==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 25-DEC-01 1IST . COMPND 2 MOLECULE: CYCLOPHILIN A; . SOURCE 2 ORGANISM_SCIENTIFIC: SACCHAROMYCES CEREVISIAE; . AUTHOR M.KONNO,A.KASHIMA,S.YOSHIKAWA-FUJIOKA . 322 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13670.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 211 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 . 98 30.4 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 . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 28 8.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 41 12.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 1 0 0 2 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 2 5 5 0 0 2 2 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 2 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 42 0, 0.0 20,-3.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 139.7 24.9 18.5 19.7 2 3 A Q E +A 20 0A 87 18,-0.2 159,-2.8 16,-0.0 2,-0.3 -0.966 360.0 175.8-113.0 128.0 28.1 16.6 19.7 3 4 A V E -AB 19 160A 0 16,-2.1 16,-2.9 -2,-0.5 2,-0.3 -0.834 11.6-146.5-121.5 163.9 30.9 17.8 22.0 4 5 A Y E -AB 18 159A 29 155,-2.6 155,-2.1 -2,-0.3 2,-0.4 -0.986 10.8-151.5-140.0 156.9 34.3 16.3 22.8 5 6 A F E -AB 17 158A 1 12,-2.5 12,-2.7 -2,-0.3 2,-0.6 -0.971 7.4-155.4-117.0 127.9 37.0 15.9 25.3 6 7 A D E -AB 16 157A 37 151,-3.1 150,-1.9 -2,-0.4 151,-1.1 -0.953 28.4-161.4 -95.0 113.4 40.8 15.4 24.7 7 8 A V E -AB 15 155A 3 8,-2.4 7,-2.4 -2,-0.6 8,-1.2 -0.769 12.8-175.5-102.8 145.6 41.9 13.6 27.8 8 9 A E E -AB 13 154A 63 146,-2.2 146,-2.6 -2,-0.3 2,-0.5 -0.993 17.1-147.9-139.9 143.1 45.5 13.3 29.2 9 10 A A E > S-AB 12 153A 19 3,-2.3 3,-2.5 -2,-0.3 144,-0.2 -0.962 84.5 -20.9-115.1 123.1 47.0 11.3 32.1 10 11 A D T 3 S- 0 0 108 142,-2.4 -1,-0.2 -2,-0.5 143,-0.1 0.904 129.4 -46.8 37.1 58.6 50.0 13.1 33.7 11 12 A G T 3 S+ 0 0 60 141,-0.4 -1,-0.3 1,-0.2 142,-0.1 0.220 116.3 115.5 78.1 -16.3 50.7 15.3 30.7 12 13 A Q E < -A 9 0A 146 -3,-2.5 -3,-2.3 1,-0.1 2,-0.3 -0.681 68.8-116.6 -90.3 128.7 50.5 12.2 28.3 13 14 A P E +A 8 0A 102 0, 0.0 -5,-0.2 0, 0.0 3,-0.1 -0.482 32.9 171.3 -66.3 126.3 47.7 12.0 25.6 14 15 A I E - 0 0 40 -7,-2.4 2,-0.3 1,-0.3 -6,-0.2 0.778 49.7 -86.8 -94.3 -45.8 45.1 9.2 25.9 15 16 A G E -A 7 0A 25 -8,-1.2 -8,-2.4 120,-0.1 2,-0.5 -0.895 40.2 -67.2 151.8 170.6 42.5 10.0 23.3 16 17 A R E -A 6 0A 121 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.850 32.0-157.9 -99.7 125.7 39.3 11.9 22.3 17 18 A V E -A 5 0A 6 -12,-2.7 -12,-2.5 -2,-0.5 2,-0.4 -0.903 10.5-157.7-101.4 130.2 35.9 11.1 23.8 18 19 A V E -AC 4 131A 10 113,-2.5 112,-3.0 -2,-0.5 113,-1.7 -0.941 9.2-171.0-114.9 133.2 32.9 12.2 21.7 19 20 A F E -AC 3 129A 0 -16,-2.9 -16,-2.1 -2,-0.4 2,-0.4 -0.936 17.5-144.9-122.6 139.8 29.4 12.7 23.2 20 21 A K E -AC 2 128A 58 108,-2.1 108,-1.7 -2,-0.4 2,-0.4 -0.878 21.6-144.9-100.9 134.3 26.0 13.4 21.8 21 22 A L E - C 0 127A 5 -20,-3.0 2,-2.0 -2,-0.4 106,-0.3 -0.850 15.6-126.8 -98.7 137.3 23.8 15.7 24.0 22 23 A Y >> + 0 0 28 104,-3.0 4,-2.4 -2,-0.4 3,-1.7 -0.468 44.1 161.5 -79.3 64.3 20.0 15.2 24.3 23 24 A N T 34 S+ 0 0 86 -2,-2.0 -1,-0.2 1,-0.3 8,-0.1 0.740 70.1 52.3 -68.2 -14.1 19.3 18.8 23.3 24 25 A D T 34 S+ 0 0 139 -3,-0.2 -1,-0.3 2,-0.1 -2,-0.1 0.288 117.7 35.8-102.2 10.8 15.6 18.0 22.4 25 26 A I T <4 S+ 0 0 57 -3,-1.7 -2,-0.2 101,-0.1 61,-0.1 0.509 135.5 18.0-125.2 -41.6 14.8 16.3 25.8 26 27 A V S X S+ 0 0 0 -4,-2.4 4,-2.9 100,-0.1 5,-0.3 -0.553 71.8 166.0-134.7 70.8 16.8 18.4 28.2 27 28 A P H > S+ 0 0 73 0, 0.0 4,-2.1 0, 0.0 5,-0.2 0.921 76.7 46.2 -63.0 -41.0 17.6 21.7 26.3 28 29 A K H > S+ 0 0 68 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.920 115.9 44.6 -72.4 -35.3 18.8 23.7 29.3 29 30 A T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.946 115.2 48.5 -72.9 -44.5 21.1 20.9 30.8 30 31 A A H X S+ 0 0 2 -4,-2.9 4,-2.5 -8,-0.3 -2,-0.2 0.913 110.4 52.7 -62.3 -36.3 22.5 20.1 27.3 31 32 A E H X S+ 0 0 68 -4,-2.1 4,-2.7 -5,-0.3 5,-0.3 0.946 105.6 52.9 -68.5 -42.6 23.2 23.8 26.7 32 33 A N H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 5,-0.2 0.965 114.0 43.5 -50.2 -54.1 25.1 24.2 30.0 33 34 A F H X S+ 0 0 0 -4,-2.0 4,-1.9 2,-0.2 -2,-0.2 0.917 113.5 50.6 -60.8 -41.2 27.3 21.4 29.1 34 35 A R H X S+ 0 0 29 -4,-2.5 4,-2.4 1,-0.2 3,-0.4 0.980 112.3 45.8 -63.7 -51.7 27.8 22.5 25.5 35 36 A A H X>S+ 0 0 0 -4,-2.7 4,-1.8 1,-0.3 5,-0.5 0.880 111.7 52.7 -59.4 -37.2 28.7 26.1 26.4 36 37 A L H <5S+ 0 0 1 -4,-2.3 9,-2.2 -5,-0.3 10,-0.5 0.835 108.0 52.5 -70.7 -29.4 31.1 24.7 29.1 37 38 A C H <5S+ 0 0 1 -4,-1.9 121,-0.3 -3,-0.4 -2,-0.2 0.928 114.1 41.3 -68.0 -43.6 32.8 22.5 26.5 38 39 A T H <5S- 0 0 47 -4,-2.4 -2,-0.2 -5,-0.2 -1,-0.2 0.761 93.7-143.5 -79.0 -23.5 33.4 25.4 24.1 39 40 A G T ><5 + 0 0 28 -4,-1.8 3,-2.2 -5,-0.2 -3,-0.1 0.615 51.2 143.3 69.3 14.1 34.5 27.8 26.8 40 41 A E T 3 < + 0 0 107 -5,-0.5 -4,-0.1 1,-0.3 -1,-0.1 0.729 65.3 62.3 -59.8 -22.0 32.6 30.7 24.8 41 42 A K T 3 S- 0 0 99 2,-0.5 -1,-0.3 -6,-0.5 3,-0.1 0.335 125.0-102.6 -79.9 2.0 31.5 32.2 28.2 42 43 A G S < S+ 0 0 73 -3,-2.2 2,-0.3 1,-0.2 -2,-0.2 0.410 101.8 64.7 87.7 -3.3 35.2 32.8 29.1 43 44 A F + 0 0 54 -8,-0.1 -2,-0.5 -4,-0.0 2,-0.3 -0.965 58.1 109.9-146.1 159.0 35.1 29.7 31.4 44 45 A G - 0 0 13 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.987 69.6 -43.1 163.8-165.7 34.5 26.0 31.1 45 46 A Y S > S+ 0 0 0 -9,-2.2 3,-2.6 -2,-0.3 110,-0.3 0.594 81.0 114.7 -76.8 -17.3 36.0 22.4 31.2 46 47 A A T 3 S+ 0 0 62 -10,-0.5 110,-0.2 1,-0.3 -2,-0.2 -0.357 89.2 14.6 -57.0 126.5 39.4 22.8 29.5 47 48 A G T 3 S+ 0 0 50 108,-3.1 -1,-0.3 1,-0.3 109,-0.2 0.285 98.1 130.4 92.7 -6.4 42.1 22.2 32.1 48 49 A S E < -D 155 0A 4 -3,-2.6 107,-2.8 107,-0.5 -1,-0.3 -0.489 51.1-125.0 -88.5 147.4 39.7 20.6 34.5 49 50 A P E -D 154 0A 4 0, 0.0 2,-1.1 0, 0.0 14,-0.5 -0.492 13.2-124.0 -84.6 160.2 40.4 17.2 36.3 50 51 A F - 0 0 3 103,-2.6 103,-0.3 11,-0.2 11,-0.3 -0.823 39.6-179.4 -91.6 94.2 38.5 14.0 36.6 51 52 A H + 0 0 32 -2,-1.1 2,-0.3 9,-0.5 98,-0.2 0.614 60.7 36.5 -81.1 -12.7 38.6 14.2 40.4 52 53 A R E +E 60 0A 103 8,-1.7 8,-3.4 96,-0.1 2,-0.4 -0.788 58.9 171.0-153.5 110.7 36.8 11.0 41.2 53 54 A V E -E 59 0A 0 94,-1.4 91,-2.1 -2,-0.3 94,-0.4 -0.984 6.6-175.5-117.0 110.2 37.0 7.6 39.2 54 55 A I E >> -E 58 0A 31 4,-2.9 4,-1.5 -2,-0.4 3,-1.3 -0.974 28.1-126.4-115.0 109.1 35.4 4.5 40.7 55 56 A P T 34 S+ 0 0 44 0, 0.0 86,-0.1 0, 0.0 3,-0.1 -0.284 94.1 15.4 -60.7 141.2 36.1 1.4 38.6 56 57 A D T 34 S+ 0 0 129 1,-0.2 56,-0.0 57,-0.1 84,-0.0 0.727 130.4 53.7 58.6 28.2 32.9 -0.5 37.6 57 58 A F T <4 S- 0 0 54 -3,-1.3 56,-2.2 1,-0.1 57,-0.6 0.209 103.7 -54.1-142.7 -76.0 30.8 2.5 38.6 58 59 A M E < -EF 54 112A 4 -4,-1.5 -4,-2.9 54,-0.2 2,-0.5 -0.988 28.6-114.2-169.2 169.8 31.7 6.0 37.0 59 60 A L E -EF 53 111A 2 52,-1.7 52,-2.1 -2,-0.3 2,-0.4 -0.987 32.0-160.6-114.8 115.6 34.1 8.9 36.2 60 61 A Q E +EF 52 110A 21 -8,-3.4 -8,-1.7 -2,-0.5 -9,-0.5 -0.885 27.5 132.0-107.7 132.6 33.3 12.2 37.9 61 62 A G E + F 0 109A 1 48,-2.4 48,-1.4 -2,-0.4 -11,-0.2 -0.587 17.2 105.5-149.1-158.6 34.6 15.6 36.6 62 63 A G + 0 0 0 -13,-0.4 2,-1.6 46,-0.3 -12,-0.1 0.380 42.0 130.7 88.2 2.8 33.5 19.1 35.7 63 64 A D > + 0 0 1 -14,-0.5 4,-0.8 1,-0.2 9,-0.2 -0.634 20.2 162.2 -88.2 89.7 34.9 21.0 38.7 64 65 A F T 4 + 0 0 41 -2,-1.6 -1,-0.2 -16,-0.1 -20,-0.1 0.314 66.6 53.1 -89.2 5.0 36.7 23.8 36.8 65 66 A T T 4 S+ 0 0 90 -3,-0.1 -1,-0.1 0, 0.0 -2,-0.1 0.809 129.9 2.7 -97.0 -49.4 37.0 26.3 39.9 66 67 A A T 4 S- 0 0 48 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.467 80.3-139.7-117.8 -14.2 38.7 24.1 42.6 67 68 A G S < S+ 0 0 24 -4,-0.8 -4,-0.1 1,-0.1 -3,-0.1 0.451 81.2 80.3 70.3 6.1 39.4 20.7 41.0 68 69 A N S S- 0 0 99 -7,-0.0 -1,-0.1 -16,-0.0 -18,-0.0 0.398 110.6 -86.9-126.3 2.2 38.4 18.5 44.0 69 70 A G S S+ 0 0 24 -6,-0.1 39,-0.1 -17,-0.0 -2,-0.1 0.337 106.3 92.8 109.1 -8.4 34.6 18.3 43.9 70 71 A T S S+ 0 0 117 -7,-0.1 2,-0.1 -4,-0.0 -7,-0.0 0.532 84.6 38.2 -94.9 -10.9 33.6 21.3 45.9 71 72 A G + 0 0 14 2,-0.0 36,-0.3 -8,-0.0 37,-0.2 -0.406 49.4 106.3-118.6-149.4 33.2 23.8 43.0 72 73 A G - 0 0 12 -9,-0.2 2,-0.3 -2,-0.1 -9,-0.1 -0.015 39.4-143.7 84.0 155.7 32.2 24.6 39.5 73 74 A K - 0 0 87 33,-0.2 5,-0.2 -2,-0.1 33,-0.2 -0.983 13.3-115.6-148.6 153.2 29.1 26.7 38.4 74 75 A S > - 0 0 1 4,-0.8 3,-0.9 -2,-0.3 33,-0.1 -0.305 33.1-104.6 -82.3 177.2 26.7 26.6 35.5 75 76 A I T 3 S+ 0 0 27 31,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.476 113.5 67.9 -80.8 -2.8 26.2 29.1 32.7 76 77 A Y T 3 S- 0 0 101 2,-0.4 2,-0.7 1,-0.1 -1,-0.2 0.202 120.8 -94.8 -97.5 10.9 23.0 30.4 34.3 77 78 A G S < S- 0 0 48 -3,-0.9 -3,-0.2 1,-0.1 -1,-0.1 -0.874 88.4 -7.6 109.9-106.1 24.8 31.9 37.3 78 79 A G S S- 0 0 44 -2,-0.7 -4,-0.8 1,-0.3 -2,-0.4 0.256 111.3 -22.4-101.2-133.2 24.8 29.4 40.2 79 80 A K - 0 0 113 -6,-0.1 -1,-0.3 -4,-0.1 27,-0.2 -0.442 61.5-151.6 -76.1 151.4 23.0 26.1 40.5 80 81 A F B -I 105 0B 7 25,-2.3 25,-2.1 -2,-0.1 3,-0.1 -0.870 21.1 -89.5-124.5 161.2 19.8 25.3 38.4 81 82 A P - 0 0 69 0, 0.0 2,-0.5 0, 0.0 3,-0.1 -0.125 47.2 -93.6 -60.2 153.7 16.7 23.1 38.8 82 83 A D - 0 0 26 1,-0.2 3,-0.1 -53,-0.0 41,-0.0 -0.612 36.5-156.0 -71.2 122.9 16.4 19.4 37.7 83 84 A E - 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