==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=27-NOV-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE(PEPTIDYL-PROLYL CIS-TRANS) 10-FEB-00 1DYW . COMPND 2 MOLECULE: CYCLOPHILIN 3; . SOURCE 2 ORGANISM_SCIENTIFIC: CAENORHABDITIS ELEGANS; . AUTHOR J.DORNAN,A.P.PAGE,P.TAYLOR,S.Y.WU,A.D.WINTER,H.HUSI, . 172 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7605.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 64.5 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 28.5 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 1.7 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 . 14 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 11.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 1 A M 0 0 151 0, 0.0 26,-0.3 0, 0.0 28,-0.0 0.000 360.0 360.0 360.0-149.6 68.4 31.0 4.8 2 2 A S - 0 0 95 24,-0.2 25,-0.5 25,-0.1 2,-0.5 0.141 360.0 -93.6 -80.8-161.1 68.9 32.4 8.3 3 3 A R - 0 0 77 23,-0.2 22,-0.1 22,-0.2 2,-0.1 -0.944 29.5-149.6-131.9 117.4 66.6 31.8 11.3 4 4 A S - 0 0 13 -2,-0.5 20,-2.9 20,-0.1 2,-0.5 -0.416 9.5-143.8 -71.5 150.1 63.8 34.1 12.2 5 5 A K E +A 23 0A 60 167,-0.6 166,-3.1 18,-0.2 167,-0.8 -0.987 24.4 174.2-121.3 130.6 62.8 34.5 15.9 6 6 A V E -AB 22 170A 0 16,-2.4 16,-3.4 -2,-0.5 2,-0.3 -0.820 10.6-151.9-130.9 168.6 59.1 35.0 16.7 7 7 A F E -AB 21 169A 21 162,-2.4 162,-1.6 -2,-0.3 2,-0.4 -0.972 13.6-154.8-145.7 160.1 57.0 35.2 19.8 8 8 A F E -AB 20 168A 0 12,-2.2 12,-2.7 -2,-0.3 2,-0.5 -0.994 12.7-152.6-125.0 130.4 53.6 34.7 21.4 9 9 A D E -AB 19 167A 39 158,-2.9 157,-1.5 -2,-0.4 158,-1.4 -0.937 28.8-149.6 -97.2 127.5 52.5 36.6 24.5 10 10 A I E -AB 18 165A 2 8,-2.9 7,-3.4 -2,-0.5 8,-0.6 -0.816 20.5-170.2-108.9 140.3 50.0 34.3 26.2 11 11 A T E -AB 16 164A 25 153,-2.1 153,-2.4 -2,-0.4 2,-0.5 -0.950 7.9-158.8-117.0 147.6 47.0 34.9 28.3 12 12 A I E > S-AB 15 163A 21 3,-2.5 3,-1.9 -2,-0.4 151,-0.2 -0.984 83.0 -17.1-127.4 118.9 45.2 32.1 30.2 13 13 A G T 3 S- 0 0 53 149,-2.7 -1,-0.1 -2,-0.5 150,-0.1 0.798 132.8 -51.1 50.4 39.0 41.6 32.9 31.2 14 14 A G T 3 S+ 0 0 65 148,-0.5 2,-0.6 1,-0.2 -1,-0.3 0.262 112.9 122.3 87.4 -8.3 42.5 36.6 30.5 15 15 A K E < -A 12 0A 147 -3,-1.9 -3,-2.5 1,-0.1 -1,-0.2 -0.760 69.7-115.4 -97.0 128.8 45.6 36.5 32.7 16 16 A A E +A 11 0A 75 -2,-0.6 -5,-0.3 -5,-0.2 3,-0.1 -0.294 37.2 174.6 -53.1 125.3 49.0 37.4 31.3 17 17 A S E - 0 0 40 -7,-3.4 -6,-0.2 1,-0.4 -1,-0.1 0.291 43.2 -92.0-126.3 8.1 51.1 34.2 31.5 18 18 A G E -A 10 0A 39 -8,-0.6 -8,-2.9 2,-0.0 2,-0.4 -0.451 45.3 -61.7 112.0 177.8 54.4 35.1 29.8 19 19 A R E -A 9 0A 101 -10,-0.2 2,-0.5 -2,-0.1 -10,-0.2 -0.894 26.5-153.5-113.3 133.4 56.1 34.9 26.4 20 20 A I E -A 8 0A 0 -12,-2.7 -12,-2.2 -2,-0.4 2,-0.5 -0.930 16.6-161.7 -97.1 121.0 56.9 31.9 24.2 21 21 A V E -AC 7 141A 4 120,-2.2 119,-3.0 -2,-0.5 120,-1.6 -0.893 8.7-167.2-108.4 129.9 59.9 32.7 21.9 22 22 A M E -AC 6 139A 0 -16,-3.4 -16,-2.4 -2,-0.5 2,-0.5 -0.921 16.3-147.7-122.6 144.9 60.4 30.4 18.9 23 23 A E E -AC 5 138A 35 115,-2.8 115,-2.0 -2,-0.4 2,-0.3 -0.929 21.2-148.9-102.8 130.6 63.3 29.9 16.4 24 24 A L E - C 0 137A 0 -20,-2.9 2,-1.1 -2,-0.5 113,-0.3 -0.736 15.6-126.8-101.3 154.0 62.2 29.0 12.9 25 25 A Y >> + 0 0 19 111,-3.1 4,-2.7 -2,-0.3 3,-1.1 -0.513 43.9 155.5 -93.1 67.1 64.2 26.8 10.5 26 26 A D T 34 S+ 0 0 11 -2,-1.1 -1,-0.2 -24,-0.4 -24,-0.2 0.747 73.7 57.8 -62.4 -29.4 64.2 29.2 7.5 27 27 A D T 34 S+ 0 0 70 -25,-0.5 -1,-0.3 -26,-0.3 -24,-0.1 0.742 116.9 31.7 -71.2 -27.6 67.4 27.5 6.3 28 28 A V T <4 S+ 0 0 21 -3,-1.1 -2,-0.2 1,-0.2 68,-0.1 0.845 136.4 16.5-100.2 -40.5 65.6 24.1 6.1 29 29 A V X + 0 0 0 -4,-2.7 4,-3.1 107,-0.1 5,-0.3 -0.609 67.3 168.2-137.0 69.3 62.0 24.8 5.3 30 30 A P H > S+ 0 0 59 0, 0.0 4,-2.0 0, 0.0 5,-0.2 0.870 77.6 47.7 -55.3 -41.7 61.9 28.4 3.9 31 31 A K H > S+ 0 0 89 2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.894 116.7 42.7 -70.0 -38.3 58.4 28.2 2.6 32 32 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.927 116.3 46.4 -75.1 -44.8 56.9 26.7 5.7 33 33 A A H X S+ 0 0 0 -4,-3.1 4,-2.6 -8,-0.2 -2,-0.2 0.854 110.1 56.1 -62.8 -35.6 58.9 29.0 8.1 34 34 A G H X S+ 0 0 16 -4,-2.0 4,-2.6 -5,-0.3 5,-0.2 0.890 105.0 50.9 -66.4 -41.7 57.9 32.0 6.0 35 35 A N H X S+ 0 0 1 -4,-1.5 4,-1.7 2,-0.2 -1,-0.2 0.943 112.9 45.9 -56.9 -50.0 54.2 31.2 6.3 36 36 A F H X S+ 0 0 2 -4,-1.9 4,-1.3 2,-0.2 -2,-0.2 0.930 112.4 51.0 -61.9 -45.4 54.5 31.0 10.1 37 37 A R H >X S+ 0 0 50 -4,-2.6 4,-1.8 1,-0.2 3,-0.7 0.944 111.2 46.8 -58.7 -49.7 56.6 34.2 10.4 38 38 A A H 3X S+ 0 0 0 -4,-2.6 4,-1.9 1,-0.3 5,-0.5 0.835 108.6 55.5 -65.2 -28.6 54.2 36.2 8.3 39 39 A L H 3< S+ 0 0 0 -4,-1.7 16,-2.4 -5,-0.2 17,-0.4 0.787 106.8 52.3 -76.7 -21.2 51.3 34.9 10.4 40 40 A C H << S+ 0 0 0 -4,-1.3 -2,-0.2 -3,-0.7 -1,-0.2 0.863 117.3 36.2 -74.3 -39.2 53.1 36.1 13.5 41 41 A T H < S- 0 0 45 -4,-1.8 -2,-0.2 128,-0.2 -3,-0.2 0.677 96.0-138.8 -85.8 -22.0 53.5 39.7 12.1 42 42 A G >< + 0 0 15 -4,-1.9 3,-1.9 11,-0.3 11,-0.2 0.541 53.5 144.6 72.9 11.0 50.2 39.8 10.3 43 43 A E T 3 + 0 0 104 -5,-0.5 -4,-0.1 1,-0.3 11,-0.1 0.578 59.2 60.8 -64.9 -16.0 52.0 41.5 7.3 44 44 A N T 3 S- 0 0 86 -6,-0.5 -1,-0.3 9,-0.4 10,-0.1 0.255 91.7-160.0 -94.1 15.4 49.9 39.8 4.6 45 45 A G < + 0 0 35 -3,-1.9 8,-3.2 8,-0.2 2,-0.3 -0.159 51.1 14.6 60.7-137.4 46.7 41.4 5.9 46 46 A I B S-I 52 0B 107 6,-0.2 2,-0.1 7,-0.1 5,-0.0 -0.636 72.4-150.1 -83.7 131.3 43.3 40.0 5.1 47 47 A G > - 0 0 8 4,-2.1 3,-2.5 -2,-0.3 38,-0.1 -0.258 38.7 -83.2 -91.2 179.2 43.2 36.5 3.5 48 48 A K T 3 S+ 0 0 169 1,-0.3 -2,-0.1 2,-0.1 40,-0.0 0.792 126.6 62.9 -59.5 -26.5 40.8 34.9 1.1 49 49 A S T 3 S- 0 0 41 2,-0.2 -1,-0.3 1,-0.1 -3,-0.0 0.607 113.5-115.8 -73.4 -13.2 38.6 34.1 4.1 50 50 A G S < S+ 0 0 50 -3,-2.5 -2,-0.1 1,-0.4 -1,-0.1 0.367 83.9 105.2 90.6 -5.0 38.0 37.8 4.9 51 51 A K S S- 0 0 93 1,-0.1 -4,-2.1 -6,-0.0 -1,-0.4 -0.768 82.8 -83.9-105.6 153.5 39.8 37.4 8.2 52 52 A P B -I 46 0B 69 0, 0.0 2,-1.9 0, 0.0 -6,-0.2 -0.274 27.9-131.8 -56.9 134.6 43.3 38.6 9.2 53 53 A L S S+ 0 0 6 -8,-3.2 -9,-0.4 -11,-0.2 2,-0.3 -0.558 74.2 111.9 -79.9 69.9 46.2 36.3 8.3 54 54 A H - 0 0 45 -2,-1.9 -14,-0.2 2,-0.1 -15,-0.1 -0.985 67.3-145.9-155.4 131.5 47.4 36.7 11.9 55 55 A F > + 0 0 0 -16,-2.4 3,-2.0 -2,-0.3 110,-0.3 0.576 66.4 117.0 -75.5 -11.8 47.7 34.6 15.0 56 56 A K T 3 S+ 0 0 108 -17,-0.4 110,-0.2 1,-0.3 -2,-0.1 -0.393 83.5 10.0 -65.6 131.2 47.0 37.6 17.2 57 57 A G T 3 S+ 0 0 41 108,-3.3 -1,-0.3 1,-0.3 109,-0.1 0.279 101.4 119.1 84.2 -8.2 43.8 37.1 19.2 58 58 A S < - 0 0 12 -3,-2.0 107,-3.2 107,-0.4 -1,-0.3 -0.352 52.6-135.0 -84.7 173.6 43.4 33.4 18.2 59 59 A K B -D 164 0A 70 105,-0.3 2,-1.2 14,-0.3 13,-0.4 -0.770 22.5-105.5-124.4 166.9 43.5 30.6 20.8 60 60 A F + 0 0 1 103,-2.9 103,-0.4 -2,-0.3 11,-0.2 -0.807 43.5 177.9 -86.9 97.6 44.9 27.2 21.4 61 61 A H + 0 0 21 -2,-1.2 2,-0.4 9,-0.4 -1,-0.2 0.669 64.5 43.5 -79.8 -18.0 41.7 25.4 20.6 62 62 A R E +E 70 0A 102 8,-1.5 8,-3.0 96,-0.1 2,-0.4 -0.971 62.9 166.3-137.4 114.0 43.1 21.8 21.1 63 63 A I E -E 69 0A 0 94,-2.2 91,-2.1 -2,-0.4 94,-0.4 -0.989 8.8-175.7-135.4 113.9 45.3 21.0 24.0 64 64 A I E >> -E 68 0A 28 4,-2.1 3,-1.3 -2,-0.4 4,-1.1 -0.960 29.8-118.0-116.7 119.6 46.1 17.3 24.9 65 65 A P T 34 S+ 0 0 42 0, 0.0 86,-0.1 0, 0.0 85,-0.0 -0.306 96.4 11.5 -58.4 140.8 48.1 16.6 28.0 66 66 A N T 34 S+ 0 0 123 1,-0.1 56,-0.0 57,-0.1 58,-0.0 0.727 127.6 59.9 64.7 29.5 51.4 14.7 27.4 67 67 A F T <4 S- 0 0 47 -3,-1.3 56,-2.6 54,-0.1 57,-1.0 0.301 100.6 -63.0-142.0 -81.3 51.1 15.4 23.6 68 68 A M E < -EF 64 122A 3 -4,-1.1 -4,-2.1 54,-0.3 2,-0.4 -0.987 28.5-110.8-172.0 164.5 50.9 18.9 22.3 69 69 A I E -EF 63 121A 0 52,-2.8 52,-2.9 -2,-0.3 2,-0.4 -0.949 34.3-162.3-110.1 135.5 49.2 22.2 22.1 70 70 A Q E +EF 62 120A 15 -8,-3.0 -8,-1.5 -2,-0.4 -9,-0.4 -0.959 21.3 139.1-125.7 136.5 47.6 23.2 18.8 71 71 A G E + F 0 119A 0 48,-1.8 48,-2.0 -2,-0.4 37,-0.2 -0.673 22.4 109.6-143.9-160.0 46.4 26.6 17.4 72 72 A G + 0 0 0 -13,-0.4 2,-1.6 46,-0.3 11,-0.4 0.400 44.9 126.0 98.9 -2.9 46.4 28.6 14.2 73 73 A D > + 0 0 5 -14,-0.4 4,-0.8 1,-0.2 -14,-0.3 -0.554 19.6 154.0 -91.8 80.8 42.7 28.4 13.5 74 74 A F T 4 + 0 0 21 -2,-1.6 -1,-0.2 1,-0.2 -20,-0.0 0.321 68.9 51.1 -86.4 8.1 42.0 32.1 13.2 75 75 A T T 4 S+ 0 0 13 -3,-0.1 -1,-0.2 -24,-0.1 -2,-0.1 0.789 130.8 6.2-111.5 -33.9 39.0 31.6 10.9 76 76 A R T 4 S- 0 0 135 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.635 80.2-146.3-116.8 -21.8 36.8 29.1 12.6 77 77 A G S < S+ 0 0 31 -4,-0.8 -3,-0.1 1,-0.1 -4,-0.1 0.623 79.1 81.8 67.9 18.0 38.6 28.7 15.9 78 78 A N S S- 0 0 94 -7,-0.0 -1,-0.1 -16,-0.0 -4,-0.1 0.313 111.2 -89.7-136.5 8.2 37.7 25.0 16.2 79 79 A G S S+ 0 0 31 -6,-0.1 39,-0.1 -17,-0.0 -8,-0.0 0.324 110.6 87.4 101.5 -14.6 40.2 23.0 14.1 80 80 A T S S+ 0 0 106 -7,-0.1 2,-0.1 0, 0.0 -7,-0.0 0.596 88.2 41.3 -96.7 -10.4 38.1 23.2 10.9 81 81 A G + 0 0 6 -8,-0.0 36,-0.3 2,-0.0 37,-0.3 -0.049 52.3 117.8-117.1-144.3 39.6 26.5 9.6 82 82 A G - 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