==== 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 19-DEC-08 2KCF . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA- . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.A.KOWALSKI,K.LIU,J.W.KELLY . 36 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 3030.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 15 41.7 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 . 7 19.4 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 5.6 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 . 4 11.1 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 . 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+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 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 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 G 0 0 64 0, 0.0 2,-0.6 0, 0.0 35,-0.0 0.000 360.0 360.0 360.0-137.8 -10.4 7.2 2.5 2 2 A S - 0 0 43 31,-2.9 2,-2.0 2,-0.1 31,-0.3 -0.760 360.0 -71.2-122.2 78.7 -8.4 8.1 -0.7 3 3 A K S S+ 0 0 205 -2,-0.6 33,-0.0 1,-0.1 -1,-0.0 -0.046 103.6 107.8 66.5 -34.8 -9.4 5.8 -3.6 4 4 A L - 0 0 9 -2,-2.0 31,-0.7 29,-0.3 -2,-0.1 -0.500 65.5-132.7 -69.4 142.5 -7.7 2.6 -2.1 5 5 A P - 0 0 61 0, 0.0 -1,-0.1 0, 0.0 -3,-0.1 -0.352 30.7 -89.3 -77.5 171.6 -10.1 -0.1 -0.7 6 6 A P S S+ 0 0 84 0, 0.0 29,-0.0 0, 0.0 17,-0.0 -0.283 95.1 84.8 -67.3 168.9 -9.6 -1.9 2.7 7 7 A G S S+ 0 0 16 1,-0.3 17,-2.5 16,-0.1 18,-0.5 0.681 70.5 129.7 109.1 22.3 -7.4 -5.0 2.6 8 8 A W E -A 23 0A 36 15,-0.3 -1,-0.3 16,-0.1 15,-0.3 -0.830 41.5-164.8-128.3 156.9 -4.0 -3.3 2.9 9 9 A E E -A 22 0A 86 13,-2.7 13,-1.9 -2,-0.3 2,-0.7 -0.723 32.2-119.7-118.9 165.9 -0.6 -3.1 4.8 10 10 A K E +A 21 0A 110 11,-0.2 11,-0.2 -2,-0.2 10,-0.1 -0.756 48.2 173.3-110.8 76.3 2.1 -0.4 4.8 11 11 A R - 0 0 133 -2,-0.7 2,-0.3 9,-0.7 7,-0.0 -0.267 27.8-121.7 -72.1 170.4 4.9 -2.4 3.4 12 12 A M - 0 0 117 7,-0.2 7,-0.2 1,-0.2 4,-0.1 -0.900 18.6-135.9-117.0 148.3 8.3 -1.0 2.4 13 13 A S S S- 0 0 54 5,-1.8 -1,-0.2 2,-0.5 6,-0.0 0.460 72.7 -25.9 -76.1-144.2 9.8 -1.2 -1.1 14 14 A R S S- 0 0 231 2,-0.0 2,-0.2 1,-0.0 -2,-0.1 0.834 116.7 -72.9 -46.5 -40.6 13.4 -2.1 -1.9 15 15 A S S S+ 0 0 80 3,-0.1 -2,-0.5 0, 0.0 3,-0.5 -0.574 122.1 15.6-166.1 -96.8 14.2 -0.8 1.6 16 16 A S S S+ 0 0 123 1,-0.2 3,-0.1 -2,-0.2 -2,-0.0 0.608 96.7 109.4 -54.9 -21.8 14.0 3.0 2.2 17 17 A G S S- 0 0 49 1,-0.1 2,-0.3 -5,-0.0 -1,-0.2 0.710 89.6 -59.4 -28.7 -73.5 12.1 3.4 -1.2 18 18 A R - 0 0 163 -3,-0.5 -5,-1.8 2,-0.1 2,-1.2 -0.913 41.1-101.3-165.3 165.3 8.6 4.3 0.2 19 19 A V - 0 0 65 -2,-0.3 -7,-0.2 -7,-0.2 2,-0.1 -0.538 51.6-178.1 -91.2 58.1 6.0 2.9 2.5 20 20 A Y - 0 0 42 -2,-1.2 -9,-0.7 -10,-0.1 11,-0.2 -0.465 29.3-121.0 -50.9 125.3 4.0 1.9 -0.6 21 21 A Y E -AB 10 30A 50 9,-2.6 9,-2.0 -11,-0.2 2,-0.4 -0.512 27.5-155.1 -70.3 155.5 0.9 0.3 0.8 22 22 A F E -AB 9 29A 49 -13,-1.9 -13,-2.7 7,-0.3 7,-0.3 -0.998 7.2-138.7-137.7 124.3 0.3 -3.3 -0.3 23 23 A N E -A 8 0A 7 5,-2.3 -15,-0.3 -2,-0.4 4,-0.2 -0.574 4.9-153.2 -75.1 152.9 -3.0 -5.1 -0.5 24 24 A H S S+ 0 0 99 -17,-2.5 -16,-0.1 -2,-0.2 -1,-0.1 0.562 89.6 51.8-108.9 -10.3 -3.1 -8.7 0.7 25 25 A I S S+ 0 0 110 -18,-0.5 -1,-0.1 3,-0.1 -17,-0.1 0.904 130.1 16.2 -82.1 -54.9 -6.0 -10.0 -1.4 26 26 A T S S- 0 0 100 -19,-0.2 -2,-0.1 2,-0.1 3,-0.1 0.568 92.8-138.4-103.4 -15.2 -4.7 -8.8 -4.8 27 27 A N + 0 0 96 1,-0.2 2,-0.1 -4,-0.2 -3,-0.1 0.651 55.5 134.4 59.7 21.6 -1.1 -8.2 -3.8 28 28 A A - 0 0 53 1,-0.0 -5,-2.3 -6,-0.0 2,-0.3 -0.403 42.1-146.2 -75.6 170.8 -0.8 -4.9 -5.8 29 29 A S E +B 22 0A 51 -7,-0.3 2,-0.3 -2,-0.1 -7,-0.3 -0.872 20.2 165.7-141.0 168.0 0.8 -1.8 -4.1 30 30 A Q E -B 21 0A 60 -9,-2.0 -9,-2.6 -2,-0.3 -26,-0.0 -0.974 40.8-112.2-173.2 176.2 0.3 2.0 -4.2 31 31 A W S S+ 0 0 160 -2,-0.3 -12,-0.1 -11,-0.2 -1,-0.1 0.564 81.9 81.5-106.2 -20.0 0.9 5.6 -2.8 32 32 A E S S- 0 0 83 -11,-0.1 -11,-0.2 -30,-0.1 -2,-0.1 0.050 77.4-110.5 -75.2-170.4 -2.6 6.7 -1.5 33 33 A R - 0 0 140 -31,-0.3 -31,-2.9 -29,-0.1 -29,-0.3 -0.984 24.2-149.9-127.2 124.8 -4.3 5.8 1.8 34 34 A P + 0 0 22 0, 0.0 -27,-0.0 0, 0.0 -31,-0.0 -0.515 23.2 165.9 -80.0 158.5 -7.4 3.5 2.1 35 35 A S 0 0 92 -31,-0.7 -32,-0.1 -2,-0.2 -2,-0.0 -0.413 360.0 360.0-161.3 82.0 -10.1 3.7 4.8 36 36 A G 0 0 87 -34,-0.1 -33,-0.0 -35,-0.0 0, 0.0 0.529 360.0 360.0 73.5 360.0 -13.0 1.5 3.5