==== 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 23-SEP-04 1W8L . 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) . 7702.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 109 66.1 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 . 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 . 15 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 9.1 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 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 0 174 0, 0.0 2,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-123.7 11.8 32.5 71.3 2 2 A V - 0 0 109 2,-0.0 24,-0.0 0, 0.0 163,-0.0 -0.561 360.0-143.6-167.4 93.3 11.8 35.9 73.0 3 3 A N - 0 0 28 -2,-0.1 22,-0.1 1,-0.1 162,-0.0 -0.437 30.4-120.0 -62.9 128.1 10.8 39.0 71.0 4 4 A P - 0 0 17 0, 0.0 20,-2.7 0, 0.0 2,-0.4 -0.295 20.6-142.4 -67.6 159.5 12.9 41.9 72.2 5 5 A T E -A 23 0A 19 18,-0.2 159,-2.8 32,-0.0 160,-1.4 -0.989 18.6-178.5-126.5 132.6 11.4 45.0 73.8 6 6 A V E -AB 22 163A 0 16,-2.1 16,-3.1 -2,-0.4 2,-0.3 -0.861 9.7-148.9-126.3 163.3 12.6 48.6 73.2 7 7 A F E -AB 21 162A 21 155,-2.2 155,-1.5 -2,-0.3 2,-0.4 -0.937 5.6-156.1-133.4 157.7 11.5 52.0 74.6 8 8 A F E -AB 20 161A 0 12,-2.5 12,-2.4 -2,-0.3 2,-0.7 -0.994 10.8-149.8-130.3 131.9 11.4 55.7 73.4 9 9 A D E -AB 19 160A 36 151,-3.2 150,-2.1 -2,-0.4 151,-1.1 -0.950 26.4-151.9-104.2 108.7 11.4 58.6 75.9 10 10 A I E -AB 18 158A 3 8,-2.9 7,-3.2 -2,-0.7 8,-1.1 -0.654 15.0-174.2 -86.2 142.7 9.4 61.3 73.9 11 11 A A E -AB 16 157A 3 146,-2.6 146,-2.4 -2,-0.3 2,-0.5 -0.945 20.1-144.3-135.7 153.8 9.8 65.0 74.4 12 12 A V E > S-AB 15 156A 15 3,-2.8 3,-1.8 -2,-0.3 144,-0.2 -0.954 90.3 -24.7-121.2 108.0 8.1 68.2 73.1 13 13 A D T 3 S- 0 0 97 142,-2.6 -1,-0.1 -2,-0.5 143,-0.1 0.876 128.8 -51.8 54.5 37.6 10.6 71.0 72.5 14 14 A G T 3 S+ 0 0 55 141,-0.4 -1,-0.3 1,-0.2 142,-0.0 0.034 111.6 122.5 91.7 -29.3 12.7 69.3 75.2 15 15 A E E < S-A 12 0A 141 -3,-1.8 -3,-2.8 1,-0.1 -1,-0.2 -0.587 71.7-109.4 -71.5 123.3 9.9 69.0 77.8 16 16 A P E +A 11 0A 103 0, 0.0 -5,-0.3 0, 0.0 -1,-0.1 -0.238 39.7 173.0 -55.9 127.3 9.5 65.3 78.7 17 17 A L E - 0 0 55 -7,-3.2 2,-0.3 1,-0.3 -6,-0.2 0.844 47.5 -81.8 -99.9 -62.9 6.2 63.8 77.5 18 18 A G E -A 10 0A 23 -8,-1.1 -8,-2.9 120,-0.1 2,-0.4 -0.985 39.5 -73.1 173.4-179.9 6.4 60.1 78.3 19 19 A R E -A 9 0A 127 -2,-0.3 2,-0.4 -10,-0.2 119,-0.2 -0.819 27.9-169.4-106.0 137.3 7.7 56.6 77.5 20 20 A V E -A 8 0A 1 -12,-2.4 -12,-2.5 -2,-0.4 2,-0.4 -0.981 9.5-160.8-121.6 130.9 6.5 54.3 74.8 21 21 A S E -AC 7 134A 9 113,-2.6 112,-3.3 -2,-0.4 113,-1.1 -0.907 4.8-161.4-113.5 146.4 7.6 50.7 74.7 22 22 A F E -AC 6 132A 0 -16,-3.1 -16,-2.1 -2,-0.4 2,-0.5 -0.967 15.4-142.0-129.3 142.4 7.5 48.3 71.7 23 23 A E E -AC 5 131A 48 108,-2.8 108,-1.8 -2,-0.4 2,-0.6 -0.880 23.7-144.9 -98.8 130.9 7.6 44.6 71.2 24 24 A L E - C 0 130A 0 -20,-2.7 2,-2.4 -2,-0.5 106,-0.3 -0.902 9.6-134.2-103.6 122.2 9.6 43.7 68.1 25 25 A F >> + 0 0 24 104,-2.6 4,-3.1 -2,-0.6 3,-1.5 -0.350 43.5 154.6 -73.8 62.6 8.4 40.7 66.1 26 26 A A T 34 + 0 0 19 -2,-2.4 -1,-0.2 1,-0.3 8,-0.1 0.737 68.6 66.0 -61.0 -24.2 11.8 39.1 65.6 27 27 A D T 34 S+ 0 0 77 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.759 117.0 22.2 -70.9 -24.9 10.0 35.7 65.3 28 28 A K T <4 S+ 0 0 95 -3,-1.5 -2,-0.2 101,-0.1 -1,-0.1 0.720 141.0 22.6-110.4 -37.9 8.2 36.8 62.1 29 29 A V X + 0 0 0 -4,-3.1 4,-2.9 100,-0.2 5,-0.2 -0.558 68.5 163.7-132.4 69.1 10.5 39.6 60.7 30 30 A P H > S+ 0 0 68 0, 0.0 4,-2.4 0, 0.0 5,-0.2 0.864 76.1 47.9 -55.1 -45.6 14.0 39.0 62.3 31 31 A K H > S+ 0 0 59 2,-0.2 4,-1.6 1,-0.2 5,-0.1 0.920 116.8 42.2 -66.2 -42.3 15.9 41.2 59.9 32 32 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.903 115.0 50.4 -71.3 -39.6 13.5 44.1 60.2 33 33 A A H X S+ 0 0 0 -4,-2.9 4,-2.7 1,-0.2 -2,-0.2 0.916 109.8 51.3 -63.1 -43.0 13.2 43.7 64.0 34 34 A E H X S+ 0 0 65 -4,-2.4 4,-2.9 -5,-0.2 5,-0.2 0.856 106.2 54.5 -62.9 -39.9 17.0 43.7 64.4 35 35 A N H X S+ 0 0 0 -4,-1.6 4,-2.2 2,-0.2 -1,-0.2 0.963 113.2 41.6 -58.4 -52.8 17.4 46.9 62.4 36 36 A F H X S+ 0 0 0 -4,-1.9 4,-1.8 2,-0.2 -2,-0.2 0.904 115.4 51.0 -62.4 -43.7 14.9 48.7 64.7 37 37 A R H X S+ 0 0 28 -4,-2.7 4,-1.5 1,-0.2 -2,-0.2 0.939 112.2 45.5 -59.8 -50.5 16.4 47.1 67.8 38 38 A A H X>S+ 0 0 0 -4,-2.9 4,-1.6 1,-0.2 5,-0.9 0.877 112.6 50.9 -62.1 -39.3 20.0 48.0 67.0 39 39 A L H <5S+ 0 0 1 -4,-2.2 9,-1.8 -5,-0.2 10,-0.5 0.814 107.7 54.8 -68.9 -28.6 19.0 51.6 66.0 40 40 A S H <5S+ 0 0 1 -4,-1.8 -1,-0.2 1,-0.2 -2,-0.2 0.810 114.6 38.4 -73.2 -33.7 17.1 52.0 69.3 41 41 A T H <5S- 0 0 53 -4,-1.5 -2,-0.2 121,-0.2 -1,-0.2 0.664 100.3-136.2 -89.2 -20.7 20.3 51.0 71.3 42 42 A G T ><5 + 0 0 30 -4,-1.6 3,-2.0 -5,-0.2 -3,-0.2 0.634 52.8 146.9 73.8 16.5 22.6 52.9 69.0 43 43 A E T 3 < + 0 0 105 -5,-0.9 -4,-0.1 1,-0.3 4,-0.1 0.717 64.2 58.5 -57.5 -25.8 25.1 50.0 69.0 44 44 A K T 3 S- 0 0 99 2,-0.5 -1,-0.3 -6,-0.4 3,-0.1 0.478 124.2 -98.0 -84.1 -2.7 26.3 50.6 65.4 45 45 A G S < S+ 0 0 71 -3,-2.0 2,-0.3 1,-0.3 -2,-0.1 0.533 102.9 60.4 97.8 5.3 27.4 54.2 66.2 46 46 A F + 0 0 56 -4,-0.1 -2,-0.5 32,-0.0 2,-0.3 -0.967 60.6 120.6-155.9 157.3 24.2 55.8 64.9 47 47 A G - 0 0 12 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.997 65.2 -49.3 171.8-167.7 20.5 55.5 65.8 48 48 A Y S > S+ 0 0 0 -9,-1.8 3,-2.5 -2,-0.3 110,-0.3 0.700 82.6 113.7 -69.8 -24.7 17.2 57.0 66.9 49 49 A K T 3 S+ 0 0 139 -10,-0.5 -2,-0.2 1,-0.3 110,-0.2 -0.262 89.1 11.3 -54.9 125.6 18.4 58.9 69.9 50 50 A G T 3 S+ 0 0 51 108,-3.0 -1,-0.3 1,-0.3 109,-0.1 0.258 101.6 121.2 90.7 -13.7 18.0 62.7 69.3 51 51 A S < - 0 0 0 -3,-2.5 107,-2.8 107,-0.2 -1,-0.3 -0.350 51.8-133.6 -80.4 164.5 15.9 62.2 66.1 52 52 A C B -D 157 0A 21 14,-0.4 2,-1.1 105,-0.2 14,-0.5 -0.744 17.8-113.0-120.9 164.0 12.4 63.6 65.7 53 53 A F - 0 0 0 103,-2.7 103,-0.4 -2,-0.2 11,-0.3 -0.855 37.4-179.7 -92.3 98.4 8.9 62.5 64.5 54 54 A H + 0 0 36 -2,-1.1 2,-0.4 9,-0.3 98,-0.4 0.625 64.8 41.8 -78.2 -17.0 8.8 64.8 61.4 55 55 A R E +E 63 0A 116 8,-1.6 8,-3.6 96,-0.1 2,-0.5 -0.936 60.7 168.3-138.5 114.9 5.4 63.7 60.2 56 56 A I E -E 62 0A 0 94,-2.7 91,-2.3 -2,-0.4 94,-0.3 -0.974 8.0-175.3-129.0 114.9 2.4 63.2 62.5 57 57 A I E >> -E 61 0A 22 4,-2.8 3,-2.1 -2,-0.5 4,-1.3 -0.948 28.4-122.5-114.8 113.5 -1.1 62.9 61.0 58 58 A P T 34 S+ 0 0 63 0, 0.0 82,-0.0 0, 0.0 86,-0.0 -0.220 96.5 12.7 -53.5 136.8 -4.0 62.6 63.6 59 59 A G T 34 S+ 0 0 51 1,-0.2 56,-0.0 57,-0.1 84,-0.0 0.497 130.6 57.0 72.0 5.7 -6.1 59.5 63.2 60 60 A F T <4 S- 0 0 49 -3,-2.1 56,-2.5 1,-0.2 57,-0.8 0.563 102.2 -54.7-126.6 -79.3 -3.4 58.0 61.0 61 61 A M E < -EF 57 115A 7 -4,-1.3 -4,-2.8 54,-0.3 2,-0.5 -0.995 26.7-118.1-167.4 167.8 0.2 57.7 62.2 62 62 A C E -EF 56 114A 0 52,-2.2 52,-2.6 -2,-0.3 2,-0.4 -0.983 33.4-163.1-116.9 118.5 3.4 59.2 63.7 63 63 A Q E +EF 55 113A 27 -8,-3.6 -8,-1.6 -2,-0.5 -9,-0.3 -0.861 25.2 127.9-108.7 138.8 6.4 58.9 61.4 64 64 A G E + F 0 112A 0 48,-2.4 48,-1.9 -2,-0.4 -11,-0.2 -0.759 14.8 113.5-157.7-158.6 10.1 59.3 62.4 65 65 A G + 0 0 0 -13,-0.5 2,-1.3 46,-0.3 11,-0.3 0.412 40.6 130.5 98.6 -4.7 13.5 57.7 62.3 66 66 A D + 0 0 1 -14,-0.5 -14,-0.4 1,-0.2 4,-0.3 -0.698 16.5 156.8 -86.1 91.2 15.4 60.1 60.1 67 67 A F + 0 0 26 -2,-1.3 -1,-0.2 -16,-0.1 -20,-0.1 0.526 67.2 53.9 -91.4 -6.2 18.6 60.6 62.1 68 68 A T S S+ 0 0 44 -3,-0.1 -1,-0.1 -22,-0.0 -2,-0.1 0.893 127.1 9.7 -94.0 -49.8 20.8 61.7 59.2 69 69 A R S S- 0 0 153 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.666 85.7-143.1-103.4 -24.0 18.9 64.6 57.5 70 70 A H S S+ 0 0 99 -4,-0.3 -3,-0.1 -18,-0.1 -17,-0.0 0.875 79.3 79.3 61.4 45.4 16.2 65.1 60.2 71 71 A N S S- 0 0 91 -19,-0.1 -1,-0.1 -7,-0.0 -4,-0.1 0.256 111.9 -87.5-160.9 12.0 13.4 66.0 57.7 72 72 A G S S+ 0 0 24 -6,-0.1 -5,-0.0 -17,-0.0 39,-0.0 0.431 109.7 89.0 89.9 0.0 12.1 62.7 56.3 73 73 A T S S+ 0 0 110 -7,-0.1 2,-0.0 0, 0.0 -1,-0.0 0.612 87.4 38.9-102.5 -17.0 14.5 62.5 53.4 74 74 A G + 0 0 8 -8,-0.0 36,-0.3 2,-0.0 37,-0.3 -0.006 52.2 118.5-110.5-145.1 17.3 60.6 55.1 75 75 A G - 0 0 9 -9,-0.1 2,-0.3 34,-0.1 -9,-0.1 -0.079 39.0-140.6 95.1 155.0 18.0 57.8 57.6 76 76 A K - 0 0 84 -11,-0.3 5,-0.2 33,-0.1 6,-0.2 -0.989 8.1-121.8-151.8 151.8 19.9 54.5 57.0 77 77 A S > - 0 0 1 4,-1.9 3,-0.6 -2,-0.3 33,-0.1 -0.253 30.6-110.8 -84.0 176.0 19.6 50.8 58.0 78 78 A I T 3 S+ 0 0 28 31,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.405 113.1 63.9 -86.4 0.8 22.2 48.7 59.8 79 79 A Y T 3 S- 0 0 88 1,-0.3 2,-0.4 30,-0.1 -1,-0.2 -0.046 125.9 -76.9-112.6 29.3 22.8 46.7 56.6 80 80 A G S < S- 0 0 45 -3,-0.6 -3,-0.3 1,-0.2 -1,-0.3 -0.917 86.7 -32.3 112.3-141.5 24.2 49.6 54.6 81 81 A E S S- 0 0 147 -2,-0.4 -4,-1.9 1,-0.3 2,-0.3 0.980 119.7 -2.7 -81.5 -63.6 21.8 52.2 53.1 82 82 A K - 0 0 79 -3,-0.2 2,-0.3 -6,-0.2 -1,-0.3 -0.919 61.7-157.7-131.4 154.1 18.6 50.4 52.3 83 83 A F B -I 108 0B 6 25,-2.5 25,-2.1 -2,-0.3 3,-0.1 -0.889 27.4 -89.4-131.7 162.4 17.3 46.9 52.5 84 84 A E - 0 0 88 -2,-0.3 2,-0.5 23,-0.2 3,-0.1 -0.158 47.3 -93.0 -66.4 156.8 14.6 44.7 51.0 85 85 A D - 0 0 23 1,-0.2 -1,-0.1 3,-0.0 3,-0.1 -0.652 38.5-155.1 -69.5 118.8 11.0 44.3 52.2 86 86 A E - 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