==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=12-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 07-JUN-13 2M9E . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACT . SOURCE 2 SYNTHETIC: YES; . AUTHOR S.ENCK,W.CHEN,J.L.PRICE,E.T.POWERS,C.WONG,H.J.DYSON,J.W.KELL . 33 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2745.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 16 48.5 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 . 11 33.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 3.0 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 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 9.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 6.1 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 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 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 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 0 173 0, 0.0 32,-0.1 0, 0.0 6,-0.1 0.000 360.0 360.0 360.0-166.5 -10.9 -5.8 1.0 2 2 A L - 0 0 17 4,-0.1 3,-0.2 1,-0.1 30,-0.2 -0.162 360.0 -90.4 -49.7 144.6 -8.7 -4.5 -1.8 3 3 A P S > S- 0 0 54 0, 0.0 3,-2.4 0, 0.0 -1,-0.1 0.004 73.7 -38.7 -59.1 167.9 -9.8 -5.4 -5.5 4 4 A P T 3 S- 0 0 116 0, 0.0 18,-0.2 0, 0.0 3,-0.1 0.091 129.6 -5.9 -39.2 111.0 -8.7 -8.5 -7.4 5 5 A G T 3 S+ 0 0 11 1,-0.3 16,-2.6 -3,-0.2 2,-0.2 0.054 95.2 133.3 91.5 -20.9 -5.0 -9.3 -6.7 6 6 A W E < +A 20 0A 35 -3,-2.4 2,-0.4 14,-0.3 -1,-0.3 -0.427 28.3 175.4 -69.8 131.6 -4.2 -6.1 -4.6 7 7 A E E -A 19 0A 26 12,-2.3 12,-3.0 -2,-0.2 2,-0.1 -0.989 31.4-118.2-141.1 125.4 -2.3 -6.8 -1.4 8 8 A K E +A 18 0A 111 -2,-0.4 10,-0.3 10,-0.2 2,-0.2 -0.371 43.4 162.9 -56.1 132.6 -0.9 -4.3 1.2 9 9 A R E -A 17 0A 105 8,-3.2 8,-2.1 -2,-0.1 2,-0.3 -0.770 26.9-123.7-144.8-175.0 2.9 -4.5 1.6 10 10 A M E -A 16 0A 149 6,-0.3 2,-0.3 -2,-0.2 6,-0.2 -0.999 12.3-134.3-154.3 140.2 5.8 -2.4 3.1 11 11 A F E >> -A 15 0A 115 4,-3.1 3,-2.5 -2,-0.3 4,-1.0 -0.713 25.7-115.5-104.2 149.3 9.0 -0.9 1.9 12 12 A A T 34 S+ 0 0 108 1,-0.3 -1,-0.1 -2,-0.3 -2,-0.0 0.668 111.4 65.8 -61.1 -21.2 12.5 -0.8 3.5 13 13 A N T 34 S- 0 0 141 2,-0.1 -1,-0.3 1,-0.0 -3,-0.0 0.462 126.0 -95.6 -74.3 -3.9 12.5 3.0 3.9 14 14 A G T <4 S+ 0 0 61 -3,-2.5 2,-0.3 1,-0.3 -2,-0.2 0.948 84.4 115.7 83.0 67.9 9.6 2.6 6.4 15 15 A T E < -A 11 0A 76 -4,-1.0 -4,-3.1 2,-0.0 2,-0.3 -0.967 59.0-117.3-158.2 152.9 6.4 3.0 4.3 16 16 A V E +A 10 0A 77 -2,-0.3 -6,-0.3 -6,-0.2 2,-0.2 -0.754 34.4 167.8 -94.9 143.0 3.3 1.0 3.2 17 17 A Y E -A 9 0A 64 -8,-2.1 -8,-3.2 -2,-0.3 2,-0.4 -0.806 29.3-114.6-138.2-178.1 2.5 0.2 -0.5 18 18 A Y E -AB 8 27A 6 9,-3.1 9,-2.4 -10,-0.3 2,-0.4 -0.987 19.6-165.2-129.1 132.7 0.2 -2.1 -2.5 19 19 A F E -AB 7 26A 54 -12,-3.0 -12,-2.3 -2,-0.4 2,-0.9 -0.968 15.0-143.9-118.9 130.6 1.1 -5.0 -4.8 20 20 A N E >>> -AB 6 25A 6 5,-3.0 4,-2.5 -2,-0.4 3,-1.5 -0.797 12.0-169.1 -94.7 98.3 -1.2 -6.6 -7.3 21 21 A H T 345S+ 0 0 110 -16,-2.6 -1,-0.1 -2,-0.9 -16,-0.1 0.489 84.1 56.4 -70.6 -2.1 -0.3 -10.3 -7.3 22 22 A I T 345S+ 0 0 123 -18,-0.2 -1,-0.3 3,-0.1 -17,-0.1 0.605 126.9 16.0 -96.9 -16.9 -2.4 -11.0 -10.4 23 23 A T T <45S- 0 0 96 -3,-1.5 -2,-0.2 2,-0.1 3,-0.1 0.441 96.3-119.6-131.9 -10.0 -0.6 -8.4 -12.6 24 24 A N T <5 + 0 0 123 -4,-2.5 -3,-0.2 1,-0.2 2,-0.0 0.567 61.3 152.5 63.9 14.3 2.6 -7.5 -10.8 25 25 A A E < -B 20 0A 38 -5,-0.6 -5,-3.0 -6,-0.1 2,-0.3 -0.366 27.0-162.7 -66.0 155.4 1.4 -3.9 -10.5 26 26 A S E +B 19 0A 83 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.971 16.5 157.8-146.7 126.5 2.7 -1.8 -7.6 27 27 A Q E -B 18 0A 79 -9,-2.4 -9,-3.1 -2,-0.3 -2,-0.0 -0.945 39.8-147.3-143.3 157.1 1.3 1.6 -6.2 28 28 A F S S+ 0 0 133 -2,-0.3 2,-0.3 -11,-0.2 -1,-0.1 0.731 76.8 101.9 -90.2 -31.0 1.3 3.6 -2.9 29 29 A E S S- 0 0 113 1,-0.1 -2,-0.1 -11,-0.1 -11,-0.0 -0.387 86.7-116.8 -56.7 109.7 -2.2 4.9 -3.8 30 30 A R - 0 0 159 -2,-0.3 2,-1.9 1,-0.1 3,-0.2 -0.385 18.2-145.2 -65.9 109.0 -4.4 2.7 -1.5 31 31 A P S S- 0 0 23 0, 0.0 -1,-0.1 0, 0.0 -25,-0.1 -0.505 74.1 -47.8 -79.9 79.1 -6.8 0.5 -3.6 32 32 A S 0 0 98 -2,-1.9 -2,-0.0 -30,-0.2 0, 0.0 0.904 360.0 360.0 57.7 51.6 -9.9 0.6 -1.3 33 33 A G 0 0 62 -3,-0.2 -31,-0.1 -32,-0.1 -25,-0.0 -0.089 360.0 360.0 171.8 360.0 -8.1 -0.2 2.0