==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 29-SEP-09 3K2C . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ENCEPHALITOZOON CUNICULI; . AUTHOR SSGCID . 703 8 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 30509.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 448 63.7 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 . 196 27.9 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 . 10 1.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 6 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 0.3 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 . 50 7.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 74 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 11.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), 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 . 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 2 0 0 0 4 0 0 0 4 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 . 10 0 8 12 0 0 8 0 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 4 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 -5 A T 0 0 197 0, 0.0 2,-0.2 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 117.7 39.5 20.1 -19.6 2 -4 A Q + 0 0 199 2,-0.0 0, 0.0 0, 0.0 0, 0.0 -0.517 360.0 86.5 -98.6 157.4 39.8 23.9 -19.9 3 -3 A G - 0 0 67 -2,-0.2 2,-0.1 2,-0.0 0, 0.0 -0.286 68.5 -72.7 136.1 153.9 37.3 26.6 -20.5 4 -2 A P - 0 0 137 0, 0.0 2,-0.3 0, 0.0 -2,-0.0 -0.340 43.0-134.0 -69.3 147.8 34.8 28.9 -18.9 5 -1 A G - 0 0 74 1,-0.1 3,-0.1 -2,-0.1 -2,-0.0 -0.694 20.3-109.1 -98.3 155.0 31.4 27.6 -17.6 6 0 A S - 0 0 118 -2,-0.3 2,-0.2 1,-0.1 -1,-0.1 -0.232 53.5 -73.3 -71.3 170.2 28.0 29.2 -18.1 7 1 A M 0 0 81 1,-0.1 -1,-0.1 168,-0.0 4,-0.1 -0.507 360.0 360.0 -73.1 129.5 26.1 30.8 -15.1 8 2 A A 0 0 106 -2,-0.2 3,-0.7 -3,-0.1 -1,-0.1 -0.336 360.0 360.0 -54.4 360.0 24.7 28.4 -12.5 9 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 10 5 A A > 0 0 60 0, 0.0 3,-1.8 0, 0.0 164,-0.3 0.000 360.0 360.0 360.0 -8.7 23.3 32.1 -8.9 11 6 A S T 3 + 0 0 103 -3,-0.7 164,-0.1 1,-0.3 3,-0.1 -0.318 360.0 30.9 -63.2 146.1 20.9 34.2 -11.0 12 7 A G T 3 S+ 0 0 17 162,-1.0 -1,-0.3 1,-0.3 163,-0.1 -0.010 89.7 127.4 90.1 -30.1 19.6 37.2 -9.1 13 8 A N < - 0 0 22 -3,-1.8 161,-2.7 160,-0.1 -1,-0.3 -0.250 48.4-147.2 -59.6 146.9 22.8 37.4 -7.1 14 9 A V E -AB 30 173A 0 16,-2.4 16,-3.0 159,-0.2 2,-0.3 -0.802 9.7-155.7-117.8 160.0 24.4 40.9 -7.2 15 10 A Y E -AB 29 172A 37 157,-2.3 157,-1.5 -2,-0.3 2,-0.4 -0.958 10.7-158.5-135.2 152.0 28.0 42.1 -7.1 16 11 A F E -AB 28 171A 0 12,-2.3 12,-2.4 -2,-0.3 2,-0.7 -0.999 11.1-151.8-121.4 126.5 30.0 45.0 -6.2 17 12 A D E -AB 27 170A 33 153,-2.7 152,-1.6 -2,-0.4 153,-1.1 -0.902 27.3-155.1 -91.8 112.8 33.5 45.6 -7.6 18 13 A V E -AB 26 168A 0 8,-2.3 7,-3.4 -2,-0.7 8,-1.2 -0.693 14.4-174.7-103.2 134.9 35.2 47.6 -4.9 19 14 A Y E -AB 24 167A 61 148,-2.3 148,-2.5 -2,-0.3 2,-0.7 -0.954 25.1-147.9-127.8 140.3 38.1 50.0 -5.3 20 15 A A E > S-AB 23 166A 4 3,-3.3 3,-2.4 -2,-0.3 2,-0.3 -0.931 83.5 -50.9-104.8 107.5 40.3 52.0 -2.9 21 16 A N T 3 S- 0 0 64 144,-2.6 146,-0.2 -2,-0.7 143,-0.1 -0.533 125.1 -23.3 53.0-119.6 41.0 55.0 -5.2 22 17 A E T 3 S+ 0 0 136 -2,-0.3 2,-0.6 -3,-0.1 -1,-0.3 0.443 117.7 102.6 -97.3 7.5 42.2 53.2 -8.3 23 18 A E E < S-A 20 0A 134 -3,-2.4 -3,-3.3 1,-0.0 2,-0.3 -0.768 71.8-127.9 -95.8 125.7 43.3 50.0 -6.6 24 19 A S E -A 19 0A 60 -2,-0.6 -5,-0.3 -5,-0.2 3,-0.1 -0.482 21.5-175.9 -66.4 126.0 40.9 47.0 -6.9 25 20 A L E - 0 0 11 -7,-3.4 2,-0.2 1,-0.3 -6,-0.2 0.711 49.4-110.5 -90.3 -26.6 40.0 45.4 -3.6 26 21 A G E -A 18 0A 20 -8,-1.2 -8,-2.3 2,-0.0 2,-0.4 -0.698 40.3 -47.1 127.5-169.4 38.1 42.7 -5.3 27 22 A R E -A 17 0A 104 -2,-0.2 2,-0.4 -10,-0.2 119,-0.2 -0.816 32.0-161.7-107.7 136.1 34.5 41.5 -5.8 28 23 A I E -A 16 0A 0 -12,-2.4 -12,-2.3 -2,-0.4 2,-0.4 -0.959 11.0-165.5-109.0 130.1 31.7 41.0 -3.2 29 24 A V E -AC 15 142A 2 113,-2.3 112,-2.5 -2,-0.4 113,-1.5 -0.966 6.6-164.5-117.9 134.6 28.8 38.8 -4.3 30 25 A M E -AC 14 140A 0 -16,-3.0 -16,-2.4 -2,-0.4 2,-0.5 -0.955 14.3-146.9-126.2 136.3 25.6 38.9 -2.4 31 26 A K E - C 0 139A 88 108,-2.5 108,-2.3 -2,-0.4 2,-0.3 -0.888 21.0-148.8 -95.1 131.2 22.6 36.6 -2.3 32 27 A L E - C 0 138A 1 -2,-0.5 2,-1.4 106,-0.2 106,-0.3 -0.811 14.1-130.1-103.8 146.5 19.3 38.4 -1.6 33 28 A E >> + 0 0 40 104,-2.9 4,-3.0 -2,-0.3 3,-0.9 -0.482 40.0 160.6 -95.6 64.5 16.3 36.8 0.2 34 29 A D T 34 S+ 0 0 53 -2,-1.4 -1,-0.2 1,-0.2 8,-0.1 0.815 72.3 56.0 -53.3 -36.5 13.6 37.6 -2.4 35 30 A D T 34 S+ 0 0 165 -3,-0.2 -1,-0.2 2,-0.2 -2,-0.1 0.859 118.2 33.6 -68.4 -29.8 11.2 35.0 -1.0 36 31 A I T <4 S+ 0 0 38 -3,-0.9 -2,-0.2 1,-0.2 -1,-0.1 0.885 137.0 16.4 -94.2 -41.1 11.4 36.5 2.6 37 32 A V S X S+ 0 0 0 -4,-3.0 4,-2.7 100,-0.1 5,-0.2 -0.644 71.1 167.5-135.5 74.8 11.8 40.2 1.9 38 33 A P H > S+ 0 0 63 0, 0.0 4,-2.1 0, 0.0 -1,-0.1 0.830 75.9 43.4 -64.8 -40.7 10.7 40.8 -1.8 39 34 A K H > S+ 0 0 109 2,-0.2 4,-1.8 1,-0.2 5,-0.1 0.831 115.2 48.9 -76.0 -32.9 10.4 44.6 -1.8 40 35 A T H > S+ 0 0 0 2,-0.2 4,-2.2 1,-0.2 5,-0.2 0.925 114.4 46.4 -69.1 -46.5 13.6 45.1 0.2 41 36 A A H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.922 112.2 51.8 -57.7 -44.8 15.5 42.7 -2.2 42 37 A K H X S+ 0 0 99 -4,-2.1 4,-2.5 -5,-0.2 5,-0.2 0.854 107.7 51.5 -60.1 -43.5 14.0 44.4 -5.2 43 38 A N H X S+ 0 0 0 -4,-1.8 4,-2.3 2,-0.2 -1,-0.2 0.965 114.1 42.8 -58.7 -55.3 15.1 47.8 -4.1 44 39 A F H X S+ 0 0 0 -4,-2.2 4,-1.7 2,-0.2 -2,-0.2 0.942 115.7 47.4 -61.0 -49.0 18.7 46.7 -3.6 45 40 A R H X S+ 0 0 38 -4,-2.9 4,-1.5 1,-0.2 3,-0.3 0.943 112.9 49.6 -57.6 -47.0 19.0 44.7 -6.8 46 41 A T H X S+ 0 0 25 -4,-2.5 4,-1.6 -5,-0.2 3,-0.3 0.908 107.9 53.0 -60.0 -44.0 17.4 47.5 -8.9 47 42 A L H < S+ 0 0 0 -4,-2.3 9,-2.1 1,-0.2 10,-0.5 0.797 107.6 53.2 -64.4 -25.6 19.8 50.0 -7.3 48 43 A C H < S+ 0 0 2 -4,-1.7 -1,-0.2 -3,-0.3 -2,-0.2 0.843 112.5 43.9 -71.2 -34.0 22.7 47.7 -8.4 49 44 A E H < S+ 0 0 123 -4,-1.5 -2,-0.2 -3,-0.3 -1,-0.2 0.667 94.4 95.7 -86.5 -22.5 21.4 47.6 -12.1 50 45 A R S < S- 0 0 97 -4,-1.6 7,-0.4 -5,-0.2 5,-0.1 -0.198 81.5 -95.7 -72.4 161.2 20.6 51.3 -12.5 51 46 A P > - 0 0 87 0, 0.0 3,-2.2 0, 0.0 4,-0.3 -0.246 55.2 -68.7 -74.1 168.6 23.1 53.8 -14.1 52 47 A K T 3 S+ 0 0 68 1,-0.3 6,-0.1 2,-0.2 4,-0.1 -0.213 124.2 24.9 -50.0 141.2 25.5 56.0 -12.2 53 48 A G T 3 S+ 0 0 56 4,-0.7 -1,-0.3 2,-0.5 3,-0.1 0.214 118.9 63.4 80.5 -13.1 23.7 58.7 -10.3 54 49 A E S < S- 0 0 108 -3,-2.2 2,-0.3 3,-0.1 -2,-0.2 0.253 115.7 -3.2-120.4 6.5 20.6 56.6 -10.1 55 50 A G S S- 0 0 1 -4,-0.3 -2,-0.5 2,-0.3 -7,-0.2 -0.861 100.9 -51.3-170.2-157.2 22.0 53.8 -8.0 56 51 A Y S > S+ 0 0 0 -9,-2.1 3,-2.5 -2,-0.3 112,-0.3 0.637 85.8 113.5 -76.9 -18.8 25.0 52.4 -6.4 57 52 A K T 3 S+ 0 0 82 -10,-0.5 -4,-0.7 -7,-0.4 -2,-0.3 -0.380 91.9 7.7 -60.1 121.6 27.4 52.5 -9.4 58 53 A G T 3 S+ 0 0 27 110,-3.1 -1,-0.3 1,-0.3 111,-0.2 0.494 104.2 123.1 83.7 6.1 30.1 55.0 -8.6 59 54 A S < - 0 0 1 -3,-2.5 109,-3.3 109,-0.4 -1,-0.3 -0.293 50.7-124.9 -90.8 178.6 29.0 55.5 -4.9 60 55 A T B -D 167 0A 13 14,-0.3 2,-0.9 107,-0.3 13,-0.7 -0.792 16.4-115.2-125.6 163.7 31.0 54.9 -1.8 61 56 A F E +E 72 0A 1 105,-2.3 105,-0.4 -2,-0.3 11,-0.3 -0.877 42.0 175.1 -90.2 103.7 31.3 53.2 1.6 62 57 A H E + 0 0 31 -2,-0.9 2,-0.4 9,-0.7 98,-0.2 0.613 60.5 43.6 -94.4 -9.2 31.1 56.3 3.7 63 58 A R E +E 71 0A 53 8,-1.4 8,-2.4 96,-0.1 2,-0.5 -0.960 65.1 175.1-142.1 109.8 31.1 54.9 7.3 64 59 A I E +E 70 0A 0 94,-2.0 91,-1.9 -2,-0.4 94,-0.3 -0.968 3.8 179.7-128.7 113.5 33.5 52.1 8.0 65 60 A I E >> -E 69 0A 16 4,-2.4 3,-2.2 -2,-0.5 4,-1.2 -0.915 25.2-132.8-121.8 101.6 33.9 50.8 11.6 66 61 A P T 34 S+ 0 0 66 0, 0.0 82,-0.0 0, 0.0 3,-0.0 -0.201 92.1 16.4 -52.5 134.5 36.4 47.9 12.2 67 62 A G T 34 S+ 0 0 72 1,-0.2 56,-0.0 57,-0.1 89,-0.0 0.358 129.6 50.9 85.0 -4.9 34.9 45.1 14.2 68 63 A F T <4 S- 0 0 13 -3,-2.2 56,-2.9 1,-0.2 57,-0.5 0.615 105.9 -55.0-128.3 -76.2 31.3 46.3 13.6 69 64 A M E < -EF 65 123A 0 -4,-1.2 -4,-2.4 54,-0.3 2,-0.4 -0.991 29.6-121.5-166.4 166.9 30.2 47.0 10.0 70 65 A V E -EF 64 122A 0 52,-2.3 52,-2.6 -2,-0.3 2,-0.4 -0.978 30.8-162.3-120.7 138.9 30.7 48.8 6.7 71 66 A Q E +EF 63 121A 0 -8,-2.4 -8,-1.4 -2,-0.4 -9,-0.7 -0.951 21.5 138.2-130.7 138.5 28.0 51.1 5.3 72 67 A G E +EF 61 120A 0 48,-2.0 48,-1.9 -2,-0.4 -11,-0.2 -0.721 24.8 108.5-148.8-160.8 27.2 52.6 1.9 73 68 A G + 0 0 0 -13,-0.7 2,-1.6 46,-0.3 11,-0.3 0.426 45.5 124.6 97.2 -0.5 24.3 53.3 -0.4 74 69 A D > + 0 0 0 -14,-0.5 4,-1.2 1,-0.2 -14,-0.3 -0.657 27.0 160.2 -88.5 80.0 24.2 57.1 0.0 75 70 A Y T 4 + 0 0 21 -2,-1.6 -1,-0.2 1,-0.2 -20,-0.1 0.476 66.2 48.3 -88.3 1.4 24.5 57.7 -3.7 76 71 A T T 4 S+ 0 0 83 -3,-0.1 -1,-0.2 -22,-0.1 -2,-0.1 0.766 129.5 12.0-103.5 -36.7 23.2 61.3 -3.6 77 72 A A T 4 S- 0 0 36 0, 0.0 -2,-0.2 0, 0.0 -3,-0.1 0.480 80.2-143.3-119.1 -15.7 25.1 62.9 -0.6 78 73 A H S < S+ 0 0 75 -4,-1.2 -3,-0.1 1,-0.1 -17,-0.0 0.749 81.1 80.1 61.8 23.5 27.9 60.4 0.1 79 74 A N S S- 0 0 90 -16,-0.0 -1,-0.1 -7,-0.0 -4,-0.1 0.414 109.9 -90.3-142.4 3.2 27.7 61.1 3.8 80 75 A G S S+ 0 0 0 277,-0.1 278,-2.8 -6,-0.1 39,-0.1 0.296 108.1 87.8 100.2 -9.2 24.8 59.2 5.4 81 76 A T S S+ 0 0 61 276,-0.2 2,-0.1 -7,-0.1 276,-0.0 0.571 86.7 42.3 -96.3 -7.6 22.2 61.9 5.0 82 77 A G + 0 0 12 276,-0.1 36,-0.3 2,-0.0 37,-0.2 -0.075 50.3 114.0-120.2-148.8 21.0 61.0 1.5 83 78 A G - 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