==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-OCT-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/IMMUNOSUPPRESSANT 26-MAY-98 1CWM . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.MIKOL,J.KALLEN,P.TAYLOR,M.D.WALKINSHAW . 176 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7730.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 114 64.8 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 . 51 29.0 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 . 15 8.5 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 . 3 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 0 179 0, 0.0 2,-0.3 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 136.6 13.2 9.8 38.5 2 2 A V - 0 0 103 163,-0.1 3,-0.0 3,-0.0 163,-0.0 -0.956 360.0-110.5-134.5 144.6 11.4 12.8 39.8 3 3 A N - 0 0 26 -2,-0.3 22,-0.1 1,-0.1 2,-0.1 -0.616 42.4-108.3 -74.2 137.1 10.4 15.8 37.6 4 4 A P - 0 0 16 0, 0.0 20,-2.6 0, 0.0 2,-0.4 -0.404 25.2-151.9 -67.9 145.6 12.4 18.9 38.5 5 5 A T E -A 23 0A 5 18,-0.2 159,-2.7 -2,-0.1 160,-1.6 -0.980 17.1-179.6-112.7 132.0 10.8 21.8 40.3 6 6 A V E -AB 22 163A 0 16,-1.8 16,-2.6 -2,-0.4 2,-0.3 -0.806 9.9-150.0-124.4 168.4 12.2 25.3 39.7 7 7 A F E -AB 21 162A 22 155,-2.3 155,-1.6 -2,-0.3 2,-0.4 -0.967 7.5-157.9-138.8 155.9 11.2 28.7 41.2 8 8 A F E -AB 20 161A 0 12,-2.4 12,-2.3 -2,-0.3 2,-0.6 -0.992 11.0-148.8-126.9 139.1 11.2 32.3 40.2 9 9 A D E -AB 19 160A 33 151,-3.3 150,-2.0 -2,-0.4 151,-1.3 -0.963 24.1-151.4-103.4 125.2 11.0 35.2 42.6 10 10 A I E -AB 18 158A 2 8,-2.8 7,-3.1 -2,-0.6 8,-1.0 -0.736 12.1-169.0 -96.8 142.9 9.1 38.0 40.8 11 11 A A E -AB 16 157A 4 146,-2.1 146,-2.1 -2,-0.3 2,-0.5 -0.935 14.3-148.7-128.9 153.4 9.7 41.7 41.5 12 12 A V E > S-AB 15 156A 15 3,-3.0 3,-2.5 -2,-0.3 144,-0.2 -0.987 87.4 -21.5-123.2 111.2 7.7 44.7 40.3 13 13 A D T 3 S- 0 0 90 142,-3.0 -1,-0.1 -2,-0.5 143,-0.1 0.905 129.7 -50.7 44.2 47.8 10.0 47.7 39.9 14 14 A G T 3 S+ 0 0 63 141,-0.4 -1,-0.3 1,-0.2 142,-0.1 0.329 113.3 122.3 78.0 -5.2 12.4 46.1 42.3 15 15 A E E < -A 12 0A 137 -3,-2.5 -3,-3.0 1,-0.0 -1,-0.2 -0.778 69.1-118.7 -88.1 123.0 9.7 45.4 44.9 16 16 A P E +A 11 0A 110 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.426 33.2 178.5 -61.8 129.9 9.5 41.6 45.6 17 17 A L E - 0 0 61 -7,-3.1 2,-0.3 1,-0.3 -6,-0.2 0.846 46.8 -85.4 -98.5 -56.6 6.1 40.2 44.8 18 18 A G E -A 10 0A 25 -8,-1.0 -8,-2.8 120,-0.0 2,-0.4 -0.968 42.7 -66.6 166.9-177.7 6.5 36.5 45.6 19 19 A R E -A 9 0A 119 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.819 29.0-169.0-104.0 138.2 7.6 33.1 44.4 20 20 A V E -A 8 0A 1 -12,-2.3 -12,-2.4 -2,-0.4 2,-0.4 -0.964 12.6-161.4-118.4 136.5 6.1 30.9 41.6 21 21 A S E -AC 7 134A 7 113,-2.7 112,-3.2 -2,-0.4 113,-1.2 -0.929 2.8-157.5-124.1 152.5 7.3 27.4 41.4 22 22 A F E -AC 6 132A 0 -16,-2.6 -16,-1.8 -2,-0.4 2,-0.5 -0.953 14.9-140.9-129.7 143.6 7.0 25.1 38.4 23 23 A E E -AC 5 131A 52 108,-2.7 108,-2.2 -2,-0.4 2,-0.5 -0.880 23.4-150.3 -96.2 133.3 7.0 21.4 37.8 24 24 A L E - C 0 130A 0 -20,-2.6 2,-2.3 -2,-0.5 106,-0.3 -0.906 12.6-133.1-108.9 132.5 8.9 20.6 34.6 25 25 A F >> + 0 0 32 104,-2.6 4,-2.9 -2,-0.5 3,-1.7 -0.380 41.3 157.9 -86.4 70.1 7.7 17.5 32.7 26 26 A A T 34 + 0 0 15 -2,-2.3 -1,-0.2 1,-0.3 8,-0.1 0.723 69.3 65.1 -68.1 -17.0 11.1 16.0 32.1 27 27 A D T 34 S+ 0 0 85 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.712 115.5 26.2 -77.2 -20.2 9.5 12.6 31.7 28 28 A K T <4 S+ 0 0 85 -3,-1.7 -2,-0.2 101,-0.1 61,-0.1 0.693 139.3 22.1-110.0 -35.9 7.6 13.7 28.5 29 29 A V X + 0 0 0 -4,-2.9 4,-2.6 100,-0.2 5,-0.3 -0.458 69.3 167.2-129.8 67.9 9.9 16.4 27.2 30 30 A P H > S+ 0 0 73 0, 0.0 4,-2.6 0, 0.0 5,-0.1 0.857 76.2 45.6 -52.4 -45.9 13.3 15.7 28.7 31 31 A K H > S+ 0 0 54 2,-0.2 4,-2.3 1,-0.2 5,-0.1 0.898 115.3 44.6 -69.3 -40.5 15.3 18.1 26.5 32 32 A T H > S+ 0 0 0 -3,-0.3 4,-1.8 2,-0.2 -1,-0.2 0.877 115.6 49.1 -69.7 -41.5 13.0 21.1 26.7 33 33 A A H X S+ 0 0 0 -4,-2.6 4,-2.7 2,-0.2 -2,-0.2 0.946 110.5 51.2 -63.0 -45.5 12.6 20.6 30.5 34 34 A E H X S+ 0 0 67 -4,-2.6 4,-2.8 -5,-0.3 5,-0.3 0.938 107.2 53.1 -59.0 -46.6 16.5 20.4 30.8 35 35 A N H X S+ 0 0 0 -4,-2.3 4,-2.0 1,-0.2 -1,-0.2 0.916 112.7 43.1 -51.0 -48.2 16.9 23.6 28.9 36 36 A F H X S+ 0 0 0 -4,-1.8 4,-1.5 2,-0.2 -1,-0.2 0.889 113.8 52.5 -72.8 -35.9 14.5 25.5 31.2 37 37 A R H X S+ 0 0 27 -4,-2.7 4,-1.9 2,-0.2 3,-0.3 0.953 111.3 44.8 -62.6 -50.5 16.0 23.9 34.3 38 38 A A H X>S+ 0 0 1 -4,-2.8 4,-1.4 1,-0.2 5,-0.6 0.861 112.3 52.2 -67.4 -32.5 19.6 24.8 33.5 39 39 A L H <5S+ 0 0 1 -4,-2.0 9,-1.8 -5,-0.3 10,-0.5 0.844 108.2 53.1 -70.5 -27.2 18.6 28.4 32.5 40 40 A S H <5S+ 0 0 2 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.863 113.5 41.5 -77.6 -33.3 16.8 28.8 35.9 41 41 A T H <5S- 0 0 51 -4,-1.9 -1,-0.2 121,-0.2 -2,-0.2 0.717 98.2-138.3 -82.9 -20.4 20.0 27.7 37.8 42 42 A G T ><5 + 0 0 32 -4,-1.4 3,-2.2 4,-0.2 -3,-0.2 0.537 54.7 142.9 76.4 9.3 22.3 29.8 35.6 43 43 A E T 3 < + 0 0 102 -5,-0.6 -4,-0.1 1,-0.3 4,-0.1 0.692 63.5 57.1 -62.3 -18.5 24.8 26.8 35.7 44 44 A K T 3 S- 0 0 117 2,-0.5 -1,-0.3 -6,-0.4 3,-0.1 0.369 126.7 -96.0 -89.2 1.9 25.9 27.4 32.0 45 45 A G S < S+ 0 0 71 -3,-2.2 2,-0.3 1,-0.2 -2,-0.2 0.555 101.6 56.6 97.5 5.8 27.0 30.9 32.7 46 46 A F + 0 0 54 -8,-0.2 -2,-0.5 -4,-0.1 2,-0.3 -0.970 58.8 118.5-157.9 162.6 23.7 32.6 31.6 47 47 A G - 0 0 15 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.993 66.3 -47.0 168.9-161.0 20.0 32.4 32.3 48 48 A Y S > S+ 0 0 0 -9,-1.8 3,-2.9 -2,-0.3 110,-0.3 0.679 80.2 116.8 -79.7 -20.7 16.8 34.0 33.6 49 49 A K T 3 S+ 0 0 135 -10,-0.5 -2,-0.2 1,-0.3 110,-0.2 -0.306 90.3 9.2 -58.1 127.4 18.0 35.7 36.8 50 50 A G T 3 S+ 0 0 53 108,-3.2 -1,-0.3 1,-0.3 109,-0.1 0.316 103.2 122.2 84.0 -2.8 17.6 39.4 36.4 51 51 A S < - 0 0 2 -3,-2.9 107,-2.9 107,-0.2 -1,-0.3 -0.332 51.8-125.0 -89.6 174.1 15.6 39.1 33.1 52 52 A C B -D 157 0A 4 14,-0.3 2,-0.9 105,-0.2 13,-0.6 -0.762 13.9-118.1-121.9 163.5 12.0 40.5 32.5 53 53 A F E -E 64 0A 2 103,-2.0 103,-0.4 -2,-0.3 11,-0.3 -0.883 36.2-178.8 -89.4 105.3 8.6 39.5 31.4 54 54 A H E + 0 0 36 -2,-0.9 2,-0.3 9,-0.6 98,-0.3 0.594 62.6 37.2 -90.6 -10.2 8.4 41.8 28.4 55 55 A R E +E 63 0A 20 8,-1.4 8,-3.1 96,-0.1 2,-0.4 -0.945 59.5 168.5-145.8 116.9 4.9 41.0 27.1 56 56 A I E -E 62 0A 0 94,-2.4 91,-1.9 -2,-0.3 94,-0.3 -0.998 8.2-174.8-133.3 124.0 1.8 40.3 29.4 57 57 A I E >> -E 61 0A 13 4,-2.5 3,-2.2 -2,-0.4 4,-1.1 -0.967 30.0-122.6-121.1 108.3 -1.6 40.2 27.9 58 58 A P T 34 S+ 0 0 61 0, 0.0 82,-0.0 0, 0.0 86,-0.0 -0.237 96.7 17.5 -47.7 133.3 -4.4 39.8 30.6 59 59 A G T 34 S+ 0 0 52 1,-0.1 56,-0.0 57,-0.0 84,-0.0 0.351 128.4 54.8 80.9 -6.6 -6.6 36.7 30.0 60 60 A F T <4 S- 0 0 3 -3,-2.2 56,-2.7 1,-0.2 57,-0.8 0.660 103.6 -61.6-118.8 -77.8 -4.0 35.2 27.7 61 61 A M E < -EF 57 115A 0 -4,-1.1 -4,-2.5 54,-0.3 2,-0.4 -0.973 27.1-112.6-167.3 170.9 -0.4 34.8 29.0 62 62 A C E -EF 56 114A 0 52,-1.7 52,-2.6 -2,-0.3 2,-0.4 -0.995 32.1-160.1-117.5 125.0 2.9 36.3 30.4 63 63 A Q E +EF 55 113A 0 -8,-3.1 -8,-1.4 -2,-0.4 -9,-0.6 -0.912 25.6 137.3-110.8 135.8 5.9 35.9 28.1 64 64 A G E +EF 53 112A 0 48,-2.2 48,-2.1 -2,-0.4 -11,-0.2 -0.766 21.0 103.1-153.2-162.9 9.5 36.2 29.3 65 65 A G + 0 0 0 -13,-0.6 2,-1.6 46,-0.3 11,-0.2 0.444 43.5 127.1 95.4 -2.4 12.9 34.5 28.9 66 66 A D > + 0 0 0 -14,-0.5 4,-1.0 1,-0.2 -14,-0.3 -0.590 22.3 159.2 -90.5 85.4 14.7 37.1 26.6 67 67 A F T 4 + 0 0 29 -2,-1.6 -1,-0.2 2,-0.2 -20,-0.1 0.628 68.6 47.3 -84.3 -9.8 17.8 37.5 28.7 68 68 A T T 4 S+ 0 0 52 -3,-0.2 -1,-0.1 -17,-0.0 -2,-0.1 0.910 131.5 10.9 -92.9 -52.3 20.0 38.9 25.9 69 69 A R T 4 S- 0 0 143 0, 0.0 -2,-0.2 0, 0.0 -3,-0.1 0.657 81.5-147.9-100.1 -16.2 17.8 41.5 24.2 70 70 A H S < S+ 0 0 86 -4,-1.0 -3,-0.1 1,-0.1 -4,-0.1 0.705 78.7 80.4 59.1 22.9 15.0 41.8 26.8 71 71 A N S S- 0 0 84 -7,-0.0 102,-0.2 -16,-0.0 -1,-0.1 0.298 112.8 -86.2-143.3 9.6 12.4 42.6 24.1 72 72 A G S S+ 0 0 0 100,-0.1 102,-0.1 -6,-0.1 39,-0.1 0.149 110.8 87.4 99.9 -19.3 11.3 39.4 22.3 73 73 A T S S+ 0 0 78 100,-0.1 2,-0.1 -7,-0.1 99,-0.1 0.599 87.3 36.8 -91.1 -7.2 14.2 39.3 19.8 74 74 A G + 0 0 15 -8,-0.0 36,-0.3 2,-0.0 37,-0.3 -0.219 51.8 105.6-123.1-144.1 16.8 37.4 21.8 75 75 A G - 0 0 3 -9,-0.2 2,-0.3 34,-0.1 -9,-0.1 -0.071 42.0-145.6 82.7 164.1 17.6 34.6 24.3 76 76 A K - 0 0 78 -11,-0.2 5,-0.2 33,-0.1 6,-0.2 -0.982 13.1-111.4-158.3 156.9 19.3 31.3 23.4 77 77 A S B > -I 80 0B 1 3,-1.2 3,-0.7 4,-0.6 33,-0.1 -0.294 31.8-108.7 -82.7 178.7 19.0 27.7 24.6 78 78 A I T 3 S+ 0 0 34 31,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.392 117.7 61.1 -82.1 -0.0 21.7 25.7 26.4 79 79 A Y T 3 S- 0 0 90 1,-0.6 2,-0.3 30,-0.1 -1,-0.2 0.482 127.7 -72.4-105.8 -1.4 22.1 23.7 23.2 80 80 A G B < S-I 77 0B 39 -3,-0.7 -3,-1.2 1,-0.1 -1,-0.6 -0.832 82.8 -41.2 127.0-172.4 23.2 26.6 21.0 81 81 A E S S+ 0 0 110 -2,-0.3 -4,-0.6 -5,-0.2 2,-0.3 0.887 120.8 0.2 -56.5 -43.2 20.9 29.5 19.7 82 82 A K - 0 0 115 -6,-0.2 2,-0.3 -3,-0.1 27,-0.2 -0.917 61.6-163.2-143.2 157.7 17.8 27.3 18.9 83 83 A F B -J 108 0C 8 25,-1.6 25,-2.1 -2,-0.3 3,-0.1 -0.921 30.8 -81.3-144.9 165.4 16.6 23.7 19.0 84 84 A E - 0 0 88 -2,-0.3 2,-0.9 23,-0.2 3,-0.1 -0.146 44.9 -95.9 -60.4 159.1 13.9 21.5 17.6 85 85 A D - 0 0 25 1,-0.2 -1,-0.1 41,-0.0 3,-0.1 -0.741 38.2-157.3 -80.3 109.9 10.2 21.0 18.7 86 86 A E - 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