==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 25-SEP-00 1E8K . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: CAENORHABDITIS ELEGANS; . AUTHOR S.Y.WU,J.DORNAN,G.KONTOPIDIS,P.TAYLOR,M.D.WALKINSHAW . 174 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7482.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 62.6 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 28.2 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 . 2 1.1 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-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 . 1 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 . 11 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 11.5 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 1 A M 0 0 164 0, 0.0 26,-0.4 0, 0.0 27,-0.1 0.000 360.0 360.0 360.0-173.3 71.6 30.2 6.2 2 2 A S - 0 0 74 24,-0.1 25,-0.6 1,-0.1 2,-0.4 0.477 360.0-147.1 -31.0 157.1 69.6 32.6 8.5 3 3 A R - 0 0 87 23,-0.2 22,-0.1 169,-0.1 2,-0.1 -0.927 9.3-140.6-141.7 123.7 67.0 31.9 11.1 4 4 A S - 0 0 8 -2,-0.4 20,-2.8 20,-0.2 2,-0.4 -0.415 12.2-145.9 -70.9 150.3 64.1 34.1 12.0 5 5 A K E +A 23 0A 84 18,-0.2 166,-3.1 167,-0.2 167,-1.2 -0.991 22.3 173.9-120.7 130.1 63.1 34.6 15.6 6 6 A V E -AB 22 170A 0 16,-2.4 16,-3.3 -2,-0.4 2,-0.3 -0.874 10.4-154.7-132.4 161.5 59.4 35.1 16.5 7 7 A F E -AB 21 169A 21 162,-2.2 162,-1.4 -2,-0.3 2,-0.4 -0.956 12.0-156.5-138.2 157.7 57.4 35.3 19.7 8 8 A F E -AB 20 168A 0 12,-2.3 12,-3.3 -2,-0.3 2,-0.5 -0.999 11.4-152.6-124.5 131.9 54.0 34.8 21.3 9 9 A D E -AB 19 167A 37 158,-3.0 157,-1.7 -2,-0.4 158,-1.5 -0.945 27.5-151.3 -97.9 126.2 52.9 36.6 24.4 10 10 A I E -AB 18 165A 4 8,-2.7 7,-2.7 -2,-0.5 8,-0.6 -0.781 17.9-167.2-104.5 139.4 50.4 34.3 26.1 11 11 A T E -AB 16 164A 23 153,-2.5 153,-2.6 -2,-0.3 2,-0.5 -0.955 6.8-159.4-114.1 147.0 47.4 35.0 28.3 12 12 A I E > S-AB 15 163A 21 3,-2.6 3,-2.3 -2,-0.4 151,-0.2 -0.992 83.2 -17.5-127.1 120.5 45.6 32.2 30.2 13 13 A G T 3 S- 0 0 52 149,-2.4 -1,-0.1 -2,-0.5 150,-0.1 0.853 131.6 -54.4 49.5 39.4 42.1 33.0 31.3 14 14 A G T 3 S+ 0 0 63 148,-0.5 2,-0.5 1,-0.2 -1,-0.3 0.333 111.1 125.4 82.6 -6.1 43.2 36.6 30.6 15 15 A K E < -A 12 0A 155 -3,-2.3 -3,-2.6 1,-0.0 -1,-0.2 -0.773 69.1-115.2 -93.3 129.7 46.2 36.5 32.9 16 16 A A E +A 11 0A 81 -2,-0.5 -5,-0.2 -5,-0.2 3,-0.1 -0.415 39.3 174.1 -58.9 131.0 49.6 37.4 31.3 17 17 A S E - 0 0 40 -7,-2.7 2,-0.2 1,-0.4 -6,-0.2 0.294 42.4 -89.8-129.9 3.5 51.6 34.2 31.5 18 18 A G E -A 10 0A 35 -8,-0.6 -8,-2.7 2,-0.0 2,-0.4 -0.509 43.5 -63.9 118.0 176.9 54.8 35.0 29.6 19 19 A R E -A 9 0A 100 -10,-0.2 2,-0.6 -2,-0.2 -10,-0.2 -0.853 27.4-152.4-110.9 134.8 56.5 34.9 26.2 20 20 A I E -A 8 0A 0 -12,-3.3 -12,-2.3 -2,-0.4 2,-0.5 -0.934 15.0-160.4-101.5 124.3 57.3 32.0 24.0 21 21 A V E -AC 7 141A 2 120,-2.7 119,-3.6 -2,-0.6 120,-1.7 -0.912 9.4-169.9-108.8 128.4 60.3 32.6 21.8 22 22 A M E -AC 6 139A 0 -16,-3.3 -16,-2.4 -2,-0.5 2,-0.5 -0.943 16.5-148.6-121.5 138.7 60.7 30.4 18.7 23 23 A E E -AC 5 138A 29 115,-2.7 115,-2.2 -2,-0.4 2,-0.3 -0.914 20.7-147.5 -98.8 128.2 63.6 30.0 16.2 24 24 A L E - C 0 137A 0 -20,-2.8 2,-1.2 -2,-0.5 113,-0.3 -0.743 13.9-128.5 -97.6 150.3 62.4 29.1 12.7 25 25 A Y >> + 0 0 19 111,-2.7 4,-2.5 -2,-0.3 3,-1.7 -0.502 42.7 157.1 -93.1 64.4 64.4 26.9 10.3 26 26 A D T 34 S+ 0 0 19 -2,-1.2 -1,-0.2 1,-0.3 -23,-0.2 0.802 72.4 60.0 -60.0 -26.1 64.4 29.3 7.3 27 27 A D T 34 S+ 0 0 54 -25,-0.6 -1,-0.3 -26,-0.4 -25,-0.1 0.723 115.3 31.3 -74.3 -23.7 67.5 27.5 6.1 28 28 A V T <4 S+ 0 0 25 -3,-1.7 -2,-0.2 1,-0.2 -1,-0.1 0.811 137.5 15.2-101.8 -41.3 65.7 24.1 5.9 29 29 A V X + 0 0 0 -4,-2.5 4,-3.1 107,-0.1 5,-0.3 -0.618 68.0 167.6-132.5 71.1 62.1 24.9 5.0 30 30 A P H > S+ 0 0 68 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.866 77.6 49.2 -60.2 -35.6 62.1 28.5 3.8 31 31 A K H > S+ 0 0 88 2,-0.2 4,-1.7 3,-0.2 5,-0.1 0.910 116.6 41.8 -71.9 -38.6 58.5 28.4 2.4 32 32 A T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 5,-0.2 0.943 118.3 45.3 -71.0 -50.6 57.1 26.9 5.6 33 33 A A H X S+ 0 0 0 -4,-3.1 4,-2.9 -8,-0.2 5,-0.2 0.904 111.6 54.2 -55.2 -45.6 59.2 29.1 8.0 34 34 A G H X S+ 0 0 16 -4,-2.5 4,-2.3 -5,-0.3 -1,-0.2 0.880 106.2 51.0 -64.2 -39.3 58.3 32.1 5.8 35 35 A N H X S+ 0 0 0 -4,-1.7 4,-1.8 2,-0.2 -1,-0.2 0.949 113.4 45.3 -58.1 -49.5 54.5 31.5 6.1 36 36 A F H X S+ 0 0 1 -4,-2.0 4,-1.4 1,-0.2 -2,-0.2 0.949 111.3 52.2 -63.6 -44.3 54.8 31.2 9.9 37 37 A R H >X S+ 0 0 47 -4,-2.9 4,-1.9 1,-0.2 3,-0.8 0.956 110.4 48.8 -53.2 -50.6 57.0 34.3 10.2 38 38 A A H 3X>S+ 0 0 1 -4,-2.3 4,-2.1 1,-0.3 5,-0.6 0.819 108.3 53.4 -65.0 -29.3 54.4 36.4 8.1 39 39 A L H 3<5S+ 0 0 0 -4,-1.8 16,-2.4 2,-0.2 17,-0.4 0.748 107.4 53.1 -79.1 -20.2 51.6 35.1 10.3 40 40 A C H <<5S+ 0 0 0 -4,-1.4 -2,-0.2 -3,-0.8 -1,-0.2 0.872 117.1 36.4 -74.8 -40.4 53.5 36.3 13.4 41 41 A T H <5S- 0 0 42 -4,-1.9 -2,-0.2 128,-0.2 -3,-0.2 0.731 96.1-137.4 -83.3 -26.4 53.9 39.8 12.0 42 42 A G T ><5 + 0 0 17 -4,-2.1 3,-2.0 -5,-0.2 11,-0.2 0.597 54.1 144.7 81.6 6.9 50.6 40.1 10.3 43 43 A E T 3 < + 0 0 106 -5,-0.6 -4,-0.1 1,-0.3 11,-0.1 0.664 57.9 61.4 -66.5 -20.6 52.4 41.6 7.3 44 44 A N T 3 S- 0 0 82 -6,-0.5 -1,-0.3 9,-0.4 10,-0.1 0.255 90.8-156.2 -92.1 15.8 50.2 40.1 4.6 45 45 A G < + 0 0 37 -3,-2.0 8,-3.0 8,-0.2 2,-0.3 -0.257 52.3 9.8 68.1-143.0 47.1 41.8 5.8 46 46 A I B S-I 52 0B 105 6,-0.3 2,-0.1 1,-0.1 5,-0.0 -0.652 72.6-150.8 -85.0 131.9 43.6 40.4 5.1 47 47 A G > - 0 0 6 4,-2.5 3,-3.1 -2,-0.3 38,-0.1 -0.317 37.5 -83.1 -96.0-179.5 43.4 36.9 3.5 48 48 A K T 3 S+ 0 0 161 1,-0.3 -2,-0.0 2,-0.1 -1,-0.0 0.772 127.5 62.3 -52.8 -32.3 41.0 35.2 1.3 49 49 A S T 3 S- 0 0 49 2,-0.2 -1,-0.3 1,-0.1 -3,-0.0 0.569 114.1-118.5 -68.5 -10.1 38.9 34.4 4.3 50 50 A G S < S+ 0 0 50 -3,-3.1 -2,-0.1 1,-0.3 -1,-0.1 0.370 82.6 106.9 80.8 -4.0 38.4 38.1 4.9 51 51 A K S S- 0 0 93 1,-0.1 -4,-2.5 -5,-0.0 -1,-0.3 -0.756 82.8 -85.2-103.4 153.6 40.2 37.8 8.3 52 52 A P B -I 46 0B 67 0, 0.0 2,-1.8 0, 0.0 -6,-0.3 -0.264 29.6-130.1 -53.3 133.9 43.7 39.0 9.2 53 53 A L S S+ 0 0 7 -8,-3.0 -9,-0.4 -11,-0.2 2,-0.3 -0.615 74.3 112.0 -81.5 75.4 46.5 36.5 8.3 54 54 A H - 0 0 45 -2,-1.8 -14,-0.2 2,-0.1 -15,-0.1 -0.959 66.4-146.8-156.2 127.2 47.8 37.0 11.9 55 55 A F > + 0 0 0 -16,-2.4 3,-2.3 -2,-0.3 110,-0.3 0.645 66.5 117.9 -71.4 -11.9 48.0 34.7 14.9 56 56 A K T 3 S+ 0 0 104 -17,-0.4 110,-0.2 1,-0.3 -2,-0.1 -0.296 82.6 12.4 -61.8 131.4 47.4 37.7 17.2 57 57 A G T 3 S+ 0 0 44 108,-3.0 -1,-0.3 1,-0.3 109,-0.1 0.311 102.7 119.8 89.5 -14.0 44.2 37.3 19.2 58 58 A S < - 0 0 11 -3,-2.3 107,-3.0 107,-0.3 -1,-0.3 -0.293 50.9-137.1 -85.7 172.9 43.9 33.6 18.3 59 59 A K B -D 164 0A 90 14,-0.3 2,-1.2 105,-0.2 13,-0.6 -0.779 23.2-104.3-125.9 166.2 43.9 30.7 20.7 60 60 A F + 0 0 1 103,-2.2 103,-0.3 -2,-0.3 11,-0.3 -0.796 42.1 176.9 -86.5 95.3 45.3 27.2 21.3 61 61 A H + 0 0 33 -2,-1.2 2,-0.4 9,-0.4 -1,-0.2 0.689 65.5 42.5 -78.6 -17.2 42.0 25.5 20.5 62 62 A R E +E 70 0A 69 8,-1.8 8,-2.8 96,-0.1 2,-0.4 -0.969 64.4 167.5-135.1 116.2 43.5 21.9 20.9 63 63 A I E -E 69 0A 0 94,-2.6 91,-1.4 -2,-0.4 94,-0.4 -0.981 10.7-170.6-135.8 119.9 45.7 21.0 23.8 64 64 A I E >> -E 68 0A 26 4,-2.9 3,-1.4 -2,-0.4 4,-1.3 -0.949 26.5-120.0-121.0 121.0 46.7 17.4 24.8 65 65 A P T 34 S+ 0 0 39 0, 0.0 86,-0.1 0, 0.0 3,-0.0 -0.280 97.2 8.6 -57.1 139.7 48.5 16.6 28.0 66 66 A N T 34 S+ 0 0 119 1,-0.2 56,-0.0 57,-0.1 58,-0.0 0.782 129.7 59.8 55.8 34.6 51.8 14.9 27.4 67 67 A F T <4 S- 0 0 28 -3,-1.4 56,-2.7 54,-0.1 57,-0.8 0.153 100.7 -57.0-145.9 -79.0 51.6 15.5 23.7 68 68 A M E < -EF 64 122A 0 -4,-1.3 -4,-2.9 54,-0.3 2,-0.4 -0.993 29.4-113.1-169.8 166.2 51.3 19.0 22.3 69 69 A I E -EF 63 121A 0 52,-2.7 52,-2.5 -2,-0.3 2,-0.4 -0.947 34.2-160.4-113.1 134.5 49.6 22.4 22.2 70 70 A Q E +EF 62 120A 6 -8,-2.8 -8,-1.8 -2,-0.4 -9,-0.4 -0.974 21.8 139.7-128.8 130.5 47.9 23.4 18.9 71 71 A G E + F 0 119A 0 48,-1.8 48,-2.0 -2,-0.4 -11,-0.2 -0.618 22.9 105.5-136.9-163.9 46.9 26.8 17.5 72 72 A G + 0 0 0 -13,-0.6 2,-1.6 46,-0.2 11,-0.3 0.443 43.7 127.5 103.3 -1.8 46.7 28.8 14.4 73 73 A D > + 0 0 4 -14,-0.5 4,-0.6 1,-0.2 -14,-0.3 -0.612 18.9 153.6 -90.6 82.4 43.0 28.7 13.5 74 74 A F T 4 + 0 0 17 -2,-1.6 -1,-0.2 2,-0.1 -20,-0.0 0.352 69.7 48.8 -90.8 4.3 42.4 32.4 13.2 75 75 A T T 4 S+ 0 0 19 -3,-0.1 -1,-0.1 -24,-0.1 -2,-0.1 0.750 131.1 10.3-106.6 -39.2 39.4 31.9 10.8 76 76 A R T 4 S- 0 0 138 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.686 81.6-146.5-111.1 -22.3 37.3 29.3 12.6 77 77 A G S < S+ 0 0 38 -4,-0.6 -3,-0.1 1,-0.1 -4,-0.1 0.656 80.4 76.6 72.5 14.3 39.0 29.1 15.9 78 78 A N S S- 0 0 92 -7,-0.0 -1,-0.1 -16,-0.0 -4,-0.1 0.374 113.3 -86.7-143.5 10.0 38.2 25.5 16.2 79 79 A G S S+ 0 0 32 -6,-0.1 39,-0.1 -17,-0.0 -2,-0.0 0.205 113.1 85.0 100.3 -18.9 40.5 23.4 14.1 80 80 A T S S+ 0 0 97 -7,-0.1 2,-0.0 -4,-0.0 -7,-0.0 0.688 88.8 51.4 -87.0 -13.3 38.4 23.6 11.0 81 81 A G + 0 0 5 -8,-0.1 36,-0.3 2,-0.0 37,-0.2 0.087 50.3 114.7-107.8-148.9 40.0 26.9 9.9 82 82 A G - 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