==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/IMMUNOSUPPRESSANT 06-SEP-95 1CWA . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.MIKOL,J.KALLEN,M.D.WALKINSHAW . 176 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7843.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 63.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 49 27.8 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 11.4 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 . 1 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 2 3 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 0 182 0, 0.0 2,-0.4 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 174.7 13.3 9.4 38.3 2 2 A V - 0 0 96 163,-0.1 3,-0.1 3,-0.0 24,-0.0 -0.990 360.0-111.8-140.1 135.1 11.5 12.4 39.6 3 3 A N - 0 0 25 -2,-0.4 22,-0.1 1,-0.1 162,-0.0 -0.536 42.2-106.1 -66.3 135.7 10.6 15.4 37.4 4 4 A P - 0 0 15 0, 0.0 20,-2.5 0, 0.0 2,-0.4 -0.297 25.5-149.4 -63.7 150.9 12.6 18.5 38.3 5 5 A T E -A 23 0A 4 18,-0.2 159,-2.7 -3,-0.1 160,-1.5 -0.996 18.0-177.5-121.0 132.5 10.9 21.4 40.2 6 6 A V E -AB 22 163A 0 16,-2.0 16,-2.7 -2,-0.4 2,-0.3 -0.820 7.5-154.0-127.0 159.9 12.2 24.9 39.5 7 7 A F E -AB 21 162A 22 155,-2.3 155,-1.4 -2,-0.3 2,-0.4 -0.946 8.2-161.7-136.7 159.6 11.2 28.3 41.1 8 8 A F E -AB 20 161A 0 12,-2.4 12,-2.6 -2,-0.3 2,-0.6 -0.990 12.0-148.6-133.5 138.9 11.2 31.9 40.1 9 9 A D E -AB 19 160A 36 151,-2.9 150,-2.1 -2,-0.4 151,-1.2 -0.951 24.5-150.9-103.5 123.2 11.0 34.8 42.7 10 10 A I E -AB 18 158A 2 8,-3.0 7,-3.1 -2,-0.6 8,-1.1 -0.738 12.7-168.8 -97.2 147.1 9.2 37.5 40.8 11 11 A A E -AB 16 157A 4 146,-2.2 146,-2.1 -2,-0.3 2,-0.5 -0.927 13.9-148.0-130.5 154.3 9.7 41.2 41.6 12 12 A V E > S-AB 15 156A 15 3,-2.7 3,-2.8 -2,-0.3 144,-0.2 -0.996 87.4 -21.4-124.9 114.1 7.7 44.2 40.3 13 13 A D T 3 S- 0 0 99 142,-2.8 -1,-0.1 -2,-0.5 143,-0.1 0.868 129.5 -51.8 44.0 43.9 9.9 47.3 40.0 14 14 A G T 3 S+ 0 0 62 141,-0.3 -1,-0.3 1,-0.2 142,-0.1 0.209 113.4 120.4 83.0 -15.2 12.3 45.6 42.3 15 15 A E E < S-A 12 0A 143 -3,-2.8 -3,-2.7 1,-0.1 -1,-0.2 -0.697 71.0-114.8 -79.5 128.0 9.7 45.0 45.0 16 16 A P E +A 11 0A 114 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.372 35.3 176.8 -64.0 138.9 9.4 41.2 45.8 17 17 A L E - 0 0 62 -7,-3.1 2,-0.3 1,-0.3 -6,-0.2 0.740 46.6 -83.9-108.3 -56.0 6.1 39.7 44.8 18 18 A G E -A 10 0A 22 -8,-1.1 -8,-3.0 120,-0.0 2,-0.4 -0.987 41.8 -66.8 165.7-177.4 6.4 36.0 45.5 19 19 A R E -A 9 0A 121 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.792 29.2-169.7-106.8 139.4 7.6 32.6 44.4 20 20 A V E -A 8 0A 1 -12,-2.6 -12,-2.4 -2,-0.4 2,-0.4 -0.995 10.7-163.3-124.8 131.5 6.2 30.5 41.6 21 21 A S E -AC 7 134A 12 113,-2.3 112,-2.7 -2,-0.4 113,-1.3 -0.908 2.7-157.5-117.2 155.9 7.4 27.0 41.3 22 22 A F E -AC 6 132A 0 -16,-2.7 -16,-2.0 -2,-0.4 2,-0.5 -0.952 14.9-142.8-134.5 137.8 7.1 24.7 38.3 23 23 A E E -AC 5 131A 52 108,-2.7 108,-2.1 -2,-0.4 2,-0.5 -0.897 24.1-149.8 -94.4 133.3 7.1 21.0 37.7 24 24 A L E - C 0 130A 0 -20,-2.5 2,-2.4 -2,-0.5 106,-0.3 -0.905 13.4-131.4-107.5 128.4 9.0 20.2 34.4 25 25 A F >> + 0 0 31 104,-2.6 4,-3.0 -2,-0.5 3,-2.3 -0.266 44.9 154.7 -80.5 64.4 7.8 17.2 32.5 26 26 A A T 34 + 0 0 13 -2,-2.4 -1,-0.2 1,-0.3 8,-0.1 0.735 68.3 64.1 -62.8 -25.2 11.2 15.6 31.9 27 27 A D T 34 S+ 0 0 87 -3,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.665 117.3 27.2 -72.1 -22.2 9.7 12.2 31.6 28 28 A K T <4 S+ 0 0 83 -3,-2.3 -2,-0.2 101,-0.1 -1,-0.1 0.666 137.9 21.5-110.6 -35.0 7.9 13.3 28.5 29 29 A V X + 0 0 0 -4,-3.0 4,-2.7 100,-0.1 5,-0.3 -0.492 69.0 167.3-132.4 70.5 10.0 16.1 27.0 30 30 A P H > S+ 0 0 71 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.850 75.7 46.9 -53.4 -43.1 13.6 15.5 28.5 31 31 A K H > S+ 0 0 53 1,-0.2 4,-2.2 2,-0.2 5,-0.1 0.906 116.1 43.6 -72.9 -37.3 15.5 17.9 26.2 32 32 A T H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.874 115.9 47.9 -73.5 -42.0 13.0 20.8 26.6 33 33 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 2,-0.2 5,-0.2 0.942 111.4 51.6 -60.0 -47.7 12.7 20.3 30.4 34 34 A E H X S+ 0 0 71 -4,-2.6 4,-2.6 -5,-0.3 5,-0.3 0.934 106.6 54.1 -59.5 -44.9 16.5 20.1 30.7 35 35 A N H X S+ 0 0 0 -4,-2.2 4,-1.8 1,-0.2 -1,-0.2 0.930 112.5 42.3 -54.2 -47.8 17.0 23.3 28.8 36 36 A F H X S+ 0 0 0 -4,-1.8 4,-1.6 2,-0.2 -2,-0.2 0.900 114.2 52.0 -69.9 -39.0 14.6 25.2 31.1 37 37 A R H X S+ 0 0 27 -4,-2.7 4,-2.1 2,-0.2 3,-0.4 0.962 111.6 45.0 -59.8 -53.3 16.1 23.6 34.3 38 38 A A H X>S+ 0 0 1 -4,-2.6 4,-1.2 1,-0.3 5,-0.8 0.874 112.5 52.1 -64.7 -33.6 19.7 24.5 33.4 39 39 A L H <5S+ 0 0 1 -4,-1.8 9,-2.4 -5,-0.3 10,-0.4 0.797 108.2 52.6 -73.0 -25.6 18.7 28.1 32.4 40 40 A S H <5S+ 0 0 2 -4,-1.6 -2,-0.2 -3,-0.4 -1,-0.2 0.853 112.8 42.1 -77.5 -35.6 17.0 28.4 35.8 41 41 A T H <5S- 0 0 52 -4,-2.1 -2,-0.2 121,-0.2 -1,-0.2 0.692 100.0-137.2 -79.3 -15.2 20.1 27.3 37.8 42 42 A G T ><5 + 0 0 30 -4,-1.2 3,-2.3 -5,-0.2 -3,-0.2 0.620 53.2 146.7 71.8 16.3 22.4 29.5 35.5 43 43 A E T 3 < + 0 0 98 -5,-0.8 -4,-0.1 1,-0.3 -1,-0.1 0.635 62.5 55.7 -68.6 -12.2 24.9 26.5 35.5 44 44 A K T 3 S- 0 0 113 2,-0.6 -1,-0.3 -6,-0.4 3,-0.1 0.412 125.8 -96.3 -95.0 1.0 26.1 27.1 31.9 45 45 A G S < S+ 0 0 73 -3,-2.3 2,-0.3 1,-0.3 -2,-0.2 0.447 102.4 60.2 99.8 1.6 27.1 30.7 32.7 46 46 A F + 0 0 57 -4,-0.1 -2,-0.6 32,-0.0 2,-0.3 -0.975 60.1 114.8-151.1 159.0 23.8 32.3 31.4 47 47 A G - 0 0 14 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.996 67.6 -46.8 169.2-158.9 20.1 32.0 32.3 48 48 A Y S > S+ 0 0 0 -9,-2.4 3,-2.7 -2,-0.3 110,-0.3 0.636 80.0 115.7 -82.2 -17.1 16.9 33.5 33.5 49 49 A K T 3 S+ 0 0 133 -10,-0.4 110,-0.2 1,-0.3 -2,-0.2 -0.341 90.7 10.5 -60.2 127.4 18.1 35.2 36.8 50 50 A G T 3 S+ 0 0 49 108,-3.1 -1,-0.3 1,-0.3 109,-0.1 0.343 101.5 122.7 86.8 -6.8 17.6 38.9 36.4 51 51 A S < - 0 0 1 -3,-2.7 107,-2.7 107,-0.2 -1,-0.3 -0.439 51.0-129.8 -89.8 167.8 15.5 38.7 33.1 52 52 A C B -D 157 0A 7 14,-0.3 2,-0.7 105,-0.2 13,-0.7 -0.629 16.2-114.7-114.5 168.9 12.0 40.1 32.6 53 53 A F E -E 64 0A 1 103,-2.0 103,-0.5 -2,-0.2 11,-0.3 -0.919 37.8-178.1 -94.6 108.4 8.5 39.1 31.4 54 54 A H E + 0 0 31 9,-0.9 2,-0.4 -2,-0.7 98,-0.3 0.668 63.4 36.9 -93.6 -13.6 8.5 41.4 28.4 55 55 A R E +E 63 0A 18 8,-1.3 8,-3.2 96,-0.1 2,-0.4 -0.981 61.0 168.9-144.5 117.0 5.0 40.7 27.1 56 56 A I E -E 62 0A 0 94,-2.3 91,-1.8 -2,-0.4 94,-0.3 -0.997 8.9-173.8-131.6 125.8 2.0 39.9 29.4 57 57 A I E >> -E 61 0A 14 4,-2.6 3,-2.1 -2,-0.4 4,-1.3 -0.965 29.5-123.9-123.8 106.9 -1.5 39.8 27.9 58 58 A P T 34 S+ 0 0 62 0, 0.0 82,-0.0 0, 0.0 92,-0.0 -0.269 96.8 18.6 -47.9 130.6 -4.3 39.4 30.7 59 59 A G T 34 S+ 0 0 51 1,-0.1 56,-0.0 57,-0.0 84,-0.0 0.303 127.5 54.3 85.1 -9.3 -6.5 36.4 30.0 60 60 A F T <4 S- 0 0 4 -3,-2.1 56,-2.4 1,-0.3 57,-0.7 0.716 105.3 -59.3-119.9 -74.0 -3.9 34.8 27.7 61 61 A M E < -EF 57 115A 0 -4,-1.3 -4,-2.6 54,-0.3 2,-0.4 -0.968 29.2-115.8-169.1 167.7 -0.3 34.3 29.0 62 62 A C E -EF 56 114A 0 52,-1.8 52,-2.5 -2,-0.3 2,-0.4 -0.969 34.3-158.4-113.8 129.4 2.9 35.9 30.5 63 63 A Q E +EF 55 113A 0 -8,-3.2 -8,-1.3 -2,-0.4 -9,-0.9 -0.935 25.4 133.6-117.0 138.7 6.0 35.6 28.2 64 64 A G E +EF 53 112A 0 48,-2.0 48,-2.2 -2,-0.4 -11,-0.2 -0.755 19.9 108.1-154.0-162.3 9.7 35.8 29.2 65 65 A G + 0 0 0 -13,-0.7 2,-1.9 46,-0.3 11,-0.3 0.355 43.2 127.9 98.8 -4.4 13.0 34.2 28.8 66 66 A D > + 0 0 1 -14,-0.4 4,-1.0 1,-0.2 -14,-0.3 -0.529 22.5 160.5 -83.3 84.2 14.8 36.8 26.6 67 67 A F T 4 + 0 0 30 -2,-1.9 -1,-0.2 2,-0.1 -20,-0.1 0.618 68.2 48.5 -80.3 -7.1 17.9 37.1 28.8 68 68 A T T 4 S+ 0 0 61 -3,-0.2 -1,-0.1 -17,-0.0 -2,-0.1 0.905 130.8 9.7 -98.3 -46.8 20.0 38.6 26.0 69 69 A R T 4 S- 0 0 144 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.627 81.3-146.4-104.8 -15.3 17.9 41.4 24.4 70 70 A H S < S+ 0 0 86 -4,-1.0 -3,-0.1 1,-0.1 -4,-0.1 0.648 79.6 82.7 59.0 20.3 15.0 41.5 26.9 71 71 A N S S- 0 0 84 -7,-0.0 102,-0.2 -16,-0.0 -1,-0.1 0.360 111.8 -89.0-133.9 6.1 12.5 42.4 24.2 72 72 A G S S+ 0 0 0 100,-0.1 102,-0.1 -6,-0.1 39,-0.1 0.244 109.1 88.4 100.6 -13.7 11.4 39.1 22.5 73 73 A T S S+ 0 0 78 99,-0.1 2,-0.1 100,-0.1 99,-0.1 0.593 86.1 37.3 -97.0 -5.7 14.2 39.0 19.9 74 74 A G + 0 0 12 2,-0.0 36,-0.3 -8,-0.0 37,-0.2 -0.343 54.4 101.4-124.1-152.2 17.0 37.1 21.8 75 75 A G - 0 0 9 -9,-0.2 2,-0.3 -2,-0.1 -9,-0.1 -0.254 44.1-147.9 92.4 171.2 17.9 34.4 24.3 76 76 A K - 0 0 78 -11,-0.3 5,-0.2 33,-0.1 6,-0.2 -0.975 14.5-102.6-166.1 159.7 19.2 31.0 23.3 77 77 A S - 0 0 1 3,-1.0 3,-0.4 4,-0.9 33,-0.1 -0.263 32.1-111.2 -79.9 176.7 19.1 27.4 24.4 78 78 A I S S+ 0 0 35 31,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.398 117.1 59.5 -82.5 -0.2 21.9 25.4 26.3 79 79 A Y S S- 0 0 94 1,-0.6 2,-0.3 30,-0.1 -1,-0.2 0.571 128.8 -66.9-104.7 -8.0 22.3 23.4 23.1 80 80 A G S S- 0 0 38 -3,-0.4 -3,-1.0 1,-0.1 -1,-0.6 -0.914 81.7 -47.0 141.0-166.9 23.2 26.3 20.8 81 81 A E S S+ 0 0 121 -2,-0.3 -4,-0.9 -5,-0.2 2,-0.3 0.940 121.3 6.2 -63.3 -43.0 21.0 29.2 19.6 82 82 A K - 0 0 112 -6,-0.2 2,-0.3 -3,-0.1 27,-0.2 -0.882 63.1-165.5-137.9 155.8 17.9 27.1 18.7 83 83 A F B -I 108 0B 9 25,-1.6 25,-2.1 -2,-0.3 3,-0.1 -0.961 30.6 -82.8-142.8 163.0 16.7 23.4 19.0 84 84 A E - 0 0 87 -2,-0.3 2,-0.9 23,-0.2 3,-0.1 -0.055 43.1 -96.4 -62.0 161.1 14.0 21.3 17.5 85 85 A D - 0 0 27 1,-0.2 -1,-0.1 41,-0.0 3,-0.1 -0.745 38.2-159.3 -80.3 107.5 10.4 20.7 18.5 86 86 A E - 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