==== 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 28-SEP-04 1W8V . 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) . 7632.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 112 67.9 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 . 47 28.5 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 . 16 9.7 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 . 20 12.1 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+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 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 0 192 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-178.6 -14.1 -8.0 38.1 2 2 A V - 0 0 100 163,-0.1 24,-0.0 0, 0.0 0, 0.0 -0.953 360.0 -80.8-159.3 150.3 -11.3 -10.6 38.2 3 3 A N - 0 0 18 -2,-0.3 22,-0.1 1,-0.1 162,-0.0 -0.354 55.0-111.8 -59.1 135.4 -10.5 -13.6 36.0 4 4 A P - 0 0 17 0, 0.0 20,-2.5 0, 0.0 2,-0.4 -0.259 21.8-144.4 -69.1 154.7 -12.6 -16.6 36.9 5 5 A T E +A 23 0A 6 18,-0.2 159,-2.9 16,-0.0 160,-1.0 -0.990 19.4 179.6-122.7 123.8 -11.1 -19.8 38.5 6 6 A V E -AB 22 163A 0 16,-2.0 16,-3.1 -2,-0.4 2,-0.3 -0.829 10.3-149.5-120.0 162.3 -12.5 -23.2 37.6 7 7 A F E -AB 21 162A 19 155,-2.6 155,-1.6 -2,-0.3 2,-0.4 -0.937 9.5-157.2-134.1 158.3 -11.4 -26.7 38.8 8 8 A F E -AB 20 161A 0 12,-2.3 12,-2.4 -2,-0.3 2,-0.7 -0.998 10.9-151.7-131.1 129.5 -11.3 -30.3 37.7 9 9 A D E -AB 19 160A 37 151,-3.2 150,-1.7 -2,-0.4 151,-1.2 -0.942 25.9-152.0-103.5 109.6 -11.2 -33.2 40.1 10 10 A I E -AB 18 158A 4 8,-2.9 7,-3.1 -2,-0.7 8,-1.2 -0.634 15.0-173.5 -88.5 144.7 -9.4 -35.9 38.2 11 11 A A E -AB 16 157A 3 146,-2.1 146,-2.0 -2,-0.3 2,-0.6 -0.937 19.2-143.7-134.9 152.3 -9.8 -39.7 38.7 12 12 A V E > S-AB 15 156A 15 3,-2.7 3,-2.0 -2,-0.3 144,-0.2 -0.962 90.4 -24.5-119.3 108.6 -8.0 -42.7 37.3 13 13 A D T 3 S- 0 0 97 142,-2.6 -1,-0.1 -2,-0.6 143,-0.1 0.890 129.6 -50.9 53.1 39.8 -10.4 -45.6 36.7 14 14 A G T 3 S+ 0 0 58 141,-0.3 -1,-0.3 1,-0.2 142,-0.0 0.073 112.1 121.6 89.4 -25.0 -12.6 -43.9 39.3 15 15 A E E < S-A 12 0A 139 -3,-2.0 -3,-2.7 1,-0.1 -1,-0.2 -0.618 71.2-113.8 -74.8 119.2 -9.8 -43.6 41.9 16 16 A P E +A 11 0A 98 0, 0.0 -5,-0.3 0, 0.0 -1,-0.1 -0.315 36.7 175.4 -58.5 129.1 -9.4 -39.9 42.9 17 17 A L E - 0 0 57 -7,-3.1 2,-0.3 1,-0.3 -6,-0.2 0.845 48.1 -89.9 -96.5 -57.7 -6.1 -38.5 41.8 18 18 A G E -A 10 0A 24 -8,-1.2 -8,-2.9 120,-0.0 2,-0.3 -0.974 41.1 -60.8 166.4-173.9 -6.5 -34.8 42.8 19 19 A R E -A 9 0A 116 -2,-0.3 2,-0.4 -10,-0.2 119,-0.3 -0.773 27.3-169.3-105.8 140.5 -7.6 -31.3 41.8 20 20 A V E -A 8 0A 1 -12,-2.4 -12,-2.3 -2,-0.3 2,-0.4 -0.998 12.7-163.5-123.7 124.0 -6.3 -29.0 39.0 21 21 A S E -AC 7 134A 5 113,-2.7 112,-3.4 -2,-0.4 113,-0.8 -0.875 3.5-158.9-110.3 148.2 -7.5 -25.4 39.1 22 22 A F E -AC 6 132A 0 -16,-3.1 -16,-2.0 -2,-0.4 2,-0.5 -0.966 15.4-142.1-129.3 143.7 -7.3 -23.0 36.2 23 23 A E E -AC 5 131A 52 108,-2.5 108,-1.8 -2,-0.4 2,-0.5 -0.874 23.6-147.5 -97.6 131.6 -7.3 -19.2 35.9 24 24 A L E - C 0 130A 0 -20,-2.5 2,-2.4 -2,-0.5 106,-0.3 -0.926 12.3-131.9-104.9 124.7 -9.2 -18.3 32.7 25 25 A F >> + 0 0 16 104,-2.6 4,-3.0 -2,-0.5 3,-1.4 -0.374 44.4 155.3 -75.2 66.2 -8.0 -15.1 30.9 26 26 A A T 34 + 0 0 25 -2,-2.4 -1,-0.2 1,-0.3 8,-0.1 0.757 68.8 65.1 -63.3 -25.8 -11.4 -13.4 30.6 27 27 A D T 34 S+ 0 0 96 -3,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.758 117.2 23.6 -69.7 -23.7 -9.6 -10.1 30.4 28 28 A K T <4 S+ 0 0 83 -3,-1.4 -2,-0.2 1,-0.1 -1,-0.1 0.736 139.8 21.5-109.9 -38.0 -7.9 -11.1 27.1 29 29 A V X + 0 0 0 -4,-3.0 4,-2.6 100,-0.1 5,-0.2 -0.571 67.6 165.8-133.8 71.9 -10.1 -13.7 25.6 30 30 A P H > S+ 0 0 69 0, 0.0 4,-2.2 0, 0.0 5,-0.1 0.834 75.3 48.7 -56.6 -40.3 -13.6 -13.3 27.2 31 31 A K H > S+ 0 0 68 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.896 115.4 42.9 -70.5 -40.4 -15.6 -15.4 24.7 32 32 A T H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 -1,-0.2 0.896 115.5 49.7 -72.3 -40.5 -13.2 -18.4 24.9 33 33 A A H X S+ 0 0 1 -4,-2.6 4,-2.6 1,-0.2 -2,-0.2 0.913 110.0 51.3 -63.8 -43.8 -12.8 -18.1 28.7 34 34 A E H X S+ 0 0 65 -4,-2.2 4,-2.7 -5,-0.2 5,-0.3 0.880 106.1 54.8 -62.4 -40.0 -16.6 -18.0 29.1 35 35 A N H X S+ 0 0 0 -4,-1.7 4,-2.0 1,-0.2 -1,-0.2 0.953 112.8 42.5 -58.3 -50.4 -17.1 -21.1 26.9 36 36 A F H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.902 113.9 52.0 -63.8 -42.8 -14.7 -23.1 29.2 37 37 A R H X S+ 0 0 31 -4,-2.6 4,-1.7 2,-0.2 3,-0.2 0.953 111.8 44.9 -59.0 -52.6 -16.2 -21.6 32.4 38 38 A A H X>S+ 0 0 1 -4,-2.7 4,-1.9 1,-0.2 5,-0.7 0.862 112.6 51.2 -61.2 -39.2 -19.8 -22.5 31.5 39 39 A L H <5S+ 0 0 0 -4,-2.0 9,-1.6 -5,-0.3 10,-0.5 0.820 108.9 53.5 -68.6 -27.8 -18.8 -26.0 30.3 40 40 A S H <5S+ 0 0 1 -4,-1.7 -2,-0.2 -3,-0.2 -1,-0.2 0.833 114.1 39.5 -75.5 -33.8 -17.0 -26.5 33.7 41 41 A T H <5S- 0 0 50 -4,-1.7 -2,-0.2 121,-0.2 -1,-0.2 0.729 99.5-138.0 -86.4 -23.2 -20.1 -25.5 35.7 42 42 A G T ><5 + 0 0 30 -4,-1.9 3,-2.0 -5,-0.2 -3,-0.2 0.602 53.5 144.5 75.0 15.1 -22.4 -27.4 33.4 43 43 A E T 3 < + 0 0 103 -5,-0.7 -4,-0.1 1,-0.3 4,-0.1 0.660 62.7 59.3 -60.6 -21.3 -24.9 -24.6 33.6 44 44 A K T 3 S- 0 0 106 2,-0.5 -1,-0.3 -6,-0.4 3,-0.1 0.414 124.6 -97.6 -88.3 1.5 -26.1 -25.0 30.0 45 45 A G S < S+ 0 0 72 -3,-2.0 2,-0.3 1,-0.2 -2,-0.2 0.493 101.6 57.8 96.6 3.4 -27.2 -28.6 30.6 46 46 A F + 0 0 57 -8,-0.1 -2,-0.5 -4,-0.1 2,-0.3 -0.970 60.2 112.2-156.4 160.3 -24.0 -30.1 29.2 47 47 A G - 0 0 13 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.997 67.6 -40.9 165.6-163.7 -20.3 -29.9 29.9 48 48 A Y S > S+ 0 0 0 -9,-1.6 3,-2.4 -2,-0.3 110,-0.3 0.676 81.9 114.2 -70.9 -25.1 -17.0 -31.5 31.1 49 49 A K T 3 S+ 0 0 142 -10,-0.5 -2,-0.2 1,-0.3 110,-0.2 -0.288 89.3 10.8 -55.5 125.5 -18.2 -33.4 34.1 50 50 A G T 3 S+ 0 0 48 108,-3.1 -1,-0.3 1,-0.3 109,-0.1 0.202 101.8 119.2 91.9 -15.7 -17.9 -37.1 33.5 51 51 A S < - 0 0 0 -3,-2.4 107,-2.9 107,-0.2 -1,-0.3 -0.253 52.4-134.2 -78.3 169.1 -15.8 -36.7 30.3 52 52 A C B -D 157 0A 26 14,-0.3 2,-1.1 105,-0.3 13,-0.5 -0.767 19.2-107.6-125.7 166.1 -12.2 -38.0 29.9 53 53 A F + 0 0 1 103,-2.8 103,-0.4 -2,-0.3 11,-0.3 -0.845 38.1 179.0 -89.9 99.1 -8.8 -37.0 28.7 54 54 A H + 0 0 36 -2,-1.1 2,-0.4 9,-0.3 98,-0.4 0.689 65.5 43.9 -77.1 -20.0 -8.7 -39.1 25.5 55 55 A R E +E 63 0A 92 8,-1.7 8,-3.7 96,-0.1 2,-0.5 -0.928 60.4 165.1-135.1 109.7 -5.3 -37.9 24.3 56 56 A I E -E 62 0A 0 94,-2.5 91,-2.1 -2,-0.4 94,-0.3 -0.974 8.8-176.6-127.7 115.9 -2.3 -37.6 26.6 57 57 A I E >> -E 61 0A 23 4,-2.9 3,-2.1 -2,-0.5 4,-1.4 -0.949 28.3-124.4-115.8 111.7 1.3 -37.2 25.2 58 58 A P T 34 S+ 0 0 61 0, 0.0 86,-0.0 0, 0.0 82,-0.0 -0.236 96.1 15.7 -54.0 135.2 4.1 -37.1 27.8 59 59 A G T 34 S+ 0 0 53 1,-0.1 56,-0.0 57,-0.1 84,-0.0 0.405 130.9 52.6 78.8 0.5 6.3 -34.1 27.4 60 60 A F T <4 S- 0 0 41 -3,-2.1 56,-2.4 1,-0.2 57,-0.7 0.606 103.2 -46.3-127.3 -75.7 3.6 -32.4 25.3 61 61 A M E < -EF 57 115A 7 -4,-1.4 -4,-2.9 54,-0.3 2,-0.5 -0.996 26.8-123.9-165.6 166.5 0.0 -32.1 26.5 62 62 A C E -EF 56 114A 0 52,-2.3 52,-2.3 -2,-0.3 2,-0.4 -0.981 34.0-165.9-120.0 115.0 -3.1 -33.6 28.0 63 63 A Q E +EF 55 113A 24 -8,-3.7 -8,-1.7 -2,-0.5 -9,-0.3 -0.859 22.7 130.6-109.9 139.4 -6.2 -33.2 25.8 64 64 A G E + F 0 112A 0 48,-2.2 48,-1.8 -2,-0.4 -11,-0.2 -0.736 15.9 114.0-155.5-159.1 -9.9 -33.7 26.7 65 65 A G + 0 0 0 -13,-0.5 2,-1.3 46,-0.2 11,-0.3 0.486 40.2 129.7 98.8 1.1 -13.3 -32.0 26.5 66 66 A D > + 0 0 2 -14,-0.5 4,-0.5 1,-0.2 -14,-0.3 -0.687 16.7 155.2 -92.2 86.8 -15.2 -34.4 24.2 67 67 A F T 4 + 0 0 26 -2,-1.3 -1,-0.2 2,-0.1 -20,-0.1 0.445 67.8 52.2 -89.8 -1.8 -18.3 -34.9 26.2 68 68 A T T 4 S+ 0 0 55 -3,-0.1 -1,-0.1 -22,-0.0 -2,-0.1 0.878 127.3 11.7 -98.4 -52.1 -20.5 -35.8 23.2 69 69 A R T 4 S- 0 0 146 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.637 83.6-146.7-100.0 -20.9 -18.6 -38.6 21.4 70 70 A H S < S+ 0 0 98 -4,-0.5 -3,-0.1 1,-0.1 -17,-0.0 0.804 78.6 81.9 56.9 36.4 -16.1 -39.4 24.1 71 71 A N S S- 0 0 83 -19,-0.0 -1,-0.1 -16,-0.0 -4,-0.1 0.306 111.3 -89.6-148.0 4.3 -13.4 -40.3 21.5 72 72 A G S S+ 0 0 24 -6,-0.1 -5,-0.1 -17,-0.0 39,-0.0 0.429 109.4 85.9 97.3 0.3 -11.8 -37.0 20.4 73 73 A T S S+ 0 0 109 -7,-0.1 2,-0.0 0, 0.0 -7,-0.0 0.559 86.4 44.3-107.0 -13.5 -14.2 -36.3 17.4 74 74 A G + 0 0 9 -8,-0.1 36,-0.3 2,-0.0 37,-0.3 0.026 50.7 113.6-108.9-143.8 -17.0 -34.5 19.2 75 75 A G - 0 0 6 -9,-0.1 2,-0.3 34,-0.1 -9,-0.1 -0.047 40.1-143.8 90.5 159.0 -17.8 -31.9 21.8 76 76 A K - 0 0 80 -11,-0.3 5,-0.2 33,-0.1 6,-0.2 -0.985 10.1-115.5-156.8 155.8 -19.5 -28.5 21.3 77 77 A S > - 0 0 1 4,-1.7 3,-0.7 -2,-0.3 33,-0.1 -0.297 31.5-110.4 -85.7 175.1 -19.4 -24.9 22.5 78 78 A I T 3 S+ 0 0 30 31,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.439 112.5 67.7 -84.4 1.8 -22.0 -23.0 24.4 79 79 A Y T 3 S- 0 0 86 30,-0.1 2,-0.5 2,-0.1 -1,-0.2 0.053 126.6 -76.2-108.7 23.3 -22.5 -20.9 21.2 80 80 A G S < S- 0 0 51 -3,-0.7 3,-0.1 1,-0.2 -1,-0.0 -0.973 88.1 -40.6 120.3-113.8 -24.0 -23.6 19.0 81 81 A E S S+ 0 0 135 -2,-0.5 -4,-1.7 1,-0.4 2,-0.3 0.770 117.0 9.6-115.0 -59.2 -21.4 -26.0 17.7 82 82 A K - 0 0 76 -3,-0.2 -1,-0.4 -6,-0.2 2,-0.3 -0.917 60.5-163.5-127.5 152.4 -18.2 -24.2 16.7 83 83 A F B -I 108 0B 6 25,-2.2 25,-2.1 -2,-0.3 3,-0.1 -0.929 27.3 -90.4-135.8 159.3 -16.8 -20.7 17.1 84 84 A E - 0 0 84 -2,-0.3 2,-0.6 23,-0.2 3,-0.1 -0.154 47.3 -93.7 -64.0 156.5 -14.1 -18.5 15.7 85 85 A D - 0 0 23 1,-0.2 -1,-0.1 3,-0.0 3,-0.1 -0.658 37.8-154.4 -70.9 114.5 -10.6 -18.2 17.0 86 86 A E - 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