==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=26-JAN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 31-JUL-09 3IHZ . COMPND 2 MOLECULE: 70 KDA PEPTIDYLPROLYL ISOMERASE, PUTATIVE; . SOURCE 2 ORGANISM_SCIENTIFIC: PLASMODIUM VIVAX; . AUTHOR I.A.QURESHI,R.ALAG,H.S.YOON,J.LESCAR . 244 2 1 0 1 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13210.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 181 74.2 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 . 86 35.2 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 . 1 0.4 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 . 24 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 11.5 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 . 4 1.6 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 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 4 A E 0 0 217 0, 0.0 2,-0.4 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -6.5 -3.8 -6.7 4.0 2 5 A T - 0 0 113 1,-0.0 2,-0.6 2,-0.0 0, 0.0 -0.344 360.0-173.7 -63.4 113.9 -6.8 -5.7 2.0 3 6 A L + 0 0 109 -2,-0.4 2,-0.5 2,-0.0 16,-0.1 -0.939 5.2 177.8 -99.6 120.8 -7.8 -8.3 -0.6 4 7 A E + 0 0 66 -2,-0.6 14,-2.6 14,-0.4 2,-0.7 -0.915 2.8 176.4-124.6 106.9 -10.5 -7.0 -2.9 5 8 A Q E -A 17 0A 100 -2,-0.5 2,-0.6 12,-0.2 12,-0.3 -0.910 15.7-157.3-110.6 105.3 -11.5 -9.6 -5.5 6 9 A V E -A 16 0A 50 10,-3.1 10,-2.9 -2,-0.7 2,-0.8 -0.715 6.2-148.3 -92.9 119.4 -14.4 -8.1 -7.5 7 10 A H E +A 15 0A 125 -2,-0.6 8,-0.2 8,-0.2 6,-0.0 -0.762 18.1 179.0 -88.6 110.2 -16.6 -10.7 -9.3 8 11 A L + 0 0 48 6,-2.4 2,-0.3 -2,-0.8 -1,-0.2 0.558 63.1 39.9 -95.4 -7.1 -17.7 -8.9 -12.5 9 12 A T S > S- 0 0 28 5,-0.6 3,-1.2 1,-0.0 5,-0.2 -0.971 77.7-123.3-137.3 157.5 -19.7 -11.7 -13.9 10 13 A E T 3 S+ 0 0 204 -2,-0.3 -1,-0.0 1,-0.2 -3,-0.0 0.665 106.9 60.9 -71.4 -16.9 -22.1 -14.4 -12.5 11 14 A D T 3 S- 0 0 68 3,-0.0 -1,-0.2 1,-0.0 -3,-0.0 0.392 107.6-118.2 -96.4 5.0 -20.1 -17.2 -14.0 12 15 A G S < S+ 0 0 24 -3,-1.2 3,-0.1 2,-0.2 -2,-0.1 0.536 80.8 121.8 78.7 5.8 -16.9 -16.4 -12.1 13 16 A G + 0 0 0 1,-0.2 79,-2.5 78,-0.1 2,-0.4 0.578 68.2 43.8 -87.3 -10.0 -15.1 -15.9 -15.4 14 17 A V E + B 0 91A 0 77,-0.2 -6,-2.4 -5,-0.2 -5,-0.6 -0.920 66.3 167.8-134.1 105.0 -14.0 -12.3 -14.8 15 18 A V E -AB 7 90A 12 75,-2.0 75,-2.6 -2,-0.4 2,-0.7 -0.969 17.4-159.2-123.9 115.0 -12.5 -11.6 -11.3 16 19 A K E -AB 6 89A 6 -10,-2.9 -10,-3.1 -2,-0.5 2,-0.5 -0.853 0.5-160.4 -98.8 113.1 -10.7 -8.3 -10.8 17 20 A T E -AB 5 88A 34 71,-3.1 71,-2.6 -2,-0.7 2,-0.5 -0.788 19.7-133.6 -91.2 127.2 -8.3 -8.1 -7.9 18 21 A I E + B 0 87A 26 -14,-2.6 -14,-0.4 -2,-0.5 69,-0.2 -0.693 30.8 170.4 -88.5 122.9 -7.6 -4.5 -7.0 19 22 A L E S+ 0 0 92 67,-2.7 2,-0.3 -2,-0.5 68,-0.2 0.782 75.4 13.1 -98.2 -38.7 -3.9 -3.8 -6.5 20 23 A R E S- B 0 86A 84 66,-2.3 66,-2.1 0, 0.0 -1,-0.4 -0.978 82.6-123.0-137.2 128.1 -4.1 -0.0 -6.2 21 24 A K - 0 0 125 -2,-0.3 3,-0.1 64,-0.2 60,-0.0 -0.399 31.2-116.1 -67.4 144.8 -7.4 1.9 -5.7 22 25 A G - 0 0 19 1,-0.2 62,-0.2 -2,-0.1 61,-0.1 -0.128 43.3 -75.7 -67.6 171.7 -8.2 4.5 -8.3 23 26 A E - 0 0 85 60,-3.0 -1,-0.2 5,-0.1 5,-0.1 -0.396 58.4-109.1 -62.4 147.4 -8.5 8.2 -7.6 24 27 A G S S+ 0 0 63 -3,-0.1 -1,-0.1 58,-0.1 59,-0.1 -0.206 77.6 79.1 -71.2 175.0 -11.7 9.0 -5.8 25 28 A G S > S- 0 0 39 1,-0.1 3,-2.3 2,-0.1 -2,-0.0 0.519 77.1-117.7 91.6 118.4 -14.5 10.9 -7.5 26 29 A E G > S+ 0 0 149 1,-0.3 3,-1.9 2,-0.2 -1,-0.1 0.720 110.1 77.1 -56.1 -23.8 -16.9 9.3 -9.9 27 30 A E G 3 S+ 0 0 122 1,-0.3 -1,-0.3 55,-0.0 -2,-0.1 0.641 84.1 65.1 -62.8 -12.3 -15.4 11.7 -12.5 28 31 A N G < S+ 0 0 21 -3,-2.3 55,-4.9 -5,-0.1 -1,-0.3 0.203 84.7 93.3 -97.7 17.8 -12.4 9.4 -12.6 29 32 A A S < S- 0 0 37 -3,-1.9 53,-0.2 53,-0.3 50,-0.1 -0.943 71.0-133.4-112.2 124.0 -14.6 6.5 -14.1 30 33 A P - 0 0 12 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.195 14.0-140.8 -70.2 157.6 -14.8 6.0 -17.9 31 34 A K > - 0 0 149 1,-0.1 3,-2.4 91,-0.1 34,-0.3 -0.854 36.6 -80.5-113.9 155.0 -18.1 5.5 -19.8 32 35 A K T 3 S+ 0 0 163 -2,-0.3 34,-0.2 1,-0.3 3,-0.1 -0.238 120.2 29.4 -47.9 136.4 -18.8 3.1 -22.8 33 36 A G T 3 S+ 0 0 22 32,-2.8 -1,-0.3 1,-0.4 2,-0.1 0.049 90.8 121.9 94.2 -23.3 -17.5 4.8 -25.9 34 37 A N < - 0 0 19 -3,-2.4 31,-2.8 30,-0.1 2,-0.5 -0.422 68.6-117.9 -66.1 143.3 -14.8 6.8 -24.2 35 38 A E E -CD 64 122A 26 87,-2.0 87,-2.6 29,-0.3 2,-0.3 -0.760 35.5-163.2 -77.7 126.4 -11.2 6.2 -25.4 36 39 A V E -CD 63 121A 0 27,-2.9 27,-1.5 -2,-0.5 2,-0.4 -0.819 10.3-149.2-109.6 152.0 -9.2 4.7 -22.5 37 40 A T E +CD 62 120A 14 83,-3.1 82,-2.2 -2,-0.3 83,-1.4 -0.986 27.7 162.8-121.8 127.6 -5.4 4.6 -22.2 38 41 A V E -CD 61 118A 0 23,-2.6 23,-2.9 -2,-0.4 2,-0.4 -0.918 33.5-139.4-136.4 161.1 -3.9 1.7 -20.2 39 42 A H E - D 0 117A 25 78,-1.7 78,-2.7 -2,-0.3 2,-0.3 -0.933 32.2-178.7-112.8 151.0 -0.7 -0.2 -19.6 40 43 A Y E - D 0 116A 24 -2,-0.4 14,-2.2 76,-0.2 15,-0.8 -0.991 27.9-158.7-147.9 153.7 -0.9 -4.0 -19.2 41 44 A V E -ED 53 115A 28 74,-2.0 74,-2.8 -2,-0.3 2,-0.4 -0.973 21.4-160.9-130.1 122.7 1.0 -7.2 -18.5 42 45 A G E +ED 52 114A 0 10,-3.2 9,-3.0 -2,-0.4 10,-1.4 -0.876 16.4 163.3-106.5 132.4 -0.5 -10.4 -19.8 43 46 A K E -ED 50 113A 55 70,-2.9 70,-3.1 -2,-0.4 2,-0.4 -0.943 38.7-106.0-142.0 161.2 0.4 -13.9 -18.5 44 47 A L E > - D 0 112A 11 5,-2.0 4,-1.8 -2,-0.3 68,-0.2 -0.742 17.6-148.5 -84.7 133.3 -1.0 -17.4 -18.5 45 48 A E T 4 S+ 0 0 82 66,-2.3 -1,-0.2 -2,-0.4 67,-0.1 0.906 95.3 56.8 -63.0 -39.7 -2.4 -18.6 -15.2 46 49 A S T 4 S+ 0 0 102 65,-0.5 -1,-0.2 1,-0.2 66,-0.1 0.927 125.8 15.4 -63.1 -47.9 -1.4 -22.2 -16.1 47 50 A S T 4 S- 0 0 67 2,-0.1 -1,-0.2 0, 0.0 -2,-0.2 0.590 91.8-132.5 -99.8 -14.5 2.3 -21.7 -16.6 48 51 A G < + 0 0 41 -4,-1.8 2,-0.3 1,-0.2 -3,-0.1 0.486 56.8 145.5 70.0 3.9 2.6 -18.2 -15.0 49 52 A K - 0 0 149 -5,-0.1 -5,-2.0 56,-0.1 2,-0.3 -0.567 50.6-126.1 -81.5 134.0 4.6 -17.1 -18.1 50 53 A V E +E 43 0A 81 -2,-0.3 -7,-0.3 -7,-0.2 3,-0.1 -0.552 26.0 179.1 -69.8 135.8 4.2 -13.5 -19.4 51 54 A F E + 0 0 49 -9,-3.0 2,-0.3 1,-0.4 -8,-0.2 0.581 65.2 7.2-112.3 -12.4 3.2 -13.3 -23.1 52 55 A D E -E 42 0A 53 -10,-1.4 -10,-3.2 4,-0.0 -1,-0.4 -0.947 51.6-175.4-169.1 142.4 3.0 -9.5 -23.6 53 56 A S E > -E 41 0A 19 -2,-0.3 4,-1.0 -12,-0.2 -12,-0.2 -0.934 16.3-161.7-145.6 121.4 3.7 -6.3 -21.8 54 57 A S H >>S+ 0 0 0 -14,-2.2 5,-1.9 -2,-0.3 4,-0.6 0.776 98.0 59.7 -68.0 -26.3 2.8 -2.8 -23.0 55 58 A R H >45S+ 0 0 86 -15,-0.8 3,-0.6 1,-0.2 -1,-0.2 0.900 98.9 55.6 -67.3 -45.0 5.4 -1.6 -20.5 56 59 A E H 345S+ 0 0 170 1,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.818 115.6 37.3 -60.2 -34.7 8.2 -3.5 -22.0 57 60 A R H 3<5S- 0 0 110 -4,-1.0 -1,-0.3 2,-0.1 -2,-0.2 0.525 105.8-130.4 -96.2 -1.1 7.7 -2.0 -25.4 58 61 A N T <<5 + 0 0 129 -3,-0.6 -3,-0.2 -4,-0.6 -4,-0.1 0.855 66.4 124.6 57.1 41.1 6.8 1.4 -23.8 59 62 A V < - 0 0 79 -5,-1.9 -1,-0.2 2,-0.0 -2,-0.1 -0.894 54.7-141.6-133.0 100.1 3.6 1.9 -25.9 60 63 A P - 0 0 52 0, 0.0 2,-0.4 0, 0.0 -21,-0.2 -0.229 22.7-121.7 -56.2 152.4 0.4 2.5 -23.9 61 64 A F E -C 38 0A 68 -23,-2.9 -23,-2.6 2,-0.0 2,-0.4 -0.846 27.9-169.4-104.6 130.9 -2.6 0.7 -25.3 62 65 A K E +C 37 0A 118 -2,-0.4 2,-0.3 -25,-0.2 -25,-0.2 -0.964 15.5 148.9-120.8 143.6 -5.8 2.7 -26.3 63 66 A F E -C 36 0A 6 -27,-1.5 -27,-2.9 -2,-0.4 2,-0.6 -0.968 49.4 -97.6-157.9 162.2 -9.2 1.5 -27.3 64 67 A H E > -C 35 0A 33 -2,-0.3 3,-0.9 -29,-0.3 5,-0.5 -0.824 50.6-116.9 -85.6 122.5 -12.8 2.7 -27.1 65 68 A L T 3 S+ 0 0 2 -31,-2.8 -32,-2.8 -2,-0.6 -31,-0.1 -0.233 83.8 5.3 -65.7 135.4 -14.4 1.1 -24.1 66 69 A G T 3 S+ 0 0 26 -34,-0.2 -1,-0.2 1,-0.1 -34,-0.1 0.722 94.9 105.6 74.1 24.1 -17.4 -1.3 -24.4 67 70 A Q S < S- 0 0 103 -3,-0.9 -2,-0.1 -34,-0.0 -1,-0.1 0.197 95.4-101.9-120.7 14.7 -17.4 -1.6 -28.2 68 71 A G S S+ 0 0 60 3,-0.1 4,-0.1 1,-0.1 -3,-0.1 0.744 82.1 130.5 73.2 21.2 -16.0 -5.0 -28.8 69 72 A E S S+ 0 0 39 -5,-0.5 2,-0.3 2,-0.1 -1,-0.1 0.533 74.1 30.1 -81.0 -8.0 -12.6 -3.6 -29.8 70 73 A V S S- 0 0 27 -6,-0.1 5,-0.1 1,-0.1 -2,-0.0 -0.895 108.6 -63.9-141.6 166.5 -10.9 -6.0 -27.3 71 74 A I >> - 0 0 32 -2,-0.3 4,-1.4 1,-0.1 3,-1.4 -0.244 56.5-110.8 -54.1 146.1 -11.6 -9.5 -25.9 72 75 A K H 3> S+ 0 0 127 1,-0.3 4,-2.3 24,-0.3 5,-0.2 0.847 114.5 61.0 -56.8 -38.4 -14.7 -9.5 -23.9 73 76 A G H 3> S+ 0 0 0 22,-2.2 4,-2.4 1,-0.2 -1,-0.3 0.847 104.9 50.7 -57.0 -33.4 -13.0 -9.9 -20.5 74 77 A W H <> S+ 0 0 11 -3,-1.4 4,-2.7 21,-0.4 5,-0.3 0.899 107.1 50.8 -69.8 -44.9 -11.2 -6.6 -21.1 75 78 A D H X S+ 0 0 14 -4,-1.4 4,-1.7 1,-0.2 -2,-0.2 0.934 114.9 45.5 -58.6 -44.1 -14.3 -4.6 -21.9 76 79 A I H X S+ 0 0 37 -4,-2.3 4,-0.7 2,-0.2 -2,-0.2 0.931 116.1 45.0 -63.7 -49.3 -15.9 -6.0 -18.7 77 80 A C H >< S+ 0 0 0 -4,-2.4 3,-1.4 -5,-0.2 4,-0.2 0.960 113.5 46.8 -62.2 -50.5 -12.8 -5.3 -16.6 78 81 A V H >< S+ 0 0 0 -4,-2.7 3,-1.8 1,-0.3 -1,-0.2 0.866 103.0 62.6 -68.6 -29.2 -12.0 -1.9 -17.8 79 82 A A H 3< S+ 0 0 59 -4,-1.7 -1,-0.3 -5,-0.3 -2,-0.2 0.753 103.2 53.5 -60.5 -25.9 -15.6 -0.6 -17.5 80 83 A S T << S+ 0 0 39 -3,-1.4 -1,-0.3 -4,-0.7 -2,-0.2 0.417 95.9 91.6 -89.0 -0.4 -15.3 -1.3 -13.7 81 84 A M < - 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