==== 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/ISOMERASE INHIBITOR 24-MAR-04 1VDN . COMPND 2 MOLECULE: CYCLOPHILIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR M.KONNO,T.SHIBANO,K.OKUDAIRA,N.TAKAHASHI . 165 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7166.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 65.5 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 . 49 29.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 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 . 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 . 15 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 0 1 0 0 0 1 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 3 2 0 0 1 1 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 0 1 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 2 A S 0 0 67 0, 0.0 20,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 108.0 -3.5 22.4 -16.6 2 3 A Q E +A 20 0A 81 18,-0.2 159,-2.8 16,-0.0 2,-0.3 -0.943 360.0 179.1-121.6 141.2 -3.8 26.2 -16.2 3 4 A V E -AB 19 160A 0 16,-1.8 16,-3.0 -2,-0.4 2,-0.3 -0.869 12.0-149.9-131.8 164.9 -6.0 28.6 -18.3 4 5 A Y E -AB 18 159A 19 155,-2.5 155,-1.6 -2,-0.3 2,-0.4 -0.945 12.3-151.2-141.7 162.7 -6.4 32.3 -18.0 5 6 A F E -AB 17 158A 1 12,-2.3 12,-2.7 -2,-0.3 2,-0.7 -0.995 11.4-150.6-128.8 132.1 -8.8 35.3 -18.5 6 7 A D E -AB 16 157A 35 151,-3.3 150,-2.3 -2,-0.4 151,-1.2 -0.945 29.4-151.7-100.6 115.8 -7.7 38.8 -19.4 7 8 A V E -AB 15 155A 3 8,-2.8 7,-3.2 -2,-0.7 8,-1.0 -0.755 16.3-174.4 -98.3 137.2 -10.5 40.8 -17.8 8 9 A E E -AB 13 154A 60 146,-2.3 146,-2.5 -2,-0.4 2,-0.5 -0.964 13.5-158.6-128.1 145.6 -11.6 44.2 -18.9 9 10 A A E > S-AB 12 153A 10 3,-2.2 3,-1.8 -2,-0.4 144,-0.2 -0.982 86.7 -16.7-123.0 114.5 -14.2 46.7 -17.5 10 11 A D T 3 S- 0 0 110 142,-2.7 -1,-0.1 -2,-0.5 143,-0.1 0.899 130.4 -52.9 55.9 42.0 -15.5 49.1 -20.0 11 12 A G T 3 S+ 0 0 53 141,-0.5 -1,-0.3 1,-0.2 142,-0.1 0.406 112.0 124.3 77.2 -2.9 -12.6 48.3 -22.3 12 13 A Q E < -A 9 0A 126 -3,-1.8 -3,-2.2 1,-0.0 -1,-0.2 -0.800 67.0-118.6 -94.6 123.7 -10.1 49.0 -19.5 13 14 A P E +A 8 0A 86 0, 0.0 -5,-0.2 0, 0.0 3,-0.1 -0.399 32.9 175.7 -61.0 128.9 -7.6 46.1 -18.7 14 15 A I E - 0 0 60 -7,-3.2 2,-0.2 1,-0.4 -6,-0.2 0.606 51.1 -83.0-107.9 -20.4 -8.1 45.1 -15.1 15 16 A G E -A 7 0A 28 -8,-1.0 -8,-2.8 2,-0.0 2,-0.5 -0.732 43.1 -71.6 139.0 172.2 -5.7 42.2 -15.0 16 17 A R E -A 6 0A 100 -10,-0.2 2,-0.5 -2,-0.2 -10,-0.2 -0.885 32.4-158.3-107.9 130.2 -5.2 38.5 -15.7 17 18 A V E -A 5 0A 5 -12,-2.7 -12,-2.3 -2,-0.5 2,-0.4 -0.903 8.9-159.7-106.3 131.2 -6.9 35.7 -13.7 18 19 A V E -AC 4 131A 12 113,-2.9 112,-2.8 -2,-0.5 113,-1.4 -0.935 4.9-163.6-115.0 134.2 -5.3 32.2 -13.8 19 20 A F E -AC 3 129A 0 -16,-3.0 -16,-1.8 -2,-0.4 2,-0.5 -0.907 13.6-146.1-117.7 145.7 -7.1 29.0 -13.0 20 21 A K E -AC 2 128A 93 108,-2.8 108,-2.2 -2,-0.4 2,-0.3 -0.937 24.0-144.7-105.4 127.2 -5.8 25.5 -12.1 21 22 A L E - C 0 127A 2 -20,-2.6 2,-1.5 -2,-0.5 106,-0.3 -0.727 12.9-129.4 -96.5 145.1 -8.2 22.9 -13.4 22 23 A Y >> + 0 0 8 104,-2.8 4,-2.7 -2,-0.3 3,-1.2 -0.445 42.8 160.2 -89.1 62.4 -8.9 19.6 -11.6 23 24 A N T 34 + 0 0 62 -2,-1.5 -1,-0.2 1,-0.3 8,-0.1 0.813 68.2 57.7 -53.0 -37.8 -8.3 17.4 -14.7 24 25 A D T 34 S+ 0 0 133 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.768 116.7 31.9 -67.9 -27.9 -7.6 14.3 -12.6 25 26 A I T <4 S+ 0 0 50 -3,-1.2 -2,-0.2 1,-0.2 -1,-0.2 0.830 136.9 18.9 -98.0 -42.2 -11.0 14.5 -10.8 26 27 A V X + 0 0 0 -4,-2.7 4,-2.6 100,-0.1 5,-0.2 -0.588 68.9 161.4-130.7 70.9 -13.3 16.0 -13.5 27 28 A P H > S+ 0 0 70 0, 0.0 4,-2.3 0, 0.0 5,-0.2 0.862 75.5 49.8 -58.1 -41.2 -11.5 15.5 -16.8 28 29 A K H > S+ 0 0 85 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.891 114.7 42.8 -68.4 -40.4 -14.5 16.0 -19.0 29 30 A T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.899 115.0 50.4 -72.4 -41.2 -15.6 19.2 -17.3 30 31 A A H X S+ 0 0 2 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.905 108.7 52.1 -62.8 -42.5 -12.1 20.5 -17.2 31 32 A E H X S+ 0 0 64 -4,-2.3 4,-2.8 -5,-0.2 5,-0.3 0.890 106.9 53.6 -62.0 -40.5 -11.5 19.8 -20.9 32 33 A N H X S+ 0 0 0 -4,-1.5 4,-2.1 1,-0.2 -1,-0.2 0.958 112.7 42.9 -59.3 -50.4 -14.7 21.7 -21.8 33 34 A F H X S+ 0 0 0 -4,-2.0 4,-1.7 2,-0.2 -2,-0.2 0.911 113.9 51.6 -63.4 -42.9 -13.5 24.8 -19.9 34 35 A R H X S+ 0 0 32 -4,-2.7 4,-2.0 1,-0.2 3,-0.3 0.950 111.2 46.6 -59.2 -51.1 -10.0 24.5 -21.3 35 36 A A H X>S+ 0 0 0 -4,-2.8 4,-2.3 1,-0.2 5,-0.6 0.873 110.7 52.6 -60.8 -38.0 -11.2 24.2 -24.9 36 37 A L H <5S+ 0 0 0 -4,-2.1 9,-2.0 -5,-0.3 10,-0.5 0.826 107.7 53.4 -69.0 -27.3 -13.6 27.2 -24.4 37 38 A C H <5S+ 0 0 1 -4,-1.7 -2,-0.2 -3,-0.3 121,-0.2 0.909 114.3 39.3 -72.2 -42.2 -10.7 29.2 -23.1 38 39 A T H <5S- 0 0 42 -4,-2.0 -2,-0.2 121,-0.2 -1,-0.2 0.797 95.8-142.4 -77.5 -28.2 -8.5 28.6 -26.2 39 40 A G T ><5 + 0 0 28 -4,-2.3 3,-2.0 -5,-0.2 -3,-0.2 0.634 51.7 144.0 75.0 14.3 -11.4 28.9 -28.6 40 41 A E T 3 < + 0 0 100 -5,-0.6 -4,-0.1 1,-0.3 4,-0.1 0.689 63.3 59.9 -60.0 -21.0 -9.8 26.0 -30.6 41 42 A K T 3 S- 0 0 105 2,-0.5 -1,-0.3 -6,-0.5 3,-0.1 0.550 125.6 -96.8 -85.0 -8.5 -13.3 24.6 -31.4 42 43 A G S < S+ 0 0 69 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.404 101.8 57.2 107.9 -0.5 -14.3 27.8 -33.2 43 44 A F + 0 0 55 -8,-0.1 -2,-0.5 -4,-0.0 2,-0.3 -0.979 60.5 119.5-154.7 156.7 -16.2 29.3 -30.2 44 45 A G - 0 0 14 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.994 64.7 -47.3 172.9-165.3 -15.4 30.2 -26.6 45 46 A Y S > S+ 0 0 0 -9,-2.0 3,-2.8 -2,-0.3 110,-0.3 0.675 81.1 113.2 -72.0 -23.1 -15.1 32.7 -23.8 46 47 A A T 3 S+ 0 0 64 -10,-0.5 110,-0.2 1,-0.3 -2,-0.2 -0.338 91.5 12.4 -56.9 122.9 -13.1 35.5 -25.5 47 48 A G T 3 S+ 0 0 54 108,-3.7 -1,-0.3 1,-0.3 109,-0.1 0.310 97.2 129.4 93.4 -8.4 -15.5 38.4 -25.6 48 49 A S < - 0 0 3 -3,-2.8 107,-2.9 107,-0.4 -1,-0.3 -0.559 51.0-128.7 -82.8 144.9 -18.1 36.9 -23.3 49 50 A P B -D 154 0A 17 0, 0.0 2,-1.1 0, 0.0 13,-0.7 -0.385 14.2-120.8 -90.3 166.2 -19.3 39.0 -20.3 50 51 A F + 0 0 6 103,-2.4 103,-0.3 11,-0.2 11,-0.2 -0.874 40.6 176.5-100.6 90.7 -19.6 38.4 -16.6 51 52 A H + 0 0 42 -2,-1.1 2,-0.4 1,-0.2 10,-0.2 0.534 63.5 43.4 -78.7 -7.5 -23.4 39.0 -16.7 52 53 A R E +E 60 0A 42 8,-1.6 8,-3.1 96,-0.1 2,-0.5 -0.861 61.4 166.6-144.6 104.6 -24.0 38.2 -13.1 53 54 A V E -E 59 0A 0 94,-2.4 91,-2.0 -2,-0.4 94,-0.4 -0.945 8.2-179.8-123.3 110.9 -21.7 39.6 -10.4 54 55 A I E >> -E 58 0A 25 4,-2.5 4,-1.3 -2,-0.5 3,-1.3 -0.920 24.7-130.7-117.0 111.4 -23.0 39.4 -6.8 55 56 A P T 34 S+ 0 0 41 0, 0.0 86,-0.1 0, 0.0 3,-0.0 -0.238 94.2 20.8 -56.7 142.9 -20.9 40.7 -3.9 56 57 A D T 34 S+ 0 0 134 1,-0.1 58,-0.0 57,-0.1 56,-0.0 0.713 130.4 48.7 68.9 21.4 -20.5 38.3 -1.0 57 58 A F T <4 S- 0 0 22 -3,-1.3 56,-2.4 54,-0.1 57,-0.8 0.247 102.1 -58.6-147.0 -80.3 -21.4 35.4 -3.4 58 59 A M E < -EF 54 112A 0 -4,-1.3 -4,-2.5 54,-0.3 2,-0.5 -0.994 29.4-108.9-170.5 171.5 -19.9 34.8 -6.8 59 60 A L E -EF 53 111A 2 52,-2.0 52,-2.4 -2,-0.3 2,-0.4 -0.964 33.6-164.9-112.8 129.5 -19.0 36.0 -10.3 60 61 A Q E +EF 52 110A 2 -8,-3.1 -8,-1.6 -2,-0.5 50,-0.2 -0.957 24.6 127.2-121.2 137.8 -20.9 34.3 -13.1 61 62 A G E + F 0 109A 0 48,-2.3 48,-1.8 -2,-0.4 -11,-0.2 -0.766 16.8 110.3-156.1-158.4 -20.1 34.3 -16.8 62 63 A G + 0 0 0 -13,-0.7 2,-1.5 46,-0.3 -12,-0.1 0.448 41.2 129.9 95.1 -1.5 -19.5 32.0 -19.8 63 64 A D > + 0 0 1 -14,-0.5 4,-1.0 1,-0.2 -1,-0.2 -0.678 22.5 164.7 -88.2 85.7 -22.6 32.7 -21.9 64 65 A F T 4 + 0 0 43 -2,-1.5 -1,-0.2 1,-0.2 -20,-0.1 0.438 69.6 49.9 -83.1 1.4 -20.8 33.4 -25.2 65 66 A T T 4 S+ 0 0 85 -3,-0.1 -1,-0.2 -17,-0.0 -2,-0.1 0.739 133.5 3.3-107.7 -30.4 -24.0 33.1 -27.3 66 67 A A T 4 S- 0 0 45 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.501 78.6-143.7-129.5 -17.2 -26.5 35.4 -25.5 67 68 A G S < S+ 0 0 19 -4,-1.0 -3,-0.1 1,-0.1 -5,-0.0 0.752 81.9 81.8 56.5 27.0 -24.4 36.9 -22.7 68 69 A N S S- 0 0 92 -7,-0.0 -1,-0.1 -16,-0.0 -4,-0.1 0.253 111.3 -91.1-143.7 13.1 -27.4 36.8 -20.3 69 70 A G S S+ 0 0 25 -6,-0.1 39,-0.1 -17,-0.0 -2,-0.0 0.246 109.4 89.5 94.9 -13.5 -27.6 33.3 -18.9 70 71 A T S S+ 0 0 118 -7,-0.1 2,-0.1 93,-0.1 -1,-0.0 0.537 87.7 45.3 -92.6 -7.9 -29.9 31.9 -21.5 71 72 A G + 0 0 16 2,-0.0 36,-0.3 -8,-0.0 37,-0.2 -0.355 57.5 98.2-120.0-160.1 -27.1 30.8 -23.9 72 73 A G - 0 0 11 -9,-0.2 2,-0.3 -2,-0.1 -9,-0.1 0.014 40.2-151.4 94.4 153.6 -23.8 29.1 -24.0 73 74 A K - 0 0 72 33,-0.1 33,-0.2 -2,-0.0 6,-0.1 -0.981 14.7-113.1-157.6 156.2 -23.0 25.5 -25.0 74 75 A S > - 0 0 1 4,-1.8 3,-0.7 -2,-0.3 33,-0.1 -0.275 31.6-110.7 -85.3 177.4 -20.4 22.8 -24.2 75 76 A I T 3 S+ 0 0 31 31,-0.2 -1,-0.1 1,-0.2 4,-0.1 0.428 110.8 71.6 -86.8 -0.7 -17.9 21.4 -26.7 76 77 A Y T 3 S- 0 0 96 2,-0.3 2,-0.5 30,-0.1 -1,-0.2 0.394 119.1 -94.3 -96.0 3.0 -19.8 18.1 -26.6 77 78 A G S < S- 0 0 51 -3,-0.7 3,-0.1 1,-0.3 -3,-0.1 -0.882 90.5 -4.7 124.3 -96.6 -22.7 19.4 -28.5 78 79 A G S S- 0 0 46 -2,-0.5 -4,-1.8 1,-0.3 -1,-0.3 0.480 113.6 -31.5 -98.4-118.7 -25.5 20.6 -26.2 79 80 A K - 0 0 125 -6,-0.1 -1,-0.3 -3,-0.1 27,-0.2 -0.739 59.6-144.0-103.8 154.2 -25.4 20.2 -22.5 80 81 A F B -I 105 0B 3 25,-2.4 25,-1.9 -2,-0.3 3,-0.1 -0.870 22.4 -94.0-121.2 154.9 -23.6 17.4 -20.6 81 82 A P - 0 0 73 0, 0.0 2,-0.5 0, 0.0 -1,-0.1 -0.119 50.5 -88.2 -59.6 156.5 -24.3 15.5 -17.4 82 83 A D - 0 0 25 1,-0.2 3,-0.1 40,-0.0 41,-0.0 -0.569 38.3-151.6 -67.5 118.3 -22.9 16.4 -14.1 83 84 A E - 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