==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUN-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 12-JAN-10 2X2A . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE A; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.LAMMERS,H.NEUMANN,J.W.CHIN,L.C.JAMES . 329 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 13896.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 215 65.3 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 . 99 30.1 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 . 4 1.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.3 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 . 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 . 40 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 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 . 6 0 6 4 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,-0.1 0.000 360.0 360.0 360.0 123.5 3.3 -19.6 10.1 2 2 A V - 0 0 138 1,-0.1 0, 0.0 24,-0.0 0, 0.0 -0.373 360.0 -97.9 -45.9 139.5 6.3 -16.9 10.8 3 3 A N - 0 0 15 1,-0.1 22,-0.1 -2,-0.1 -1,-0.1 -0.248 40.4 -99.5 -67.7 152.5 9.4 -18.0 9.0 4 4 A P - 0 0 33 0, 0.0 20,-2.6 0, 0.0 2,-0.4 -0.369 33.1-148.8 -69.5 158.3 12.1 -19.8 10.8 5 5 A T E -A 23 0A 10 159,-0.4 159,-2.3 18,-0.2 2,-0.3 -0.957 11.7-171.0-130.6 141.5 15.3 -18.1 12.1 6 6 A V E -AB 22 163A 0 16,-2.1 16,-2.5 -2,-0.4 2,-0.4 -0.882 8.4-144.6-126.8 158.9 18.8 -19.4 12.5 7 7 A F E -AB 21 162A 23 155,-2.8 155,-1.7 -2,-0.3 2,-0.4 -0.956 6.8-162.1-128.0 149.7 22.0 -18.1 14.0 8 8 A F E -AB 20 161A 0 12,-2.7 12,-2.5 -2,-0.4 2,-0.7 -0.999 12.3-151.0-118.6 131.4 25.7 -18.2 13.3 9 9 A D E -AB 19 160A 44 151,-3.1 150,-2.1 -2,-0.4 151,-1.1 -0.904 24.4-151.3 -97.5 114.4 28.2 -17.4 16.1 10 10 A I E -AB 18 158A 2 8,-2.7 7,-3.3 -2,-0.7 8,-1.3 -0.718 14.0-171.5 -95.0 137.3 31.2 -16.0 14.2 11 11 A A E -AB 16 157A 3 146,-2.3 146,-2.3 -2,-0.3 2,-0.5 -0.926 16.8-146.4-126.2 151.6 34.9 -16.2 15.4 12 12 A V E > S-AB 15 156A 16 3,-2.6 3,-2.4 -2,-0.3 144,-0.2 -0.985 89.2 -21.4-118.7 113.9 38.0 -14.7 14.1 13 13 A D T 3 S- 0 0 107 142,-2.7 -1,-0.2 -2,-0.5 143,-0.1 0.905 130.7 -52.2 43.9 40.0 41.1 -17.0 14.6 14 14 A G T 3 S+ 0 0 58 141,-0.4 -1,-0.3 1,-0.2 142,-0.1 0.270 113.7 120.3 88.7 -12.7 38.9 -18.6 17.2 15 15 A E E < S-A 12 0A 134 -3,-2.4 -3,-2.6 1,-0.1 -1,-0.2 -0.754 72.1-109.8 -86.9 127.4 38.1 -15.4 19.1 16 16 A P E +A 11 0A 100 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.260 38.0 174.2 -59.3 133.3 34.3 -14.7 19.3 17 17 A L E - 0 0 62 -7,-3.3 2,-0.3 1,-0.4 -6,-0.2 0.810 50.0 -83.9-103.3 -54.0 33.3 -11.7 17.1 18 18 A G E -A 10 0A 25 -8,-1.3 -8,-2.7 120,-0.0 -1,-0.4 -0.971 44.8 -66.7 169.8-169.0 29.5 -11.8 17.4 19 19 A R E -A 9 0A 117 -2,-0.3 2,-0.4 -10,-0.2 119,-0.3 -0.903 24.6-164.1-115.4 141.6 26.3 -13.4 16.1 20 20 A V E -A 8 0A 0 -12,-2.5 -12,-2.7 -2,-0.4 2,-0.3 -0.991 13.0-166.2-117.6 128.1 24.5 -13.1 12.8 21 21 A S E -AC 7 134A 10 113,-2.6 112,-2.9 -2,-0.4 113,-0.6 -0.907 4.0-161.5-113.1 154.4 20.8 -14.2 12.7 22 22 A F E -AC 6 132A 0 -16,-2.5 -16,-2.1 -2,-0.3 2,-0.4 -0.982 18.1-138.8-139.2 137.8 18.8 -14.9 9.5 23 23 A E E -AC 5 131A 75 108,-2.9 108,-2.1 -2,-0.4 2,-0.5 -0.839 24.2-147.8 -86.3 133.7 15.2 -15.2 8.5 24 24 A L E - C 0 130A 0 -20,-2.6 2,-2.3 -2,-0.4 106,-0.3 -0.925 11.8-133.5-107.3 128.4 14.7 -18.1 6.1 25 25 A F >> + 0 0 35 104,-2.7 4,-2.7 -2,-0.5 3,-1.9 -0.358 43.9 154.7 -85.5 66.8 12.0 -17.5 3.5 26 26 A A T 34 + 0 0 33 -2,-2.3 -1,-0.2 1,-0.3 8,-0.1 0.713 67.4 67.0 -66.7 -22.1 10.3 -20.9 3.8 27 27 A D T 34 S+ 0 0 98 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.674 117.5 22.8 -69.2 -19.1 7.1 -19.3 2.7 28 28 A K T <4 S+ 0 0 92 -3,-1.9 -2,-0.2 101,-0.1 61,-0.1 0.663 138.9 22.6-115.1 -36.0 8.6 -18.8 -0.8 29 29 A V X + 0 0 0 -4,-2.7 4,-2.8 100,-0.2 5,-0.3 -0.569 68.0 164.9-136.2 67.4 11.5 -21.2 -1.1 30 30 A P H > S+ 0 0 68 0, 0.0 4,-2.3 0, 0.0 5,-0.1 0.867 73.7 48.1 -61.9 -39.7 10.7 -24.0 1.3 31 31 A K H > S+ 0 0 97 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.925 116.1 43.5 -67.6 -42.5 13.1 -26.7 0.0 32 32 A T H > S+ 0 0 0 2,-0.2 4,-1.8 1,-0.2 5,-0.2 0.900 114.3 50.6 -72.0 -39.4 16.1 -24.3 -0.1 33 33 A A H X S+ 0 0 1 -4,-2.8 4,-2.6 1,-0.2 -1,-0.2 0.908 109.1 52.7 -57.7 -46.8 15.2 -22.8 3.3 34 34 A E H X S+ 0 0 64 -4,-2.3 4,-2.7 -5,-0.3 5,-0.2 0.914 105.4 53.5 -60.6 -39.6 14.9 -26.2 4.8 35 35 A N H X S+ 0 0 0 -4,-1.9 4,-2.5 2,-0.2 -1,-0.2 0.936 112.0 43.9 -55.3 -54.6 18.4 -27.2 3.6 36 36 A F H X S+ 0 0 0 -4,-1.8 4,-1.7 2,-0.2 -2,-0.2 0.919 114.0 51.5 -61.9 -39.0 20.0 -24.2 5.2 37 37 A R H X S+ 0 0 32 -4,-2.6 4,-1.7 1,-0.2 -2,-0.2 0.943 112.4 44.2 -63.6 -52.6 18.1 -24.6 8.4 38 38 A A H X>S+ 0 0 0 -4,-2.7 4,-1.6 1,-0.2 5,-0.7 0.884 112.1 52.2 -62.2 -37.7 19.0 -28.3 8.7 39 39 A L H <5S+ 0 0 1 -4,-2.5 9,-2.0 -5,-0.2 10,-0.5 0.822 109.8 51.9 -67.9 -29.6 22.7 -27.6 7.9 40 40 A S H <5S+ 0 0 1 -4,-1.7 -2,-0.2 -5,-0.2 -1,-0.2 0.810 112.1 44.0 -76.4 -31.9 22.6 -24.9 10.6 41 41 A T H <5S- 0 0 46 -4,-1.7 -2,-0.2 121,-0.2 -1,-0.2 0.721 97.7-137.4 -81.9 -23.4 21.2 -27.3 13.3 42 42 A G T ><5 + 0 0 33 -4,-1.6 3,-2.3 4,-0.2 -3,-0.1 0.554 55.8 141.5 78.3 9.5 23.5 -30.2 12.4 43 43 A E T 3 < + 0 0 97 -5,-0.7 -4,-0.1 1,-0.3 4,-0.1 0.662 64.7 55.6 -62.4 -23.6 20.6 -32.6 12.7 44 44 A K T 3 S- 0 0 100 2,-0.5 -1,-0.3 -6,-0.4 3,-0.1 0.425 122.7-101.0 -83.1 -5.0 21.7 -34.7 9.8 45 45 A G S < S+ 0 0 72 -3,-2.3 2,-0.3 1,-0.3 -2,-0.1 0.502 99.5 57.7 94.3 3.0 25.1 -35.3 11.3 46 46 A F + 0 0 63 -4,-0.1 -2,-0.5 32,-0.0 2,-0.3 -0.958 61.2 106.7-152.7 164.9 26.9 -32.7 9.2 47 47 A G S S- 0 0 11 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.997 71.4 -34.8 153.7-162.1 26.6 -29.1 8.5 48 48 A Y S > S+ 0 0 0 -9,-2.0 3,-2.5 -2,-0.3 110,-0.3 0.663 82.0 114.9 -73.4 -21.3 27.9 -25.6 9.0 49 49 A K T 3 S+ 0 0 142 -10,-0.5 -2,-0.2 1,-0.3 110,-0.2 -0.323 89.6 10.2 -57.1 130.2 29.3 -25.8 12.5 50 50 A G T 3 S+ 0 0 49 108,-3.3 -1,-0.3 1,-0.3 109,-0.1 0.309 100.6 125.0 86.9 -7.6 33.0 -25.4 12.4 51 51 A S < - 0 0 0 -3,-2.5 107,-2.9 107,-0.3 -1,-0.3 -0.274 49.6-131.6 -80.6 175.1 33.1 -24.3 8.8 52 52 A C B -D 157 0A 6 14,-0.3 2,-1.0 105,-0.2 13,-0.6 -0.764 17.7-114.1-125.6 161.0 34.7 -21.1 7.4 53 53 A F + 0 0 1 103,-2.5 103,-0.4 -2,-0.3 11,-0.3 -0.866 38.5 177.8 -89.0 104.4 33.9 -18.2 5.1 54 54 A H + 0 0 15 -2,-1.0 2,-0.3 9,-0.5 98,-0.2 0.611 65.6 41.6 -91.6 -9.9 36.5 -19.1 2.5 55 55 A R E +E 63 0A 18 8,-1.8 8,-3.0 214,-0.1 2,-0.6 -0.849 60.9 169.9-142.9 100.5 35.7 -16.3 0.1 56 56 A I E -E 62 0A 0 94,-2.2 91,-2.0 -2,-0.3 94,-0.3 -0.947 7.5-176.4-113.6 114.3 35.0 -12.8 1.5 57 57 A I E >> -E 61 0A 8 4,-2.9 3,-2.5 -2,-0.6 4,-1.9 -0.892 27.2-131.2-115.2 99.3 34.8 -10.2 -1.3 58 58 A P T 34 S+ 0 0 55 0, 0.0 82,-0.0 0, 0.0 4,-0.0 -0.265 90.3 19.0 -64.3 135.9 34.3 -6.8 0.4 59 59 A G T 34 S+ 0 0 42 1,-0.1 56,-0.0 57,-0.0 84,-0.0 0.332 129.7 50.4 87.5 -3.5 31.6 -4.8 -1.1 60 60 A F T <4 S- 0 0 58 -3,-2.5 56,-2.4 1,-0.2 57,-0.6 0.622 108.9 -46.4-124.9 -68.6 30.0 -7.9 -2.8 61 61 A M E < -EF 57 115A 10 -4,-1.9 -4,-2.9 54,-0.3 2,-0.5 -0.992 30.1-119.9-166.5 163.5 29.5 -10.8 -0.5 62 62 A C E -EF 56 114A 0 52,-2.2 52,-2.4 -2,-0.3 2,-0.4 -0.970 36.5-163.7-114.9 114.6 30.7 -13.3 2.2 63 63 A Q E +EF 55 113A 7 -8,-3.0 -8,-1.8 -2,-0.5 -9,-0.5 -0.874 24.8 131.1-106.2 134.4 30.7 -16.8 0.8 64 64 A G E + F 0 112A 0 48,-2.3 48,-1.9 -2,-0.4 -11,-0.2 -0.703 16.4 109.2-151.1-157.4 30.8 -19.9 3.0 65 65 A G + 0 0 0 -13,-0.6 2,-1.5 46,-0.3 11,-0.3 0.471 41.7 129.2 92.5 0.6 29.2 -23.3 3.5 66 66 A D > + 0 0 1 -14,-0.5 4,-1.5 1,-0.2 -14,-0.3 -0.646 21.0 159.2 -87.2 87.0 31.9 -25.6 2.2 67 67 A F T 4 + 0 0 26 -2,-1.5 -1,-0.2 1,-0.2 -20,-0.1 0.449 66.9 52.4 -93.4 3.5 32.0 -27.9 5.2 68 68 A T T 4 S+ 0 0 46 -3,-0.1 -1,-0.2 -17,-0.0 -2,-0.1 0.808 129.5 9.3-102.3 -35.2 33.6 -30.8 3.4 69 69 A R T 4 S- 0 0 155 0, 0.0 -2,-0.2 0, 0.0 4,-0.1 0.502 82.7-141.0-122.2 -12.5 36.6 -29.2 1.8 70 70 A H S < S+ 0 0 88 -4,-1.5 -3,-0.1 1,-0.1 -5,-0.0 0.636 83.6 73.5 64.6 23.8 36.7 -25.7 3.3 71 71 A N S S- 0 0 39 198,-0.1 197,-0.2 -7,-0.0 -1,-0.1 0.415 112.7 -88.1-149.1 4.0 37.7 -24.1 0.0 72 72 A G S S+ 0 0 7 -6,-0.1 39,-0.1 197,-0.1 197,-0.1 0.171 107.4 92.3 103.4 -13.6 34.8 -23.9 -2.4 73 73 A T S S+ 0 0 44 -7,-0.1 2,-0.1 -4,-0.1 196,-0.0 0.515 87.6 37.1 -89.6 -8.5 35.4 -27.2 -4.0 74 74 A G + 0 0 17 2,-0.0 36,-0.2 -8,-0.0 37,-0.2 -0.332 53.5 117.6-122.7-150.4 33.1 -29.2 -1.7 75 75 A G - 0 0 15 -9,-0.1 2,-0.3 -2,-0.1 -9,-0.1 -0.149 33.3-145.8 99.8 159.6 29.9 -29.1 0.2 76 76 A K - 0 0 83 -11,-0.3 5,-0.2 -2,-0.1 33,-0.1 -0.975 10.9-127.6-157.0 147.8 26.7 -31.2 0.1 77 77 A S B > -I 80 0B 2 3,-1.9 3,-0.9 -2,-0.3 33,-0.1 -0.342 34.1-106.1 -84.3 176.3 23.0 -30.5 0.6 78 78 A I T 3 S+ 0 0 38 31,-0.2 3,-0.1 1,-0.2 -1,-0.1 0.527 121.4 56.5 -76.6 -5.1 20.7 -32.5 2.9 79 79 A Y T 3 S- 0 0 82 1,-0.5 2,-0.2 30,-0.1 -1,-0.2 0.186 126.1 -78.7-105.5 7.2 19.3 -33.9 -0.4 80 80 A G B < S-I 77 0B 38 -3,-0.9 -3,-1.9 1,-0.2 -1,-0.5 -0.727 79.1 -35.9 114.8-167.9 22.5 -35.3 -1.8 81 81 A E S S+ 0 0 109 -2,-0.2 2,-0.3 -5,-0.2 -4,-0.3 0.906 124.0 1.7 -58.4 -42.9 25.4 -33.6 -3.5 82 82 A K - 0 0 81 -3,-0.2 2,-0.3 -6,-0.1 27,-0.2 -0.935 58.1-159.7-141.7 166.3 23.1 -31.2 -5.3 83 83 A F B -J 108 0C 11 25,-1.8 25,-1.4 -2,-0.3 3,-0.1 -0.969 33.8 -93.1-142.9 158.9 19.5 -30.1 -5.8 84 84 A E - 0 0 135 -2,-0.3 2,-0.5 23,-0.1 3,-0.1 -0.209 47.6 -89.8 -72.2 155.6 17.7 -28.2 -8.4 85 85 A D - 0 0 20 1,-0.2 -1,-0.1 3,-0.0 3,-0.1 -0.526 38.4-157.6 -61.1 119.3 17.1 -24.5 -8.5 86 86 A E - 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