==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/ISOMERASE INHIBITOR 01-APR-11 3RDD . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.COLLIANDRE,H.AHMED-BELKACEM,Y.BESSIN,J.M.PAWLOTSKY,J.F.GUI . 165 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7140.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 111 67.3 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 . 49 29.7 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 . 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 . 13 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 10.3 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 . 3 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 2 A V 0 0 178 0, 0.0 163,-0.0 0, 0.0 24,-0.0 0.000 360.0 360.0 360.0 100.1 -20.4 -2.1 -17.5 2 3 A N - 0 0 30 1,-0.1 22,-0.1 20,-0.0 0, 0.0 -0.288 360.0-110.0 -66.7 137.6 -17.4 0.1 -16.4 3 4 A P - 0 0 17 0, 0.0 20,-2.5 0, 0.0 2,-0.4 -0.232 23.2-146.9 -63.3 153.3 -15.7 2.3 -19.1 4 5 A T E -A 22 0A 17 160,-2.0 159,-1.9 18,-0.2 160,-1.3 -0.980 17.8-179.7-117.8 134.9 -12.3 1.6 -20.5 5 6 A V E -AB 21 162A 0 16,-1.9 16,-2.5 -2,-0.4 2,-0.3 -0.923 10.9-148.4-129.7 158.3 -9.9 4.4 -21.5 6 7 A F E -AB 20 161A 19 155,-3.0 155,-1.7 -2,-0.3 2,-0.4 -0.938 6.2-158.9-129.4 149.9 -6.4 4.4 -22.9 7 8 A F E -AB 19 160A 1 12,-2.8 12,-2.4 -2,-0.3 2,-0.6 -0.995 9.2-152.8-120.0 133.4 -3.3 6.6 -22.8 8 9 A D E -AB 18 159A 38 151,-3.4 150,-2.1 -2,-0.4 151,-1.2 -0.954 23.4-150.6-104.6 118.3 -0.6 6.4 -25.5 9 10 A I E -AB 17 157A 3 8,-2.7 7,-2.7 -2,-0.6 8,-1.1 -0.657 13.2-167.5 -99.3 140.8 2.6 7.4 -23.8 10 11 A A E -AB 15 156A 3 146,-2.1 146,-2.0 -2,-0.3 2,-0.6 -0.983 13.7-151.4-126.3 135.0 5.6 9.1 -25.4 11 12 A V E > S-AB 14 155A 19 3,-2.6 3,-1.6 -2,-0.4 144,-0.2 -0.936 89.6 -22.6-100.9 112.1 9.1 9.7 -24.0 12 13 A D T 3 S- 0 0 93 142,-3.4 -1,-0.2 -2,-0.6 143,-0.1 0.924 129.1 -49.9 49.5 50.1 10.5 12.9 -25.6 13 14 A G T 3 S+ 0 0 55 141,-0.4 -1,-0.3 1,-0.2 142,-0.0 0.026 116.1 111.8 85.8 -28.4 8.1 12.5 -28.6 14 15 A E E < S-A 11 0A 140 -3,-1.6 -3,-2.6 1,-0.1 -1,-0.2 -0.677 75.5-104.8 -88.0 128.4 8.9 8.8 -29.3 15 16 A P E +A 10 0A 114 0, 0.0 -5,-0.2 0, 0.0 -1,-0.1 -0.067 37.9 171.5 -47.8 142.2 6.2 6.2 -28.5 16 17 A L E - 0 0 55 -7,-2.7 2,-0.3 1,-0.3 -6,-0.2 0.642 50.8 -80.8-117.7 -49.5 6.6 4.0 -25.4 17 18 A G E -A 9 0A 25 -8,-1.1 -8,-2.7 2,-0.0 2,-0.4 -0.948 42.7 -69.1 162.0-178.1 3.3 2.1 -25.2 18 19 A R E -A 8 0A 113 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.876 26.3-167.4-111.8 129.7 -0.3 2.0 -24.2 19 20 A V E -A 7 0A 0 -12,-2.4 -12,-2.8 -2,-0.4 2,-0.3 -0.962 11.6-167.1-108.5 126.4 -1.9 2.0 -20.7 20 21 A S E -AC 6 133A 2 113,-2.4 112,-2.9 -2,-0.5 113,-1.1 -0.886 2.7-161.2-111.7 152.3 -5.5 1.2 -20.4 21 22 A F E -AC 5 131A 0 -16,-2.5 -16,-1.9 -2,-0.3 2,-0.5 -0.989 18.0-138.8-132.1 136.8 -7.7 1.7 -17.3 22 23 A E E -AC 4 130A 46 108,-2.0 108,-1.9 -2,-0.4 2,-0.5 -0.847 25.6-146.8 -85.1 129.4 -11.1 0.4 -16.1 23 24 A L E - C 0 129A 0 -20,-2.5 2,-2.4 -2,-0.5 106,-0.3 -0.894 10.3-134.6-100.8 122.5 -13.0 3.4 -14.5 24 25 A F >> + 0 0 32 104,-3.1 4,-3.4 -2,-0.5 3,-0.8 -0.403 44.4 154.4 -80.8 68.2 -15.2 2.3 -11.6 25 26 A A T 34 + 0 0 31 -2,-2.4 -1,-0.2 1,-0.2 8,-0.1 0.730 67.0 66.4 -68.8 -23.0 -18.3 4.3 -12.7 26 27 A D T 34 S+ 0 0 105 -3,-0.3 -1,-0.2 2,-0.2 -2,-0.1 0.859 119.3 20.0 -64.7 -34.6 -20.4 1.8 -10.7 27 28 A K T <4 S+ 0 0 107 -3,-0.8 -2,-0.2 1,-0.1 61,-0.1 0.795 140.1 27.9-104.5 -37.3 -18.9 3.0 -7.4 28 29 A V S X S+ 0 0 0 -4,-3.4 4,-2.7 100,-0.2 5,-0.2 -0.565 70.2 158.8-123.9 67.8 -17.5 6.5 -8.3 29 30 A P H > S+ 0 0 63 0, 0.0 4,-2.9 0, 0.0 5,-0.2 0.912 72.7 47.0 -55.6 -55.6 -19.7 7.7 -11.2 30 31 A K H > S+ 0 0 62 1,-0.2 4,-1.1 2,-0.2 -5,-0.1 0.854 119.1 42.2 -58.8 -36.8 -19.1 11.5 -11.1 31 32 A T H > S+ 0 0 0 2,-0.2 4,-1.5 1,-0.1 -1,-0.2 0.833 113.8 51.0 -80.0 -38.5 -15.3 10.9 -10.8 32 33 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 1,-0.2 3,-0.2 0.948 109.4 51.6 -61.3 -51.2 -15.2 8.2 -13.5 33 34 A E H X S+ 0 0 66 -4,-2.9 4,-2.7 1,-0.2 5,-0.2 0.836 105.7 55.0 -54.2 -40.5 -17.1 10.4 -15.9 34 35 A N H X S+ 0 0 0 -4,-1.1 4,-1.3 -5,-0.2 -1,-0.2 0.911 113.5 41.2 -60.9 -42.5 -14.7 13.3 -15.4 35 36 A F H X S+ 0 0 0 -4,-1.5 4,-1.6 -3,-0.2 -2,-0.2 0.885 115.2 50.3 -74.7 -39.6 -11.7 11.1 -16.3 36 37 A R H X S+ 0 0 29 -4,-2.7 4,-1.9 1,-0.2 -2,-0.2 0.938 113.4 46.3 -60.5 -50.7 -13.6 9.4 -19.2 37 38 A A H X>S+ 0 0 0 -4,-2.7 4,-1.2 1,-0.2 5,-0.6 0.779 113.5 48.5 -57.9 -35.4 -14.6 12.8 -20.7 38 39 A L H <5S+ 0 0 0 -4,-1.3 9,-2.4 -5,-0.2 10,-0.5 0.751 110.5 51.5 -84.7 -25.2 -11.1 14.3 -20.3 39 40 A S H <5S+ 0 0 1 -4,-1.6 -2,-0.2 7,-0.2 -1,-0.2 0.842 114.9 41.4 -74.8 -38.3 -9.5 11.2 -22.0 40 41 A T H <5S- 0 0 43 -4,-1.9 -2,-0.2 121,-0.2 -3,-0.2 0.722 98.7-141.9 -80.4 -23.8 -11.9 11.4 -25.0 41 42 A G T ><5 + 0 0 30 -4,-1.2 3,-2.1 -5,-0.2 -3,-0.2 0.565 51.8 143.2 74.9 11.8 -11.6 15.2 -25.1 42 43 A E T 3 < + 0 0 104 -5,-0.6 -4,-0.1 1,-0.3 4,-0.1 0.604 63.1 56.5 -65.5 -16.7 -15.3 15.5 -26.0 43 44 A K T 3 S- 0 0 100 -6,-0.6 -1,-0.3 2,-0.5 3,-0.1 0.275 126.8 -93.2 -97.1 9.7 -15.9 18.7 -23.9 44 45 A G S < S+ 0 0 70 -3,-2.1 2,-0.3 1,-0.2 -2,-0.2 0.510 101.4 50.0 97.0 6.8 -13.1 20.6 -25.8 45 46 A F + 0 0 62 -8,-0.2 -2,-0.5 -4,-0.1 2,-0.3 -0.960 58.3 115.5-163.4 167.8 -10.2 19.9 -23.4 46 47 A G S S- 0 0 12 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.991 70.7 -38.1 157.7-158.0 -8.6 17.0 -21.7 47 48 A Y S > S+ 0 0 0 -9,-2.4 3,-2.5 -2,-0.3 110,-0.3 0.608 80.3 121.2 -81.5 -16.3 -5.5 14.9 -21.3 48 49 A K T 3 S+ 0 0 140 -10,-0.5 110,-0.2 1,-0.3 -2,-0.2 -0.309 89.7 5.5 -62.1 123.7 -4.3 14.7 -25.0 49 50 A G T 3 S+ 0 0 58 108,-3.7 -1,-0.3 1,-0.3 109,-0.2 0.524 102.2 139.2 80.2 9.7 -0.8 16.1 -25.2 50 51 A S < - 0 0 4 -3,-2.5 107,-2.3 107,-0.4 -1,-0.3 -0.365 47.8-109.9 -88.8 167.1 -0.5 16.6 -21.5 51 52 A C B -D 156 0A 6 14,-0.3 13,-1.1 105,-0.2 2,-0.7 -0.561 2.9-141.4 -97.6 149.3 2.4 16.0 -19.2 52 53 A F + 0 0 1 103,-2.0 103,-0.4 -2,-0.2 11,-0.2 -0.919 34.5 174.6 -98.1 96.5 3.3 13.4 -16.5 53 54 A H + 0 0 25 -2,-0.7 2,-0.4 1,-0.2 98,-0.4 0.721 58.3 40.2 -82.4 -24.5 5.0 16.1 -14.3 54 55 A R E +E 62 0A 63 8,-1.3 8,-2.9 96,-0.1 2,-0.5 -0.920 57.9 166.8-136.9 105.8 5.8 14.0 -11.2 55 56 A I E -E 61 0A 0 94,-2.4 91,-1.2 -2,-0.4 94,-0.4 -0.985 7.4-178.1-122.0 120.9 7.1 10.5 -11.3 56 57 A I E >> -E 60 0A 24 4,-2.5 3,-2.3 -2,-0.5 4,-1.4 -0.961 28.8-126.2-119.8 106.7 8.5 9.0 -8.1 57 58 A P T 34 S+ 0 0 61 0, 0.0 82,-0.0 0, 0.0 86,-0.0 -0.292 94.7 18.8 -59.5 139.0 9.8 5.5 -8.4 58 59 A G T 34 S+ 0 0 51 1,-0.1 56,-0.0 57,-0.1 84,-0.0 0.281 129.2 52.7 82.1 -6.1 8.4 3.0 -6.0 59 60 A F T <4 S- 0 0 43 -3,-2.3 56,-2.2 1,-0.2 57,-0.7 0.692 104.0 -54.4-120.3 -73.4 5.5 5.4 -5.3 60 61 A M E < -EF 56 114A 0 -4,-1.4 -4,-2.5 54,-0.3 2,-0.5 -0.989 27.1-116.0-173.0 158.8 3.4 6.8 -8.2 61 62 A C E -EF 55 113A 0 52,-2.8 52,-3.2 -2,-0.3 2,-0.4 -0.962 35.0-169.3-107.2 119.0 3.1 8.5 -11.6 62 63 A Q E +EF 54 112A 0 -8,-2.9 -8,-1.3 -2,-0.5 2,-0.2 -0.875 22.9 122.8-110.3 141.2 1.1 11.8 -11.4 63 64 A G E + F 0 111A 0 48,-2.1 48,-1.7 -2,-0.4 -11,-0.2 -0.817 16.9 112.8-159.3-152.2 -0.2 13.9 -14.3 64 65 A G + 0 0 0 -13,-1.1 2,-1.6 46,-0.3 -12,-0.1 0.490 42.6 133.4 86.9 6.6 -3.3 15.4 -15.8 65 66 A D > + 0 0 1 -14,-0.5 4,-1.5 1,-0.2 -14,-0.3 -0.633 22.0 162.8 -84.7 79.1 -2.3 19.0 -15.2 66 67 A F T 4 + 0 0 33 -2,-1.6 -1,-0.2 1,-0.2 -20,-0.1 0.358 66.0 49.2 -86.7 7.3 -3.2 20.1 -18.7 67 68 A T T 4 S+ 0 0 65 -3,-0.1 -1,-0.2 -17,-0.0 -2,-0.1 0.724 128.3 13.2-115.2 -34.5 -3.3 23.8 -17.9 68 69 A R T 4 S- 0 0 141 0, 0.0 -2,-0.2 0, 0.0 -3,-0.0 0.514 82.0-145.0-119.7 -9.5 -0.1 24.5 -16.0 69 70 A H S < S+ 0 0 99 -4,-1.5 -3,-0.1 1,-0.1 -17,-0.0 0.567 81.5 75.2 66.6 14.1 1.9 21.3 -16.7 70 71 A N S S- 0 0 83 -19,-0.0 -1,-0.1 -7,-0.0 -4,-0.1 0.348 112.4 -87.8-142.4 1.4 3.6 21.4 -13.3 71 72 A G S S+ 0 0 8 -6,-0.1 -2,-0.0 95,-0.0 -8,-0.0 0.381 106.3 91.4 104.7 -2.4 1.1 20.3 -10.6 72 73 A T S S+ 0 0 83 -7,-0.1 2,-0.2 30,-0.0 30,-0.0 0.265 86.7 37.0-105.5 10.5 -0.4 23.6 -9.8 73 74 A G + 0 0 10 2,-0.0 37,-0.3 35,-0.0 36,-0.3 -0.610 48.8 119.3-143.4-161.6 -3.3 23.4 -12.3 74 75 A G - 0 0 9 -2,-0.2 2,-0.3 -9,-0.2 -9,-0.1 -0.372 35.7-134.8 114.1 164.1 -6.0 21.4 -14.1 75 76 A K - 0 0 89 -2,-0.1 5,-0.2 33,-0.1 33,-0.2 -0.982 8.8-128.1-157.2 150.8 -9.8 21.5 -14.3 76 77 A S B > -I 79 0B 2 3,-1.9 3,-1.2 -2,-0.3 33,-0.1 -0.444 30.3-112.4 -92.2 167.0 -12.7 19.2 -14.1 77 78 A I T 3 S+ 0 0 34 1,-0.2 3,-0.1 31,-0.2 -1,-0.1 0.647 119.9 56.7 -68.5 -13.1 -15.6 18.8 -16.6 78 79 A Y T 3 S- 0 0 84 1,-0.5 -1,-0.2 30,-0.1 2,-0.2 0.222 128.2 -70.3-100.7 12.4 -17.7 20.2 -13.6 79 80 A G B < S-I 76 0B 37 -3,-1.2 -3,-1.9 1,-0.1 -1,-0.5 -0.646 78.9 -42.5 116.0 178.7 -15.7 23.4 -13.1 80 81 A E S S- 0 0 143 -5,-0.2 2,-0.3 -2,-0.2 -1,-0.1 0.817 123.7 -1.3 -53.7 -38.9 -12.3 24.2 -11.8 81 82 A K - 0 0 103 -3,-0.2 2,-0.3 -6,-0.2 27,-0.2 -0.965 64.4-161.2-148.1 162.7 -12.7 21.7 -9.0 82 83 A F B -J 107 0C 9 25,-2.1 25,-1.7 -2,-0.3 3,-0.1 -0.958 31.1 -79.6-145.3 164.7 -15.2 19.2 -7.5 83 84 A E - 0 0 82 -2,-0.3 2,-0.8 23,-0.1 3,-0.1 0.004 44.9-100.0 -56.8 160.0 -15.9 17.3 -4.3 84 85 A D - 0 0 21 1,-0.2 -1,-0.1 41,-0.0 3,-0.1 -0.813 40.2-155.5 -72.0 113.0 -14.4 14.2 -3.1 85 86 A E - 0 0 52 -2,-0.8 2,-0.3 1,-0.2 -1,-0.2 0.931 56.5 -44.8 -66.5 -51.5 -17.3 12.0 -4.3 86 87 A N - 0 0 39 -3,-0.1 -1,-0.2 -58,-0.0 41,-0.1 -0.937 36.6-131.3-161.8-179.5 -16.7 9.2 -1.8 87 88 A F + 0 0 63 -2,-0.3 36,-0.1 39,-0.1 38,-0.1 -0.043 62.3 124.8-129.6 30.2 -13.8 7.1 -0.3 88 89 A I + 0 0 107 -61,-0.1 2,-0.2 39,-0.1 -1,-0.1 0.893 64.0 62.0 -55.5 -46.5 -15.4 3.6 -0.7 89 90 A L S S- 0 0 34 38,-0.3 38,-0.5 -3,-0.1 34,-0.3 -0.560 75.8-145.9 -91.8 153.6 -12.4 2.3 -2.7 90 91 A K - 0 0 93 -2,-0.2 2,-1.9 32,-0.1 3,-0.2 -0.758 26.3-104.8-124.0 156.8 -8.9 1.9 -1.3 91 92 A H + 0 0 1 -2,-0.3 27,-0.7 28,-0.2 31,-0.1 -0.561 53.1 160.5 -80.8 81.1 -5.3 2.2 -2.4 92 93 A T - 0 0 95 -2,-1.9 -1,-0.2 25,-0.2 25,-0.2 0.660 52.7 -49.8 -85.1 -21.3 -4.7 -1.6 -2.4 93 94 A G S > S- 0 0 9 23,-0.3 3,-0.9 -3,-0.2 23,-0.4 -0.955 84.4 -19.0-177.8-162.2 -1.7 -2.0 -4.7 94 95 A P T 3 S+ 0 0 89 0, 0.0 21,-0.3 0, 0.0 3,-0.1 -0.488 114.5 34.6 -63.2 134.9 0.1 -1.1 -7.9 95 96 A G T 3 S+ 0 0 4 19,-4.0 36,-3.0 1,-0.4 2,-0.2 0.284 77.1 143.4 103.4 -8.1 -2.1 0.1 -10.8 96 97 A I E < -G 130 0A 14 -3,-0.9 18,-3.0 34,-0.2 2,-0.5 -0.458 39.7-149.1 -69.3 133.2 -4.6 2.0 -8.7 97 98 A L E +GH 129 113A 0 32,-2.6 31,-2.0 16,-0.2 32,-1.4 -0.933 27.1 165.8-105.6 125.6 -5.8 5.2 -10.3 98 99 A S E -GH 127 112A 0 14,-2.3 14,-2.6 -2,-0.5 2,-0.4 -0.925 37.8 -99.8-143.9 155.0 -6.7 8.0 -7.9 99 100 A M E - 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