==== 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 11-OCT-04 1XQ7 . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: TRYPANOSOMA CRUZI; . AUTHOR J.M.CARUTHERS,W.G.J.HOL,STRUCTURAL GENOMICS OF PATHOGENIC PR . 531 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 22088.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 335 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 0.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 160 30.1 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 . 7 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 3 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 3 0.6 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 . 35 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 60 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 3 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 12 0 7 8 0 0 3 0 3 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 3 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 0 103 0, 0.0 210,-0.0 0, 0.0 91,-0.0 0.000 360.0 360.0 360.0 117.4 48.9 14.1 2.1 2 2 A P - 0 0 28 0, 0.0 2,-0.4 0, 0.0 212,-0.3 -0.315 360.0-109.2 -62.6 154.4 52.4 15.2 3.4 3 3 A V - 0 0 55 210,-0.2 26,-0.5 211,-0.1 2,-0.5 -0.742 18.4-124.6 -96.2 138.1 53.8 12.7 5.8 4 4 A V + 0 0 20 208,-2.9 23,-0.2 -2,-0.4 3,-0.1 -0.677 33.8 167.5 -79.1 119.3 54.2 13.3 9.6 5 5 A T + 0 0 52 21,-2.6 2,-0.3 -2,-0.5 -1,-0.1 0.559 63.8 13.5-107.4 -25.7 57.9 12.8 10.6 6 6 A D E -A 26 0A 53 20,-0.8 20,-2.9 2,-0.0 2,-0.4 -0.972 64.8-144.5-148.3 161.6 57.9 14.2 14.2 7 7 A K E -A 25 0A 63 -2,-0.3 159,-2.1 18,-0.2 2,-0.4 -0.995 9.0-169.2-131.8 137.0 55.4 15.2 16.8 8 8 A V E -AB 24 165A 0 16,-3.2 16,-3.4 -2,-0.4 2,-0.3 -0.952 10.8-147.2-119.1 153.2 55.4 18.0 19.3 9 9 A Y E -AB 23 164A 41 155,-2.5 155,-1.5 -2,-0.4 2,-0.4 -0.866 7.3-164.8-115.3 150.8 53.0 18.6 22.3 10 10 A F E -AB 22 163A 3 12,-2.8 12,-2.4 -2,-0.3 2,-0.7 -0.990 10.8-152.5-124.5 122.5 51.6 21.7 24.0 11 11 A D E -AB 21 162A 44 151,-3.1 150,-1.9 -2,-0.4 151,-1.3 -0.882 26.0-153.4 -92.5 116.3 49.9 21.5 27.4 12 12 A I E -AB 20 160A 5 8,-2.9 7,-3.3 -2,-0.7 8,-0.7 -0.703 18.3-173.1 -96.4 136.1 47.4 24.4 27.5 13 13 A T E -AB 18 159A 9 146,-2.0 146,-2.3 -2,-0.3 2,-0.5 -0.964 10.5-155.8-118.4 149.6 45.9 26.4 30.4 14 14 A I E > S-AB 17 158A 8 3,-2.1 3,-2.6 -2,-0.3 144,-0.2 -0.994 86.6 -18.4-122.0 120.2 43.2 29.1 30.2 15 15 A G T 3 S- 0 0 35 142,-2.5 143,-0.1 -2,-0.5 -1,-0.1 0.746 130.4 -55.9 45.2 27.8 43.3 31.6 33.1 16 16 A D T 3 S+ 0 0 124 141,-0.5 -1,-0.3 1,-0.3 142,-0.1 0.228 109.8 119.8 93.7 -12.4 45.4 28.9 34.8 17 17 A E E < S-A 14 0A 105 -3,-2.6 -3,-2.1 1,-0.0 -1,-0.3 -0.722 70.3-117.2 -80.7 133.7 43.0 25.9 34.6 18 18 A P E +A 13 0A 112 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.515 33.7 178.4 -64.8 134.9 44.6 23.0 32.6 19 19 A V E - 0 0 24 -7,-3.3 2,-0.2 1,-0.4 -6,-0.2 0.345 45.5 -94.4-121.2 6.8 42.5 22.4 29.5 20 20 A G E -A 12 0A 33 -8,-0.7 -8,-2.9 2,-0.0 -1,-0.4 -0.567 42.7 -60.3 115.9-172.4 44.5 19.5 27.9 21 21 A R E -A 11 0A 96 -10,-0.2 2,-0.5 -2,-0.2 118,-0.2 -0.875 27.8-157.2-118.4 137.0 47.2 18.7 25.4 22 22 A V E -A 10 0A 8 -12,-2.4 -12,-2.8 -2,-0.4 2,-0.5 -0.965 10.7-156.0-109.6 136.3 47.4 19.4 21.7 23 23 A V E -AC 9 135A 4 112,-2.5 111,-2.6 -2,-0.5 112,-1.2 -0.944 6.4-160.2-111.4 127.0 49.8 17.2 19.7 24 24 A I E -AC 8 133A 0 -16,-3.4 -16,-3.2 -2,-0.5 2,-0.5 -0.926 6.7-148.7-112.5 120.7 51.1 18.6 16.4 25 25 A G E -AC 7 132A 0 107,-3.0 107,-2.1 -2,-0.5 2,-0.3 -0.827 18.4-142.7 -87.4 125.5 52.5 16.3 13.7 26 26 A L E -AC 6 131A 0 -20,-2.9 -21,-2.6 -2,-0.5 2,-1.6 -0.676 10.4-137.0 -95.4 141.0 55.3 18.0 11.6 27 27 A F >> + 0 0 0 103,-2.7 4,-2.3 -2,-0.3 3,-0.9 -0.479 38.8 162.1 -94.1 69.8 55.9 17.5 7.8 28 28 A G T 34 + 0 0 15 -2,-1.6 -1,-0.2 1,-0.3 8,-0.1 0.664 66.6 54.7 -75.8 -15.3 59.7 17.2 8.2 29 29 A N T 34 S+ 0 0 126 -26,-0.5 -1,-0.3 -3,-0.2 -2,-0.1 0.751 116.5 38.1 -82.9 -23.2 60.4 15.6 4.8 30 30 A D T <4 S+ 0 0 73 -3,-0.9 -2,-0.2 -27,-0.3 -1,-0.1 0.793 134.0 17.0 -95.7 -33.0 58.6 18.5 3.0 31 31 A V S X S+ 0 0 0 -4,-2.3 4,-2.6 99,-0.1 3,-0.4 -0.445 71.1 162.8-135.0 60.2 59.6 21.6 5.0 32 32 A P H > S+ 0 0 69 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.812 73.7 49.4 -56.3 -38.0 62.6 20.5 7.0 33 33 A K H > S+ 0 0 84 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.872 113.5 45.3 -72.5 -37.9 63.9 24.0 7.9 34 34 A T H > S+ 0 0 0 -3,-0.4 4,-1.9 2,-0.2 -1,-0.2 0.881 114.1 49.7 -70.2 -42.3 60.6 25.2 9.1 35 35 A V H X S+ 0 0 6 -4,-2.6 4,-2.6 2,-0.2 -2,-0.2 0.910 109.1 51.8 -64.3 -43.0 60.0 22.0 11.1 36 36 A E H X S+ 0 0 94 -4,-2.5 4,-2.3 -5,-0.2 5,-0.2 0.913 109.1 51.4 -50.4 -48.6 63.5 22.2 12.7 37 37 A N H X S+ 0 0 1 -4,-1.9 4,-1.7 1,-0.2 -2,-0.2 0.949 112.6 45.1 -59.1 -47.4 62.7 25.8 13.8 38 38 A F H X S+ 0 0 0 -4,-1.9 4,-2.2 1,-0.2 -2,-0.2 0.921 113.0 50.2 -66.8 -45.6 59.4 24.7 15.4 39 39 A K H X S+ 0 0 58 -4,-2.6 4,-2.7 1,-0.2 -1,-0.2 0.914 111.6 47.0 -56.1 -51.0 60.8 21.6 17.2 40 40 A Q H X>S+ 0 0 36 -4,-2.3 4,-1.2 2,-0.2 5,-1.2 0.766 111.4 50.3 -63.1 -33.4 63.6 23.5 18.7 41 41 A L H <5S+ 0 0 0 -4,-1.7 9,-1.7 -5,-0.2 10,-0.5 0.833 112.3 49.1 -72.9 -38.0 61.4 26.3 19.9 42 42 A A H <5S+ 0 0 4 -4,-2.2 -2,-0.2 7,-0.2 121,-0.2 0.888 116.6 41.0 -64.1 -43.3 59.1 23.6 21.4 43 43 A S H <5S- 0 0 50 -4,-2.7 -2,-0.2 121,-0.2 -1,-0.2 0.745 99.8-142.1 -73.2 -22.2 62.1 21.9 23.1 44 44 A G T ><5 + 0 0 28 -4,-1.2 3,-2.0 -5,-0.2 -3,-0.2 0.749 47.0 151.0 68.8 27.1 63.5 25.3 24.0 45 45 A E T 3 < + 0 0 123 -5,-1.2 -4,-0.1 1,-0.3 4,-0.1 0.674 62.4 56.0 -77.0 -15.4 67.0 23.9 23.4 46 46 A N T 3 S- 0 0 77 2,-0.5 -1,-0.3 -6,-0.5 3,-0.1 0.383 125.5 -94.1 -88.8 -1.2 68.6 27.2 22.3 47 47 A G S < S+ 0 0 76 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.409 103.0 57.0 103.7 0.9 67.6 29.0 25.6 48 48 A F + 0 0 59 -8,-0.2 -2,-0.5 0, 0.0 2,-0.3 -0.958 60.3 105.4-150.2 160.3 64.3 30.5 24.4 49 49 A G S S- 0 0 13 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.983 70.3 -31.7 159.2-155.6 61.1 29.2 22.8 50 50 A Y S > S+ 0 0 0 -9,-1.7 3,-2.6 -2,-0.3 110,-0.3 0.688 81.7 112.7 -66.7 -24.8 57.4 28.5 23.3 51 51 A K T 3 S+ 0 0 126 -10,-0.5 -2,-0.2 1,-0.3 110,-0.2 -0.293 90.7 9.1 -61.1 127.4 57.1 27.4 26.9 52 52 A G T 3 S+ 0 0 31 108,-3.2 -1,-0.3 1,-0.3 109,-0.1 0.499 99.7 125.4 89.4 1.9 55.1 30.0 28.8 53 53 A S < - 0 0 0 -3,-2.6 107,-2.6 107,-0.3 -1,-0.3 -0.382 50.6-128.9 -89.9 173.5 54.0 31.9 25.8 54 54 A I B -D 159 0A 36 14,-0.3 2,-0.9 105,-0.2 13,-0.6 -0.825 17.3-115.7-119.5 161.1 50.4 32.7 24.9 55 55 A F E -E 66 0A 5 103,-2.5 103,-0.3 -2,-0.3 11,-0.3 -0.870 39.6-179.4 -82.1 98.3 47.8 32.5 22.1 56 56 A H E + 0 0 13 -2,-0.9 2,-0.4 9,-0.6 10,-0.1 0.652 63.2 40.3 -85.2 -14.2 47.5 36.3 21.9 57 57 A R E +E 65 0A 10 8,-1.4 8,-2.6 96,-0.2 2,-0.4 -0.978 63.1 174.9-140.8 121.5 44.8 36.3 19.1 58 58 A V E -E 64 0A 2 94,-2.6 2,-0.5 -2,-0.4 6,-0.2 -0.987 5.0-175.8-133.5 120.5 41.9 33.9 18.8 59 59 A I E >> -E 63 0A 33 4,-2.6 3,-1.8 -2,-0.4 4,-0.9 -0.958 27.8-124.2-120.7 117.5 39.1 34.0 16.2 60 60 A R T 34 S+ 0 0 154 -2,-0.5 85,-0.1 1,-0.3 81,-0.0 -0.284 95.2 10.9 -62.6 137.2 36.2 31.6 16.4 61 61 A N T 34 S+ 0 0 97 1,-0.1 -1,-0.3 56,-0.1 55,-0.0 0.648 129.5 59.5 64.7 19.9 35.7 29.6 13.2 62 62 A F T <4 S- 0 0 1 -3,-1.8 55,-2.5 1,-0.2 56,-0.6 0.404 102.0 -57.8-133.6 -84.8 39.0 30.8 11.9 63 63 A M E < -EF 59 116A 0 -4,-0.9 -4,-2.6 53,-0.3 2,-0.4 -0.948 28.4-121.3-157.0 174.4 42.3 30.1 13.8 64 64 A I E -EF 58 115A 4 51,-1.8 51,-2.0 -2,-0.3 2,-0.4 -0.967 30.7-156.6-124.0 137.9 44.3 30.5 17.0 65 65 A Q E +EF 57 114A 1 -8,-2.6 -8,-1.4 -2,-0.4 -9,-0.6 -0.974 26.1 135.6-124.6 133.2 47.6 32.4 16.8 66 66 A G E +EF 55 113A 0 47,-2.5 47,-1.7 -2,-0.4 -11,-0.2 -0.679 20.8 103.1-149.3-161.1 50.5 32.1 19.1 67 67 A G + 0 0 0 -13,-0.6 2,-1.5 45,-0.3 3,-0.1 0.514 43.6 130.7 93.6 4.9 54.3 31.8 19.3 68 68 A D > + 0 0 1 -14,-0.6 4,-1.3 1,-0.2 -14,-0.3 -0.651 19.1 160.2 -94.5 81.2 55.3 35.4 20.2 69 69 A F T 4 + 0 0 27 -2,-1.5 -1,-0.2 2,-0.1 -20,-0.1 0.429 67.1 53.8 -83.3 0.2 57.6 34.7 23.1 70 70 A T T 4 S+ 0 0 58 -3,-0.1 -1,-0.1 0, 0.0 -2,-0.1 0.869 127.7 8.0 -95.4 -53.7 59.4 38.0 22.9 71 71 A N T 4 S- 0 0 89 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.570 80.4-140.9-106.8 -12.7 56.5 40.6 23.1 72 72 A F S < S+ 0 0 96 -4,-1.3 -3,-0.1 1,-0.1 -4,-0.0 0.655 83.5 77.8 67.0 15.2 53.4 38.5 23.8 73 73 A D S S- 0 0 89 -7,-0.0 435,-0.1 80,-0.0 -1,-0.1 0.276 110.8 -91.8-142.2 10.1 51.2 40.6 21.5 74 74 A G S S+ 0 0 1 -6,-0.1 434,-0.1 433,-0.1 435,-0.1 0.377 105.7 91.9 96.3 -2.4 51.9 39.5 18.0 75 75 A T S S+ 0 0 71 432,-0.1 432,-0.1 -7,-0.1 2,-0.1 0.593 86.4 41.0 -95.7 -12.7 54.7 42.0 17.1 76 76 A G + 0 0 7 -8,-0.1 35,-0.3 432,-0.0 36,-0.3 -0.140 51.6 111.1-118.9-153.9 57.6 39.9 18.2 77 77 A G - 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