==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=1-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 25-SEP-06 2IGW . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE 3; . SOURCE 2 ORGANISM_SCIENTIFIC: CAENORHABDITIS ELEGANS; . AUTHOR D.KAN . 174 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7733.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 108 62.1 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 . 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 . 12 6.9 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 0 157 0, 0.0 2,-0.6 0, 0.0 26,-0.2 0.000 360.0 360.0 360.0-124.9 72.2 31.4 5.5 2 2 A S - 0 0 88 24,-0.1 2,-0.3 1,-0.1 24,-0.0 -0.675 360.0-141.4 -85.6 113.6 70.9 33.9 8.1 3 3 A R - 0 0 71 -2,-0.6 22,-0.1 23,-0.1 2,-0.1 -0.535 13.0-130.0 -84.2 130.5 68.4 32.6 10.6 4 4 A S - 0 0 14 -2,-0.3 20,-3.3 20,-0.2 2,-0.4 -0.478 11.9-148.4 -76.3 148.6 65.4 34.6 11.7 5 5 A K E +A 23 0A 66 166,-0.4 166,-3.8 18,-0.2 2,-0.3 -0.992 22.0 169.9-123.1 122.5 64.4 35.2 15.3 6 6 A V E -AB 22 170A 0 16,-2.4 16,-3.2 -2,-0.4 2,-0.3 -0.844 12.0-153.8-128.6 162.9 60.8 35.7 16.3 7 7 A F E -AB 21 169A 21 162,-2.4 162,-1.5 -2,-0.3 2,-0.4 -0.977 12.5-155.3-141.0 156.2 58.9 35.8 19.6 8 8 A F E -AB 20 168A 0 12,-2.2 12,-3.2 -2,-0.3 2,-0.5 -0.990 10.3-154.3-121.2 131.3 55.5 35.3 21.3 9 9 A D E -AB 19 167A 38 158,-2.6 157,-1.7 -2,-0.4 158,-1.3 -0.944 29.0-152.2 -96.8 122.1 54.5 37.1 24.5 10 10 A I E -AB 18 165A 3 8,-2.8 7,-2.7 -2,-0.5 8,-0.6 -0.767 18.0-167.5-106.0 140.1 52.0 34.7 26.1 11 11 A T E -AB 16 164A 27 153,-2.3 153,-2.3 -2,-0.3 2,-0.5 -0.960 6.3-158.7-120.8 148.9 49.0 35.3 28.4 12 12 A I E > S-AB 15 163A 21 3,-2.6 3,-2.2 -2,-0.4 151,-0.2 -0.979 81.4 -16.4-129.2 117.7 47.2 32.5 30.3 13 13 A G T 3 S- 0 0 47 149,-2.7 -1,-0.2 -2,-0.5 150,-0.1 0.839 131.3 -54.2 54.2 34.6 43.7 33.3 31.5 14 14 A G T 3 S+ 0 0 65 148,-0.5 2,-0.4 1,-0.2 -1,-0.3 0.308 112.7 121.0 85.7 -11.3 44.6 36.9 30.8 15 15 A K E < S-A 12 0A 150 -3,-2.2 -3,-2.6 1,-0.1 -1,-0.2 -0.727 71.4-107.2 -94.3 138.5 47.8 36.9 33.0 16 16 A A E +A 11 0A 78 -2,-0.4 -5,-0.2 -5,-0.2 -1,-0.1 -0.373 40.9 170.9 -58.7 121.7 51.2 37.7 31.7 17 17 A S E - 0 0 36 -7,-2.7 2,-0.2 1,-0.4 -6,-0.2 0.359 42.9 -98.1-123.4 4.9 53.2 34.4 31.5 18 18 A G E -A 10 0A 36 -8,-0.6 -8,-2.8 2,-0.0 2,-0.4 -0.519 41.0 -58.0 113.3 177.9 56.4 35.3 29.7 19 19 A R E -A 9 0A 100 -10,-0.2 2,-0.5 -2,-0.2 -10,-0.2 -0.905 27.7-156.5-115.7 129.1 58.1 35.3 26.3 20 20 A I E -A 8 0A 0 -12,-3.2 -12,-2.2 -2,-0.4 2,-0.5 -0.899 14.1-161.3 -97.8 129.3 58.9 32.4 24.0 21 21 A V E -AC 7 141A 2 120,-2.7 119,-3.3 -2,-0.5 120,-1.4 -0.954 7.3-167.4-114.6 130.9 61.7 33.1 21.6 22 22 A M E -AC 6 139A 0 -16,-3.2 -16,-2.4 -2,-0.5 2,-0.5 -0.936 14.4-150.5-120.7 139.5 62.1 31.0 18.5 23 23 A E E -AC 5 138A 31 115,-2.5 115,-1.9 -2,-0.4 2,-0.3 -0.907 20.7-148.7 -99.0 132.1 65.0 30.6 16.0 24 24 A L E - C 0 137A 0 -20,-3.3 2,-0.9 -2,-0.5 113,-0.2 -0.745 14.4-129.2-104.1 154.6 63.9 29.6 12.4 25 25 A Y >> + 0 0 23 111,-2.3 4,-2.6 -2,-0.3 3,-2.1 -0.509 41.4 157.0 -98.6 61.1 65.8 27.5 9.9 26 26 A D T 34 S+ 0 0 19 -2,-0.9 -1,-0.2 1,-0.3 8,-0.1 0.822 73.0 60.7 -54.2 -33.5 65.6 29.9 6.9 27 27 A D T 34 S+ 0 0 63 -26,-0.2 -1,-0.3 -3,-0.2 -2,-0.1 0.680 115.5 30.6 -67.8 -22.8 68.7 28.2 5.5 28 28 A V T <4 S+ 0 0 24 -3,-2.1 -2,-0.2 1,-0.1 -1,-0.2 0.754 138.5 16.0-107.6 -37.8 67.0 24.8 5.4 29 29 A V X + 0 0 0 -4,-2.6 4,-3.6 107,-0.1 5,-0.4 -0.574 67.6 166.3-137.4 66.0 63.3 25.6 4.7 30 30 A P H > S+ 0 0 75 0, 0.0 4,-2.1 0, 0.0 5,-0.1 0.837 77.9 48.5 -55.7 -36.3 63.3 29.3 3.5 31 31 A K H > S+ 0 0 93 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.919 116.6 41.7 -71.6 -44.8 59.7 29.1 2.2 32 32 A T H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.944 117.3 48.1 -66.5 -46.9 58.3 27.6 5.4 33 33 A A H X S+ 0 0 0 -4,-3.6 4,-2.5 1,-0.2 -2,-0.2 0.896 110.3 51.9 -61.8 -41.6 60.4 29.8 7.6 34 34 A G H X S+ 0 0 18 -4,-2.1 4,-2.6 -5,-0.4 5,-0.2 0.897 105.1 55.3 -66.6 -36.1 59.4 32.9 5.7 35 35 A N H X S+ 0 0 2 -4,-1.9 4,-1.6 2,-0.2 -1,-0.2 0.951 112.1 42.7 -57.8 -51.3 55.7 32.2 6.0 36 36 A F H X S+ 0 0 3 -4,-1.8 4,-1.6 1,-0.2 -2,-0.2 0.913 112.3 54.0 -64.5 -42.7 55.9 32.0 9.8 37 37 A R H >X S+ 0 0 50 -4,-2.5 4,-2.1 1,-0.2 3,-0.5 0.951 109.7 47.0 -53.7 -52.5 58.2 35.0 10.1 38 38 A A H 3X>S+ 0 0 0 -4,-2.6 4,-1.8 1,-0.2 5,-0.6 0.810 109.3 55.0 -63.0 -30.0 55.7 37.2 8.1 39 39 A L H 3<5S+ 0 0 0 -4,-1.6 16,-2.0 -5,-0.2 17,-0.4 0.796 107.6 50.2 -74.7 -24.4 52.9 35.9 10.3 40 40 A C H <<5S+ 0 0 0 -4,-1.6 -2,-0.2 -3,-0.5 -1,-0.2 0.904 116.7 40.1 -75.6 -40.0 54.8 37.0 13.4 41 41 A T H <5S- 0 0 42 -4,-2.1 -2,-0.2 128,-0.2 -3,-0.2 0.776 95.3-141.4 -78.0 -24.1 55.3 40.5 11.9 42 42 A G T ><5 + 0 0 17 -4,-1.8 3,-1.9 -5,-0.2 11,-0.2 0.586 51.6 144.7 74.2 8.5 51.8 40.8 10.4 43 43 A E T 3 < + 0 0 106 -5,-0.6 -4,-0.1 1,-0.3 11,-0.1 0.673 57.9 60.5 -63.8 -16.0 53.5 42.5 7.4 44 44 A N T 3 S- 0 0 86 -6,-0.5 -1,-0.3 9,-0.4 10,-0.1 0.354 90.2-159.2 -95.2 11.4 51.2 41.1 4.7 45 45 A G < + 0 0 33 -3,-1.9 8,-3.3 8,-0.2 2,-0.3 -0.252 51.5 20.6 61.8-133.5 48.1 42.6 6.2 46 46 A I B S-I 52 0B 114 6,-0.3 2,-0.1 1,-0.1 5,-0.0 -0.559 72.1-146.6 -82.9 131.6 44.6 41.3 5.5 47 47 A G > - 0 0 12 4,-2.9 3,-2.1 -2,-0.3 -1,-0.1 -0.246 34.5 -94.6 -88.8 176.6 44.3 37.7 4.1 48 48 A K T 3 S+ 0 0 185 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.767 124.9 66.6 -60.3 -24.1 41.8 36.1 1.7 49 49 A S T 3 S- 0 0 46 2,-0.3 -1,-0.3 1,-0.1 -3,-0.0 0.575 115.3-118.0 -67.0 -17.7 39.9 35.2 4.9 50 50 A G S < S+ 0 0 53 -3,-2.1 -2,-0.1 1,-0.4 -1,-0.1 0.390 84.7 106.4 84.0 -1.1 39.3 38.8 5.5 51 51 A K S S- 0 0 98 1,-0.1 -4,-2.9 -6,-0.0 -1,-0.4 -0.750 82.8 -87.1-105.8 153.4 41.3 38.5 8.7 52 52 A P B -I 46 0B 68 0, 0.0 2,-1.9 0, 0.0 -6,-0.3 -0.305 29.6-127.9 -59.8 137.0 44.8 39.7 9.5 53 53 A L S S+ 0 0 8 -8,-3.3 -9,-0.4 -11,-0.2 2,-0.3 -0.615 75.6 113.0 -81.7 75.0 47.6 37.4 8.5 54 54 A H - 0 0 48 -2,-1.9 -14,-0.2 2,-0.1 -15,-0.1 -0.982 65.7-147.6-156.1 131.1 49.0 37.7 12.0 55 55 A F > + 0 0 0 -16,-2.0 3,-2.6 -2,-0.3 110,-0.3 0.691 65.4 117.1 -74.8 -19.2 49.4 35.5 15.0 56 56 A K T 3 S+ 0 0 108 -17,-0.4 110,-0.2 1,-0.3 -2,-0.1 -0.257 83.9 11.7 -60.5 125.1 48.8 38.4 17.4 57 57 A G T 3 S+ 0 0 41 108,-3.8 -1,-0.3 1,-0.3 109,-0.1 0.435 100.8 119.7 89.9 -2.3 45.6 37.7 19.5 58 58 A S < - 0 0 10 -3,-2.6 107,-2.8 107,-0.4 -1,-0.3 -0.446 50.6-137.8 -89.4 172.8 45.3 34.1 18.4 59 59 A K B -D 164 0A 78 105,-0.2 2,-1.2 14,-0.2 13,-0.6 -0.793 23.4-103.0-126.8 166.6 45.3 31.1 20.9 60 60 A F + 0 0 2 103,-2.6 103,-0.3 -2,-0.3 11,-0.3 -0.762 42.8 177.1 -84.1 94.1 46.7 27.7 21.4 61 61 A H + 0 0 32 -2,-1.2 2,-0.4 9,-0.3 -1,-0.2 0.638 65.1 42.7 -80.5 -14.2 43.4 25.9 20.6 62 62 A R E +E 70 0A 76 8,-1.6 8,-2.9 96,-0.1 2,-0.4 -0.967 65.5 168.0-138.7 117.2 44.7 22.4 20.9 63 63 A I E -E 69 0A 0 94,-2.7 91,-1.8 -2,-0.4 94,-0.4 -0.979 9.4-172.7-137.3 119.2 47.0 21.4 23.8 64 64 A I E >> -E 68 0A 24 4,-2.7 3,-1.1 -2,-0.4 4,-0.9 -0.935 27.1-118.5-123.4 120.2 48.0 17.8 24.7 65 65 A P T 34 S+ 0 0 40 0, 0.0 86,-0.1 0, 0.0 4,-0.0 -0.243 96.6 7.6 -59.2 136.3 50.0 16.8 27.8 66 66 A N T 34 S+ 0 0 119 1,-0.1 56,-0.0 57,-0.0 58,-0.0 0.816 129.3 58.2 63.6 37.0 53.3 15.1 27.1 67 67 A F T <4 S- 0 0 29 -3,-1.1 56,-2.6 54,-0.1 57,-1.0 0.196 101.6 -51.6-150.1 -84.9 53.0 15.8 23.3 68 68 A M E < -EF 64 122A 0 -4,-0.9 -4,-2.7 54,-0.3 2,-0.4 -0.989 29.8-118.6-164.7 165.1 52.7 19.3 22.0 69 69 A I E -EF 63 121A 0 52,-2.4 52,-2.4 -2,-0.3 2,-0.4 -0.960 34.7-159.9-112.8 134.2 51.0 22.7 22.1 70 70 A Q E +EF 62 120A 6 -8,-2.9 -8,-1.6 -2,-0.4 -9,-0.3 -0.946 22.2 135.7-126.6 137.5 49.2 23.8 18.9 71 71 A G E + F 0 119A 0 48,-2.2 48,-1.9 -2,-0.4 -11,-0.2 -0.718 22.1 107.8-148.6-163.1 48.1 27.1 17.5 72 72 A G + 0 0 0 -13,-0.6 2,-1.6 46,-0.2 11,-0.3 0.468 43.8 129.6 97.8 0.3 47.9 29.4 14.4 73 73 A D > + 0 0 6 -14,-0.4 4,-0.7 1,-0.2 -14,-0.2 -0.598 18.3 155.2 -86.5 79.7 44.2 29.2 13.6 74 74 A F T 4 + 0 0 25 -2,-1.6 -1,-0.2 1,-0.2 -20,-0.1 0.336 68.3 51.3 -88.9 10.2 43.5 32.9 13.4 75 75 A T T 4 S+ 0 0 15 -3,-0.1 -1,-0.2 -24,-0.1 -2,-0.1 0.742 131.3 5.9-109.7 -37.7 40.5 32.5 11.1 76 76 A R T 4 S- 0 0 153 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.651 80.9-144.6-115.8 -26.8 38.3 29.9 12.9 77 77 A G S < S+ 0 0 40 -4,-0.7 -3,-0.1 1,-0.1 -4,-0.1 0.625 80.6 80.8 73.1 15.4 40.2 29.5 16.2 78 78 A N S S- 0 0 90 -7,-0.0 -1,-0.1 -16,-0.0 -4,-0.1 0.312 112.2 -90.2-136.4 8.3 39.4 25.8 16.4 79 79 A G S S+ 0 0 30 -6,-0.1 39,-0.1 -17,-0.0 -8,-0.0 0.302 111.7 88.9 97.0 -14.0 41.8 23.9 14.2 80 80 A T S S+ 0 0 104 -7,-0.1 2,-0.1 0, 0.0 -7,-0.0 0.605 86.8 46.1 -94.1 -5.9 39.5 24.2 11.1 81 81 A G + 0 0 17 2,-0.0 36,-0.3 -8,-0.0 37,-0.2 -0.050 51.8 119.1-114.2-151.3 41.0 27.5 9.9 82 82 A G - 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