==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/IMMUNOSUPPRESSANT 17-DEC-07 3BO7 . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE CYCLOPHILIN-T . SOURCE 2 ORGANISM_SCIENTIFIC: TOXOPLASMA GONDII; . AUTHOR A.K.WERNIMONT,J.LEW,I.KOZIERADZKI,Y.H.LIN,X.SUN,C.KHUU,Y.ZHA . 713 14 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 31627.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 448 62.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 0.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 195 27.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 4 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 8 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 0.6 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 . 6 0.8 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 . 65 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 76 10.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 71 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 2 2 0 0 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 12 0 9 11 0 4 4 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 4 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 K 0 0 132 0, 0.0 20,-0.4 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 119.3 33.8 61.6 3.2 2 6 A K - 0 0 40 18,-0.2 2,-0.3 17,-0.2 17,-0.2 -0.794 360.0-139.7-117.0 155.8 31.1 63.5 1.3 3 7 A G E -A 18 0A 0 15,-1.7 15,-3.0 -2,-0.3 2,-0.4 -0.826 15.4-154.8-106.2 152.7 27.4 63.6 1.3 4 8 A Y E +AB 17 163A 84 159,-1.7 158,-2.4 -2,-0.3 159,-1.7 -0.998 21.3 155.1-133.0 135.8 25.2 64.0 -1.8 5 9 A L E -AB 16 161A 3 11,-2.1 11,-3.1 -2,-0.4 2,-0.5 -0.994 31.7-136.9-155.3 154.2 21.7 65.4 -2.1 6 10 A R E -AB 15 160A 93 154,-3.1 154,-3.0 -2,-0.3 2,-0.6 -0.980 11.5-153.5-116.9 125.6 19.2 67.0 -4.5 7 11 A I E -AB 14 159A 0 7,-2.5 7,-2.6 -2,-0.5 2,-0.6 -0.889 14.4-158.8 -92.4 117.9 17.0 69.9 -3.4 8 12 A V E +AB 13 158A 22 150,-3.2 149,-3.2 -2,-0.6 150,-1.6 -0.892 17.3 176.6-100.9 115.7 13.8 69.8 -5.5 9 13 A T E > -AB 12 156A 7 3,-2.3 3,-1.2 -2,-0.6 147,-0.2 -0.702 46.9-106.5-114.4 170.9 12.0 73.2 -5.7 10 14 A T T 3 S+ 0 0 63 145,-2.0 146,-0.1 1,-0.3 3,-0.1 0.512 122.1 41.2 -68.1 -5.6 9.0 74.6 -7.4 11 15 A Q T 3 S- 0 0 70 1,-0.5 -1,-0.3 144,-0.2 2,-0.1 -0.143 128.7 -45.6-137.7 39.5 11.5 76.5 -9.7 12 16 A G E < -A 9 0A 26 -3,-1.2 -3,-2.3 2,-0.0 -1,-0.5 -0.433 58.2 -93.7 119.2 167.3 14.3 74.0 -10.4 13 17 A S E -A 8 0A 46 -5,-0.2 2,-0.4 -2,-0.1 -5,-0.2 -0.912 23.4-151.5-122.9 147.2 16.5 71.4 -8.7 14 18 A L E -A 7 0A 0 -7,-2.6 -7,-2.5 -2,-0.3 2,-0.5 -0.976 6.4-147.8-123.1 130.0 20.0 71.7 -7.2 15 19 A N E -AC 6 131A 57 116,-4.1 115,-2.2 -2,-0.4 116,-1.5 -0.836 26.9-167.8 -94.0 128.1 22.6 68.9 -6.9 16 20 A I E -AC 5 129A 2 -11,-3.1 -11,-2.1 -2,-0.5 2,-0.5 -0.948 22.2-156.7-130.3 134.2 24.7 69.3 -3.8 17 21 A E E -AC 4 128A 16 111,-2.7 111,-2.1 -2,-0.4 2,-0.5 -0.930 19.0-148.0-100.7 130.3 27.9 67.9 -2.4 18 22 A L E -AC 3 127A 0 -15,-3.0 2,-1.8 -2,-0.5 -15,-1.7 -0.870 10.8-137.8-100.4 128.9 28.3 68.2 1.4 19 23 A H >> + 0 0 13 107,-2.2 4,-3.1 -2,-0.5 3,-1.4 -0.409 39.7 157.5 -82.4 62.8 31.8 68.6 2.9 20 24 A A T 34 S+ 0 0 2 -2,-1.8 -1,-0.2 1,-0.3 -18,-0.2 0.637 70.8 62.4 -58.1 -18.1 31.3 66.2 5.7 21 25 A D T 34 S+ 0 0 73 -20,-0.4 -1,-0.3 -3,-0.2 -19,-0.1 0.779 118.4 22.1 -77.6 -30.3 35.1 65.8 5.8 22 26 A M T <4 S+ 0 0 29 -3,-1.4 -2,-0.2 -21,-0.1 -1,-0.1 0.604 137.7 29.4-114.6 -22.4 35.7 69.5 6.7 23 27 A A X + 0 0 0 -4,-3.1 4,-1.9 103,-0.1 3,-0.3 -0.388 69.0 157.4-136.1 59.5 32.4 70.6 8.2 24 28 A P H > S+ 0 0 48 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.827 71.4 51.1 -54.6 -43.3 31.0 67.3 9.8 25 29 A R H > S+ 0 0 120 1,-0.2 4,-2.6 2,-0.2 5,-0.2 0.898 112.1 45.8 -67.6 -41.0 28.6 68.9 12.4 26 30 A A H > S+ 0 0 1 -3,-0.3 4,-1.9 2,-0.2 -1,-0.2 0.867 116.1 46.1 -68.6 -37.8 26.9 71.2 9.9 27 31 A C H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 5,-0.2 0.931 113.8 48.9 -69.8 -46.1 26.5 68.3 7.4 28 32 A D H X S+ 0 0 16 -4,-2.9 4,-2.8 1,-0.2 5,-0.2 0.942 111.9 48.2 -57.1 -52.6 25.3 65.9 10.1 29 33 A S H X S+ 0 0 2 -4,-2.6 4,-1.6 1,-0.2 -1,-0.2 0.916 112.7 49.2 -51.6 -48.5 22.7 68.5 11.4 30 34 A F H X S+ 0 0 6 -4,-1.9 4,-2.4 1,-0.2 -1,-0.2 0.902 113.0 45.7 -62.4 -45.0 21.5 69.2 7.9 31 35 A L H X S+ 0 0 5 -4,-2.5 4,-2.0 2,-0.2 -1,-0.2 0.847 108.8 55.5 -70.2 -37.0 21.1 65.5 7.0 32 36 A R H X S+ 0 0 96 -4,-2.8 4,-0.9 -5,-0.2 -1,-0.2 0.852 111.2 45.9 -61.2 -33.0 19.4 64.7 10.3 33 37 A L H <>S+ 0 0 4 -4,-1.6 5,-1.7 -5,-0.2 6,-0.3 0.872 108.9 54.0 -77.2 -41.5 16.9 67.5 9.3 34 38 A C H ><5S+ 0 0 8 -4,-2.4 3,-1.4 1,-0.2 -2,-0.2 0.865 102.6 61.5 -52.8 -39.2 16.5 66.1 5.8 35 39 A A H 3<5S+ 0 0 72 -4,-2.0 -1,-0.2 1,-0.3 -2,-0.2 0.890 107.8 40.2 -57.7 -43.9 15.7 62.8 7.4 36 40 A V T 3<5S- 0 0 102 -4,-0.9 -1,-0.3 -3,-0.3 -2,-0.2 0.151 114.5-113.2 -95.6 16.5 12.5 64.1 9.2 37 41 A K T X 5 + 0 0 124 -3,-1.4 3,-1.7 122,-0.1 -3,-0.2 0.602 64.3 150.8 62.4 17.1 11.5 66.2 6.1 38 42 A Y T 3 < + 0 0 4 -5,-1.7 -4,-0.2 1,-0.3 -1,-0.1 0.778 68.1 50.7 -41.2 -41.7 12.1 69.5 8.0 39 43 A F T > S+ 0 0 2 -6,-0.3 3,-1.8 2,-0.1 117,-0.3 0.607 79.4 116.4 -84.5 -12.8 13.0 71.5 4.8 40 44 A D T < S+ 0 0 37 -3,-1.7 117,-0.2 1,-0.3 3,-0.1 -0.401 87.6 8.6 -58.5 126.7 9.8 70.4 2.9 41 45 A D T 3 S+ 0 0 51 115,-3.2 21,-2.5 1,-0.3 -1,-0.3 0.297 94.9 130.3 80.1 -5.2 7.7 73.5 2.2 42 46 A T < - 0 0 0 -3,-1.8 114,-2.9 19,-0.3 -1,-0.3 -0.415 46.8-142.0 -67.7 156.6 10.4 76.0 3.4 43 47 A I B -H 155 0B 3 14,-0.3 2,-0.8 112,-0.2 13,-0.6 -0.597 20.7-109.4-113.8 172.3 11.1 78.8 0.9 44 48 A F E +D 55 0A 0 110,-1.7 11,-0.2 -2,-0.2 3,-0.1 -0.902 45.9 173.7-100.9 98.2 14.0 80.9 -0.3 45 49 A H E + 0 0 27 -2,-0.8 2,-0.4 9,-0.7 10,-0.1 0.426 55.5 47.0 -96.5 -7.7 13.0 84.1 1.5 46 50 A R E +D 54 0A 10 8,-1.2 8,-3.2 103,-0.2 2,-0.4 -0.964 60.6 171.3-141.1 124.9 15.9 86.4 0.9 47 51 A C E -D 53 0A 2 101,-2.7 2,-0.5 -2,-0.4 6,-0.2 -0.962 6.6-178.6-142.6 113.3 17.5 86.9 -2.6 48 52 A I E >> -D 52 0A 33 4,-2.7 3,-1.7 -2,-0.4 4,-1.0 -0.953 30.3-122.3-121.6 111.9 20.1 89.5 -3.5 49 53 A R T 34 S+ 0 0 183 -2,-0.5 3,-0.1 1,-0.3 92,-0.1 -0.158 97.5 14.2 -44.9 136.6 21.4 89.7 -7.1 50 54 A N T 34 S+ 0 0 88 1,-0.2 -1,-0.3 63,-0.0 62,-0.0 0.650 129.0 54.8 65.9 18.4 25.2 89.4 -7.2 51 55 A F T <4 S- 0 0 2 -3,-1.7 62,-2.9 1,-0.1 63,-1.3 0.347 101.3 -61.6-137.5 -83.5 25.3 88.0 -3.7 52 56 A M E < -DE 48 112A 0 -4,-1.0 -4,-2.7 60,-0.3 2,-0.4 -0.975 26.5-119.0-165.3 168.6 23.3 85.0 -2.5 53 57 A I E -DE 47 111A 0 58,-1.9 58,-2.4 -2,-0.3 2,-0.4 -0.977 31.1-150.4-120.1 141.1 19.9 83.4 -1.9 54 58 A Q E +DE 46 110A 1 -8,-3.2 -8,-1.2 -2,-0.4 -9,-0.7 -0.914 24.9 147.2-120.4 136.4 18.9 82.4 1.6 55 59 A G E +DE 44 109A 0 54,-2.6 54,-1.8 -2,-0.4 -11,-0.2 -0.704 29.6 88.9-143.4-166.8 16.6 79.6 2.9 56 60 A G + 0 0 0 -13,-0.6 2,-0.8 52,-0.3 -12,-0.1 0.538 47.5 147.5 87.0 8.9 16.0 77.0 5.6 57 61 A R > - 0 0 40 -14,-0.4 3,-1.4 1,-0.2 -14,-0.3 -0.699 32.7-164.1 -85.0 110.0 13.9 79.1 8.0 58 62 A A G > S+ 0 0 2 -2,-0.8 3,-1.8 1,-0.3 -1,-0.2 0.874 87.8 63.1 -55.6 -40.4 11.3 76.9 9.8 59 63 A E G 3 S+ 0 0 37 1,-0.3 -1,-0.3 3,-0.0 9,-0.1 0.677 105.0 46.7 -60.0 -21.1 9.3 80.0 10.8 60 64 A L G < S+ 0 0 56 -3,-1.4 -1,-0.3 -17,-0.1 -2,-0.2 0.274 78.4 136.1-107.8 7.8 8.6 80.8 7.1 61 65 A R < - 0 0 43 -3,-1.8 -19,-0.3 -4,-0.2 -20,-0.1 -0.383 48.4-146.9 -58.5 126.7 7.6 77.3 6.1 62 66 A Q 0 0 106 -21,-2.5 -1,-0.1 1,-0.2 -2,-0.0 -0.681 360.0 360.0 -99.6 75.4 4.5 77.4 3.8 63 67 A P 0 0 116 0, 0.0 -1,-0.2 0, 0.0 -21,-0.0 0.873 360.0 360.0 -85.1 360.0 3.0 74.2 5.0 64 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 65 75 A Q 0 0 206 0, 0.0 -28,-0.1 0, 0.0 -27,-0.0 0.000 360.0 360.0 360.0 -41.5 7.0 69.9 11.5 66 76 A S - 0 0 33 1,-0.1 4,-0.1 2,-0.0 0, 0.0 -0.585 360.0-154.2 -75.3 125.2 8.9 72.1 13.9 67 77 A P S S+ 0 0 50 0, 0.0 2,-0.3 0, 0.0 -6,-0.2 0.802 77.1 51.6 -71.8 -31.9 7.6 75.7 13.9 68 78 A R S S- 0 0 87 -10,-0.1 2,-0.2 -9,-0.1 655,-0.1 -0.762 99.4 -92.0-104.5 156.5 10.8 77.3 15.1 69 79 A S + 0 0 3 -2,-0.3 2,-0.3 656,-0.0 -12,-0.1 -0.424 52.5 164.4 -68.3 132.4 14.3 76.9 13.6 70 80 A I - 0 0 49 -2,-0.2 7,-0.2 -4,-0.1 2,-0.1 -0.914 36.5-109.8-138.9 161.4 16.4 74.1 15.2 71 81 A S - 0 0 2 5,-1.1 36,-0.1 -2,-0.3 4,-0.1 -0.431 36.8-107.5 -82.1 172.5 19.5 72.1 14.4 72 82 A G S S+ 0 0 16 34,-0.3 3,-0.1 -2,-0.1 -1,-0.1 0.562 89.3 98.3 -76.9 -10.6 19.3 68.5 13.4 73 83 A F S > S- 0 0 24 4,-0.3 3,-2.0 1,-0.1 2,-0.1 -0.354 92.2 -81.1 -76.7 154.1 20.7 67.3 16.8 74 84 A P T 3 S+ 0 0 118 0, 0.0 3,-0.3 0, 0.0 -1,-0.1 -0.391 121.6 21.5 -54.8 126.7 18.7 66.0 19.8 75 85 A G T 3 S- 0 0 85 1,-0.2 651,-0.1 -2,-0.1 -3,-0.1 0.021 105.7-115.9 100.3 -26.2 17.4 69.0 21.7 76 86 A G < + 0 0 10 -3,-2.0 -5,-1.1 1,-0.2 -1,-0.2 0.612 57.7 160.2 73.3 15.9 17.8 71.3 18.6 77 87 A A - 0 0 62 -3,-0.3 -4,-0.3 -7,-0.2 -1,-0.2 -0.256 47.1 -93.1 -69.0 154.9 20.4 73.5 20.2 78 88 A P - 0 0 49 0, 0.0 2,-0.3 0, 0.0 28,-0.2 -0.321 41.8-140.8 -62.9 152.6 22.7 75.7 18.1 79 89 A F B -I 105 0C 14 26,-1.7 26,-1.5 1,-0.1 -53,-0.0 -0.808 19.9 -92.3-118.5 161.2 26.1 74.2 17.1 80 90 A E - 0 0 136 -2,-0.3 -1,-0.1 1,-0.1 -54,-0.1 -0.181 43.6 -97.4 -70.8 156.8 29.6 75.7 16.8 81 91 A D - 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