==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 10-JAN-03 1NMK . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.KALLEN,R.SEDRANI,J.WAGNER . 330 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15306.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 215 65.2 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 . 101 30.6 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 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 2 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 . 27 8.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 32 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 39 11.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 2 0 0 0 2 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 . 5 0 4 6 0 0 1 3 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 2 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 0 224 0, 0.0 2,-0.1 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 171.1 55.5 -17.7 34.9 2 2 A V - 0 0 132 1,-0.1 0, 0.0 24,-0.0 0, 0.0 -0.343 360.0-105.7 -52.0 138.5 56.3 -14.5 36.9 3 3 A N - 0 0 21 1,-0.1 22,-0.1 -2,-0.1 -1,-0.1 -0.405 43.1-105.7 -65.5 141.6 53.5 -11.9 37.3 4 4 A P - 0 0 25 0, 0.0 20,-2.2 0, 0.0 2,-0.5 -0.303 23.5-141.2 -70.2 158.8 54.0 -8.8 35.1 5 5 A T E +AB 23 164A 21 159,-0.7 159,-3.1 18,-0.2 2,-0.3 -0.995 21.1 176.9-122.5 122.2 55.1 -5.4 36.3 6 6 A V E -AB 22 163A 0 16,-1.8 16,-2.9 -2,-0.5 2,-0.3 -0.816 9.6-158.2-117.6 164.2 53.6 -2.2 34.9 7 7 A F E -AB 21 162A 16 155,-2.1 155,-1.4 -2,-0.3 2,-0.4 -0.956 10.6-150.4-141.8 156.2 54.2 1.4 36.0 8 8 A F E -AB 20 161A 2 12,-2.4 12,-2.5 -2,-0.3 2,-0.7 -0.996 10.6-149.1-122.8 134.0 52.6 4.8 35.9 9 9 A D E -AB 19 160A 38 151,-3.2 150,-1.9 -2,-0.4 151,-1.2 -0.937 27.2-151.6 -99.3 115.7 54.7 8.1 35.8 10 10 A I E -AB 18 158A 4 8,-3.4 7,-3.2 -2,-0.7 8,-1.5 -0.709 14.5-171.2 -93.8 139.9 52.5 10.5 37.6 11 11 A A E -AB 16 157A 3 146,-2.6 146,-2.4 -2,-0.3 2,-0.5 -0.953 15.8-146.5-127.5 154.1 52.3 14.3 37.0 12 12 A V E > S-AB 15 156A 17 3,-2.9 3,-2.4 -2,-0.3 144,-0.2 -0.978 88.3 -20.2-118.9 117.8 50.6 17.2 38.8 13 13 A D T 3 S- 0 0 98 142,-2.8 -1,-0.2 -2,-0.5 143,-0.1 0.889 130.8 -51.5 44.2 45.2 49.5 20.0 36.6 14 14 A G T 3 S+ 0 0 60 141,-0.3 -1,-0.3 1,-0.2 142,-0.1 0.314 114.3 117.9 80.9 -7.9 52.0 18.7 34.0 15 15 A E E < S-A 12 0A 140 -3,-2.4 -3,-2.9 1,-0.1 -1,-0.2 -0.819 72.5-107.8 -97.1 132.2 54.9 18.6 36.4 16 16 A P E +A 11 0A 111 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.201 38.4 171.5 -58.4 138.9 56.5 15.2 37.1 17 17 A L E - 0 0 59 -7,-3.2 2,-0.3 1,-0.3 -6,-0.2 0.701 49.2 -83.8-113.7 -43.3 55.8 13.7 40.5 18 18 A G E -A 10 0A 24 -8,-1.5 -8,-3.4 2,-0.0 2,-0.4 -0.934 39.0 -69.3 157.5-179.0 57.1 10.2 40.3 19 19 A R E -A 9 0A 112 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.835 28.0-168.2-110.6 136.1 56.7 6.6 39.3 20 20 A V E -A 8 0A 4 -12,-2.5 -12,-2.4 -2,-0.4 2,-0.4 -0.993 11.6-158.2-121.0 136.6 54.5 4.0 40.9 21 21 A S E -AC 7 134A 10 113,-3.3 112,-3.5 -2,-0.4 113,-1.2 -0.896 6.1-164.9-118.6 145.9 54.9 0.3 40.0 22 22 A F E -AC 6 132A 0 -16,-2.9 -16,-1.8 -2,-0.4 2,-0.4 -0.971 17.1-140.4-131.1 144.9 52.5 -2.5 40.3 23 23 A E E -AC 5 131A 48 108,-2.5 108,-1.9 -2,-0.4 2,-0.5 -0.870 22.6-144.7 -94.5 132.4 52.5 -6.3 40.3 24 24 A L E - C 0 130A 0 -20,-2.2 2,-2.3 -2,-0.4 106,-0.3 -0.881 12.3-132.6-101.3 129.9 49.5 -7.8 38.4 25 25 A F >> + 0 0 31 104,-2.8 4,-2.8 -2,-0.5 3,-1.9 -0.393 43.7 156.5 -83.3 63.6 48.2 -11.0 39.8 26 26 A A T 34 + 0 0 35 -2,-2.3 -1,-0.2 1,-0.3 8,-0.1 0.731 68.6 62.5 -64.4 -19.4 48.0 -12.9 36.5 27 27 A D T 34 S+ 0 0 98 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.612 116.2 30.3 -81.0 -8.5 48.2 -16.2 38.3 28 28 A K T <4 S+ 0 0 100 -3,-1.9 -2,-0.2 101,-0.1 -1,-0.1 0.726 136.4 17.8-116.2 -39.9 44.9 -15.4 40.0 29 29 A V X + 0 0 0 -4,-2.8 4,-2.8 100,-0.1 5,-0.3 -0.584 67.8 168.2-136.2 71.7 42.9 -13.2 37.6 30 30 A P H > S+ 0 0 70 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.851 76.3 48.3 -57.3 -43.6 44.5 -13.6 34.2 31 31 A K H > S+ 0 0 68 2,-0.2 4,-1.9 1,-0.2 -5,-0.1 0.936 115.6 43.4 -66.5 -45.4 41.8 -12.0 32.2 32 32 A T H > S+ 0 0 0 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.917 115.6 49.1 -65.7 -43.3 41.6 -8.9 34.5 33 33 A A H X S+ 0 0 2 -4,-2.8 4,-2.3 2,-0.2 -1,-0.2 0.885 108.5 52.6 -62.3 -41.6 45.4 -8.6 34.7 34 34 A E H X S+ 0 0 72 -4,-2.2 4,-2.9 -5,-0.3 5,-0.3 0.921 106.6 54.3 -64.1 -41.4 45.9 -8.9 31.0 35 35 A N H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.929 111.5 43.6 -57.6 -49.2 43.4 -6.0 30.4 36 36 A F H X S+ 0 0 0 -4,-1.7 4,-1.5 2,-0.2 -1,-0.2 0.873 113.6 52.1 -64.2 -38.7 45.3 -3.7 32.7 37 37 A R H X S+ 0 0 30 -4,-2.3 4,-1.7 2,-0.2 3,-0.5 0.971 112.2 44.2 -61.6 -53.7 48.7 -4.7 31.3 38 38 A A H X S+ 0 0 1 -4,-2.9 4,-1.9 1,-0.3 5,-0.5 0.836 111.9 53.1 -63.7 -33.1 47.6 -4.1 27.7 39 39 A L H < S+ 0 0 1 -4,-2.1 9,-1.7 -5,-0.3 10,-0.5 0.816 109.2 50.8 -71.0 -27.1 46.0 -0.8 28.7 40 40 A S H < S+ 0 0 1 -4,-1.5 -2,-0.2 -3,-0.5 -1,-0.2 0.820 113.5 41.9 -79.5 -34.0 49.2 0.3 30.3 41 41 A T H < S- 0 0 47 -4,-1.7 -2,-0.2 121,-0.2 -1,-0.2 0.824 97.9-136.9 -79.7 -33.2 51.5 -0.5 27.3 42 42 A G >< + 0 0 31 -4,-1.9 3,-2.3 -5,-0.2 -3,-0.1 0.475 54.8 142.9 88.5 8.0 49.0 1.0 24.8 43 43 A E T 3 + 0 0 100 -5,-0.5 -4,-0.1 1,-0.3 4,-0.1 0.613 63.1 54.8 -63.5 -18.4 49.6 -2.0 22.5 44 44 A K T 3 S- 0 0 128 -6,-0.5 -1,-0.3 2,-0.5 3,-0.1 0.440 124.9 -95.6 -92.5 2.0 46.0 -2.3 21.2 45 45 A G S < S+ 0 0 70 -3,-2.3 2,-0.3 1,-0.2 -2,-0.2 0.390 100.1 57.8 102.7 -3.0 45.9 1.3 20.1 46 46 A F + 0 0 57 -8,-0.2 -2,-0.5 -4,-0.0 2,-0.3 -0.961 58.9 119.5-151.5 162.2 44.3 2.9 23.2 47 47 A G - 0 0 13 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.996 66.3 -47.9 164.7-169.2 45.0 3.1 26.9 48 48 A Y S > S+ 0 0 0 -9,-1.7 3,-2.7 -2,-0.3 110,-0.3 0.630 80.0 120.8 -72.8 -17.1 45.8 5.0 30.1 49 49 A K T 3 S+ 0 0 150 -10,-0.5 -2,-0.2 1,-0.3 110,-0.2 -0.274 86.6 7.9 -55.0 124.0 48.5 7.2 28.7 50 50 A G T 3 S+ 0 0 49 108,-2.8 -1,-0.3 1,-0.3 109,-0.1 0.364 100.8 123.4 87.0 -5.6 47.4 10.8 29.1 51 51 A S < - 0 0 0 -3,-2.7 107,-2.7 107,-0.2 -1,-0.3 -0.333 50.2-133.1 -85.1 170.3 44.3 10.1 31.3 52 52 A C B -D 157 0A 40 14,-0.4 2,-0.8 105,-0.2 13,-0.6 -0.753 17.3-107.8-123.1 167.4 43.7 11.5 34.8 53 53 A F E -E 64 0A 2 103,-2.7 103,-0.4 -2,-0.3 11,-0.3 -0.851 35.8-178.2 -91.0 110.7 42.7 10.5 38.3 54 54 A H E + 0 0 41 -2,-0.8 2,-0.4 9,-0.6 98,-0.3 0.715 65.6 39.0 -89.0 -17.8 39.2 11.9 38.5 55 55 A R E +E 63 0A 102 8,-1.4 8,-3.2 96,-0.1 2,-0.4 -0.960 60.9 169.3-138.5 115.1 38.3 10.9 42.1 56 56 A I E -E 62 0A 0 94,-2.3 91,-1.9 -2,-0.4 94,-0.4 -0.960 5.3-179.6-129.5 116.3 40.8 11.0 45.0 57 57 A I E >> -E 61 0A 36 4,-2.8 3,-2.1 -2,-0.4 4,-1.4 -0.937 30.2-125.4-119.0 107.0 39.6 10.6 48.6 58 58 A P T 34 S+ 0 0 54 0, 0.0 82,-0.0 0, 0.0 3,-0.0 -0.225 93.4 15.6 -54.4 136.6 42.4 10.7 51.2 59 59 A G T 34 S+ 0 0 52 1,-0.1 56,-0.0 57,-0.1 84,-0.0 0.437 130.0 50.4 79.1 2.1 42.6 7.7 53.5 60 60 A F T <4 S- 0 0 50 -3,-2.1 56,-2.6 1,-0.2 57,-0.5 0.526 105.8 -40.3-132.0 -71.6 40.4 5.6 51.2 61 61 A M E < -EF 57 115A 8 -4,-1.4 -4,-2.8 54,-0.3 2,-0.4 -0.989 26.6-131.4-163.2 165.1 41.3 5.5 47.5 62 62 A C E -EF 56 114A 0 52,-1.7 52,-2.7 -2,-0.3 2,-0.4 -0.993 30.1-166.6-121.6 120.1 42.5 7.0 44.2 63 63 A Q E +EF 55 113A 22 -8,-3.2 -8,-1.4 -2,-0.4 -9,-0.6 -0.877 21.7 134.0-111.8 140.1 40.4 6.2 41.1 64 64 A G E +EF 53 112A 0 48,-2.2 48,-1.8 -2,-0.4 -11,-0.2 -0.790 16.3 111.8-155.3-165.1 41.2 6.8 37.5 65 65 A G + 0 0 0 -13,-0.6 2,-1.2 46,-0.2 11,-0.3 0.469 37.3 131.3 105.8 0.8 41.1 5.1 34.1 66 66 A D + 0 0 4 -14,-0.5 -14,-0.4 1,-0.2 4,-0.3 -0.714 14.8 152.9 -88.1 91.0 38.6 7.0 32.0 67 67 A F + 0 0 25 -2,-1.2 -1,-0.2 -16,-0.1 -20,-0.1 0.315 65.9 56.7 -97.4 6.0 40.5 7.6 28.8 68 68 A T S S+ 0 0 58 -3,-0.1 -1,-0.1 8,-0.0 -2,-0.1 0.792 125.4 9.8-104.5 -38.7 37.3 7.8 26.6 69 69 A R S S- 0 0 162 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.586 81.5-145.3-114.8 -15.2 35.2 10.5 28.1 70 70 A H S S+ 0 0 111 -4,-0.3 -3,-0.1 1,-0.1 -4,-0.0 0.753 78.3 88.4 57.4 29.5 37.7 12.0 30.6 71 71 A N S S- 0 0 97 0, 0.0 -1,-0.1 0, 0.0 -4,-0.1 0.250 106.4 -94.7-138.4 11.1 34.9 12.7 33.1 72 72 A G S S+ 0 0 14 -6,-0.1 -5,-0.1 -17,-0.0 39,-0.0 0.383 108.7 84.4 91.5 -4.7 34.5 9.6 35.2 73 73 A T S S+ 0 0 85 -7,-0.1 2,-0.1 0, 0.0 -1,-0.0 0.572 83.8 56.7-107.0 -8.4 31.7 8.0 33.2 74 74 A G + 0 0 12 -8,-0.0 36,-0.3 2,-0.0 37,-0.2 -0.106 43.6 118.6-108.5-156.5 33.8 6.3 30.5 75 75 A G - 0 0 20 -9,-0.1 2,-0.3 35,-0.1 -9,-0.1 -0.299 32.9-149.4 112.8 157.1 36.5 3.7 29.8 76 76 A K - 0 0 75 -11,-0.3 5,-0.2 -2,-0.1 2,-0.2 -0.967 11.6-123.0-154.8 159.6 36.6 0.4 27.9 77 77 A S B > -I 80 0B 2 3,-2.1 3,-1.1 -2,-0.3 33,-0.1 -0.512 31.1-106.4 -99.6 172.8 38.4 -2.9 28.1 78 78 A I T 3 S+ 0 0 33 1,-0.2 3,-0.1 31,-0.2 -1,-0.1 0.543 120.6 53.4 -74.6 -6.8 40.5 -4.7 25.5 79 79 A Y T 3 S- 0 0 93 1,-0.5 2,-0.3 30,-0.1 -1,-0.2 0.441 126.5 -73.5-103.6 -2.3 37.7 -7.2 25.2 80 80 A G B < S-I 77 0B 28 -3,-1.1 -3,-2.1 1,-0.1 -1,-0.5 -0.831 73.8 -42.6 134.7-176.3 34.9 -4.6 24.5 81 81 A E S S+ 0 0 148 -2,-0.3 2,-0.3 -5,-0.2 -1,-0.1 0.860 123.3 11.3 -54.5 -39.8 32.9 -2.1 26.5 82 82 A K - 0 0 137 -3,-0.1 2,-0.3 -6,-0.1 27,-0.2 -0.971 62.1-168.2-141.6 150.1 32.5 -4.4 29.4 83 83 A F B -J 108 0C 5 25,-1.5 25,-1.6 -2,-0.3 3,-0.1 -0.941 33.3 -91.6-137.1 160.4 33.8 -7.8 30.7 84 84 A E - 0 0 78 -2,-0.3 2,-0.7 23,-0.2 3,-0.1 -0.172 40.7 -96.1 -72.1 159.7 32.7 -10.1 33.4 85 85 A D - 0 0 29 1,-0.2 -1,-0.1 41,-0.0 3,-0.1 -0.696 38.2-158.3 -71.3 113.2 33.7 -10.2 37.0 86 86 A E - 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