==== 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 10-JUN-13 2M9I . 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 . 34 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2775.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 17 50.0 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 29.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 5.9 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 . 3 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 5.9 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 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 1 0 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 0 143 0, 0.0 32,-0.1 0, 0.0 30,-0.0 0.000 360.0 360.0 360.0 -84.9 -11.4 1.0 -4.1 2 2 A L - 0 0 61 1,-0.1 32,-0.2 29,-0.0 4,-0.0 -0.132 360.0 -65.0 -65.3 170.4 -9.2 -1.0 -6.5 3 3 A P > - 0 0 75 0, 0.0 3,-1.6 0, 0.0 -1,-0.1 0.043 48.3 -89.6 -64.3 162.9 -9.7 -4.9 -6.9 4 4 A P T 3 S+ 0 0 124 0, 0.0 3,-0.1 0, 0.0 19,-0.1 -0.432 110.8 55.8 -64.7 140.6 -9.3 -8.1 -4.8 5 5 A G T 3 S+ 0 0 11 1,-0.4 17,-2.8 -2,-0.1 2,-0.5 -0.100 75.5 113.8 110.6 -29.8 -5.7 -9.3 -5.2 6 6 A W E < +A 21 0A 37 -3,-1.6 -1,-0.4 15,-0.3 2,-0.3 -0.640 46.9 174.8 -71.0 125.6 -4.2 -5.9 -4.1 7 7 A E E -A 20 0A 62 13,-2.8 13,-3.0 -2,-0.5 11,-0.1 -0.960 32.9 -90.0-139.8 148.2 -2.4 -6.7 -0.7 8 8 A K E +A 19 0A 93 -2,-0.3 11,-0.3 11,-0.2 2,-0.2 -0.279 47.2 161.1 -61.4 138.5 -0.1 -4.7 1.7 9 9 A R E -A 18 0A 90 9,-3.1 9,-2.6 7,-0.0 2,-0.4 -0.871 31.1-122.1-145.2 174.4 3.8 -4.7 1.4 10 10 A M E -A 17 0A 118 7,-0.2 2,-0.9 -2,-0.2 7,-0.2 -0.994 23.8-118.8-131.4 130.0 6.7 -2.5 2.6 11 11 A F E >>> -A 16 0A 102 5,-3.0 4,-3.2 -2,-0.4 3,-1.6 -0.545 38.6-127.6 -69.7 100.6 9.4 -0.8 0.4 12 12 A R T 345S+ 0 0 220 -2,-0.9 4,-0.1 1,-0.2 -1,-0.1 -0.090 87.5 24.3 -50.7 148.7 12.7 -2.4 1.4 13 13 A S T 345S+ 0 0 136 1,-0.1 -1,-0.2 2,-0.1 -2,-0.1 0.384 133.2 36.5 65.8 2.8 15.6 -0.1 2.4 14 14 A N T <45S- 0 0 88 -3,-1.6 -2,-0.2 2,-0.1 -1,-0.1 0.466 95.6-127.0-143.1 -32.2 13.2 2.8 3.5 15 15 A G T <5 + 0 0 34 -4,-3.2 2,-0.4 1,-0.3 -3,-0.1 0.469 45.2 158.9 98.3 5.9 10.0 1.3 5.1 16 16 A T E < -A 11 0A 67 -5,-0.5 -5,-3.0 -6,-0.1 2,-0.3 -0.467 36.5-137.0 -61.2 115.9 7.3 3.0 3.0 17 17 A V E +A 10 0A 78 -2,-0.4 -7,-0.2 -7,-0.2 2,-0.2 -0.596 39.8 148.7 -79.6 138.8 4.1 0.8 3.3 18 18 A Y E -A 9 0A 47 -9,-2.6 -9,-3.1 -2,-0.3 2,-0.3 -0.796 41.1 -94.9-152.1-177.7 2.3 0.3 -0.0 19 19 A Y E -AB 8 28A 32 9,-3.3 9,-2.9 -11,-0.3 2,-0.4 -0.940 23.6-164.2-123.0 149.2 0.1 -2.3 -1.9 20 20 A F E -AB 7 27A 39 -13,-3.0 -13,-2.8 -2,-0.3 2,-1.1 -0.984 24.7-125.8-130.4 128.8 1.0 -5.0 -4.4 21 21 A N E >> -A 6 0A 10 5,-2.4 4,-2.9 -2,-0.4 3,-0.5 -0.700 20.0-166.8 -79.7 102.9 -1.4 -6.9 -6.7 22 22 A H T 34 S+ 0 0 115 -17,-2.8 -1,-0.1 -2,-1.1 -16,-0.1 0.415 86.7 50.5 -71.4 0.1 -0.6 -10.5 -5.9 23 23 A I T 34 S+ 0 0 121 -18,-0.1 -1,-0.2 -19,-0.1 -17,-0.1 0.667 127.8 17.6-105.2 -29.0 -2.6 -11.6 -9.1 24 24 A T T <4 S- 0 0 95 -3,-0.5 -2,-0.2 2,-0.1 -18,-0.0 0.512 95.8-119.7-119.3 -13.0 -0.9 -9.2 -11.7 25 25 A N < + 0 0 121 -4,-2.9 -3,-0.1 1,-0.2 0, 0.0 0.525 63.7 145.8 70.7 12.7 2.4 -8.1 -10.0 26 26 A A - 0 0 38 -5,-0.3 -5,-2.4 -6,-0.1 2,-0.3 -0.247 33.7-152.2 -65.4 164.2 1.3 -4.4 -10.2 27 27 A S E +B 20 0A 52 -7,-0.3 2,-0.3 -21,-0.1 -7,-0.2 -0.996 19.3 162.0-145.1 139.6 2.3 -2.0 -7.3 28 28 A Q E -B 19 0A 103 -9,-2.9 -9,-3.3 -2,-0.3 -2,-0.0 -0.987 42.4-134.1-150.8 156.1 0.7 1.3 -5.9 29 29 A F S S+ 0 0 130 -2,-0.3 2,-0.4 -11,-0.2 -9,-0.1 0.613 84.6 96.2 -83.1 -19.5 0.8 3.5 -2.8 30 30 A E S S- 0 0 58 -11,-0.1 -11,-0.1 1,-0.0 -2,-0.1 -0.653 74.8-138.1 -72.4 129.9 -3.0 3.6 -2.8 31 31 A R - 0 0 111 -2,-0.4 -2,-0.1 1,-0.1 -1,-0.0 -0.828 14.1-168.5 -90.3 104.7 -4.5 1.0 -0.4 32 32 A P S S+ 0 0 9 0, 0.0 2,-2.1 0, 0.0 -1,-0.1 0.657 73.2 88.1 -77.0 -13.0 -7.5 -0.8 -2.2 33 33 A S 0 0 84 1,-0.3 -2,-0.1 -32,-0.1 -26,-0.0 -0.511 360.0 360.0 -73.5 59.8 -8.7 -2.4 1.1 34 34 A G 0 0 71 -2,-2.1 -1,-0.3 -32,-0.2 -3,-0.1 0.427 360.0 360.0 127.1 360.0 -10.7 0.9 1.6