==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=2-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 08-DEC-08 2KBU . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA- . SOURCE 2 SYNTHETIC: YES; . AUTHOR A.A.FULLER,G.BHABHA,D.A.CASE . 31 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 2781.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 13 41.9 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 . 9 29.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 1 3.2 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 . 1 3.2 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 6.5 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 3.2 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 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 0 188 0, 0.0 30,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 139.5 -16.6 5.6 0.4 2 2 A L - 0 0 99 1,-0.2 0, 0.0 0, 0.0 0, 0.0 -0.337 360.0 -57.7 -72.0 162.9 -14.1 3.8 -2.0 3 3 A P - 0 0 86 0, 0.0 28,-0.2 0, 0.0 -1,-0.2 -0.089 57.4-149.2 -53.5 136.9 -13.1 0.1 -1.1 4 4 A P + 0 0 91 0, 0.0 16,-0.2 0, 0.0 27,-0.1 0.096 58.6 93.0 -86.2-163.5 -11.5 -0.6 2.4 5 5 A G + 0 0 29 1,-0.2 14,-2.3 14,-0.1 15,-0.7 0.768 60.7 142.3 86.1 27.8 -9.0 -3.2 3.6 6 6 A W E -A 18 0A 43 12,-0.3 2,-0.3 13,-0.2 12,-0.3 -0.624 30.7-170.3-101.3 160.6 -5.8 -1.1 3.1 7 7 A E E -A 17 0A 61 10,-2.9 10,-3.0 -2,-0.2 2,-0.3 -0.964 27.8-111.2-136.8 157.1 -2.5 -0.6 5.0 8 8 A K E -A 16 0A 148 -2,-0.3 2,-0.3 8,-0.2 8,-0.2 -0.715 37.2-172.5 -89.2 140.5 0.4 1.9 4.7 9 9 A R E -A 15 0A 74 6,-3.1 6,-2.9 -2,-0.3 2,-0.4 -0.866 19.1-115.6-132.4 161.1 3.8 0.5 3.4 10 10 A M E +A 14 0A 149 -2,-0.3 2,-0.3 4,-0.2 4,-0.2 -0.826 21.1 177.2-106.4 138.2 7.4 1.8 3.0 11 11 A S S S- 0 0 42 2,-3.2 2,-2.0 -2,-0.4 -2,-0.0 -0.791 88.8 -78.5-137.6 87.0 9.4 2.3 -0.3 12 12 A X S S+ 0 0 239 -2,-0.3 2,-0.3 0, 0.0 -2,-0.0 0.560 143.7 42.6 37.5 -25.4 12.8 3.7 0.7 13 13 A R S S- 0 0 109 -2,-2.0 -2,-3.2 0, 0.0 2,-0.3 -0.808 108.6 -93.7-111.3 143.2 8.6 7.3 0.6 14 14 A V E +A 10 0A 90 -2,-0.3 2,-0.2 -4,-0.2 -4,-0.2 -0.808 50.9 179.1 -95.0 143.2 5.4 5.9 2.1 15 15 A Y E -A 9 0A 66 -6,-2.9 -6,-3.1 -2,-0.3 2,-0.4 -0.839 23.7-117.9-134.9 173.6 2.7 4.2 -0.1 16 16 A Y E -AB 8 25A 44 9,-3.1 9,-3.0 -2,-0.2 2,-0.3 -0.944 27.4-177.6-121.3 137.1 -0.7 2.6 0.4 17 17 A F E -AB 7 24A 47 -10,-3.0 -10,-2.9 -2,-0.4 2,-0.6 -0.975 26.9-120.5-138.4 147.4 -1.6 -1.1 -0.4 18 18 A N E > -A 6 0A 3 5,-2.8 4,-2.0 -2,-0.3 -12,-0.3 -0.791 12.0-161.6 -93.7 116.9 -4.8 -3.3 -0.2 19 19 A H T 4 S+ 0 0 129 -14,-2.3 -13,-0.2 -2,-0.6 -1,-0.1 0.719 94.6 36.3 -68.3 -22.1 -4.5 -6.3 2.1 20 20 A I T 4 S+ 0 0 139 -15,-0.7 -1,-0.2 -16,-0.2 -15,-0.1 0.819 130.5 27.9 -95.9 -40.7 -7.5 -8.0 0.4 21 21 A T T 4 S- 0 0 90 -16,-0.2 2,-0.2 2,-0.1 -2,-0.2 0.401 90.4-137.1-107.9 -5.5 -7.0 -6.9 -3.3 22 22 A N < + 0 0 132 -4,-2.0 -3,-0.1 1,-0.2 -16,-0.0 0.186 51.7 145.3 59.8 -8.6 -3.1 -6.5 -3.4 23 23 A A - 0 0 46 -2,-0.2 -5,-2.8 -6,-0.1 2,-0.4 -0.254 30.6-164.4 -54.3 138.4 -3.4 -3.2 -5.4 24 24 A S E +B 17 0A 78 -7,-0.2 2,-0.3 -3,-0.1 -7,-0.2 -0.998 14.8 161.6-140.2 128.5 -0.6 -0.8 -4.3 25 25 A Q E -B 16 0A 87 -9,-3.0 -9,-3.1 -2,-0.4 -2,-0.0 -0.982 43.9-124.6-152.8 151.9 -0.2 3.0 -5.0 26 26 A F S S+ 0 0 122 -2,-0.3 2,-0.3 -11,-0.2 -12,-0.1 0.738 98.3 50.8 -73.1 -24.3 1.6 6.1 -3.8 27 27 A E S S- 0 0 121 -11,-0.1 -11,-0.1 -12,-0.1 -12,-0.0 -0.901 88.4-117.4-116.4 144.2 -1.6 8.1 -3.1 28 28 A R - 0 0 132 -2,-0.3 -2,-0.1 1,-0.1 2,-0.0 -0.460 15.3-135.4 -83.7 150.2 -4.6 6.9 -1.1 29 29 A P - 0 0 25 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 -0.053 51.1 -80.6 -73.0-166.9 -8.3 6.2 -2.3 30 30 A S 0 0 54 1,-0.1 -2,-0.0 -26,-0.0 0, 0.0 0.421 360.0 360.0 -75.5 0.1 -11.3 7.4 -0.2 31 31 A G 0 0 18 -28,-0.2 -1,-0.1 -30,-0.1 -25,-0.1 -0.645 360.0 360.0 -75.8 360.0 -10.5 4.1 1.8