==== 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 2IGV . 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) . 7758.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 110 63.2 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 . 52 29.9 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 . 2 1.1 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 . 4 0 3 2 0 0 0 2 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 0 167 0, 0.0 2,-0.2 0, 0.0 26,-0.1 0.000 360.0 360.0 360.0 117.5 71.2 34.4 5.0 2 2 A S - 0 0 95 1,-0.1 2,-0.1 24,-0.1 24,-0.0 -0.527 360.0 -99.0 -92.3 154.2 70.5 34.2 8.7 3 3 A R - 0 0 68 -2,-0.2 2,-0.2 1,-0.1 22,-0.1 -0.441 42.1-115.1 -64.6 141.3 67.8 32.2 10.5 4 4 A S - 0 0 11 20,-0.2 20,-3.3 -2,-0.1 2,-0.4 -0.561 20.7-150.8 -75.7 145.8 64.8 34.3 11.6 5 5 A K E +AB 23 171A 36 166,-0.5 166,-2.7 18,-0.2 2,-0.3 -0.985 21.6 171.1-115.9 127.6 63.9 34.8 15.2 6 6 A V E -AB 22 170A 0 16,-2.8 16,-3.4 -2,-0.4 2,-0.3 -0.881 11.6-154.9-131.3 164.9 60.3 35.3 16.2 7 7 A F E -AB 21 169A 19 162,-2.2 162,-1.5 -2,-0.3 2,-0.4 -0.972 12.5-155.3-139.3 157.8 58.4 35.5 19.4 8 8 A F E -AB 20 168A 0 12,-2.2 12,-3.4 -2,-0.3 2,-0.6 -0.997 11.7-152.0-122.0 131.5 55.0 35.0 21.1 9 9 A D E -AB 19 167A 38 158,-2.5 157,-1.8 -2,-0.4 158,-1.4 -0.928 29.0-151.6 -93.7 122.7 54.0 36.8 24.3 10 10 A I E -AB 18 165A 3 8,-2.7 7,-2.9 -2,-0.6 8,-0.6 -0.746 18.2-167.5-104.1 142.1 51.5 34.4 25.9 11 11 A T E -AB 16 164A 27 153,-2.1 153,-2.1 -2,-0.3 2,-0.5 -0.954 5.6-160.3-118.8 147.0 48.6 35.0 28.2 12 12 A I E > S-AB 15 163A 20 3,-2.6 3,-2.2 -2,-0.4 151,-0.2 -0.984 81.9 -16.0-126.9 117.1 46.8 32.2 30.2 13 13 A G T 3 S- 0 0 52 149,-2.5 -1,-0.1 -2,-0.5 150,-0.1 0.815 131.9 -52.8 57.0 33.0 43.3 33.1 31.4 14 14 A G T 3 S+ 0 0 66 148,-0.5 2,-0.4 1,-0.3 -1,-0.3 0.305 113.1 122.5 91.4 -15.4 44.2 36.7 30.8 15 15 A K E < S-A 12 0A 138 -3,-2.2 -3,-2.6 1,-0.1 -1,-0.3 -0.689 70.6-109.5 -92.1 135.9 47.4 36.6 32.8 16 16 A A E +A 11 0A 68 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.359 38.7 174.3 -57.1 123.8 50.9 37.4 31.4 17 17 A S E - 0 0 37 -7,-2.9 -6,-0.2 1,-0.4 2,-0.2 0.428 42.1-101.0-119.6 1.7 52.8 34.1 31.2 18 18 A G E -A 10 0A 38 -8,-0.6 -8,-2.7 2,-0.0 2,-0.4 -0.503 43.0 -55.2 109.1-177.7 56.0 35.1 29.5 19 19 A R E -A 9 0A 100 -10,-0.2 2,-0.5 -2,-0.2 -10,-0.2 -0.870 27.1-155.3-114.2 134.5 57.7 34.9 26.1 20 20 A I E -A 8 0A 0 -12,-3.4 -12,-2.2 -2,-0.4 2,-0.5 -0.923 15.4-163.2 -98.3 125.9 58.4 32.1 23.7 21 21 A V E -AC 7 141A 2 120,-3.0 119,-3.1 -2,-0.5 120,-1.6 -0.923 8.2-169.3-112.6 132.3 61.3 32.8 21.4 22 22 A M E -AC 6 139A 0 -16,-3.4 -16,-2.8 -2,-0.5 2,-0.5 -0.966 16.2-148.8-125.4 137.5 61.7 30.6 18.3 23 23 A E E -AC 5 138A 31 115,-2.6 115,-2.0 -2,-0.4 2,-0.3 -0.879 20.6-147.8 -97.2 132.1 64.4 30.2 15.7 24 24 A L E - C 0 137A 0 -20,-3.3 2,-1.2 -2,-0.5 113,-0.3 -0.771 15.2-126.3-101.5 151.6 63.2 29.3 12.2 25 25 A Y >> + 0 0 19 111,-2.6 4,-2.9 -2,-0.3 3,-1.2 -0.543 42.5 158.7 -95.2 66.4 65.2 27.2 9.7 26 26 A D T 34 S+ 0 0 19 -2,-1.2 -1,-0.2 1,-0.3 8,-0.1 0.767 73.3 56.8 -59.6 -31.3 65.2 29.6 6.8 27 27 A D T 34 S+ 0 0 86 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.769 116.0 32.7 -72.1 -30.2 68.1 27.8 5.4 28 28 A V T <4 S+ 0 0 27 -3,-1.2 -2,-0.2 1,-0.2 -1,-0.1 0.820 137.0 15.5 -96.5 -39.8 66.4 24.4 5.3 29 29 A V X + 0 0 0 -4,-2.9 4,-3.0 107,-0.1 5,-0.4 -0.597 68.0 168.4-135.9 69.6 62.8 25.2 4.6 30 30 A P H > S+ 0 0 75 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.872 76.8 49.1 -57.0 -36.7 62.7 28.9 3.3 31 31 A K H > S+ 0 0 85 2,-0.2 4,-2.0 1,-0.2 5,-0.1 0.912 115.7 41.9 -72.9 -38.5 59.1 28.8 2.1 32 32 A T H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.938 117.3 47.1 -73.8 -48.8 57.7 27.3 5.3 33 33 A A H X S+ 0 0 0 -4,-3.0 4,-2.9 -8,-0.2 5,-0.2 0.896 111.4 53.2 -54.9 -43.7 59.8 29.5 7.6 34 34 A G H X S+ 0 0 16 -4,-2.4 4,-2.6 -5,-0.4 -2,-0.2 0.907 106.5 51.9 -62.5 -40.9 58.9 32.5 5.5 35 35 A N H X S+ 0 0 1 -4,-2.0 4,-1.7 1,-0.2 -1,-0.2 0.974 113.4 43.7 -56.1 -57.1 55.1 31.8 5.9 36 36 A F H X S+ 0 0 1 -4,-2.2 4,-1.6 1,-0.2 -2,-0.2 0.912 111.9 53.6 -60.0 -41.8 55.5 31.5 9.7 37 37 A R H >X S+ 0 0 49 -4,-2.9 4,-2.0 1,-0.2 3,-0.5 0.950 110.4 46.1 -57.7 -50.4 57.7 34.6 9.9 38 38 A A H 3X>S+ 0 0 0 -4,-2.6 4,-2.1 1,-0.2 5,-0.6 0.799 108.8 56.2 -63.1 -27.9 55.2 36.8 8.0 39 39 A L H 3<5S+ 0 0 0 -4,-1.7 16,-2.3 -5,-0.2 17,-0.4 0.784 107.1 50.9 -75.4 -26.6 52.3 35.4 10.1 40 40 A C H <<5S+ 0 0 0 -4,-1.6 -2,-0.2 -3,-0.5 -1,-0.2 0.861 117.2 37.8 -75.5 -39.4 54.2 36.6 13.2 41 41 A T H <5S- 0 0 43 -4,-2.0 -2,-0.2 128,-0.2 -3,-0.2 0.826 95.0-140.9 -80.2 -26.4 54.8 40.1 11.8 42 42 A G T ><5 + 0 0 17 -4,-2.1 3,-1.7 11,-0.2 11,-0.2 0.613 51.6 145.0 77.3 14.9 51.3 40.4 10.2 43 43 A E T 3 < + 0 0 108 -5,-0.6 -4,-0.1 1,-0.3 11,-0.1 0.635 57.9 62.8 -68.9 -18.2 53.0 42.1 7.3 44 44 A N T 3 S- 0 0 84 -6,-0.5 -1,-0.3 9,-0.4 10,-0.1 0.270 91.3-155.4 -92.1 16.2 50.7 40.6 4.6 45 45 A G < + 0 0 35 -3,-1.7 8,-3.2 8,-0.2 2,-0.3 -0.214 52.1 13.1 67.4-137.9 47.6 42.3 6.0 46 46 A I B S-I 52 0B 111 6,-0.2 2,-0.0 1,-0.1 5,-0.0 -0.694 72.0-145.8 -87.6 133.1 44.2 40.8 5.4 47 47 A G > - 0 0 11 4,-3.2 3,-1.9 -2,-0.3 -1,-0.1 -0.148 35.6 -89.8 -88.4-178.3 43.8 37.3 4.0 48 48 A K T 3 S+ 0 0 195 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.786 125.8 65.8 -58.0 -29.2 41.3 35.7 1.7 49 49 A S T 3 S- 0 0 55 2,-0.2 -1,-0.3 1,-0.1 -3,-0.0 0.653 115.0-117.8 -66.1 -18.3 39.4 34.8 4.8 50 50 A G S < S+ 0 0 52 -3,-1.9 -2,-0.1 1,-0.4 -1,-0.1 0.391 84.4 105.7 85.4 2.1 38.9 38.6 5.4 51 51 A K S S- 0 0 102 1,-0.1 -4,-3.2 -6,-0.0 -1,-0.4 -0.749 82.8 -83.7-108.0 156.4 40.8 38.2 8.6 52 52 A P B -I 46 0B 71 0, 0.0 2,-1.9 0, 0.0 -6,-0.2 -0.295 29.0-129.5 -58.9 138.9 44.4 39.3 9.4 53 53 A L S S+ 0 0 8 -8,-3.2 -9,-0.4 -11,-0.2 2,-0.3 -0.600 75.0 111.8 -82.5 76.3 47.2 37.0 8.4 54 54 A H - 0 0 44 -2,-1.9 -14,-0.2 2,-0.1 -15,-0.1 -0.972 66.7-147.0-159.7 131.2 48.5 37.3 11.9 55 55 A F > + 0 0 0 -16,-2.3 3,-2.5 -2,-0.3 110,-0.3 0.685 66.0 117.5 -77.3 -16.2 48.9 35.1 15.0 56 56 A K T 3 S+ 0 0 106 -17,-0.4 110,-0.2 1,-0.3 -2,-0.1 -0.230 84.4 10.4 -57.2 128.3 48.3 38.1 17.3 57 57 A G T 3 S+ 0 0 36 108,-3.4 -1,-0.3 1,-0.3 109,-0.1 0.430 100.7 123.4 80.3 -0.6 45.2 37.5 19.4 58 58 A S < - 0 0 9 -3,-2.5 107,-3.2 107,-0.4 -1,-0.3 -0.466 51.6-132.8 -85.9 166.8 44.8 33.8 18.3 59 59 A K B -D 164 0A 89 14,-0.3 2,-1.1 105,-0.2 13,-0.5 -0.717 21.1-107.7-113.6 161.7 44.7 30.9 20.7 60 60 A F - 0 0 2 103,-2.7 103,-0.3 -2,-0.2 11,-0.3 -0.785 42.4-177.7 -82.9 102.0 46.3 27.5 21.2 61 61 A H + 0 0 30 -2,-1.1 2,-0.4 9,-0.6 -1,-0.2 0.667 63.6 39.2 -83.2 -14.8 43.1 25.6 20.3 62 62 A R E +E 70 0A 77 8,-1.5 8,-2.4 96,-0.1 2,-0.4 -0.977 64.4 171.3-140.4 117.4 44.3 22.1 20.8 63 63 A I E -E 69 0A 0 94,-2.6 91,-1.8 -2,-0.4 94,-0.4 -0.985 7.3-173.8-135.6 118.4 46.6 21.1 23.7 64 64 A I E >> -E 68 0A 25 4,-2.6 3,-1.3 -2,-0.4 4,-1.1 -0.954 26.8-121.2-120.0 120.3 47.5 17.5 24.6 65 65 A P T 34 S+ 0 0 40 0, 0.0 86,-0.1 0, 0.0 89,-0.0 -0.222 95.8 12.4 -58.6 143.5 49.6 16.7 27.7 66 66 A N T 34 S+ 0 0 122 1,-0.1 56,-0.0 57,-0.1 58,-0.0 0.805 129.6 56.2 61.3 32.2 52.8 14.9 27.1 67 67 A F T <4 S- 0 0 28 -3,-1.3 56,-2.6 1,-0.1 57,-0.9 0.311 101.0 -50.1-148.9 -80.4 52.6 15.6 23.3 68 68 A M E < -EF 64 122A 0 -4,-1.1 -4,-2.6 54,-0.3 2,-0.4 -0.987 29.9-120.8-165.0 166.7 52.2 19.1 21.9 69 69 A I E -EF 63 121A 0 52,-2.3 52,-2.7 -2,-0.3 2,-0.4 -0.969 32.8-162.9-118.2 137.8 50.5 22.5 21.9 70 70 A Q E +EF 62 120A 6 -8,-2.4 -8,-1.5 -2,-0.4 -9,-0.6 -0.970 21.4 135.1-132.6 136.4 48.8 23.6 18.7 71 71 A G E + F 0 119A 0 48,-2.2 48,-1.8 -2,-0.4 -11,-0.2 -0.666 21.9 111.4-149.4-155.9 47.6 26.9 17.4 72 72 A G + 0 0 0 -13,-0.5 2,-1.6 46,-0.3 11,-0.4 0.401 44.2 128.3 90.7 4.2 47.5 29.2 14.3 73 73 A D > + 0 0 4 -14,-0.5 4,-1.2 1,-0.2 -14,-0.3 -0.609 20.1 155.2 -89.5 81.9 43.8 28.9 13.5 74 74 A F T 4 + 0 0 25 -2,-1.6 -1,-0.2 1,-0.2 -20,-0.1 0.353 65.7 55.3 -90.8 8.6 43.1 32.6 13.3 75 75 A T T 4 S+ 0 0 24 -3,-0.1 -1,-0.2 -24,-0.1 -2,-0.1 0.785 130.5 3.3-103.5 -39.7 40.1 32.3 11.0 76 76 A R T 4 S- 0 0 172 0, 0.0 -2,-0.2 0, 0.0 -3,-0.1 0.500 81.6-138.8-122.0 -10.4 37.9 29.9 13.0 77 77 A G S < S+ 0 0 40 -4,-1.2 -3,-0.1 1,-0.1 -4,-0.0 0.660 83.3 80.6 63.0 20.4 39.8 29.3 16.3 78 78 A N S S- 0 0 95 -7,-0.0 -1,-0.1 -16,-0.0 -4,-0.1 0.348 109.4 -92.2-144.0 8.5 39.0 25.6 16.4 79 79 A G S S+ 0 0 30 -6,-0.1 39,-0.1 -17,-0.0 -2,-0.0 0.303 108.2 90.6 99.6 -14.3 41.3 23.8 14.1 80 80 A T S S+ 0 0 101 -7,-0.1 2,-0.0 -4,-0.0 -3,-0.0 0.656 86.7 49.7 -87.2 -14.5 39.1 23.9 11.0 81 81 A G + 0 0 18 -8,-0.1 36,-0.3 2,-0.0 37,-0.2 0.045 50.8 116.8-109.2-148.9 40.6 27.2 9.8 82 82 A G - 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0 0 59 -2,-0.6 2,-0.3 1,-0.3 -1,-0.2 0.950 58.7 -47.2 -66.5 -52.7 58.5 21.7 1.3 94 94 A N - 0 0 31 -3,-0.1 -1,-0.3 -65,-0.1 3,-0.1 -0.944 35.4-129.7-168.5 171.8 60.7 18.9 2.6 95 95 A F + 0 0 65 -2,-0.3 36,-0.1 39,-0.1 38,-0.1 -0.173 63.5 123.7-119.9 35.2 61.1 16.5 5.6 96 96 A K + 0 0 144 -68,-0.1 2,-0.2 39,-0.1 -1,-0.1 0.898 62.0 63.8 -65.3 -46.2 64.8 17.2 6.3 97 97 A E S S- 0 0 61 38,-0.4 38,-0.6 -3,-0.1 34,-0.3 -0.590 77.4-147.6 -84.8 145.3 64.3 18.2 9.9 98 98 A K - 0 0 89 -2,-0.2 2,-1.5 32,-0.1 3,-0.1 -0.715 24.8-106.8-112.4 163.0 63.0 15.7 12.4 99 99 A H + 0 0 1 -2,-0.2 27,-0.5 27,-0.2 31,-0.1 -0.696 54.0 157.5 -84.5 86.1 60.9 15.7 15.6 100 100 A T - 0 0 105 -2,-1.5 25,-0.2 25,-0.2 -1,-0.2 0.477 53.8 -43.2 -97.2 -7.5 63.8 15.1 18.0 101 101 A G S > S- 0 0 10 23,-0.4 3,-1.4 -3,-0.1 23,-0.3 -0.991 85.9 -23.8 170.7-173.2 62.5 16.4 21.3 102 102 A P T 3 S+ 0 0 77 0, 0.0 21,-0.2 0, 0.0 23,-0.1 -0.314 115.4 35.8 -57.1 142.5 60.7 19.2 23.2 103 103 A G T 3 S+ 0 0 6 19,-3.0 36,-2.1 1,-0.3 2,-0.2 0.293 76.0 143.9 95.2 -7.9 60.7 22.6 21.6 104 104 A V E < -G 138 0A 11 -3,-1.4 18,-2.8 34,-0.2 2,-0.5 -0.483 39.5-148.7 -64.7 132.3 60.4 21.4 18.0 105 105 A L E +GH 137 121A 0 32,-2.2 31,-2.2 16,-0.2 32,-1.3 -0.923 28.7 162.0-106.7 123.8 58.2 23.7 15.9 106 106 A S E -GH 135 120A 0 14,-2.3 14,-2.7 -2,-0.5 2,-0.4 -0.950 39.0 -96.2-147.3 157.1 56.3 21.9 13.1 107 107 A M E - 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