.3 -0.976 28.9 167.3-112.1 125.2 -4.3 -1.2 -26.3 39 41 A V E -DE 62 119A 0 23,-2.5 23,-2.5 -2,-0.5 2,-0.4 -0.895 32.4-146.3-130.3 159.4 -6.6 1.4 -28.0 40 42 A H E + E 0 118A 26 78,-2.1 78,-2.9 -2,-0.3 2,-0.3 -0.987 32.9 172.7-117.5 143.4 -7.6 2.6 -31.4 41 43 A Y E - E 0 117A 5 -2,-0.4 14,-2.5 76,-0.2 15,-1.0 -0.972 29.5-155.9-147.4 160.5 -8.4 6.4 -31.6 42 44 A V E -FE 54 116A 29 74,-1.4 74,-2.4 -2,-0.3 2,-0.5 -0.992 17.3-159.4-136.4 125.4 -9.2 9.2 -34.0 43 45 A G E +FE 53 115A 0 10,-4.2 9,-2.9 -2,-0.4 10,-1.7 -0.946 18.1 163.6-115.1 122.3 -8.4 12.8 -32.9 44 46 A K E -FE 51 114A 88 70,-2.7 70,-3.0 -2,-0.5 7,-0.2 -0.961 39.8-107.9-132.6 150.6 -10.1 15.7 -34.5 45 47 A L E > - E 0 113A 16 5,-1.8 4,-1.0 -2,-0.3 68,-0.2 -0.470 24.8-134.1 -71.6 148.5 -10.5 19.4 -33.5 46 48 A E T 4 S+ 0 0 84 66,-2.5 -1,-0.1 2,-0.1 67,-0.1 0.940 99.6 46.1 -68.0 -47.0 -13.9 20.3 -32.3 47 49 A S T 4 S+ 0 0 115 65,-0.4 -1,-0.1 1,-0.2 66,-0.1 0.951 126.3 24.2 -63.8 -55.9 -14.2 23.5 -34.4 48 50 A S T 4 S- 0 0 64 2,-0.1 -1,-0.2 1,-0.0 -2,-0.1 0.680 90.5-137.0 -85.4 -20.7 -12.9 22.4 -37.8 49 51 A G < + 0 0 36 -4,-1.0 2,-0.5 1,-0.2 -3,-0.1 0.661 51.7 152.4 67.1 17.2 -13.8 18.7 -37.4 50 52 A K - 0 0 145 56,-0.1 -5,-1.8 1,-0.1 2,-0.3 -0.697 48.3-124.2 -88.2 126.0 -10.4 18.0 -38.9 51 53 A V E +F 44 0A 67 -2,-0.5 -7,-0.3 -7,-0.2 3,-0.1 -0.488 33.0 169.8 -63.1 118.8 -8.5 14.8 -38.1 52 54 A F E + 0 0 40 -9,-2.9 2,-0.3 -2,-0.3 -8,-0.2 0.658 69.6 14.7-101.4 -21.9 -5.0 15.6 -36.7 53 55 A D E +F 43 0A 39 -10,-1.7 -10,-4.2 53,-0.1 -1,-0.3 -0.976 60.2 169.2-157.4 135.6 -4.2 12.1 -35.5 54 56 A S E > -F 42 0A 6 -2,-0.3 4,-1.1 -12,-0.3 -12,-0.2 -0.946 25.4-164.4-151.0 125.8 -5.6 8.6 -36.0 55 57 A S H >>S+ 0 0 0 -14,-2.5 5,-1.9 -2,-0.3 4,-0.8 0.719 99.0 61.9 -75.6 -20.5 -4.3 5.1 -35.1 56 58 A R H >45S+ 0 0 82 -15,-1.0 3,-0.6 2,-0.2 -1,-0.2 0.928 98.9 52.0 -70.2 -45.7 -6.9 3.8 -37.6 57 59 A E H 345S+ 0 0 153 1,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.909 113.7 46.2 -50.8 -44.6 -5.2 5.7 -40.5 58 60 A R H 3<5S- 0 0 114 -4,-1.1 -1,-0.3 2,-0.2 -2,-0.2 0.685 102.5-139.7 -72.1 -20.5 -2.0 4.0 -39.4 59 61 A N T <<5 + 0 0 140 -4,-0.8 -3,-0.2 -3,-0.6 -2,-0.1 0.835 68.0 110.7 60.7 31.4 -3.8 0.6 -39.1 60 62 A V < - 0 0 87 -5,-1.9 -1,-0.2 0, 0.0 -2,-0.2 -0.972 69.4-123.1-137.4 125.7 -1.8 0.1 -35.9 61 63 A P - 0 0 56 0, 0.0 2,-0.5 0, 0.0 -21,-0.2 -0.284 25.1-125.2 -62.8 149.7 -3.2 -0.0 -32.3 62 64 A F E -D 39 0A 34 -23,-2.5 -23,-2.5 2,-0.0 2,-0.4 -0.853 23.6-161.9 -99.8 129.3 -1.7 2.4 -29.8 63 65 A K E +D 38 0A 120 -2,-0.5 2,-0.3 -25,-0.2 -25,-0.2 -0.914 20.2 147.7-114.1 132.2 -0.3 1.0 -26.5 64 66 A F E -D 37 0A 3 -27,-1.8 -27,-3.0 -2,-0.4 2,-0.7 -0.973 47.7 -97.9-150.7 171.4 0.4 2.9 -23.3 65 67 A H E > > -D 36 0A 63 -2,-0.3 3,-0.9 -29,-0.2 5,-0.5 -0.843 43.9-123.2 -97.6 118.5 0.4 2.5 -19.5 66 68 A L T 3 5S+ 0 0 4 -31,-2.5 -32,-2.6 -2,-0.7 10,-0.1 -0.257 84.8 10.0 -58.8 137.6 -2.7 3.9 -17.9 67 69 A G T 3 5S+ 0 0 33 -34,-0.2 -1,-0.2 -33,-0.1 -34,-0.1 0.701 97.5 101.2 73.0 27.6 -2.4 6.6 -15.3 68 70 A Q T < 5S- 0 0 105 -3,-0.9 -2,-0.1 -34,-0.0 -1,-0.1 0.210 94.6-102.8-129.6 14.7 1.3 7.5 -15.7 69 71 A G T 5S+ 0 0 49 2,-0.1 4,-0.1 3,-0.1 -3,-0.1 0.720 82.7 127.2 68.7 21.9 1.4 10.7 -17.8 70 72 A E S > - 0 0 3 -2,-0.3 4,-1.3 1,-0.1 3,-1.1 -0.132 56.4-103.2 -45.0 147.3 -2.3 13.9 -22.4 73 75 A K H 3> S+ 0 0 129 24,-0.3 4,-2.1 1,-0.2 3,-0.3 0.847 117.4 58.3 -41.0 -52.6 -4.3 14.4 -19.1 74 76 A G H 3> S+ 0 0 0 22,-2.0 4,-2.9 1,-0.2 -1,-0.2 0.811 103.5 52.9 -56.3 -36.8 -7.7 13.8 -20.8 75 77 A W H <> S+ 0 0 0 -3,-1.1 4,-3.3 21,-0.3 5,-0.4 0.918 107.6 49.8 -63.8 -48.1 -6.8 10.4 -22.0 76 78 A D H X S+ 0 0 23 -4,-1.3 4,-1.3 -3,-0.3 -2,-0.2 0.894 116.4 43.0 -58.4 -41.6 -5.6 9.2 -18.6 77 79 A I H X S+ 0 0 45 -4,-2.1 4,-0.5 2,-0.2 -2,-0.2 0.930 118.7 44.4 -69.3 -44.4 -8.9 10.4 -17.1 78 80 A C H >< S+ 0 0 0 -4,-2.9 3,-1.5 -5,-0.2 4,-0.3 0.952 114.2 45.6 -68.7 -50.7 -11.0 9.0 -20.0 79 81 A V H >< S+ 0 0 0 -4,-3.3 3,-2.1 1,-0.3 -1,-0.2 0.897 105.4 63.0 -61.6 -38.1 -9.4 5.6 -20.4 80 82 A A H 3< S+ 0 0 58 -4,-1.3 -1,-0.3 -5,-0.4 -2,-0.2 0.742 104.6 49.2 -55.5 -22.5 -9.5 5.1 -16.6 81 83 A S T << S+ 0 0 41 -3,-1.5 -1,-0.3 -4,-0.5 -2,-0.2 0.444 98.4 90.8 -97.8 -1.0 -13.3 5.3 -16.9 82 84 A M < - 0 0 2 -3,-2.1 2,-0.3 -4,-0.3 -60,-0.1 -0.472 58.0-150.8 -97.3 163.6 -13.6 2.8 -19.7 83 85 A T > - 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