==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-OCT-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 15-JUN-10 3NI6 . COMPND 2 MOLECULE: 70 KDA PEPTIDYLPROLYL ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM VIVAX; . AUTHOR I.A.QURESHI,H.S.YOON,J.LESCAR . 245 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13208.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 179 73.1 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 . 86 35.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 1.6 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 . 25 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 10.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 21 8.6 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 . 2 0 4 2 0 4 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 1 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 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 3,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -15.2 4.5 -9.6 7.8 2 4 A E - 0 0 158 1,-0.1 2,-0.6 0, 0.0 0, 0.0 -0.269 360.0-101.6 -53.9 142.1 1.7 -7.9 9.7 3 5 A T - 0 0 141 1,-0.0 2,-0.4 0, 0.0 -1,-0.1 -0.619 50.9-169.2 -68.7 111.7 -1.2 -10.3 10.8 4 6 A L - 0 0 57 -2,-0.6 2,-0.1 -3,-0.1 16,-0.1 -0.893 21.3-116.6-116.8 138.7 -3.9 -9.6 8.2 5 7 A E - 0 0 160 -2,-0.4 14,-0.7 14,-0.1 2,-0.5 -0.350 25.8-139.7 -66.6 138.1 -7.5 -10.6 8.1 6 8 A Q E -A 18 0A 127 12,-0.2 2,-0.7 -2,-0.1 12,-0.2 -0.909 8.2-152.3-105.8 136.4 -8.5 -12.8 5.3 7 9 A V E -A 17 0A 55 10,-3.2 10,-3.0 -2,-0.5 2,-0.6 -0.904 5.6-149.6-109.1 113.2 -11.8 -12.3 3.6 8 10 A H E -A 16 0A 112 -2,-0.7 8,-0.2 8,-0.2 6,-0.0 -0.767 13.2-176.7 -79.1 123.0 -13.5 -15.3 2.1 9 11 A L + 0 0 48 6,-2.7 2,-0.3 -2,-0.6 7,-0.1 0.446 69.6 39.3-102.4 -3.4 -15.6 -14.2 -1.0 10 12 A T S > S- 0 0 25 5,-0.6 3,-0.7 1,-0.0 5,-0.1 -0.913 81.8-121.5-134.9 164.9 -17.0 -17.6 -1.8 11 13 A E T 3 S+ 0 0 211 -2,-0.3 -3,-0.0 1,-0.2 -1,-0.0 0.615 106.1 62.2 -82.1 -9.7 -18.2 -20.4 0.5 12 14 A D T 3 S- 0 0 83 3,-0.0 -1,-0.2 1,-0.0 -4,-0.0 0.340 107.8-115.0-100.1 7.6 -15.7 -22.9 -0.9 13 15 A G S < S+ 0 0 20 -3,-0.7 3,-0.1 2,-0.2 -2,-0.1 0.509 83.0 120.7 73.7 3.3 -12.4 -21.2 0.1 14 16 A G S S+ 0 0 0 1,-0.2 79,-2.5 78,-0.1 2,-0.4 0.595 71.5 40.4 -80.1 -15.7 -11.6 -20.7 -3.6 15 17 A V E + B 0 92A 0 77,-0.2 -6,-2.7 -5,-0.1 -5,-0.6 -0.916 69.6 167.8-134.2 105.9 -11.4 -16.8 -3.5 16 18 A V E -AB 8 91A 10 75,-2.0 75,-2.6 -2,-0.4 2,-0.4 -0.979 15.4-160.9-126.2 117.5 -9.7 -15.4 -0.4 17 19 A K E -AB 7 90A 7 -10,-3.0 -10,-3.2 -2,-0.5 2,-0.5 -0.857 6.7-165.1-105.1 130.0 -8.7 -11.8 -0.3 18 20 A T E -AB 6 89A 31 71,-3.1 71,-2.6 -2,-0.4 2,-0.6 -0.975 21.0-136.0-108.1 120.2 -6.1 -10.3 2.1 19 21 A I E + B 0 88A 28 -14,-0.7 69,-0.3 -2,-0.5 3,-0.2 -0.686 26.5 174.0 -80.1 119.5 -6.3 -6.4 2.3 20 22 A L E S+ 0 0 77 67,-2.3 2,-0.4 -2,-0.6 68,-0.2 0.831 78.1 16.8 -88.8 -38.8 -2.8 -4.9 2.1 21 23 A R E S- B 0 87A 83 66,-2.4 66,-2.2 64,-0.0 -1,-0.3 -0.963 83.6-130.3-136.8 116.9 -3.9 -1.3 2.0 22 24 A K - 0 0 144 -2,-0.4 3,-0.1 64,-0.2 60,-0.0 -0.392 25.5-143.2 -65.5 139.1 -7.5 -0.4 2.9 23 25 A G - 0 0 18 1,-0.2 62,-0.2 -2,-0.1 61,-0.1 -0.043 38.1 -53.3 -86.4-163.8 -9.2 1.8 0.4 24 26 A E - 0 0 93 60,-3.1 -1,-0.2 5,-0.2 60,-0.1 -0.432 59.5-113.0 -75.9 147.4 -11.6 4.7 0.8 25 27 A G + 0 0 60 -2,-0.1 -1,-0.1 -3,-0.1 3,-0.1 -0.376 65.5 41.8 -78.0 156.1 -14.7 4.2 2.9 26 28 A G S S- 0 0 32 1,-0.1 3,-0.4 2,-0.1 -2,-0.0 -0.143 83.6 -83.7 103.2 169.7 -18.3 4.2 1.8 27 29 A E S > S+ 0 0 138 1,-0.2 3,-1.5 2,-0.2 -1,-0.1 0.778 119.5 66.0 -86.6 -28.6 -20.6 3.0 -1.0 28 30 A E T 3 S+ 0 0 147 1,-0.2 -1,-0.2 -3,-0.1 -2,-0.1 0.655 102.1 54.8 -57.9 -17.6 -19.8 5.8 -3.3 29 31 A N T 3 S+ 0 0 25 -3,-0.4 55,-2.5 -5,-0.1 -1,-0.2 0.381 90.5 86.1-104.9 3.6 -16.3 4.3 -3.3 30 32 A A S < S- 0 0 12 -3,-1.5 53,-0.2 53,-0.2 50,-0.1 -0.875 78.2-123.0-104.0 131.2 -17.3 0.7 -4.3 31 33 A P - 0 0 7 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.401 25.2-142.3 -72.2 153.0 -17.6 -0.1 -8.0 32 34 A K > - 0 0 100 1,-0.1 3,-2.3 91,-0.1 34,-0.3 -0.757 33.2 -73.6-114.1 159.8 -20.9 -1.5 -9.3 33 35 A K T 3 S+ 0 0 167 -2,-0.3 34,-0.2 1,-0.3 3,-0.1 -0.285 120.7 19.4 -51.4 129.3 -21.8 -4.2 -11.9 34 36 A G T 3 S+ 0 0 30 32,-2.9 -1,-0.3 1,-0.3 33,-0.1 0.090 92.3 131.0 95.1 -19.3 -21.1 -2.8 -15.4 35 37 A N < - 0 0 14 -3,-2.3 31,-2.7 30,-0.1 2,-0.6 -0.276 63.8-115.5 -61.9 147.9 -18.7 -0.0 -14.3 36 38 A E E -CD 65 123A 33 87,-2.1 87,-2.2 29,-0.2 2,-0.4 -0.771 37.5-163.5 -81.9 121.5 -15.4 0.4 -16.0 37 39 A V E -CD 64 122A 0 27,-3.1 27,-1.7 -2,-0.6 2,-0.5 -0.850 11.6-151.6-107.6 149.3 -12.7 -0.3 -13.5 38 40 A T E +CD 63 121A 6 83,-2.9 82,-2.2 -2,-0.4 83,-1.5 -0.981 26.3 165.5-118.9 126.3 -9.1 0.5 -13.7 39 41 A V E -CD 62 119A 0 23,-2.8 23,-2.9 -2,-0.5 2,-0.4 -0.917 32.5-142.4-132.8 157.8 -6.6 -1.6 -11.8 40 42 A H E + D 0 118A 21 78,-1.9 78,-2.7 -2,-0.3 2,-0.3 -0.955 34.4 176.9-110.8 148.0 -2.9 -2.4 -11.5 41 43 A Y E - D 0 117A 11 -2,-0.4 14,-1.8 76,-0.2 15,-1.1 -0.992 30.3-160.7-149.1 157.4 -2.1 -6.1 -10.9 42 44 A V E -ED 54 116A 34 74,-1.9 74,-2.5 -2,-0.3 2,-0.5 -0.979 19.1-162.7-135.5 120.0 0.7 -8.6 -10.5 43 45 A G E +ED 53 115A 0 10,-3.2 9,-2.1 -2,-0.4 10,-1.3 -0.916 14.3 168.4-109.2 128.3 -0.2 -12.3 -11.1 44 46 A K E -ED 51 114A 96 70,-2.8 70,-3.0 -2,-0.5 2,-0.4 -0.956 38.1-108.0-132.8 156.0 1.9 -15.2 -9.9 45 47 A L E > - D 0 113A 12 5,-2.2 4,-2.3 -2,-0.3 68,-0.2 -0.693 22.2-144.2 -76.6 134.5 1.6 -18.9 -9.5 46 48 A E T 4 S+ 0 0 89 66,-2.4 -1,-0.2 -2,-0.4 67,-0.1 0.926 95.9 54.8 -61.1 -45.7 1.4 -19.9 -5.8 47 49 A S T 4 S+ 0 0 106 65,-0.5 -1,-0.2 1,-0.2 66,-0.1 0.907 127.3 13.7 -61.8 -44.2 3.4 -23.1 -6.4 48 50 A S T 4 S- 0 0 57 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.625 89.7-128.1-108.0 -13.2 6.5 -21.5 -7.9 49 51 A G < + 0 0 39 -4,-2.3 2,-0.2 1,-0.3 -3,-0.1 0.448 54.3 153.5 75.1 4.3 6.1 -17.9 -7.3 50 52 A K - 0 0 149 -5,-0.1 -5,-2.2 -6,-0.1 2,-0.5 -0.464 45.5-128.7 -72.0 130.7 6.7 -17.1 -11.0 51 53 A V E +E 44 0A 79 -7,-0.2 -7,-0.3 -2,-0.2 3,-0.1 -0.694 28.5 177.2 -77.8 118.9 5.1 -13.9 -12.2 52 54 A F E + 0 0 35 -9,-2.1 2,-0.3 -2,-0.5 -8,-0.2 0.626 66.4 7.0 -99.3 -15.4 3.0 -14.7 -15.3 53 55 A D E +E 43 0A 54 -10,-1.3 -10,-3.2 53,-0.1 -1,-0.3 -0.907 59.1 177.3-166.9 136.9 1.5 -11.3 -15.9 54 56 A S E > -E 42 0A 12 -2,-0.3 4,-1.0 -12,-0.2 -12,-0.2 -0.918 19.8-170.1-148.0 116.5 2.0 -7.8 -14.5 55 57 A S H >>S+ 0 0 0 -14,-1.8 5,-1.7 -2,-0.3 4,-1.0 0.771 95.1 63.2 -70.8 -25.2 0.4 -4.5 -15.6 56 58 A R H 45S+ 0 0 80 -15,-1.1 3,-0.2 1,-0.2 -1,-0.2 0.881 99.5 52.0 -65.3 -37.6 2.9 -2.8 -13.3 57 59 A E H 45S+ 0 0 167 1,-0.2 -1,-0.2 2,-0.1 -2,-0.2 0.862 112.8 45.5 -64.5 -35.9 5.8 -4.1 -15.4 58 60 A R H <5S- 0 0 23 -4,-1.0 -1,-0.2 2,-0.2 -2,-0.2 0.665 102.7-135.7 -78.3 -17.8 4.1 -2.6 -18.5 59 61 A N T <5 + 0 0 134 -4,-1.0 -3,-0.2 -3,-0.2 -2,-0.1 0.782 68.8 117.2 61.1 33.5 3.4 0.6 -16.7 60 62 A V < - 0 0 15 -5,-1.7 -1,-0.2 127,-0.0 -2,-0.2 -0.960 63.8-133.9-133.9 108.5 -0.2 0.5 -18.1 61 63 A P - 0 0 51 0, 0.0 2,-0.4 0, 0.0 -21,-0.2 -0.295 26.3-124.3 -58.0 146.4 -3.2 0.2 -15.8 62 64 A F E -C 39 0A 48 -23,-2.9 -23,-2.8 124,-0.0 2,-0.4 -0.810 22.9-159.6-100.8 137.9 -5.7 -2.4 -17.0 63 65 A K E +C 38 0A 104 -2,-0.4 2,-0.3 -25,-0.2 -25,-0.2 -0.934 19.9 151.2-121.0 135.8 -9.4 -1.6 -17.7 64 66 A F E -C 37 0A 4 -27,-1.7 -27,-3.1 -2,-0.4 2,-0.6 -0.972 46.3 -99.3-152.7 165.8 -12.4 -3.9 -17.8 65 67 A H E > -C 36 0A 58 -2,-0.3 3,-0.9 -29,-0.2 5,-0.4 -0.817 44.8-123.2 -91.1 124.2 -16.1 -3.9 -17.2 66 68 A L T 3 S+ 0 0 3 -31,-2.7 -32,-2.9 -2,-0.6 10,-0.1 -0.376 83.0 11.5 -69.8 138.4 -17.0 -5.4 -13.8 67 69 A G T 3 S+ 0 0 30 -34,-0.2 -1,-0.2 -2,-0.1 -34,-0.1 0.658 92.0 106.3 79.6 23.5 -19.3 -8.4 -13.5 68 70 A Q S < S- 0 0 98 -3,-0.9 -2,-0.1 -34,-0.0 -1,-0.1 0.364 89.4-111.1-112.2 -3.8 -19.5 -9.4 -17.2 69 71 A G S S+ 0 0 62 -4,-0.1 4,-0.1 3,-0.1 -3,-0.1 0.773 81.9 125.5 75.3 23.4 -17.4 -12.5 -17.3 70 72 A E S S+ 0 0 76 -5,-0.4 2,-0.3 2,-0.1 -4,-0.1 0.482 72.2 37.9 -94.9 1.6 -14.8 -10.7 -19.3 71 73 A V S S- 0 0 28 1,-0.1 5,-0.1 -6,-0.1 -7,-0.0 -0.824 112.9 -66.4-131.7 168.8 -12.0 -11.6 -16.8 72 74 A I >> - 0 0 21 -2,-0.3 4,-1.7 1,-0.1 3,-1.2 -0.212 53.2-109.5 -55.6 153.3 -11.5 -14.8 -14.9 73 75 A K H 3> S+ 0 0 129 24,-0.4 4,-2.3 1,-0.3 5,-0.2 0.875 116.1 58.3 -59.7 -38.4 -14.2 -15.5 -12.3 74 76 A G H 3> S+ 0 0 0 22,-2.5 4,-2.5 1,-0.2 -1,-0.3 0.806 104.6 52.6 -62.6 -27.0 -12.0 -14.8 -9.3 75 77 A W H <> S+ 0 0 11 -3,-1.2 4,-2.9 21,-0.3 5,-0.4 0.906 107.6 49.5 -73.6 -42.9 -11.3 -11.3 -10.6 76 78 A D H X S+ 0 0 21 -4,-1.7 4,-1.5 1,-0.2 -2,-0.2 0.935 117.0 43.2 -58.2 -42.0 -15.0 -10.4 -11.0 77 79 A I H X S+ 0 0 41 -4,-2.3 4,-0.8 2,-0.2 -2,-0.2 0.942 117.4 45.0 -70.7 -49.1 -15.7 -11.6 -7.5 78 80 A C H >< S+ 0 0 0 -4,-2.5 3,-1.5 -5,-0.2 4,-0.3 0.961 113.1 47.3 -60.5 -52.7 -12.6 -10.0 -5.9 79 81 A V H >< S+ 0 0 0 -4,-2.9 3,-1.7 1,-0.3 -1,-0.2 0.865 104.5 61.8 -63.7 -32.4 -12.9 -6.6 -7.6 80 82 A A H 3< S+ 0 0 54 -4,-1.5 -1,-0.3 -5,-0.4 -2,-0.2 0.760 103.8 51.5 -58.7 -24.2 -16.6 -6.4 -6.7 81 83 A S T << S+ 0 0 40 -3,-1.5 -1,-0.3 -4,-0.8 -2,-0.2 0.423 97.2 91.1 -90.4 -6.0 -15.5 -6.5 -3.0 82 84 A M < - 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