==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 24-SEP-04 1W8M . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR G.KONTOPIDIS,P.TAYLOR,M.WALKINSHAW . 165 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7708.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 105 63.6 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 . 45 27.3 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 1.2 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 . 1 0.6 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 . 12 7.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 19 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 . 2 0 4 1 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 0 200 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-166.7 15.4 35.1 73.3 2 2 A V - 0 0 95 2,-0.0 24,-0.0 0, 0.0 0, 0.0 -0.424 360.0 -57.1 113.3 152.3 11.7 36.1 73.3 3 3 A N - 0 0 17 -2,-0.2 22,-0.1 1,-0.1 2,-0.1 -0.485 68.0-118.8 -63.9 135.9 10.6 39.2 71.3 4 4 A P - 0 0 16 0, 0.0 20,-2.6 0, 0.0 2,-0.4 -0.338 16.5-138.4 -76.3 161.1 12.6 42.2 72.5 5 5 A T E -A 23 0A 17 18,-0.2 159,-2.5 -2,-0.1 160,-1.4 -0.982 19.3-176.1-121.1 131.0 11.2 45.4 74.1 6 6 A V E -AB 22 163A 0 16,-1.9 16,-2.9 -2,-0.4 2,-0.3 -0.829 7.9-152.6-121.2 154.6 12.5 48.9 73.4 7 7 A F E -AB 21 162A 20 155,-2.6 155,-2.0 -2,-0.3 2,-0.4 -0.959 7.0-162.5-127.0 154.4 11.5 52.3 74.8 8 8 A F E -AB 20 161A 1 12,-2.5 12,-2.7 -2,-0.3 2,-0.6 -0.999 11.9-149.3-125.3 133.2 11.5 55.9 73.7 9 9 A D E -AB 19 160A 38 151,-3.1 150,-2.0 -2,-0.4 151,-1.2 -0.926 24.9-152.8 -96.2 121.9 11.3 58.9 76.1 10 10 A I E -AB 18 158A 4 8,-3.0 7,-2.9 -2,-0.6 8,-1.1 -0.734 14.3-175.2-101.9 142.2 9.5 61.6 74.2 11 11 A A E -AB 16 157A 3 146,-2.3 146,-2.0 -2,-0.3 2,-0.5 -0.908 19.9-141.7-133.0 164.3 9.8 65.4 74.7 12 12 A V E > S-AB 15 156A 15 3,-2.4 3,-2.3 -2,-0.3 144,-0.2 -0.975 91.0 -22.2-131.4 110.7 8.1 68.5 73.3 13 13 A D T 3 S- 0 0 98 142,-2.7 -1,-0.1 -2,-0.5 143,-0.1 0.883 130.3 -53.5 41.2 44.2 10.5 71.4 72.7 14 14 A G T 3 S+ 0 0 56 141,-0.4 -1,-0.3 1,-0.3 142,-0.1 0.184 111.4 124.3 84.7 -16.0 12.6 69.5 75.2 15 15 A E E < -A 12 0A 141 -3,-2.3 -3,-2.4 1,-0.1 -1,-0.3 -0.649 69.8-111.2 -78.5 125.6 9.9 69.3 77.9 16 16 A P E +A 11 0A 96 0, 0.0 -5,-0.3 0, 0.0 -1,-0.1 -0.329 38.3 173.5 -61.8 135.1 9.4 65.6 78.9 17 17 A L E - 0 0 57 -7,-2.9 2,-0.3 1,-0.3 -6,-0.2 0.829 48.4 -93.2-100.0 -63.8 6.1 64.1 77.8 18 18 A G E -A 10 0A 23 -8,-1.1 -8,-3.0 120,-0.1 2,-0.4 -0.987 39.7 -56.2 166.4-170.7 6.7 60.4 78.7 19 19 A R E -A 9 0A 124 -2,-0.3 2,-0.4 -10,-0.2 119,-0.2 -0.798 29.3-170.4-104.1 133.2 7.7 56.9 77.8 20 20 A V E -A 8 0A 1 -12,-2.7 -12,-2.5 -2,-0.4 2,-0.3 -0.983 11.0-163.5-115.0 132.0 6.5 54.7 75.1 21 21 A S E -A 7 0A 5 113,-2.5 112,-2.9 -2,-0.4 2,-0.4 -0.873 4.2-161.1-115.5 152.4 7.6 51.0 75.0 22 22 A F E -AC 6 132A 0 -16,-2.9 -16,-1.9 -2,-0.3 2,-0.4 -0.986 16.8-141.4-132.5 141.1 7.3 48.6 72.1 23 23 A E E -AC 5 131A 50 108,-2.8 108,-2.1 -2,-0.4 2,-0.5 -0.859 23.9-147.7 -93.4 133.8 7.4 44.9 71.5 24 24 A L E - C 0 130A 0 -20,-2.6 2,-2.2 -2,-0.4 106,-0.3 -0.928 11.2-133.4-108.4 126.3 9.3 44.0 68.3 25 25 A F >> + 0 0 31 104,-2.6 4,-3.0 -2,-0.5 3,-1.6 -0.376 43.6 154.1 -80.6 64.9 8.1 41.0 66.4 26 26 A A T 34 + 0 0 30 -2,-2.2 -1,-0.2 1,-0.3 8,-0.1 0.754 68.7 67.2 -63.1 -21.2 11.5 39.4 65.8 27 27 A D T 34 S+ 0 0 98 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.752 116.7 22.6 -71.2 -24.0 9.6 36.1 65.6 28 28 A K T <4 S+ 0 0 99 -3,-1.6 -2,-0.2 1,-0.1 -1,-0.1 0.722 140.3 21.5-112.1 -32.7 8.0 37.2 62.4 29 29 A V X + 0 0 0 -4,-3.0 4,-2.7 100,-0.1 5,-0.3 -0.605 67.6 164.8-134.3 70.1 10.2 39.9 60.9 30 30 A P H > S+ 0 0 69 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.849 74.9 50.0 -61.9 -38.4 13.7 39.3 62.5 31 31 A K H > S+ 0 0 60 2,-0.2 4,-1.6 1,-0.2 -5,-0.1 0.914 116.0 42.3 -67.9 -42.4 15.7 41.5 60.1 32 32 A T H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.890 114.6 49.8 -70.2 -42.7 13.3 44.5 60.5 33 33 A A H X S+ 0 0 1 -4,-2.7 4,-2.6 1,-0.2 -2,-0.2 0.925 109.8 52.1 -62.0 -43.8 12.9 44.1 64.3 34 34 A E H X S+ 0 0 69 -4,-2.2 4,-2.7 -5,-0.3 5,-0.3 0.883 105.7 54.5 -63.8 -39.7 16.7 43.9 64.7 35 35 A N H X S+ 0 0 0 -4,-1.6 4,-2.3 2,-0.2 -1,-0.2 0.950 113.2 41.9 -53.6 -53.2 17.2 47.1 62.7 36 36 A F H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.899 113.8 53.1 -66.7 -39.0 14.9 49.1 64.9 37 37 A R H X S+ 0 0 29 -4,-2.6 4,-1.5 2,-0.2 -2,-0.2 0.948 112.6 43.2 -59.3 -50.8 16.2 47.5 68.1 38 38 A A H X>S+ 0 0 1 -4,-2.7 4,-1.5 1,-0.2 5,-0.7 0.846 112.6 52.4 -69.2 -34.4 19.8 48.4 67.3 39 39 A L H <5S+ 0 0 1 -4,-2.3 9,-2.0 -5,-0.3 10,-0.5 0.820 108.0 53.6 -69.1 -26.4 18.9 51.9 66.1 40 40 A S H <5S+ 0 0 1 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.810 113.7 40.3 -78.2 -31.3 17.1 52.3 69.5 41 41 A T H <5S- 0 0 51 -4,-1.5 -2,-0.2 121,-0.2 -1,-0.2 0.692 99.5-135.9 -83.3 -19.9 20.2 51.3 71.5 42 42 A G T ><5 + 0 0 29 -4,-1.5 3,-2.5 -5,-0.2 -3,-0.2 0.585 54.0 145.3 73.0 13.7 22.6 53.2 69.3 43 43 A E T 3 < + 0 0 101 -5,-0.7 -4,-0.1 1,-0.3 4,-0.1 0.695 65.0 56.1 -60.2 -23.2 25.0 50.3 69.3 44 44 A K T 3 S- 0 0 106 2,-0.5 -1,-0.3 -6,-0.4 3,-0.1 0.490 124.7 -99.4 -84.7 -2.8 26.2 50.9 65.7 45 45 A G S < S+ 0 0 72 -3,-2.5 2,-0.3 1,-0.3 -2,-0.2 0.531 100.8 60.2 93.2 8.6 27.2 54.5 66.6 46 46 A F + 0 0 58 -4,-0.1 -2,-0.5 32,-0.0 2,-0.3 -0.960 60.3 110.4-152.8 164.1 24.0 56.0 65.1 47 47 A G - 0 0 12 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.995 68.6 -38.6 157.9-161.1 20.3 55.8 65.7 48 48 A Y S > S+ 0 0 0 -9,-2.0 3,-2.6 -2,-0.3 110,-0.3 0.678 81.8 112.3 -74.4 -24.7 17.1 57.3 67.0 49 49 A K T 3 S+ 0 0 141 -10,-0.5 -2,-0.2 1,-0.3 110,-0.2 -0.277 90.1 13.2 -56.9 128.3 18.3 59.2 70.1 50 50 A G T 3 S+ 0 0 46 108,-3.2 -1,-0.3 1,-0.3 109,-0.1 0.276 100.2 122.1 91.5 -11.6 17.9 62.9 69.4 51 51 A S < - 0 0 0 -3,-2.6 107,-2.8 107,-0.2 -1,-0.3 -0.341 52.9-126.9 -82.4 167.0 15.8 62.5 66.3 52 52 A C B -D 157 0A 15 14,-0.4 2,-0.9 105,-0.2 13,-0.8 -0.692 15.1-119.6-111.0 161.5 12.3 63.9 65.7 53 53 A F + 0 0 1 103,-2.8 103,-0.4 -2,-0.2 11,-0.3 -0.894 39.2 178.3 -92.9 100.0 8.8 62.8 64.7 54 54 A H + 0 0 36 -2,-0.9 2,-0.4 9,-0.3 98,-0.4 0.593 61.7 42.3 -84.5 -14.6 8.7 65.0 61.7 55 55 A R E +E 63 0A 99 8,-1.7 8,-3.2 96,-0.1 2,-0.5 -0.903 61.2 166.8-141.1 107.0 5.2 64.0 60.3 56 56 A I E -E 62 0A 0 94,-2.3 91,-2.2 -2,-0.4 94,-0.3 -0.989 8.9-175.3-127.3 119.9 2.3 63.5 62.7 57 57 A I E >> -E 61 0A 19 4,-2.9 3,-2.0 -2,-0.5 4,-1.2 -0.954 27.8-124.1-120.5 109.7 -1.2 63.2 61.2 58 58 A P T 34 S+ 0 0 60 0, 0.0 3,-0.0 0, 0.0 86,-0.0 -0.240 95.7 16.7 -55.5 137.4 -4.0 62.9 63.7 59 59 A G T 34 S+ 0 0 50 1,-0.2 56,-0.0 57,-0.1 84,-0.0 0.506 130.0 53.1 78.1 6.0 -6.2 59.9 63.3 60 60 A F T <4 S- 0 0 37 -3,-2.0 56,-2.5 1,-0.2 57,-0.8 0.469 103.7 -51.6-132.1 -81.1 -3.6 58.3 61.1 61 61 A M E < -EF 57 115A 3 -4,-1.2 -4,-2.9 54,-0.3 2,-0.5 -0.992 27.7-118.9-164.9 163.1 0.0 58.0 62.4 62 62 A C E -EF 56 114A 0 52,-2.3 52,-2.4 -2,-0.3 2,-0.4 -0.981 33.7-163.4-112.4 117.1 3.2 59.5 63.9 63 63 A Q E +EF 55 113A 21 -8,-3.2 -8,-1.7 -2,-0.5 -9,-0.3 -0.866 23.8 131.4-108.3 134.8 6.3 59.2 61.7 64 64 A G E + F 0 112A 0 48,-2.4 48,-1.9 -2,-0.4 -11,-0.2 -0.773 16.6 107.3-150.6-161.5 9.9 59.6 62.7 65 65 A G + 0 0 0 -13,-0.8 2,-1.3 46,-0.2 11,-0.2 0.481 38.6 132.7 97.1 0.4 13.4 58.1 62.6 66 66 A D + 0 0 2 -14,-0.5 4,-0.4 1,-0.2 -14,-0.4 -0.708 18.6 159.4 -82.7 92.7 15.2 60.3 60.2 67 67 A F + 0 0 25 -2,-1.3 -1,-0.2 2,-0.1 -20,-0.1 0.491 67.1 51.3 -94.6 -4.5 18.4 60.8 62.3 68 68 A T S S+ 0 0 44 -3,-0.1 -1,-0.1 -22,-0.0 -2,-0.1 0.872 128.3 11.8 -97.1 -46.6 20.6 61.9 59.4 69 69 A R S S- 0 0 159 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.552 84.1-145.3-106.6 -17.8 18.7 64.7 57.6 70 70 A H S S+ 0 0 102 -4,-0.4 -3,-0.1 1,-0.1 -17,-0.0 0.802 78.9 80.0 55.0 36.7 16.0 65.2 60.3 71 71 A N S S- 0 0 92 -19,-0.0 -1,-0.1 -7,-0.0 -4,-0.1 0.404 109.9 -89.0-147.1 -3.4 13.3 66.1 57.7 72 72 A G S S+ 0 0 27 -6,-0.1 39,-0.0 -17,-0.0 -2,-0.0 0.366 110.9 84.7 102.8 -3.8 11.9 62.9 56.2 73 73 A T S S+ 0 0 110 -7,-0.1 2,-0.1 0, 0.0 0, 0.0 0.354 89.2 51.4-102.5 3.0 14.4 62.5 53.3 74 74 A G + 0 0 16 2,-0.0 36,-0.3 35,-0.0 37,-0.3 -0.354 48.7 102.5-127.9-163.1 17.0 60.7 55.4 75 75 A G - 0 0 13 -9,-0.2 2,-0.3 -2,-0.1 -9,-0.1 -0.053 40.4-138.8 100.2 156.8 17.9 57.9 57.7 76 76 A K - 0 0 78 -11,-0.2 6,-0.2 33,-0.2 33,-0.2 -0.993 10.1-119.8-148.2 158.2 19.7 54.6 57.2 77 77 A S > - 0 0 1 4,-2.3 3,-0.6 -2,-0.3 33,-0.1 -0.266 31.7-110.0 -83.4 176.4 19.5 51.0 58.2 78 78 A I T 3 S+ 0 0 30 31,-0.2 -1,-0.1 1,-0.2 3,-0.1 0.370 112.3 68.5 -83.6 2.9 22.1 49.0 60.1 79 79 A Y T 3 S- 0 0 88 2,-0.2 2,-0.5 30,-0.1 -1,-0.2 0.050 124.5 -77.7-110.0 23.6 22.6 47.0 56.8 80 80 A G S < S- 0 0 51 -3,-0.6 3,-0.1 1,-0.2 -1,-0.0 -0.947 88.9 -36.7 118.5-112.4 24.1 49.7 54.7 81 81 A E S S+ 0 0 136 -2,-0.5 -4,-2.3 1,-0.5 2,-0.3 0.700 117.6 1.9-112.6 -71.1 21.6 52.3 53.4 82 82 A K - 0 0 117 -6,-0.2 -1,-0.5 -3,-0.2 2,-0.3 -0.783 61.6-160.2-118.3 160.5 18.3 50.6 52.5 83 83 A F B -I 108 0B 8 25,-2.0 25,-1.9 -2,-0.3 3,-0.1 -0.952 26.7 -87.1-139.0 162.9 16.9 47.0 52.7 84 84 A E - 0 0 84 -2,-0.3 2,-0.5 23,-0.2 3,-0.1 -0.149 47.2 -95.7 -61.8 152.1 14.2 44.9 51.2 85 85 A D - 0 0 24 1,-0.2 -1,-0.1 3,-0.0 3,-0.1 -0.625 37.9-153.0 -62.0 120.6 10.7 44.6 52.5 86 86 A E - 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