==== 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 06-SEP-95 1CWB . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR V.MIKOL,J.KALLEN,M.D.WALKINSHAW . 176 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7903.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 65.3 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 . 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 . 16 9.1 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 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 0 241 0, 0.0 2,-0.4 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 45.0 13.2 9.6 38.6 2 2 A V - 0 0 102 163,-0.1 163,-0.0 24,-0.0 24,-0.0 -0.993 360.0-113.8-144.0 139.2 11.5 12.8 39.8 3 3 A N - 0 0 29 -2,-0.4 22,-0.1 1,-0.1 0, 0.0 -0.628 41.1-107.8 -73.7 136.2 10.6 15.9 37.7 4 4 A P - 0 0 16 0, 0.0 20,-2.3 0, 0.0 2,-0.5 -0.281 23.0-148.3 -63.7 144.7 12.6 19.0 38.6 5 5 A T E -A 23 0A 6 18,-0.2 159,-2.4 16,-0.0 160,-1.9 -0.991 19.7-177.9-113.9 128.2 11.0 21.8 40.5 6 6 A V E -AB 22 163A 0 16,-1.9 16,-2.8 -2,-0.5 2,-0.3 -0.808 8.2-152.9-119.8 156.5 12.3 25.2 39.6 7 7 A F E -AB 21 162A 22 155,-2.4 155,-1.4 -2,-0.3 2,-0.4 -0.968 9.5-161.7-134.2 151.5 11.4 28.6 41.1 8 8 A F E -AB 20 161A 0 12,-2.2 12,-2.3 -2,-0.3 2,-0.6 -0.997 12.3-149.3-123.9 133.3 11.3 32.2 40.0 9 9 A D E -AB 19 160A 37 151,-2.9 150,-2.6 -2,-0.4 151,-0.9 -0.937 24.0-150.6 -96.5 122.7 11.1 35.1 42.6 10 10 A I E -AB 18 158A 2 8,-3.0 7,-3.1 -2,-0.6 8,-1.1 -0.710 15.0-173.5 -98.7 142.7 9.3 37.9 40.8 11 11 A A E -AB 16 157A 4 146,-2.2 146,-2.5 -2,-0.3 2,-0.5 -0.943 15.3-149.5-129.2 155.3 9.8 41.7 41.5 12 12 A V E > S-AB 15 156A 15 3,-3.0 3,-2.7 -2,-0.3 144,-0.2 -0.996 86.4 -18.1-126.5 118.5 7.9 44.6 40.1 13 13 A D T 3 S- 0 0 101 142,-2.6 -1,-0.1 -2,-0.5 143,-0.1 0.870 130.2 -51.1 43.5 44.4 10.1 47.7 39.8 14 14 A G T 3 S+ 0 0 64 141,-0.3 -1,-0.3 1,-0.2 142,-0.1 0.179 114.6 119.1 85.9 -18.0 12.6 46.2 42.2 15 15 A E E < -A 12 0A 141 -3,-2.7 -3,-3.0 1,-0.1 -1,-0.2 -0.684 69.7-118.4 -82.5 126.0 9.8 45.4 44.8 16 16 A P E +A 11 0A 110 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.442 32.5 177.2 -67.3 130.1 9.5 41.7 45.6 17 17 A L E - 0 0 60 -7,-3.1 2,-0.3 1,-0.3 -6,-0.2 0.850 46.9 -88.4 -98.9 -55.0 6.1 40.2 44.7 18 18 A G E -A 10 0A 25 -8,-1.1 -8,-3.0 120,-0.0 2,-0.4 -0.989 42.1 -59.9 165.7-174.1 6.6 36.5 45.5 19 19 A R E -A 9 0A 115 -2,-0.3 2,-0.5 -10,-0.2 119,-0.2 -0.834 27.9-166.4-107.5 135.2 7.6 33.0 44.4 20 20 A V E -A 8 0A 2 -12,-2.3 -12,-2.2 -2,-0.4 2,-0.4 -0.987 13.0-157.2-114.9 128.5 6.2 30.9 41.5 21 21 A S E -AC 7 134A 14 113,-2.6 112,-3.1 -2,-0.5 113,-1.5 -0.884 7.9-160.5-105.5 144.4 7.2 27.2 41.6 22 22 A F E -AC 6 132A 0 -16,-2.8 -16,-1.9 -2,-0.4 2,-0.5 -0.952 14.3-145.8-128.4 140.9 7.2 25.1 38.4 23 23 A E E -AC 5 131A 39 108,-2.8 108,-2.1 -2,-0.4 2,-0.5 -0.913 20.2-151.1 -99.5 128.3 7.1 21.5 37.7 24 24 A L E - C 0 130A 0 -20,-2.3 2,-2.4 -2,-0.5 106,-0.3 -0.866 12.7-134.7-104.4 125.4 9.0 20.6 34.6 25 25 A F >> + 0 0 25 104,-2.7 4,-3.2 -2,-0.5 3,-1.9 -0.329 42.8 155.2 -78.7 66.1 7.9 17.5 32.6 26 26 A A T 34 S+ 0 0 32 -2,-2.4 -1,-0.2 1,-0.3 8,-0.1 0.730 71.1 63.9 -64.6 -20.4 11.4 16.0 32.1 27 27 A D T 34 S+ 0 0 102 -3,-0.3 -1,-0.3 2,-0.2 -2,-0.1 0.674 116.2 27.1 -76.3 -18.9 9.7 12.6 31.8 28 28 A K T <4 S+ 0 0 86 -3,-1.9 -2,-0.2 101,-0.1 61,-0.1 0.730 139.5 19.0-109.7 -38.2 7.8 13.8 28.6 29 29 A V S X S+ 0 0 0 -4,-3.2 4,-2.7 100,-0.2 5,-0.3 -0.540 70.2 168.9-130.3 70.2 10.1 16.5 27.1 30 30 A P H > S+ 0 0 69 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.854 76.8 46.2 -51.2 -44.2 13.6 15.8 28.7 31 31 A K H > S+ 0 0 53 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.885 115.3 44.6 -76.4 -35.4 15.6 18.1 26.5 32 32 A T H > S+ 0 0 0 -3,-0.2 4,-2.0 2,-0.2 5,-0.2 0.921 115.9 48.8 -70.5 -44.3 13.2 21.2 26.7 33 33 A A H X S+ 0 0 0 -4,-2.7 4,-2.7 -8,-0.2 -2,-0.2 0.926 110.4 50.8 -58.0 -43.9 12.8 20.7 30.5 34 34 A E H X S+ 0 0 68 -4,-2.1 4,-3.0 -5,-0.3 5,-0.3 0.909 107.6 53.3 -62.7 -42.5 16.7 20.4 30.9 35 35 A N H X S+ 0 0 0 -4,-1.7 4,-2.2 1,-0.2 5,-0.2 0.956 113.0 43.2 -56.3 -53.4 17.2 23.7 28.9 36 36 A F H X S+ 0 0 0 -4,-2.0 4,-1.4 2,-0.2 -2,-0.2 0.901 114.8 50.5 -59.8 -45.7 14.8 25.5 31.2 37 37 A R H >X S+ 0 0 32 -4,-2.7 4,-1.7 2,-0.2 3,-0.7 0.978 112.7 44.7 -59.1 -55.1 16.3 23.9 34.4 38 38 A A H 3X>S+ 0 0 0 -4,-3.0 4,-1.8 1,-0.3 5,-0.7 0.857 112.3 52.3 -62.2 -32.5 19.9 24.8 33.4 39 39 A L H 3<5S+ 0 0 1 -4,-2.2 9,-2.4 -5,-0.3 10,-0.4 0.783 108.5 53.1 -72.5 -25.8 18.9 28.4 32.4 40 40 A S H <<5S+ 0 0 2 -4,-1.4 -2,-0.2 -3,-0.7 -1,-0.2 0.778 112.4 42.0 -79.0 -30.0 17.2 28.7 35.8 41 41 A T H <5S- 0 0 53 -4,-1.7 -2,-0.2 121,-0.2 -1,-0.2 0.764 97.9-139.0 -84.8 -21.6 20.3 27.6 37.8 42 42 A G T ><5 + 0 0 31 -4,-1.8 3,-2.0 -5,-0.2 -3,-0.2 0.602 54.0 143.7 77.2 13.5 22.7 29.8 35.5 43 43 A E T 3 < + 0 0 100 -5,-0.7 -4,-0.1 1,-0.3 4,-0.1 0.622 61.3 57.7 -69.4 -14.8 25.2 26.9 35.6 44 44 A K T 3 S- 0 0 115 2,-0.5 -1,-0.3 -6,-0.4 3,-0.1 0.396 126.3 -95.3 -90.8 3.6 26.4 27.3 32.0 45 45 A G S < S+ 0 0 71 -3,-2.0 2,-0.3 1,-0.2 -2,-0.2 0.427 102.9 60.1 99.0 -1.6 27.4 30.9 32.7 46 46 A F + 0 0 57 -4,-0.0 -2,-0.5 32,-0.0 2,-0.3 -0.976 59.6 115.3-151.7 158.4 24.2 32.5 31.5 47 47 A G - 0 0 17 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.999 64.7 -45.8 170.5-159.9 20.4 32.4 32.3 48 48 A Y S > S+ 0 0 0 -9,-2.4 3,-2.5 -2,-0.3 110,-0.3 0.700 80.0 113.0 -79.6 -25.8 17.2 33.8 33.5 49 49 A K T 3 S+ 0 0 134 -10,-0.4 110,-0.2 1,-0.3 -2,-0.2 -0.242 88.8 12.9 -53.6 128.5 18.2 35.7 36.7 50 50 A G T 3 S+ 0 0 49 108,-3.0 -1,-0.3 1,-0.3 109,-0.1 0.356 103.1 118.8 86.6 -8.5 17.9 39.5 36.3 51 51 A S < - 0 0 2 -3,-2.5 107,-2.7 107,-0.2 -1,-0.3 -0.440 52.5-127.6 -92.0 167.3 15.8 39.2 33.1 52 52 A C B -D 157 0A 8 14,-0.3 2,-0.8 105,-0.2 13,-0.5 -0.631 16.7-112.2-116.5 170.6 12.2 40.4 32.5 53 53 A F E -E 64 0A 2 103,-2.2 103,-0.5 -2,-0.2 11,-0.3 -0.886 37.6-179.1 -89.6 106.4 8.7 39.5 31.3 54 54 A H E + 0 0 35 9,-0.9 2,-0.4 -2,-0.8 98,-0.3 0.648 63.2 35.3 -89.4 -15.6 8.6 41.6 28.2 55 55 A R E +E 63 0A 21 8,-1.4 8,-3.4 96,-0.1 2,-0.4 -0.963 60.5 169.9-145.5 113.4 5.1 40.9 27.0 56 56 A I E -E 62 0A 0 94,-2.2 91,-1.9 -2,-0.4 94,-0.4 -0.993 6.9-176.9-129.0 127.2 2.0 40.3 29.2 57 57 A I E >> -E 61 0A 11 4,-2.7 3,-2.4 -2,-0.4 4,-1.3 -0.950 30.6-124.1-125.9 106.1 -1.5 40.1 27.9 58 58 A P T 34 S+ 0 0 61 0, 0.0 82,-0.0 0, 0.0 3,-0.0 -0.184 96.1 16.8 -48.7 137.6 -4.3 39.7 30.6 59 59 A G T 34 S+ 0 0 49 1,-0.1 56,-0.0 57,-0.0 84,-0.0 0.379 129.2 55.1 77.0 -8.3 -6.5 36.6 30.0 60 60 A F T <4 S- 0 0 3 -3,-2.4 56,-2.5 1,-0.3 57,-0.9 0.686 104.8 -57.4-120.9 -75.0 -3.9 35.1 27.6 61 61 A M E < -EF 57 115A 0 -4,-1.3 -4,-2.7 54,-0.3 2,-0.4 -0.968 26.9-117.7-166.4 168.7 -0.3 34.7 28.9 62 62 A C E -EF 56 114A 0 52,-1.7 52,-2.5 -2,-0.3 2,-0.4 -1.000 32.8-158.5-118.3 118.0 3.0 36.2 30.4 63 63 A Q E +EF 55 113A 0 -8,-3.4 -8,-1.4 -2,-0.4 -9,-0.9 -0.889 25.7 136.7-101.9 133.7 6.1 35.9 28.1 64 64 A G E +EF 53 112A 0 48,-2.1 48,-2.0 -2,-0.4 -11,-0.2 -0.673 20.7 102.4-148.2-159.5 9.7 36.0 29.2 65 65 A G + 0 0 0 -13,-0.5 2,-1.9 46,-0.3 3,-0.2 0.285 42.7 128.9 92.5 -7.8 13.2 34.4 28.8 66 66 A D > + 0 0 2 -14,-0.4 4,-0.9 1,-0.2 -14,-0.3 -0.501 21.6 159.8 -81.6 84.9 14.9 37.0 26.5 67 67 A F T 4 + 0 0 27 -2,-1.9 -1,-0.2 2,-0.1 -20,-0.1 0.595 68.3 46.9 -80.2 -8.6 18.1 37.3 28.6 68 68 A T T 4 S+ 0 0 70 -3,-0.2 -1,-0.1 -17,-0.0 -2,-0.1 0.890 131.2 10.5 -98.1 -51.0 20.3 38.7 25.8 69 69 A R T 4 S- 0 0 160 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.619 82.3-146.7-104.8 -10.7 18.2 41.5 24.1 70 70 A H S < S+ 0 0 86 -4,-0.9 -3,-0.1 1,-0.1 -4,-0.1 0.707 78.5 79.7 59.8 23.6 15.3 41.8 26.7 71 71 A N S S- 0 0 96 -7,-0.0 102,-0.2 -16,-0.0 -1,-0.1 0.379 114.0 -83.2-142.7 3.6 12.7 42.6 24.0 72 72 A G S S+ 0 0 0 100,-0.1 102,-0.1 -6,-0.1 39,-0.1 0.284 110.3 85.8 106.1 -12.1 11.6 39.4 22.3 73 73 A T S S+ 0 0 59 99,-0.1 2,-0.1 -7,-0.1 99,-0.1 0.669 84.8 42.0 -99.2 -9.2 14.5 39.1 19.8 74 74 A G + 0 0 12 -8,-0.1 36,-0.3 2,-0.0 37,-0.2 -0.140 51.7 104.7-117.4-151.5 17.2 37.3 21.7 75 75 A G - 0 0 1 -9,-0.2 2,-0.3 34,-0.1 -9,-0.1 -0.147 40.8-147.7 92.9 163.4 18.0 34.5 24.1 76 76 A K - 0 0 79 33,-0.1 5,-0.2 -2,-0.1 33,-0.2 -0.973 14.8-109.0-156.9 163.8 19.6 31.1 23.3 77 77 A S B > -I 80 0B 1 3,-1.6 3,-0.5 4,-0.8 33,-0.1 -0.326 31.3-110.4 -87.6 179.6 19.4 27.5 24.5 78 78 A I T 3 S+ 0 0 34 31,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.462 118.6 59.2 -79.6 -4.2 22.1 25.6 26.4 79 79 A Y T 3 S- 0 0 92 1,-0.5 2,-0.3 30,-0.1 -1,-0.2 0.515 128.1 -69.6-102.5 -4.1 22.5 23.6 23.2 80 80 A G B < S-I 77 0B 37 -3,-0.5 -3,-1.6 1,-0.2 -1,-0.5 -0.909 81.9 -44.4 134.0-167.3 23.4 26.4 20.9 81 81 A E S S+ 0 0 104 -2,-0.3 -4,-0.8 -5,-0.2 2,-0.3 0.973 120.9 4.5 -64.7 -46.1 21.2 29.3 19.6 82 82 A K - 0 0 114 -6,-0.2 2,-0.3 -3,-0.1 27,-0.2 -0.864 61.9-164.0-135.7 161.5 18.1 27.1 18.8 83 83 A F B -J 108 0C 7 25,-1.7 25,-2.3 -2,-0.3 3,-0.1 -0.943 30.6 -81.4-144.8 165.7 16.9 23.6 19.1 84 84 A E - 0 0 91 -2,-0.3 2,-0.8 23,-0.2 3,-0.1 -0.057 43.7 -98.3 -59.6 160.7 14.2 21.3 17.7 85 85 A D - 0 0 27 1,-0.2 -1,-0.1 41,-0.0 3,-0.1 -0.764 38.0-158.7 -82.6 112.4 10.5 20.9 18.7 86 86 A E - 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