==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=15-APR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE 07-JUN-11 3B09 . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: SHEWANELLA; . AUTHOR C.BUDIMAN,C.ANGKAWIDJAJA,H.MOTOIKE,Y.KOGA,K.TAKANO,S.KANAYA . 65 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6235.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 43 66.2 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 . 0 0.0 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 . 0 0.0 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-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 . 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 . 2 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 2 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 38 58.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.5 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 0 0 0 0 2 0 0 0 0 0 0 0 1 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 . 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 3 A D 0 0 169 0, 0.0 5,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 -66.5 1.8 24.1 15.2 2 4 A L + 0 0 159 2,-0.1 2,-0.2 3,-0.0 0, 0.0 0.749 360.0 67.7 -38.2 -34.3 4.8 23.3 13.0 3 5 A F S S- 0 0 148 1,-0.0 2,-0.3 4,-0.0 3,-0.2 -0.442 97.5-126.6 -94.6 160.8 4.3 20.4 15.4 4 6 A S > + 0 0 60 1,-0.2 4,-3.2 -2,-0.2 5,-0.2 -0.283 56.0 143.7-104.7 42.6 1.3 18.3 15.0 5 7 A T H > + 0 0 60 -2,-0.3 4,-2.6 1,-0.2 5,-0.2 0.891 67.7 42.2 -64.7 -49.6 0.2 18.6 18.5 6 8 A X H > S+ 0 0 136 -3,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.922 119.0 48.1 -58.6 -47.1 -3.5 18.7 18.3 7 9 A E H > S+ 0 0 124 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.914 112.4 48.5 -58.8 -43.6 -3.5 15.9 15.6 8 10 A Q H X S+ 0 0 128 -4,-3.2 4,-2.5 2,-0.2 -2,-0.2 0.929 112.7 47.4 -64.7 -44.9 -1.1 13.8 17.7 9 11 A H H X S+ 0 0 124 -4,-2.6 4,-2.2 2,-0.2 -1,-0.2 0.919 113.5 47.0 -63.4 -46.4 -3.1 14.1 20.9 10 12 A A H X S+ 0 0 62 -4,-2.3 4,-2.2 1,-0.2 -2,-0.2 0.925 112.0 51.1 -61.0 -42.6 -6.4 13.4 19.2 11 13 A S H X S+ 0 0 79 -4,-2.6 4,-2.3 -5,-0.2 -1,-0.2 0.906 108.9 51.4 -60.0 -46.3 -4.8 10.4 17.4 12 14 A Y H X S+ 0 0 149 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.930 109.7 49.9 -58.1 -41.1 -3.6 9.1 20.8 13 15 A G H X S+ 0 0 38 -4,-2.2 4,-1.9 2,-0.2 -1,-0.2 0.839 107.3 53.7 -68.5 -33.1 -7.1 9.4 22.3 14 16 A V H X S+ 0 0 78 -4,-2.2 4,-2.0 2,-0.2 -1,-0.2 0.940 109.6 49.2 -63.3 -45.0 -8.6 7.5 19.4 15 17 A G H X S+ 0 0 37 -4,-2.3 4,-2.4 1,-0.2 -2,-0.2 0.919 107.6 54.8 -58.2 -46.8 -6.1 4.7 20.1 16 18 A R H X S+ 0 0 140 -4,-2.4 4,-2.7 1,-0.2 -1,-0.2 0.894 105.8 51.4 -54.9 -44.3 -7.0 4.8 23.8 17 19 A Q H X S+ 0 0 118 -4,-1.9 4,-1.9 1,-0.2 -1,-0.2 0.918 111.8 47.5 -61.0 -44.3 -10.7 4.3 23.0 18 20 A X H X S+ 0 0 94 -4,-2.0 4,-2.2 2,-0.2 -2,-0.2 0.873 111.9 49.7 -58.5 -44.2 -9.8 1.3 20.8 19 21 A G H X S+ 0 0 38 -4,-2.4 4,-2.2 2,-0.2 -2,-0.2 0.908 110.1 51.0 -65.7 -36.2 -7.5 -0.2 23.5 20 22 A E H X S+ 0 0 120 -4,-2.7 4,-1.3 2,-0.2 -2,-0.2 0.901 110.3 49.6 -64.7 -39.6 -10.2 0.2 26.1 21 23 A Q H X S+ 0 0 116 -4,-1.9 4,-1.6 1,-0.2 -2,-0.2 0.891 112.3 47.7 -68.9 -41.2 -12.7 -1.6 23.8 22 24 A L H < S+ 0 0 55 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.848 107.5 54.6 -63.3 -44.3 -10.2 -4.4 23.2 23 25 A A H < S+ 0 0 82 -4,-2.2 3,-0.4 1,-0.2 -1,-0.2 0.842 111.4 47.6 -63.4 -25.9 -9.5 -4.8 26.9 24 26 A A H < S+ 0 0 80 -4,-1.3 -1,-0.2 1,-0.2 -2,-0.2 0.787 129.6 17.8 -83.1 -38.3 -13.2 -5.2 27.5 25 27 A N S < S+ 0 0 138 -4,-1.6 -1,-0.2 -5,-0.1 -2,-0.2 -0.465 91.8 122.8-136.2 63.1 -13.9 -7.7 24.8 26 28 A S - 0 0 52 -3,-0.4 2,-0.3 4,-0.0 -3,-0.1 -0.423 55.4-111.7-102.3-172.7 -10.6 -9.3 23.7 27 29 A F > - 0 0 70 -2,-0.2 3,-1.8 38,-0.0 2,-0.1 -0.923 38.4 -89.1-118.3 157.0 -9.5 -13.0 23.7 28 30 A E T 3 S+ 0 0 193 -2,-0.3 0, 0.0 1,-0.3 0, 0.0 -0.377 115.0 22.9 -59.1 127.6 -7.0 -14.7 25.8 29 31 A G T 3 S+ 0 0 69 1,-0.2 -1,-0.3 -2,-0.1 0, 0.0 0.489 79.2 163.8 90.3 11.3 -3.6 -14.5 24.1 30 32 A I < - 0 0 44 -3,-1.8 2,-0.7 1,-0.1 -1,-0.2 -0.279 32.0-139.4 -65.2 134.0 -4.3 -11.4 22.0 31 33 A D > - 0 0 89 1,-0.2 4,-2.0 2,-0.0 3,-0.5 -0.923 10.1-160.9-107.5 106.7 -1.0 -10.0 20.7 32 34 A I H > S+ 0 0 80 -2,-0.7 4,-2.8 1,-0.2 5,-0.2 0.924 88.4 54.9 -62.7 -38.3 -0.9 -6.2 20.8 33 35 A P H > S+ 0 0 80 0, 0.0 4,-2.0 0, 0.0 -1,-0.2 0.866 109.5 49.0 -60.1 -34.4 2.0 -5.7 18.4 34 36 A A H > S+ 0 0 56 -3,-0.5 4,-2.4 2,-0.2 -2,-0.2 0.885 109.5 51.2 -71.8 -43.9 0.1 -7.8 15.8 35 37 A V H X S+ 0 0 58 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.920 111.0 49.9 -51.8 -50.1 -3.1 -5.7 16.3 36 38 A Q H X S+ 0 0 123 -4,-2.8 4,-2.0 1,-0.2 -2,-0.2 0.871 110.7 48.6 -58.3 -45.0 -0.9 -2.6 15.8 37 39 A A H X S+ 0 0 49 -4,-2.0 4,-2.5 -5,-0.2 -1,-0.2 0.876 111.2 49.8 -58.2 -49.0 0.6 -4.0 12.6 38 40 A G H X S+ 0 0 40 -4,-2.4 4,-2.5 2,-0.2 5,-0.3 0.900 110.6 50.9 -56.8 -42.4 -2.8 -4.9 11.2 39 41 A L H X S+ 0 0 92 -4,-2.3 4,-2.4 2,-0.2 -2,-0.2 0.935 113.7 43.4 -63.4 -47.3 -4.2 -1.5 12.0 40 42 A A H X S+ 0 0 54 -4,-2.0 4,-2.2 2,-0.2 6,-0.2 0.923 114.6 49.3 -65.3 -46.5 -1.3 0.3 10.2 41 43 A D H <>S+ 0 0 29 -4,-2.5 5,-2.5 2,-0.2 4,-0.3 0.934 114.9 44.1 -56.9 -54.3 -1.3 -2.0 7.2 42 44 A A H ><5S+ 0 0 76 -4,-2.5 3,-1.1 1,-0.2 -2,-0.2 0.889 111.1 53.1 -63.5 -42.4 -5.1 -1.7 6.7 43 45 A F H 3<5S+ 0 0 188 -4,-2.4 -1,-0.2 -5,-0.3 -2,-0.2 0.931 111.1 47.2 -55.8 -44.9 -5.1 2.1 7.2 44 46 A A T 3<5S- 0 0 76 -4,-2.2 -1,-0.2 -5,-0.2 -2,-0.2 0.471 114.5-118.8 -74.3 -6.1 -2.4 2.5 4.6 45 47 A G T < 5 + 0 0 69 -3,-1.1 -3,-0.2 -4,-0.3 2,-0.1 0.713 59.6 157.4 71.8 26.7 -4.3 0.2 2.2 46 48 A K < - 0 0 127 -5,-2.5 -1,-0.2 -6,-0.2 3,-0.1 -0.450 51.8 -88.1 -83.3 152.4 -1.4 -2.3 2.2 47 49 A E - 0 0 175 -2,-0.1 -1,-0.1 1,-0.1 2,-0.1 -0.295 52.6-100.7 -58.5 137.8 -1.8 -5.9 1.3 48 50 A S - 0 0 52 1,-0.2 -1,-0.1 2,-0.1 4,-0.1 -0.372 18.0-142.7 -62.9 137.0 -2.7 -8.1 4.3 49 51 A A S S+ 0 0 88 1,-0.1 2,-0.4 -3,-0.1 -1,-0.2 0.564 92.1 54.0 -70.1 -14.5 0.3 -10.0 5.7 50 52 A V S S- 0 0 58 3,-0.0 -1,-0.1 4,-0.0 -2,-0.1 -0.997 94.7-116.7-126.9 128.4 -2.1 -12.8 6.4 51 53 A S > - 0 0 58 -2,-0.4 4,-2.6 1,-0.1 5,-0.2 -0.212 24.5-116.6 -63.8 154.8 -4.3 -14.3 3.6 52 54 A X H > S+ 0 0 133 1,-0.2 4,-2.1 2,-0.2 -1,-0.1 0.833 118.0 54.8 -60.9 -32.5 -8.1 -14.0 4.1 53 55 A E H > S+ 0 0 161 2,-0.2 4,-1.7 1,-0.2 -1,-0.2 0.913 109.3 45.5 -68.0 -41.0 -8.2 -17.8 4.2 54 56 A E H > S+ 0 0 116 1,-0.2 4,-2.4 2,-0.2 -2,-0.2 0.882 111.0 54.3 -66.9 -40.5 -5.7 -17.9 7.1 55 57 A L H X S+ 0 0 47 -4,-2.6 4,-2.7 1,-0.2 -2,-0.2 0.911 107.9 49.1 -58.3 -50.5 -7.5 -15.1 8.9 56 58 A Q H X S+ 0 0 108 -4,-2.1 4,-2.3 2,-0.2 -1,-0.2 0.868 109.7 51.5 -56.3 -44.4 -10.8 -17.0 8.8 57 59 A V H X S+ 0 0 89 -4,-1.7 4,-2.7 2,-0.2 -2,-0.2 0.934 112.3 47.3 -57.5 -47.5 -9.2 -20.1 10.1 58 60 A A H X S+ 0 0 48 -4,-2.4 4,-2.4 1,-0.2 5,-0.2 0.895 112.8 47.4 -57.5 -49.5 -7.7 -18.1 13.0 59 61 A F H X S+ 0 0 114 -4,-2.7 4,-2.9 2,-0.2 -1,-0.2 0.882 113.3 48.9 -60.3 -47.7 -11.0 -16.4 13.8 60 62 A T H X S+ 0 0 55 -4,-2.3 4,-0.9 -5,-0.2 -2,-0.2 0.960 113.3 46.3 -58.3 -47.1 -12.8 -19.7 13.7 61 63 A E H < S+ 0 0 144 -4,-2.7 3,-0.2 1,-0.2 -2,-0.2 0.840 116.6 44.9 -62.7 -44.8 -10.3 -21.4 16.0 62 64 A I H < S+ 0 0 65 -4,-2.4 -1,-0.2 1,-0.2 -2,-0.2 0.952 98.9 70.0 -62.9 -46.2 -10.2 -18.5 18.4 63 65 A S H < S+ 0 0 78 -4,-2.9 2,-1.6 -5,-0.2 -1,-0.2 0.732 83.8 80.5 -48.5 -37.5 -14.0 -18.0 18.5 64 66 A R < 0 0 186 -4,-0.9 -1,-0.2 -3,-0.2 -4,-0.0 -0.659 360.0 360.0 -72.9 85.9 -14.3 -21.3 20.4 65 67 A R 0 0 214 -2,-1.6 -1,-0.2 -38,-0.0 -2,-0.1 0.895 360.0 360.0 -66.0 360.0 -13.5 -20.4 24.0