==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=29-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 19-MAY-05 2CQB . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR T.SOMEYA,Y.MUTO,M.INOUE,T.KIGAWA,T.TERADA,M.SHIROUZU, . 102 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7871.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 46 45.1 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 . 17 16.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 9 8.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 3 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 15 14.7 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 1 0 0 1 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 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 ANTIPARALLEL BRIDGES PER LADDER . 1 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 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 -6 A G 0 0 136 0, 0.0 2,-0.3 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 133.7 -29.5 -13.0 14.6 2 -5 A S + 0 0 124 2,-0.0 2,-0.3 0, 0.0 0, 0.0 -0.981 360.0 178.3-167.2 165.4 -28.0 -9.5 14.7 3 -4 A S - 0 0 122 -2,-0.3 2,-0.5 0, 0.0 0, 0.0 -0.953 22.2-133.8-172.1 153.9 -27.2 -6.6 17.0 4 -3 A G + 0 0 62 -2,-0.3 -2,-0.0 1,-0.2 4,-0.0 -0.908 29.2 158.2-124.3 106.1 -25.6 -3.1 17.0 5 -2 A S S S+ 0 0 119 -2,-0.5 -1,-0.2 1,-0.1 3,-0.1 0.945 73.9 53.9 -86.1 -62.7 -23.2 -2.2 19.8 6 -1 A S S S- 0 0 128 1,-0.1 2,-0.3 3,-0.0 -1,-0.1 0.877 113.7-113.0 -38.1 -53.1 -21.1 0.6 18.4 7 0 A G - 0 0 47 2,-0.1 2,-0.5 0, 0.0 -1,-0.1 -0.950 50.4 -27.7 156.3-132.7 -24.3 2.5 17.5 8 1 A M S S+ 0 0 173 -2,-0.3 2,-0.3 -3,-0.1 -4,-0.0 -0.972 71.1 121.0-128.6 119.0 -26.1 3.5 14.3 9 2 A A - 0 0 52 -2,-0.5 -2,-0.1 1,-0.0 -3,-0.0 -0.980 48.6-144.5-167.3 161.0 -24.2 4.2 11.1 10 3 A T + 0 0 92 -2,-0.3 2,-1.2 1,-0.1 3,-0.1 0.036 62.9 117.4-121.2 23.9 -24.0 3.1 7.4 11 4 A T + 0 0 86 1,-0.2 78,-0.2 2,-0.1 -1,-0.1 -0.344 31.1 121.8 -89.1 54.3 -20.2 3.6 7.0 12 5 A K + 0 0 87 -2,-1.2 56,-0.2 1,-0.1 -1,-0.2 -0.062 55.1 76.4-105.2 30.9 -19.6 -0.1 6.3 13 6 A R S S+ 0 0 99 1,-0.1 2,-0.7 54,-0.1 -1,-0.1 0.776 73.4 77.2-105.6 -42.8 -18.1 0.5 2.9 14 7 A V - 0 0 29 46,-0.2 75,-1.7 -3,-0.1 2,-0.3 -0.622 69.0-163.0 -76.2 111.1 -14.6 1.8 3.8 15 8 A L E -AB 59 88A 0 44,-3.1 44,-1.7 -2,-0.7 2,-0.6 -0.669 12.5-132.6 -95.9 150.6 -12.5 -1.3 4.8 16 9 A Y E -AB 58 87A 68 71,-3.0 71,-1.6 -2,-0.3 2,-0.5 -0.904 18.7-165.8-107.4 120.2 -9.2 -1.2 6.7 17 10 A V E +AB 57 86A 0 40,-2.4 40,-1.6 -2,-0.6 2,-0.3 -0.900 11.3 177.3-108.0 128.5 -6.3 -3.2 5.4 18 11 A G E +AB 56 85A 3 67,-2.8 67,-1.6 -2,-0.5 38,-0.2 -0.781 53.1 44.8-124.6 169.3 -3.3 -3.9 7.6 19 12 A G S S+ 0 0 44 36,-1.0 37,-0.2 -2,-0.3 -1,-0.2 0.786 75.1 164.4 70.3 27.1 -0.0 -5.8 7.4 20 13 A L - 0 0 14 35,-1.5 -1,-0.2 -3,-0.2 2,-0.1 -0.270 33.8-114.1 -73.6 163.3 0.6 -4.5 3.9 21 14 A A - 0 0 10 1,-0.1 -1,-0.1 61,-0.1 35,-0.1 -0.338 23.7-108.2 -91.6 176.1 4.0 -4.6 2.2 22 15 A E S S+ 0 0 180 1,-0.2 31,-0.1 -2,-0.1 -1,-0.1 0.603 121.3 47.5 -79.3 -12.0 6.3 -1.8 1.1 23 16 A E S S+ 0 0 129 57,-0.1 2,-0.2 2,-0.1 -1,-0.2 0.653 89.4 99.3 -99.7 -22.0 5.4 -2.5 -2.5 24 17 A V + 0 0 2 4,-0.1 2,-0.2 3,-0.1 32,-0.1 -0.482 49.4 156.3 -70.1 132.4 1.7 -2.6 -2.0 25 18 A D > - 0 0 56 -2,-0.2 4,-2.9 19,-0.0 5,-0.3 -0.795 61.0 -71.3-143.1-175.6 -0.1 0.6 -2.9 26 19 A D H > S+ 0 0 80 -2,-0.2 4,-1.5 1,-0.2 5,-0.1 0.810 132.5 50.3 -52.0 -31.2 -3.5 2.0 -4.0 27 20 A K H > S+ 0 0 141 2,-0.2 4,-2.1 1,-0.2 5,-0.3 0.946 110.0 46.2 -73.3 -50.9 -2.9 0.2 -7.3 28 21 A V H 4 S+ 0 0 31 1,-0.2 4,-0.5 -5,-0.2 -2,-0.2 0.888 116.3 46.6 -59.1 -40.9 -2.0 -3.2 -5.9 29 22 A L H X S+ 0 0 0 -4,-2.9 4,-1.4 2,-0.2 -1,-0.2 0.861 109.0 56.6 -70.0 -36.4 -5.0 -3.0 -3.6 30 23 A H H >X S+ 0 0 82 -4,-1.5 4,-1.7 -5,-0.3 3,-1.3 0.983 111.6 38.7 -58.5 -62.6 -7.3 -1.9 -6.4 31 24 A A H 3< S+ 0 0 66 -4,-2.1 -1,-0.2 1,-0.3 -2,-0.2 0.605 116.4 57.2 -65.1 -10.0 -6.6 -4.8 -8.7 32 25 A A H 34 S+ 0 0 26 -4,-0.5 -1,-0.3 -5,-0.3 -2,-0.2 0.676 119.0 27.4 -92.8 -21.8 -6.6 -7.0 -5.6 33 26 A F H S- 0 0 79 -50,-0.1 4,-0.6 1,-0.1 -2,-0.1 -0.772 75.2-122.2-131.7 176.6 -22.0 -1.1 -1.9 64 57 A A H > S+ 0 0 46 -2,-0.2 4,-2.3 2,-0.2 5,-0.2 0.877 107.5 54.3 -87.7 -44.6 -22.1 -2.3 1.7 65 58 A E H > S+ 0 0 142 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.914 106.6 53.1 -56.0 -45.8 -22.7 -6.0 1.1 66 59 A D H > S+ 0 0 35 1,-0.2 4,-1.7 2,-0.2 -1,-0.2 0.883 108.7 51.0 -57.7 -40.4 -19.7 -6.2 -1.2 67 60 A A H X S+ 0 0 0 -4,-0.6 4,-2.0 2,-0.2 -2,-0.2 0.952 107.7 50.7 -63.0 -51.7 -17.5 -4.7 1.5 68 61 A A H X S+ 0 0 50 -4,-2.3 4,-2.2 1,-0.2 -1,-0.2 0.895 111.0 49.7 -53.5 -43.7 -18.6 -7.1 4.2 69 62 A A H X S+ 0 0 47 -4,-2.2 4,-1.1 1,-0.2 -1,-0.2 0.860 107.0 55.4 -64.6 -36.3 -17.9 -10.0 1.9 70 63 A A H X S+ 0 0 0 -4,-1.7 4,-2.3 -5,-0.2 5,-0.4 0.870 109.3 47.3 -64.6 -37.7 -14.5 -8.6 1.1 71 64 A I H X S+ 0 0 20 -4,-2.0 4,-2.8 1,-0.2 -2,-0.2 0.972 105.6 55.0 -68.0 -56.4 -13.6 -8.5 4.8 72 65 A D H < S+ 0 0 129 -4,-2.2 -1,-0.2 2,-0.2 -2,-0.2 0.795 123.7 31.1 -47.4 -30.3 -14.8 -12.1 5.6 73 66 A N H < S+ 0 0 107 -4,-1.1 -2,-0.2 -5,-0.2 -3,-0.2 0.903 119.5 45.0 -92.1 -74.9 -12.4 -13.2 2.8 74 67 A M H >< S+ 0 0 22 -4,-2.3 3,-2.6 -5,-0.2 -3,-0.2 0.757 89.0 117.0 -42.1 -26.7 -9.5 -10.8 2.6 75 68 A N T 3< S- 0 0 55 -4,-2.8 10,-0.2 -5,-0.4 3,-0.1 -0.236 96.2 -10.2 -49.8 121.0 -9.5 -11.2 6.4 76 69 A E T 3 S+ 0 0 117 8,-0.5 -1,-0.3 1,-0.1 9,-0.2 0.847 104.9 157.6 53.7 35.8 -6.2 -12.8 7.4 77 70 A S E < -D 84 0B 26 -3,-2.6 7,-0.9 7,-0.8 2,-0.6 -0.085 46.5-104.3 -79.7-176.0 -5.6 -13.4 3.7 78 71 A E E +D 83 0B 162 5,-0.2 2,-0.4 -3,-0.1 5,-0.2 -0.924 43.3 165.4-119.6 107.9 -2.3 -13.9 1.9 79 72 A L E > -D 82 0B 30 3,-2.9 3,-1.1 -2,-0.6 -55,-0.1 -0.981 69.2 -10.8-125.8 130.6 -0.9 -11.0 -0.1 80 73 A F T 3 S- 0 0 93 -2,-0.4 -1,-0.2 1,-0.3 3,-0.1 0.881 129.5 -54.8 52.2 41.6 2.7 -10.6 -1.4 81 74 A G T 3 S+ 0 0 66 1,-0.2 2,-0.3 -3,-0.1 -1,-0.3 0.804 122.0 103.6 63.9 29.1 3.7 -13.6 0.7 82 75 A R E < S-D 79 0B 130 -3,-1.1 -3,-2.9 -61,-0.0 2,-0.8 -0.944 74.8-115.3-139.5 159.9 2.3 -11.9 3.8 83 76 A T E -D 78 0B 105 -2,-0.3 2,-0.2 -5,-0.2 -5,-0.2 -0.844 34.4-169.5-101.4 105.0 -0.8 -12.1 6.0 84 77 A I E -D 77 0B 2 -7,-0.9 -7,-0.8 -2,-0.8 -8,-0.5 -0.612 12.9-135.0 -92.7 153.0 -2.8 -8.9 5.8 85 78 A R E -B 18 0A 134 -67,-1.6 -67,-2.8 -2,-0.2 2,-0.4 -0.863 15.4-165.2-110.2 142.2 -5.7 -8.0 8.1 86 79 A V E +B 17 0A 2 -2,-0.4 2,-0.3 -69,-0.2 -69,-0.2 -0.989 22.2 136.7-129.8 134.2 -9.1 -6.6 7.1 87 80 A N E -B 16 0A 93 -71,-1.6 -71,-3.0 -2,-0.4 3,-0.1 -0.982 57.3 -63.2-166.3 162.0 -11.8 -5.0 9.2 88 81 A L E -B 15 0A 70 -2,-0.3 -73,-0.2 -73,-0.2 -76,-0.1 -0.232 68.1 -93.0 -53.6 135.2 -14.2 -2.1 9.4 89 82 A A - 0 0 37 -75,-1.7 -1,-0.1 -78,-0.2 -75,-0.1 -0.252 46.2-115.0 -53.2 130.0 -12.5 1.3 9.4 90 83 A K - 0 0 145 1,-0.1 2,-0.6 -3,-0.1 -1,-0.1 -0.294 35.8 -91.7 -67.7 152.4 -11.9 2.4 13.0 91 84 A P - 0 0 122 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 -0.534 45.2-131.6 -69.8 112.6 -13.7 5.6 14.3 92 85 A M - 0 0 139 -2,-0.6 2,-0.2 -3,-0.1 -3,-0.0 0.097 20.1-163.2 -53.9 175.0 -11.4 8.6 13.7 93 86 A R + 0 0 195 2,-0.0 2,-0.2 0, 0.0 -1,-0.0 -0.636 12.4 169.4-170.3 105.1 -10.7 11.1 16.4 94 87 A I - 0 0 109 -2,-0.2 2,-0.3 2,-0.0 0, 0.0 -0.716 9.5-165.4-116.5 168.1 -9.3 14.6 16.0 95 88 A K - 0 0 170 -2,-0.2 2,-0.4 2,-0.0 -2,-0.0 -0.948 13.7-132.0-147.8 166.1 -8.9 17.6 18.3 96 89 A E - 0 0 144 -2,-0.3 2,-0.5 2,-0.0 -2,-0.0 -0.987 16.5-135.2-128.5 132.2 -8.2 21.4 18.2 97 90 A S + 0 0 131 -2,-0.4 -2,-0.0 2,-0.0 0, 0.0 -0.716 42.8 139.5 -87.5 127.7 -5.7 23.3 20.4 98 91 A G - 0 0 61 -2,-0.5 2,-0.2 0, 0.0 -2,-0.0 -0.993 53.7 -82.2-162.7 160.3 -6.9 26.5 21.8 99 92 A P - 0 0 130 0, 0.0 2,-0.3 0, 0.0 3,-0.1 -0.457 46.8-175.9 -69.7 134.1 -7.0 28.8 24.9 100 93 A S + 0 0 100 -2,-0.2 0, 0.0 1,-0.2 0, 0.0 -0.890 58.6 8.6-130.2 160.5 -9.5 27.9 27.6 101 94 A S 0 0 138 1,-0.3 -1,-0.2 -2,-0.3 0, 0.0 0.833 360.0 360.0 37.9 42.0 -10.7 29.4 30.9 102 95 A G 0 0 107 -3,-0.1 -1,-0.3 0, 0.0 -2,-0.0 0.163 360.0 360.0 121.6 360.0 -8.6 32.4 30.0