==== 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 05-OCT-04 1XO7 . COMPND 2 MOLECULE: CYCLOPHILIN; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; . AUTHOR J.M.CARUTHERS,W.G.J.HOL,STRUCTURAL GENOMICS OF PATHOGENIC PR . 664 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 29981.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 421 63.4 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 . 214 32.2 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 . 8 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 8 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 43 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 60 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 80 12.0 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 0 4 0 0 0 4 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 . 16 0 9 11 0 0 4 0 4 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 4 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 1 A M 0 0 212 0, 0.0 2,-0.1 0, 0.0 91,-0.0 0.000 360.0 360.0 360.0 145.1 55.5 45.5 21.5 2 2 A P - 0 0 30 0, 0.0 2,-0.2 0, 0.0 26,-0.1 -0.451 360.0-111.4 -67.1 143.3 52.1 43.9 21.5 3 3 A V - 0 0 85 -2,-0.1 2,-0.6 24,-0.1 26,-0.5 -0.497 21.8-128.5 -76.2 139.0 50.6 43.2 24.9 4 4 A V + 0 0 51 -2,-0.2 23,-0.2 23,-0.2 3,-0.1 -0.811 33.8 166.3 -88.5 131.2 50.2 39.6 26.1 5 5 A T + 0 0 49 21,-3.1 2,-0.3 -2,-0.6 -1,-0.2 0.557 61.3 13.8-120.2 -11.4 46.7 39.0 27.3 6 6 A D E -A 26 0A 46 20,-0.8 20,-2.7 2,-0.0 2,-0.4 -0.949 64.1-141.8-159.0 161.8 46.4 35.2 27.6 7 7 A K E -A 25 0A 79 -2,-0.3 159,-2.4 18,-0.2 2,-0.4 -0.999 7.0-164.6-139.0 142.2 48.8 32.2 27.5 8 8 A V E -AB 24 165A 0 16,-2.2 16,-3.1 -2,-0.4 2,-0.4 -0.945 11.3-148.4-120.5 139.8 48.5 28.7 26.0 9 9 A Y E -AB 23 164A 40 155,-2.4 155,-1.8 -2,-0.4 2,-0.4 -0.906 7.9-167.3-105.8 151.1 50.7 25.7 26.8 10 10 A F E -AB 22 163A 2 12,-2.6 12,-2.7 -2,-0.4 2,-0.7 -0.992 8.7-157.1-128.8 122.7 51.9 22.8 24.7 11 11 A D E -AB 21 162A 43 151,-3.0 150,-1.7 -2,-0.4 151,-1.3 -0.870 26.7-156.3 -95.2 116.7 53.5 19.7 26.3 12 12 A I E -AB 20 160A 3 8,-3.0 7,-2.7 -2,-0.7 8,-0.8 -0.774 17.1-169.5-106.9 137.3 55.5 18.2 23.4 13 13 A T E -AB 18 159A 8 146,-2.5 146,-2.8 -2,-0.4 2,-0.5 -0.961 10.7-155.1-112.5 148.5 56.8 14.6 22.7 14 14 A I E > S-AB 17 158A 24 3,-2.8 3,-1.7 -2,-0.4 144,-0.2 -0.983 88.3 -14.5-117.8 119.0 59.3 13.4 20.1 15 15 A G T 3 S- 0 0 41 142,-2.3 -1,-0.2 -2,-0.5 143,-0.1 0.869 130.6 -56.5 57.3 41.9 58.8 9.6 19.3 16 16 A D T 3 S+ 0 0 132 141,-0.5 -1,-0.3 1,-0.2 142,-0.1 0.491 113.8 123.2 67.1 6.9 56.6 9.5 22.4 17 17 A E E < -A 14 0A 129 -3,-1.7 -3,-2.8 2,-0.0 -1,-0.2 -0.860 67.4-118.4 -94.1 130.8 59.5 10.8 24.6 18 18 A P E +A 13 0A 107 0, 0.0 -5,-0.2 0, 0.0 3,-0.1 -0.415 35.5 171.4 -67.4 129.6 58.7 14.1 26.6 19 19 A V E - 0 0 11 -7,-2.7 2,-0.2 1,-0.4 -6,-0.2 0.346 49.8 -88.3-119.7 2.3 61.0 17.0 25.6 20 20 A G E -A 12 0A 31 -8,-0.8 -8,-3.0 2,-0.0 2,-0.4 -0.631 42.2 -61.2 125.9 178.9 59.3 19.8 27.4 21 21 A R E -A 11 0A 100 -10,-0.2 2,-0.4 -2,-0.2 -10,-0.2 -0.918 28.0-159.7-111.9 135.0 56.6 22.6 27.5 22 22 A V E -A 10 0A 3 -12,-2.7 -12,-2.6 -2,-0.4 2,-0.5 -0.954 10.7-160.3-106.3 136.7 56.3 25.6 25.2 23 23 A V E -AC 9 135A 1 112,-2.3 111,-2.6 -2,-0.4 112,-1.6 -0.968 5.5-158.9-118.3 122.8 54.2 28.5 26.6 24 24 A I E -AC 8 133A 0 -16,-3.1 -16,-2.2 -2,-0.5 2,-0.4 -0.933 6.6-146.5-108.6 130.7 52.9 31.0 24.0 25 25 A G E -AC 7 132A 0 107,-2.9 107,-2.4 -2,-0.5 2,-0.3 -0.812 21.0-143.6 -93.1 135.7 51.8 34.5 25.0 26 26 A L E -AC 6 131A 0 -20,-2.7 -21,-3.1 -2,-0.4 2,-1.5 -0.794 11.5-136.2-116.4 145.2 48.9 35.8 23.0 27 27 A F >> + 0 0 0 103,-2.8 4,-2.5 -2,-0.3 3,-0.7 -0.541 37.1 160.4-100.6 64.7 48.2 39.3 21.7 28 28 A G T 34 + 0 0 13 -2,-1.5 -1,-0.2 1,-0.2 -24,-0.1 0.659 67.8 57.6 -69.7 -9.3 44.5 39.5 22.4 29 29 A N T 34 S+ 0 0 124 -26,-0.5 -1,-0.2 -3,-0.2 -2,-0.1 0.806 115.8 35.9 -86.4 -25.4 44.2 43.3 22.3 30 30 A D T <4 S+ 0 0 67 -3,-0.7 -2,-0.2 -27,-0.3 -1,-0.1 0.840 136.2 16.0 -93.6 -37.4 45.5 43.4 18.8 31 31 A V X + 0 0 0 -4,-2.5 4,-2.5 99,-0.1 5,-0.2 -0.522 68.5 161.0-135.8 70.9 44.0 40.3 17.3 32 32 A P H > S+ 0 0 65 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.860 75.4 51.2 -63.9 -34.3 41.2 39.1 19.6 33 33 A K H > S+ 0 0 135 2,-0.2 4,-2.1 1,-0.2 5,-0.1 0.900 112.5 46.0 -72.6 -40.6 39.4 36.9 17.0 34 34 A T H > S+ 0 0 1 2,-0.2 4,-2.2 1,-0.2 -1,-0.2 0.895 113.6 49.7 -64.2 -36.0 42.6 35.1 16.1 35 35 A V H X S+ 0 0 3 -4,-2.5 4,-2.5 2,-0.2 -2,-0.2 0.907 108.3 53.2 -71.6 -43.1 43.6 34.6 19.8 36 36 A E H X S+ 0 0 95 -4,-2.3 4,-2.6 -5,-0.2 5,-0.2 0.932 109.3 49.8 -55.6 -46.2 40.1 33.3 20.6 37 37 A N H X S+ 0 0 0 -4,-2.1 4,-1.9 2,-0.2 5,-0.2 0.948 112.7 45.9 -53.6 -49.8 40.5 30.6 17.8 38 38 A F H X S+ 0 0 0 -4,-2.2 4,-2.0 1,-0.2 -2,-0.2 0.942 113.9 48.9 -69.8 -38.4 43.9 29.5 19.0 39 39 A K H X S+ 0 0 58 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.945 113.0 47.3 -61.7 -41.7 42.7 29.4 22.8 40 40 A Q H X>S+ 0 0 31 -4,-2.6 4,-0.8 1,-0.3 5,-0.7 0.759 111.5 50.1 -74.3 -33.4 39.6 27.3 21.9 41 41 A L H <5S+ 0 0 0 -4,-1.9 9,-2.4 -5,-0.2 10,-0.5 0.811 111.1 49.9 -70.6 -33.8 41.7 24.9 19.7 42 42 A A H <5S+ 0 0 2 -4,-2.0 -2,-0.2 -5,-0.2 -3,-0.2 0.881 114.1 44.7 -70.7 -34.6 44.2 24.5 22.6 43 43 A S H <5S- 0 0 51 -4,-2.4 -1,-0.2 -5,-0.2 -2,-0.2 0.687 96.2-142.4 -78.3 -17.6 41.3 23.8 25.0 44 44 A G T ><5 + 0 0 29 -4,-0.8 3,-2.2 -5,-0.2 -3,-0.2 0.681 48.9 148.3 67.7 13.4 39.6 21.4 22.5 45 45 A E T 3 < + 0 0 131 -5,-0.7 -4,-0.1 1,-0.3 4,-0.1 0.869 68.1 55.1 -69.9 3.7 36.0 23.0 23.9 46 46 A N T 3 S- 0 0 74 -6,-0.6 -1,-0.3 2,-0.4 3,-0.1 0.668 125.2 -99.3-106.1 3.8 34.4 22.5 20.4 47 47 A G S < S+ 0 0 75 -3,-2.2 2,-0.3 1,-0.3 -2,-0.1 0.437 101.3 59.3 104.8 -3.6 35.2 18.7 20.2 48 48 A F + 0 0 59 -4,-0.0 -2,-0.4 0, 0.0 -1,-0.3 -0.956 60.9 112.1-149.7 158.4 38.3 19.1 18.0 49 49 A G - 0 0 12 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.999 69.9 -42.7 161.9-160.2 41.7 20.9 18.4 50 50 A Y S > S+ 0 0 0 -9,-2.4 3,-2.8 -2,-0.3 110,-0.3 0.693 83.8 110.0 -78.1 -16.2 45.4 20.7 18.9 51 51 A K T 3 S+ 0 0 144 -10,-0.5 -2,-0.2 1,-0.3 110,-0.2 -0.333 91.1 15.5 -67.8 128.6 45.8 17.9 21.4 52 52 A G T 3 S+ 0 0 22 108,-3.1 -1,-0.3 1,-0.3 109,-0.1 0.292 99.7 124.4 95.1 -14.2 47.2 14.9 19.7 53 53 A S < - 0 0 1 -3,-2.8 107,-3.5 107,-0.2 -1,-0.3 -0.273 49.3-132.7 -80.4 170.0 48.3 16.8 16.6 54 54 A I B -D 159 0A 29 14,-0.3 2,-1.0 105,-0.2 13,-0.6 -0.731 18.8-113.6-118.5 159.5 51.9 17.0 15.2 55 55 A F E -E 66 0A 2 103,-2.3 103,-0.3 -2,-0.3 11,-0.3 -0.878 39.0-178.6 -88.5 97.6 54.4 19.4 13.9 56 56 A H E + 0 0 10 -2,-1.0 2,-0.4 9,-0.7 10,-0.2 0.661 62.4 39.1 -75.6 -16.8 54.3 18.2 10.4 57 57 A R E +E 65 0A 84 8,-1.4 8,-2.8 96,-0.2 2,-0.4 -0.999 62.7 173.5-140.6 121.2 57.0 20.5 8.9 58 58 A V E -E 64 0A 2 94,-2.3 2,-0.5 -2,-0.4 6,-0.2 -0.980 7.1-173.6-132.5 127.5 60.1 21.5 10.6 59 59 A I E >> -E 63 0A 36 4,-3.0 3,-1.8 -2,-0.4 4,-1.3 -0.965 31.4-117.9-125.2 118.4 63.0 23.6 9.0 60 60 A R T 34 S+ 0 0 157 -2,-0.5 85,-0.1 1,-0.3 81,-0.0 -0.167 96.3 5.3 -55.5 135.4 66.2 24.1 11.0 61 61 A N T 34 S+ 0 0 106 1,-0.2 -1,-0.3 80,-0.1 55,-0.0 0.717 128.7 58.6 57.3 29.6 66.8 27.8 11.7 62 62 A F T <4 S- 0 0 54 -3,-1.8 55,-2.3 1,-0.2 56,-0.8 0.363 102.1 -42.7-143.0 -72.3 63.5 28.9 10.2 63 63 A M E < -EF 59 116A 10 -4,-1.3 -4,-3.0 53,-0.3 2,-0.4 -0.991 27.5-130.0-163.7 161.8 60.3 27.5 11.8 64 64 A I E -EF 58 115A 2 51,-1.9 51,-2.4 -2,-0.3 2,-0.4 -0.988 30.6-161.6-117.3 135.7 58.2 24.7 13.1 65 65 A Q E +EF 57 114A 29 -8,-2.8 -8,-1.4 -2,-0.4 -9,-0.7 -0.963 24.1 134.7-124.9 133.6 54.6 24.3 11.6 66 66 A G E +EF 55 113A 1 47,-2.7 47,-2.0 -2,-0.4 -11,-0.2 -0.699 20.7 106.7-148.7-158.5 51.7 22.5 13.1 67 67 A G + 0 0 0 -13,-0.6 2,-1.8 45,-0.3 -12,-0.1 0.390 44.8 130.0 94.1 -4.1 48.0 22.7 13.8 68 68 A D > + 0 0 1 -14,-0.4 4,-1.5 1,-0.2 -14,-0.3 -0.536 20.2 160.0 -83.7 78.6 46.7 20.3 11.0 69 69 A F T 4 + 0 0 25 -2,-1.8 -1,-0.2 1,-0.2 -20,-0.1 0.432 68.1 49.3 -82.7 1.2 44.5 18.2 13.2 70 70 A T T 4 S+ 0 0 62 -3,-0.1 -1,-0.2 -17,-0.0 -2,-0.1 0.814 130.0 10.5-100.3 -47.5 42.4 16.8 10.3 71 71 A N T 4 S- 0 0 85 0, 0.0 -2,-0.2 0, 0.0 -3,-0.1 0.484 79.1-144.5-115.6 -13.2 45.0 15.7 7.8 72 72 A F S < S+ 0 0 87 -4,-1.5 -3,-0.1 1,-0.1 -5,-0.0 0.729 82.4 79.1 59.7 25.9 48.3 15.9 9.7 73 73 A D S S- 0 0 85 -7,-0.0 -1,-0.1 80,-0.0 -4,-0.1 0.349 111.1 -91.3-143.1 1.7 50.2 17.0 6.5 74 74 A G S S+ 0 0 30 -6,-0.1 38,-0.1 -17,-0.0 -2,-0.0 0.426 106.5 91.6 94.9 -4.5 49.6 20.6 5.9 75 75 A T S S+ 0 0 103 -7,-0.1 2,-0.1 -4,-0.0 -7,-0.0 0.514 86.2 40.7 -92.7 -12.0 46.5 20.3 3.7 76 76 A G + 0 0 19 2,-0.0 35,-0.3 34,-0.0 36,-0.3 -0.094 49.4 108.3-118.9-148.4 43.9 20.5 6.5 77 77 A G - 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0 0 55 -2,-0.7 2,-0.3 1,-0.3 -1,-0.2 0.890 66.3 -6.9 -79.7 -42.0 42.5 40.2 11.2 89 89 A N + 0 0 44 -58,-0.1 -1,-0.3 3,-0.1 40,-0.2 -0.915 49.5 179.1-159.0 124.7 45.6 42.4 11.4 90 90 A L + 0 0 62 -2,-0.3 35,-0.5 -3,-0.2 37,-0.1 0.232 63.9 92.6-107.1 8.5 48.7 42.2 9.2 91 91 A K + 0 0 177 33,-0.1 2,-0.3 34,-0.1 -1,-0.1 0.874 60.9 88.8 -80.0 -28.7 50.5 45.2 10.8 92 92 A I S S- 0 0 20 37,-0.2 37,-0.4 1,-0.1 33,-0.3 -0.512 73.7-138.8 -74.4 124.6 52.5 43.2 13.4 93 93 A K - 0 0 147 -2,-0.3 -1,-0.1 1,-0.1 -2,-0.1 -0.421 17.5-105.5 -77.7 157.7 55.9 42.1 12.0 94 94 A H + 0 0 17 26,-0.2 2,-0.3 -2,-0.1 -1,-0.1 -0.266 41.3 170.2 -74.6 164.5 57.5 38.7 12.6 95 95 A F > - 0 0 67 23,-0.1 3,-2.4 24,-0.1 21,-0.3 -0.938 49.9 -60.8-166.0 167.7 60.5 38.4 14.9 96 96 A V T 3 S+ 0 0 83 -2,-0.3 21,-0.2 1,-0.3 37,-0.0 -0.358 127.5 20.2 -68.8 126.9 62.4 35.4 16.4 97 97 A G T 3 S+ 0 0 5 19,-1.5 36,-2.8 1,-0.3 -1,-0.3 0.475 89.8 149.2 93.7 2.0 59.9 33.4 18.5 98 98 A A E < -G 132 0A 0 -3,-2.4 18,-2.3 34,-0.2 2,-0.5 -0.342 39.5-144.6 -66.5 146.5 56.8 34.9 16.8 99 99 A V E +GH 131 115A 0 32,-2.5 31,-3.0 16,-0.2 32,-1.5 -0.990 29.4 174.1-114.8 123.9 53.7 32.7 16.5 100 100 A S E -GH 129 114A 0 14,-2.3 14,-2.6 -2,-0.5 2,-0.4 -0.953 35.0-101.5-138.3 148.2 51.8 33.2 13.2 101 101 A M E - 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