==== 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 11-SEP-07 2JV4 . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS/TRANS ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: EMERICELLA NIDULANS; . AUTHOR C.A.NG,Y.KATO,M.TANOKURA,R.T.C.BROWNLEE . 53 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 4803.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 25 47.2 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 . 8 15.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 3.8 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 . 5 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 5 9.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 1.9 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 1 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 2 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 S 0 0 107 0, 0.0 2,-0.2 0, 0.0 13,-0.0 0.000 360.0 360.0 360.0 129.8 25.2 33.8 28.2 2 2 A M + 0 0 188 2,-0.1 2,-0.3 0, 0.0 0, 0.0 -0.600 360.0 133.3-146.0 66.8 27.5 35.2 25.5 3 3 A V - 0 0 84 -2,-0.2 2,-0.4 10,-0.1 10,-0.1 -0.819 50.9-118.7-124.0 158.5 31.2 35.3 26.6 4 4 A N + 0 0 118 -2,-0.3 2,-0.4 43,-0.1 -2,-0.1 -0.860 32.9 179.8 -94.4 133.8 34.8 34.4 25.4 5 5 A T - 0 0 13 -2,-0.4 2,-1.4 2,-0.1 40,-0.2 -0.988 34.2-145.4-134.9 128.3 36.7 31.7 27.4 6 6 A G + 0 0 2 38,-0.6 35,-3.0 -2,-0.4 39,-0.2 -0.352 60.9 136.6 -73.2 47.7 40.2 30.3 26.9 7 7 A L - 0 0 6 -2,-1.4 4,-0.2 33,-0.2 2,-0.1 -0.404 69.7 -76.2 -82.8 171.1 38.7 27.1 28.3 8 8 A P - 0 0 7 0, 0.0 -1,-0.1 0, 0.0 32,-0.1 -0.455 61.3 -91.2 -66.4 153.0 39.5 23.7 26.6 9 9 A A S S+ 0 0 83 1,-0.3 2,-1.5 30,-0.2 19,-0.1 0.657 122.3 73.3 -50.3 -25.7 37.5 23.2 23.4 10 10 A G S S+ 0 0 18 16,-0.1 2,-0.3 17,-0.1 -1,-0.3 -0.431 79.3 153.2 -77.4 57.0 34.5 21.6 25.3 11 11 A W + 0 0 130 -2,-1.5 2,-0.1 -4,-0.2 15,-0.1 -0.698 16.2 131.6 -96.3 149.8 33.6 25.0 26.7 12 12 A E - 0 0 83 -2,-0.3 13,-2.4 14,-0.1 2,-0.6 -0.332 45.2-135.5 174.4 99.2 30.2 26.5 28.0 13 13 A V E +A 24 0A 16 11,-0.2 11,-0.2 -10,-0.1 2,-0.2 -0.567 32.1 168.7 -69.5 115.5 30.2 28.2 31.4 14 14 A R E -A 23 0A 88 9,-2.8 9,-2.2 -2,-0.6 2,-0.3 -0.570 13.5-158.9-106.0 176.6 27.2 27.2 33.5 15 15 A H E -A 22 0A 118 7,-0.3 5,-0.1 -2,-0.2 -2,-0.0 -0.979 21.0 -99.3-161.8 147.2 26.7 27.9 37.3 16 16 A S - 0 0 48 5,-1.2 7,-0.0 -2,-0.3 0, 0.0 -0.249 30.6-119.7 -70.1 156.6 24.7 26.6 40.3 17 17 A N S S- 0 0 169 1,-0.1 -1,-0.1 3,-0.0 3,-0.0 0.905 101.3 -6.0 -62.3 -46.1 21.4 28.3 41.5 18 18 A S S S+ 0 0 111 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 0.590 112.3 92.3-130.2 -28.1 22.5 29.2 45.1 19 19 A K S S- 0 0 166 1,-0.1 -3,-0.2 2,-0.1 0, 0.0 -0.459 76.7-125.5 -74.9 149.7 26.1 27.6 45.5 20 20 A N S S+ 0 0 160 -2,-0.1 -1,-0.1 -5,-0.1 -3,-0.0 0.477 73.3 74.9 -96.1 -5.9 28.9 30.0 44.5 21 21 A L - 0 0 109 1,-0.1 -5,-1.2 0, 0.0 2,-0.1 -0.685 68.8-123.9-100.0 158.1 31.2 28.4 41.8 22 22 A P E -A 15 0A 41 0, 0.0 2,-0.3 0, 0.0 -7,-0.3 -0.301 14.8-145.7 -77.4 175.0 30.6 27.8 38.0 23 23 A Y E -A 14 0A 103 -9,-2.2 -9,-2.8 -2,-0.1 2,-0.8 -0.966 12.1-134.7-142.2 137.2 30.8 24.5 36.1 24 24 A Y E -AB 13 33A 10 9,-3.0 9,-2.2 -2,-0.3 2,-0.3 -0.768 20.9-152.5 -98.8 102.6 32.1 24.3 32.5 25 25 A F E - B 0 32A 95 -13,-2.4 7,-0.2 -2,-0.8 5,-0.1 -0.551 5.6-142.8 -75.5 131.3 29.9 22.0 30.4 26 26 A N E > - B 0 31A 24 5,-2.2 5,-0.6 -2,-0.3 -15,-0.1 -0.861 13.1-172.3 -87.7 121.2 31.3 20.1 27.4 27 27 A P T 5S+ 0 0 87 0, 0.0 -1,-0.1 0, 0.0 -17,-0.1 0.836 83.2 47.1 -76.6 -35.1 28.7 20.1 24.5 28 28 A A T 5S+ 0 0 95 1,-0.1 2,-0.3 -19,-0.1 -18,-0.0 0.614 119.2 34.5 -90.5 -15.9 30.6 17.6 22.2 29 29 A T T 5S- 0 0 81 2,-0.1 2,-1.6 -19,-0.0 -3,-0.2 -0.992 91.3-110.9-132.5 138.9 31.5 15.0 24.9 30 30 A R T 5S+ 0 0 243 -2,-0.3 2,-0.3 -5,-0.1 -2,-0.0 -0.523 84.0 94.6 -70.4 87.7 29.2 14.0 27.8 31 31 A E E < -B 26 0A 128 -2,-1.6 -5,-2.2 -5,-0.6 2,-0.3 -0.959 55.7-144.8-165.8 170.5 31.6 15.6 30.5 32 32 A S E -B 25 0A 42 -2,-0.3 2,-0.3 -7,-0.2 -7,-0.2 -0.988 7.2-141.8-153.0 155.9 32.3 18.8 32.6 33 33 A R E -B 24 0A 80 -9,-2.2 -9,-3.0 -2,-0.3 -2,-0.0 -0.912 5.7-167.3-124.9 147.2 35.3 20.8 34.0 34 34 A W S S+ 0 0 175 1,-0.3 -1,-0.1 -2,-0.3 0, 0.0 0.766 70.3 6.3-113.6 -34.6 35.4 22.5 37.4 35 35 A E S S- 0 0 118 -11,-0.1 -1,-0.3 -12,-0.0 -11,-0.1 -0.851 104.5 -60.9-144.0 167.1 38.5 24.8 37.5 36 36 A P - 0 0 53 0, 0.0 -29,-0.1 0, 0.0 2,-0.0 -0.450 61.8-158.5 -65.1 117.0 41.0 25.8 34.6 37 37 A P > - 0 0 27 0, 0.0 3,-1.1 0, 0.0 -4,-0.0 -0.171 32.6 -95.0 -87.4 179.9 42.8 22.5 33.4 38 38 A A T 3 S+ 0 0 111 1,-0.2 0, 0.0 3,-0.1 0, 0.0 0.804 122.2 58.9 -65.8 -29.7 46.1 21.8 31.5 39 39 A D T 3 S+ 0 0 114 2,-0.1 -30,-0.2 -31,-0.0 -1,-0.2 0.411 90.8 107.4 -76.8 0.0 44.3 21.8 28.1 40 40 A T S < S- 0 0 20 -3,-1.1 -33,-0.2 -32,-0.1 2,-0.2 -0.249 71.1-129.6 -84.4 169.9 43.1 25.4 28.7 41 41 A D >> + 0 0 83 -35,-3.0 3,-1.3 1,-0.2 4,-0.8 -0.537 24.2 178.0-125.7 56.5 44.1 28.7 27.2 42 42 A M H >> S+ 0 0 108 1,-0.2 4,-1.7 2,-0.2 3,-0.7 0.706 79.2 62.8 -26.0 -42.4 44.8 31.1 30.1 43 43 A E H >> S+ 0 0 150 1,-0.3 4,-0.9 2,-0.2 3,-0.7 0.962 108.1 41.9 -53.6 -53.8 45.9 33.9 27.7 44 44 A T H <4 S+ 0 0 46 -3,-1.3 -38,-0.6 1,-0.2 -1,-0.3 0.508 117.2 52.2 -71.9 -6.7 42.3 33.9 26.3 45 45 A L H XX S+ 0 0 0 -4,-0.8 4,-2.9 -3,-0.7 3,-1.5 0.652 92.0 68.8 -95.8 -20.9 41.1 33.6 29.9 46 46 A K H