==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=24-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE/IMMUNOSUPPRESSANT 30-APR-98 1BCK . 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) . 7918.0 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 . 49 27.8 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 . 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 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 16 9.1 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 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 0 173 0, 0.0 2,-0.4 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 164.8 13.2 9.7 38.6 2 2 A V - 0 0 99 163,-0.1 24,-0.0 24,-0.0 163,-0.0 -0.990 360.0-110.3-135.9 138.8 11.5 12.8 39.9 3 3 A N - 0 0 20 -2,-0.4 22,-0.1 1,-0.1 2,-0.0 -0.513 41.0-109.4 -69.7 134.5 10.6 15.9 37.8 4 4 A P - 0 0 15 0, 0.0 20,-2.5 0, 0.0 2,-0.5 -0.332 25.2-149.2 -66.6 145.9 12.6 18.9 38.7 5 5 A T E -A 23 0A 5 18,-0.2 159,-3.4 16,-0.0 160,-2.0 -0.986 18.0-178.4-117.1 129.1 11.0 21.8 40.5 6 6 A V E -AB 22 163A 0 16,-2.1 16,-2.9 -2,-0.5 2,-0.3 -0.830 9.1-150.7-124.5 158.7 12.3 25.4 39.9 7 7 A F E -AB 21 162A 21 155,-2.3 155,-1.5 -2,-0.3 2,-0.4 -0.927 7.9-160.4-133.1 156.9 11.4 28.8 41.3 8 8 A F E -AB 20 161A 0 12,-2.1 12,-2.5 -2,-0.3 2,-0.6 -0.990 12.4-149.7-131.3 133.7 11.3 32.4 40.2 9 9 A D E -AB 19 160A 33 151,-3.1 150,-2.5 -2,-0.4 151,-1.1 -0.957 25.1-149.9-103.4 117.3 11.2 35.2 42.8 10 10 A I E -AB 18 158A 2 8,-3.1 7,-3.3 -2,-0.6 8,-1.1 -0.732 14.5-170.6 -95.2 143.1 9.4 38.0 41.0 11 11 A A E -AB 16 157A 5 146,-2.0 146,-2.3 -2,-0.3 2,-0.5 -0.962 13.3-149.3-130.3 145.5 9.9 41.7 41.7 12 12 A V E > S-AB 15 156A 17 3,-2.9 3,-2.4 -2,-0.3 144,-0.2 -0.978 85.9 -21.9-117.5 114.6 7.8 44.7 40.4 13 13 A D T 3 S- 0 0 97 142,-3.2 -1,-0.2 -2,-0.5 143,-0.1 0.894 131.5 -48.8 49.2 41.7 9.9 47.8 39.9 14 14 A G T 3 S+ 0 0 63 141,-0.3 -1,-0.3 1,-0.2 142,-0.1 0.355 113.8 120.4 83.8 -6.4 12.4 46.3 42.3 15 15 A E E < -A 12 0A 142 -3,-2.4 -3,-2.9 1,-0.0 -1,-0.2 -0.810 68.9-119.5 -93.4 121.6 9.8 45.4 45.0 16 16 A P E +A 11 0A 114 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.440 34.0 176.1 -63.3 130.4 9.7 41.7 45.7 17 17 A L E - 0 0 65 -7,-3.3 2,-0.3 1,-0.3 -6,-0.2 0.836 47.0 -76.1 -98.5 -56.5 6.2 40.3 44.9 18 18 A G E -A 10 0A 22 -8,-1.1 -8,-3.1 120,-0.0 2,-0.4 -0.984 43.3 -71.8 172.4-179.9 6.5 36.6 45.6 19 19 A R E -A 9 0A 123 -2,-0.3 2,-0.4 -10,-0.2 -10,-0.2 -0.822 27.6-167.1-105.6 136.7 7.7 33.1 44.5 20 20 A V E -A 8 0A 2 -12,-2.5 -12,-2.1 -2,-0.4 2,-0.4 -0.973 10.2-161.5-117.6 129.9 6.4 31.0 41.7 21 21 A S E -AC 7 134A 11 113,-2.6 112,-3.3 -2,-0.4 113,-1.5 -0.919 5.0-161.4-116.0 141.4 7.5 27.4 41.6 22 22 A F E -AC 6 132A 0 -16,-2.9 -16,-2.1 -2,-0.4 2,-0.5 -0.959 14.9-142.1-123.9 144.0 7.2 25.2 38.5 23 23 A E E -AC 5 131A 56 108,-2.9 108,-2.4 -2,-0.4 2,-0.5 -0.890 22.2-148.5-101.4 130.0 7.2 21.5 37.9 24 24 A L E - C 0 130A 0 -20,-2.5 2,-2.3 -2,-0.5 106,-0.3 -0.917 12.5-131.9-104.4 125.6 9.1 20.6 34.7 25 25 A F >> + 0 0 31 104,-2.3 4,-2.8 -2,-0.5 3,-1.6 -0.364 43.9 155.3 -76.7 67.7 7.9 17.5 32.8 26 26 A A T 34 + 0 0 19 -2,-2.3 -1,-0.2 1,-0.3 8,-0.1 0.761 69.5 63.7 -64.6 -26.2 11.4 16.0 32.3 27 27 A D T 34 S+ 0 0 84 -3,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.694 116.5 27.0 -73.1 -18.0 9.7 12.6 32.0 28 28 A K T <4 S+ 0 0 91 -3,-1.6 -2,-0.2 101,-0.1 -1,-0.2 0.711 138.9 19.4-113.6 -32.9 7.9 13.7 28.8 29 29 A V X + 0 0 0 -4,-2.8 4,-2.8 100,-0.2 5,-0.3 -0.503 69.3 167.6-137.8 67.7 10.1 16.4 27.3 30 30 A P H > S+ 0 0 70 0, 0.0 4,-2.6 0, 0.0 5,-0.2 0.852 75.3 48.4 -50.3 -47.2 13.5 15.8 28.8 31 31 A K H > S+ 0 0 51 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.917 115.8 43.2 -64.0 -44.0 15.5 18.1 26.5 32 32 A T H > S+ 0 0 0 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.899 115.5 49.1 -68.2 -42.9 13.1 21.1 26.8 33 33 A A H X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.2 -2,-0.2 0.915 110.6 50.8 -63.0 -44.2 12.8 20.6 30.6 34 34 A E H X S+ 0 0 72 -4,-2.6 4,-2.8 -5,-0.3 5,-0.3 0.893 107.0 54.3 -62.1 -42.2 16.6 20.4 31.0 35 35 A N H X S+ 0 0 0 -4,-1.9 4,-2.1 1,-0.2 -1,-0.2 0.949 112.0 43.3 -57.4 -50.3 17.1 23.6 29.0 36 36 A F H X S+ 0 0 0 -4,-1.9 4,-1.6 2,-0.2 -2,-0.2 0.909 114.0 51.3 -63.3 -42.3 14.7 25.5 31.3 37 37 A R H X S+ 0 0 28 -4,-2.6 4,-1.5 2,-0.2 3,-0.4 0.950 111.6 45.9 -60.8 -50.5 16.2 24.0 34.5 38 38 A A H X>S+ 0 0 1 -4,-2.8 4,-1.7 1,-0.2 5,-0.8 0.882 111.7 52.3 -60.9 -39.4 19.8 24.9 33.5 39 39 A L H <5S+ 0 0 1 -4,-2.1 9,-2.2 -5,-0.3 10,-0.5 0.796 107.9 52.7 -68.2 -27.1 18.7 28.4 32.5 40 40 A S H <5S+ 0 0 2 -4,-1.6 -1,-0.2 -3,-0.4 -2,-0.2 0.777 114.7 39.7 -77.9 -30.2 17.0 28.8 36.0 41 41 A T H <5S- 0 0 52 -4,-1.5 -2,-0.2 -3,-0.2 -1,-0.2 0.671 98.6-138.5 -89.0 -22.4 20.2 27.8 37.9 42 42 A G T ><5 + 0 0 29 -4,-1.7 3,-2.1 -5,-0.2 -3,-0.2 0.646 52.1 146.2 72.0 18.7 22.5 29.7 35.6 43 43 A E T 3 < + 0 0 99 -5,-0.8 -4,-0.1 1,-0.3 4,-0.1 0.675 64.0 58.4 -62.7 -18.1 25.0 26.9 35.7 44 44 A K T 3 S- 0 0 115 2,-0.6 -1,-0.3 -6,-0.4 3,-0.1 0.425 125.6 -97.1 -90.1 0.5 26.1 27.4 32.1 45 45 A G S < S+ 0 0 71 -3,-2.1 2,-0.3 1,-0.2 -2,-0.2 0.592 102.1 57.7 96.1 10.9 27.1 31.0 32.9 46 46 A F + 0 0 54 -8,-0.2 -2,-0.6 -4,-0.1 2,-0.3 -0.953 60.5 121.7-162.0 157.4 23.9 32.6 31.6 47 47 A G - 0 0 14 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.991 64.8 -50.8 172.9-163.9 20.3 32.4 32.5 48 48 A Y S > S+ 0 0 0 -9,-2.2 3,-2.9 -2,-0.3 110,-0.3 0.737 81.0 114.9 -75.3 -28.6 17.0 33.9 33.6 49 49 A K T 3 S+ 0 0 131 -10,-0.5 -2,-0.2 1,-0.3 110,-0.2 -0.215 89.0 11.7 -51.1 124.7 18.1 35.7 36.8 50 50 A G T 3 S+ 0 0 54 108,-3.2 -1,-0.3 1,-0.3 109,-0.1 0.221 101.0 120.6 91.5 -14.7 17.8 39.4 36.4 51 51 A S < - 0 0 1 -3,-2.9 107,-3.0 107,-0.2 -1,-0.3 -0.273 52.5-130.7 -78.5 171.7 15.7 39.2 33.1 52 52 A C B -D 157 0A 6 14,-0.3 2,-0.9 105,-0.2 13,-0.7 -0.729 16.7-113.1-124.0 164.0 12.2 40.5 32.7 53 53 A F - 0 0 2 103,-2.6 103,-0.4 -2,-0.2 11,-0.3 -0.896 37.2-177.2 -92.8 104.5 8.7 39.5 31.5 54 54 A H + 0 0 41 -2,-0.9 2,-0.4 9,-0.4 98,-0.3 0.565 62.7 39.0 -83.8 -10.7 8.6 41.8 28.4 55 55 A R E +E 63 0A 17 8,-1.4 8,-2.8 96,-0.1 2,-0.4 -0.922 59.8 169.0-147.8 114.1 5.1 41.0 27.2 56 56 A I E -E 62 0A 0 94,-2.4 91,-2.0 -2,-0.4 94,-0.3 -0.995 7.2-176.6-129.7 126.0 2.0 40.4 29.3 57 57 A I E >> -E 61 0A 12 4,-2.5 3,-2.0 -2,-0.4 4,-1.2 -0.976 31.0-121.3-125.2 109.4 -1.5 40.2 28.0 58 58 A P T 34 S+ 0 0 64 0, 0.0 3,-0.0 0, 0.0 82,-0.0 -0.221 96.4 14.5 -50.5 136.3 -4.3 39.8 30.6 59 59 A G T 34 S+ 0 0 51 1,-0.2 56,-0.0 57,-0.1 84,-0.0 0.447 128.6 56.7 75.8 0.4 -6.4 36.6 30.1 60 60 A F T <4 S- 0 0 4 -3,-2.0 56,-2.6 1,-0.2 57,-0.7 0.568 103.9 -58.6-121.3 -78.6 -3.8 35.2 27.7 61 61 A M E < -EF 57 115A 0 -4,-1.2 -4,-2.5 54,-0.3 2,-0.4 -0.983 26.1-117.8-167.4 170.3 -0.2 34.8 29.0 62 62 A C E -EF 56 114A 0 52,-1.8 52,-2.5 -2,-0.3 2,-0.4 -0.988 32.8-162.0-119.0 127.8 3.0 36.3 30.5 63 63 A Q E +EF 55 113A 0 -8,-2.8 -8,-1.4 -2,-0.4 -9,-0.4 -0.928 23.7 135.2-117.5 138.4 6.1 35.9 28.3 64 64 A G E + F 0 112A 1 48,-2.1 48,-1.9 -2,-0.4 -11,-0.2 -0.791 19.7 104.6-156.3-165.8 9.7 36.3 29.4 65 65 A G + 0 0 0 -13,-0.7 2,-1.5 46,-0.2 3,-0.1 0.499 40.6 130.9 99.4 1.1 13.1 34.7 29.0 66 66 A D > + 0 0 1 -14,-0.5 4,-0.8 1,-0.2 -14,-0.3 -0.675 20.5 162.5 -88.5 85.2 14.9 37.1 26.7 67 67 A F T 4 + 0 0 29 -2,-1.5 -1,-0.2 2,-0.1 -20,-0.1 0.565 70.0 46.2 -82.0 -4.8 18.1 37.5 28.7 68 68 A T T 4 S+ 0 0 67 -3,-0.1 -1,-0.1 -17,-0.0 -2,-0.1 0.886 129.1 13.9-100.5 -50.6 20.1 38.9 25.8 69 69 A R T 4 S- 0 0 130 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.624 79.5-150.2 -99.8 -20.0 18.0 41.5 24.0 70 70 A H S < S+ 0 0 93 -4,-0.8 -3,-0.1 1,-0.1 -4,-0.1 0.624 79.3 82.1 58.0 17.8 15.3 42.0 26.8 71 71 A N S S- 0 0 79 -7,-0.0 102,-0.1 -16,-0.0 -1,-0.1 0.342 113.0 -91.3-132.3 5.8 12.8 42.8 24.0 72 72 A G S S+ 0 0 0 -6,-0.1 102,-0.1 100,-0.1 39,-0.1 0.297 108.0 90.5 99.4 -8.2 11.6 39.5 22.7 73 73 A T S S+ 0 0 79 100,-0.1 2,-0.1 -7,-0.1 99,-0.1 0.493 84.4 43.3 -98.9 -2.3 14.2 39.2 19.9 74 74 A G + 0 0 17 2,-0.0 36,-0.4 99,-0.0 37,-0.3 -0.245 50.0 106.6-123.1-152.9 16.9 37.3 21.8 75 75 A G - 0 0 19 -9,-0.1 2,-0.3 34,-0.1 -9,-0.1 -0.078 40.1-140.8 95.7 159.6 17.8 34.6 24.1 76 76 A K - 0 0 77 33,-0.2 5,-0.2 -2,-0.1 6,-0.2 -0.983 11.5-116.0-154.1 158.1 19.5 31.2 23.5 77 77 A S B > -I 80 0B 2 3,-1.2 3,-0.7 4,-0.7 33,-0.1 -0.326 31.6-111.6 -87.3 175.0 19.2 27.6 24.6 78 78 A I T 3 S+ 0 0 36 1,-0.2 3,-0.1 31,-0.2 -1,-0.1 0.397 116.8 62.5 -85.2 -0.0 21.9 25.7 26.4 79 79 A Y T 3 S- 0 0 89 1,-0.5 2,-0.3 30,-0.1 -1,-0.2 0.325 125.1 -80.3-104.8 3.4 22.3 23.7 23.2 80 80 A G B < S-I 77 0B 27 -3,-0.7 -3,-1.2 1,-0.2 -1,-0.5 -0.903 82.2 -30.5 129.2-153.7 23.4 26.6 21.0 81 81 A E S S- 0 0 140 -2,-0.3 -4,-0.7 -5,-0.2 2,-0.3 0.948 121.1 -8.1 -65.1 -53.8 21.2 29.3 19.5 82 82 A K - 0 0 136 -3,-0.2 2,-0.3 -6,-0.2 27,-0.2 -0.954 60.6-154.4-144.4 158.8 18.0 27.2 18.9 83 83 A F B -J 108 0C 5 25,-2.1 25,-2.2 -2,-0.3 3,-0.1 -0.902 28.5 -87.1-135.9 163.4 16.7 23.7 19.1 84 84 A E - 0 0 94 -2,-0.3 2,-0.8 23,-0.2 3,-0.1 -0.104 45.8 -95.8 -62.3 159.7 14.0 21.4 17.6 85 85 A D - 0 0 25 1,-0.2 -1,-0.1 41,-0.0 3,-0.1 -0.766 38.1-156.0 -78.5 111.5 10.4 21.0 18.8 86 86 A E - 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