==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 02-MAR-01 1I6C . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA- . SOURCE 2 SYNTHETIC: YES; . AUTHOR R.WINTJENS,J.-M.WIERUSZESKI,H.DROBECQ,G.LIPPENS,I.LANDRIEU . 39 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3401.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 18 46.2 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 . 10 25.6 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 5.1 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 . 1 2.6 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 . 6 15.4 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+3), SAME NUMBER PER 100 RESIDUES . 1 2.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 2.6 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 0 0 0 0 0 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 . 0 0 1 0 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 K 0 0 147 0, 0.0 19,-0.0 0, 0.0 26,-0.0 0.000 360.0 360.0 360.0 157.6 -45.5 10.7 45.9 2 2 A L + 0 0 2 28,-0.2 22,-0.2 1,-0.1 20,-0.1 0.841 360.0 111.6 -74.1 -66.8 -41.8 10.7 44.7 3 3 A P + 0 0 43 0, 0.0 2,-0.5 0, 0.0 3,-0.2 0.197 57.0 79.6 -65.8 -29.2 -39.6 12.9 42.7 4 4 A P S S+ 0 0 104 0, 0.0 19,-0.4 0, 0.0 18,-0.1 -0.374 122.1 7.1 -55.2 105.8 -36.6 14.7 44.6 5 5 A G S S+ 0 0 32 -2,-0.5 17,-3.0 1,-0.1 18,-0.4 0.956 103.8 149.0 70.8 82.2 -34.4 11.5 44.6 6 6 A W E -A 21 0A 106 15,-0.3 2,-0.3 -3,-0.2 15,-0.2 -0.937 27.0-178.1-132.4 166.7 -36.4 9.0 42.4 7 7 A E E -A 20 0A 88 13,-1.8 13,-2.0 -2,-0.3 2,-0.5 -0.903 32.5-122.3-154.3 141.7 -36.1 6.0 40.0 8 8 A K E -A 19 0A 113 -2,-0.3 2,-0.4 11,-0.2 11,-0.2 -0.663 46.7-167.9 -60.6 116.4 -38.5 3.7 37.9 9 9 A R E -A 18 0A 69 9,-2.6 9,-3.4 -2,-0.5 2,-0.3 -0.951 21.3-133.5-126.4 129.3 -37.5 0.2 39.4 10 10 A M E -A 17 0A 133 -2,-0.4 2,-1.3 7,-0.3 7,-0.3 -0.579 32.3-112.6 -66.5 135.9 -38.2 -3.3 38.2 11 11 A S - 0 0 33 5,-1.6 2,-1.8 -2,-0.3 4,-0.3 -0.585 27.2-158.7 -70.1 95.7 -39.4 -5.8 41.0 12 12 A R S S+ 0 0 237 -2,-1.3 -1,-0.1 1,-0.1 -2,-0.0 -0.181 82.4 45.0 -74.0 48.1 -36.3 -8.2 41.2 13 13 A S S S- 0 0 115 -2,-1.8 -1,-0.1 0, 0.0 2,-0.1 0.210 123.1 -45.0-146.0 -72.6 -38.4 -11.1 42.8 14 14 A S S S+ 0 0 120 2,-0.1 -2,-0.1 0, 0.0 2,-0.1 -0.579 97.9 30.1-173.0 111.8 -41.9 -11.5 41.1 15 15 A G S S+ 0 0 58 -4,-0.3 2,-0.3 -2,-0.1 -3,-0.0 -0.462 84.1 4.6 160.0 -80.9 -44.6 -9.0 39.9 16 16 A R - 0 0 173 -2,-0.1 -5,-1.6 -7,-0.0 2,-0.4 -0.968 54.7-105.5-136.8 150.5 -44.3 -5.4 38.6 17 17 A V E -A 10 0A 52 -2,-0.3 -7,-0.3 -7,-0.3 2,-0.2 -0.674 48.3-172.1 -62.7 131.3 -42.3 -2.4 37.6 18 18 A Y E -A 9 0A 68 -9,-3.4 -9,-2.6 -2,-0.4 2,-0.4 -0.697 19.8-123.1-122.3 172.6 -42.7 0.0 40.6 19 19 A Y E -AB 8 28A 52 9,-2.2 9,-3.0 -11,-0.2 2,-0.4 -0.988 30.4-154.9-129.7 138.3 -41.6 3.7 41.1 20 20 A F E -AB 7 27A 34 -13,-2.0 -13,-1.8 -2,-0.4 2,-0.5 -0.908 22.0-149.4-129.7 135.4 -39.4 4.8 44.0 21 21 A N E >> -AB 6 26A 11 5,-1.8 5,-1.1 -2,-0.4 4,-0.8 -0.892 16.6-159.8 -94.4 129.3 -38.4 7.8 46.2 22 22 A H T 45S+ 0 0 87 -17,-3.0 -17,-0.1 -2,-0.5 -1,-0.1 0.892 84.2 32.0 -68.4 -50.1 -34.6 7.5 47.5 23 23 A I T 45S+ 0 0 142 -19,-0.4 -1,-0.1 -18,-0.4 -18,-0.1 0.731 125.6 40.9-102.9 -29.2 -34.5 9.8 50.6 24 24 A T T 45S- 0 0 103 -19,-0.2 -2,-0.2 -22,-0.2 -1,-0.1 0.853 103.4-137.5 -61.9 -47.9 -38.1 9.3 51.9 25 25 A N T <5 + 0 0 122 -4,-0.8 2,-0.4 1,-0.2 -3,-0.2 0.953 46.3 149.0 77.5 70.7 -37.7 5.4 51.0 26 26 A A E < -B 21 0A 38 -5,-1.1 -5,-1.8 -24,-0.0 2,-0.5 -0.940 34.1-156.2-143.6 115.2 -41.2 4.8 49.4 27 27 A S E +B 20 0A 91 -2,-0.4 -7,-0.2 -7,-0.2 2,-0.1 -0.805 30.4 141.1 -92.1 125.2 -42.3 2.3 46.6 28 28 A Q E -B 19 0A 70 -9,-3.0 -9,-2.2 -2,-0.5 -2,-0.0 -0.411 56.4-107.2-131.9-152.9 -45.5 3.0 44.5 29 29 A W S S+ 0 0 181 -11,-0.3 2,-0.6 -2,-0.1 -9,-0.1 0.094 70.1 125.2-130.8 24.5 -46.4 2.6 40.7 30 30 A E - 0 0 53 -11,-0.2 -28,-0.2 2,-0.0 -2,-0.1 -0.785 54.3-154.8-110.6 118.0 -46.4 6.4 39.6 31 31 A R - 0 0 94 -2,-0.6 8,-0.1 8,-0.2 -12,-0.0 -0.748 37.4-140.6 -60.4 106.1 -44.7 8.3 36.8 32 32 A P - 0 0 10 0, 0.0 -1,-0.1 0, 0.0 5,-0.1 0.692 50.8 -64.2 -66.0 -23.9 -45.1 11.6 38.9 33 33 A S - 0 0 47 6,-0.1 2,-0.5 4,-0.1 3,-0.1 -0.227 34.2-148.0-175.4 -79.5 -45.9 14.0 36.0 34 34 A G S S- 0 0 66 1,-0.2 3,-0.1 0, 0.0 -1,-0.0 -0.829 86.2 -43.1 103.5 -86.0 -43.6 15.0 33.1 35 35 A N S S+ 0 0 173 1,-0.9 2,-0.4 -2,-0.5 -1,-0.2 0.269 141.1 25.6-137.6 -73.3 -45.0 18.6 32.9 36 36 A S S S- 0 0 88 1,-0.2 -1,-0.9 -3,-0.1 3,-0.1 -0.757 70.2-160.6 -75.6 139.2 -48.8 18.2 33.2 37 37 A S + 0 0 42 -2,-0.4 2,-1.7 -3,-0.1 -1,-0.2 0.938 19.9 167.7 -76.9 -70.2 -49.8 15.0 35.1 38 38 A S 0 0 128 1,-0.2 -1,-0.1 0, 0.0 -5,-0.0 -0.544 360.0 360.0 75.1 -62.5 -53.5 14.4 34.1 39 39 A G 0 0 76 -2,-1.7 -1,-0.2 -3,-0.1 -8,-0.2 -0.429 360.0 360.0-136.3 360.0 -52.7 11.2 35.7