==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 12-SEP-07 2R99 . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE E; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.R.WALKER,T.DAVIS,E.M.NEWMAN,F.MACKENZIE,M.SUNDSTROM, . 164 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7550.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 105 64.0 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 . 51 31.1 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 . 1 0.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.2 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 . 13 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 8.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.6 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 1 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 . 3 0 2 3 0 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 1 138 A S 0 0 163 0, 0.0 23,-0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 142.9 31.5 30.1 20.6 2 139 A N - 0 0 44 1,-0.1 22,-0.1 20,-0.0 2,-0.0 0.101 360.0-123.2 -44.8 126.2 28.7 28.0 19.3 3 140 A P - 0 0 18 0, 0.0 20,-2.7 0, 0.0 2,-0.4 -0.313 17.5-151.9 -65.5 147.4 29.6 24.3 18.8 4 141 A Q E +A 22 0A 87 159,-0.5 159,-2.6 18,-0.2 2,-0.3 -0.991 19.2 177.2-119.6 135.5 29.2 22.7 15.4 5 142 A V E -AB 21 162A 0 16,-2.6 16,-2.9 -2,-0.4 2,-0.3 -0.827 12.3-147.8-130.4 168.6 28.5 19.0 15.2 6 143 A Y E -AB 20 161A 40 155,-2.4 155,-1.7 -2,-0.3 2,-0.4 -0.959 6.9-161.5-139.0 155.5 27.9 16.4 12.5 7 144 A M E -AB 19 160A 0 12,-2.2 12,-3.0 -2,-0.3 2,-0.5 -0.987 13.6-147.8-133.3 129.2 25.9 13.2 11.9 8 145 A D E -AB 18 159A 35 151,-3.0 150,-1.8 -2,-0.4 151,-1.2 -0.864 24.2-149.4 -93.4 128.6 26.7 10.8 9.0 9 146 A I E -AB 17 157A 4 8,-2.9 7,-3.2 -2,-0.5 8,-1.2 -0.822 15.4-168.4-109.1 137.4 23.5 9.2 7.9 10 147 A K E -AB 15 156A 40 146,-2.5 146,-2.9 -2,-0.4 2,-0.5 -0.990 5.4-163.7-121.7 130.0 22.9 5.7 6.4 11 148 A I E > -AB 14 155A 15 3,-3.0 3,-2.1 -2,-0.4 144,-0.2 -0.962 67.3 -34.1-117.2 122.3 19.5 4.9 4.9 12 149 A G T 3 S- 0 0 7 142,-2.7 144,-0.1 -2,-0.5 141,-0.0 -0.489 126.9 -32.8 58.7-136.3 18.9 1.2 4.4 13 150 A N T 3 S+ 0 0 144 -2,-0.1 -1,-0.3 2,-0.1 -3,-0.0 0.374 123.0 96.4 -92.1 15.7 22.3 -0.2 3.6 14 151 A K E < S-A 11 0A 149 -3,-2.1 -3,-3.0 2,-0.0 2,-0.1 -0.862 74.1-123.9-118.0 125.5 23.4 3.0 1.8 15 152 A P E -A 10 0A 108 0, 0.0 -5,-0.3 0, 0.0 3,-0.1 -0.403 23.4-174.8 -62.7 136.5 25.3 6.1 3.0 16 153 A A E - 0 0 19 -7,-3.2 2,-0.3 1,-0.4 -6,-0.2 0.677 41.0-104.9-105.5 -27.7 23.3 9.2 2.5 17 154 A G E -A 9 0A 32 -8,-1.2 -8,-2.9 120,-0.1 2,-0.4 -0.820 42.6 -50.5 130.2-167.4 25.8 11.9 3.5 18 155 A R E -A 8 0A 91 -2,-0.3 2,-0.5 -10,-0.2 -10,-0.2 -0.878 29.7-156.3-115.9 135.0 26.5 14.3 6.4 19 156 A I E -A 7 0A 0 -12,-3.0 -12,-2.2 -2,-0.4 2,-0.4 -0.935 14.2-159.5-105.3 128.6 24.3 16.7 8.2 20 157 A Q E -AC 6 133A 51 113,-2.7 112,-2.5 -2,-0.5 113,-1.3 -0.910 11.2-168.3-107.8 136.6 26.2 19.6 9.9 21 158 A M E -AC 5 131A 0 -16,-2.9 -16,-2.6 -2,-0.4 2,-0.5 -0.973 18.6-144.8-133.2 141.4 24.5 21.5 12.7 22 159 A L E -AC 4 130A 38 108,-2.9 108,-2.0 -2,-0.4 2,-0.5 -0.891 19.9-147.0-101.0 130.5 25.2 24.6 14.7 23 160 A L E - C 0 129A 0 -20,-2.7 2,-1.9 -2,-0.5 106,-0.3 -0.881 11.6-133.5-105.2 131.1 24.2 24.5 18.4 24 161 A R >> + 0 0 54 104,-2.9 4,-2.9 -2,-0.5 3,-1.2 -0.442 41.4 156.3 -87.4 67.6 22.9 27.7 20.0 25 162 A S T 34 S+ 0 0 36 -2,-1.9 -1,-0.2 1,-0.3 8,-0.1 0.759 71.1 65.4 -61.3 -24.6 24.9 27.6 23.2 26 163 A D T 34 S+ 0 0 97 -3,-0.2 -1,-0.3 2,-0.2 -2,-0.1 0.811 116.3 25.0 -65.7 -31.0 24.5 31.4 23.3 27 164 A V T <4 S+ 0 0 24 -3,-1.2 -2,-0.2 1,-0.2 -1,-0.1 0.833 140.8 18.0-100.9 -45.3 20.7 31.0 23.8 28 165 A V X + 0 0 0 -4,-2.9 4,-2.9 100,-0.1 5,-0.3 -0.638 67.5 168.6-131.5 72.9 20.3 27.6 25.4 29 166 A P H > S+ 0 0 68 0, 0.0 4,-2.5 0, 0.0 5,-0.2 0.868 77.5 47.3 -58.5 -41.8 23.7 26.5 26.8 30 167 A M H > S+ 0 0 81 2,-0.2 4,-1.9 1,-0.2 5,-0.1 0.899 115.5 45.7 -68.3 -38.5 22.5 23.5 28.8 31 168 A T H > S+ 0 0 0 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.916 114.8 47.2 -70.3 -44.6 20.5 22.1 25.9 32 169 A A H X S+ 0 0 0 -4,-2.9 4,-2.6 -8,-0.2 -2,-0.2 0.909 111.3 51.5 -63.0 -42.5 23.3 22.7 23.4 33 170 A E H X S+ 0 0 65 -4,-2.5 4,-2.6 -5,-0.3 5,-0.2 0.900 107.4 52.9 -65.2 -40.3 25.9 21.1 25.7 34 171 A N H X S+ 0 0 1 -4,-1.9 4,-2.1 2,-0.2 -1,-0.2 0.964 112.4 43.9 -56.0 -52.6 23.8 18.0 26.2 35 172 A F H X S+ 0 0 2 -4,-2.0 4,-1.6 1,-0.2 -2,-0.2 0.910 111.7 54.7 -63.7 -40.0 23.4 17.5 22.4 36 173 A R H X S+ 0 0 28 -4,-2.6 4,-1.9 1,-0.2 3,-0.5 0.948 109.8 45.8 -57.1 -49.8 27.1 18.3 21.8 37 174 A C H X>S+ 0 0 1 -4,-2.6 4,-2.2 1,-0.2 5,-0.6 0.845 108.8 55.9 -64.2 -34.6 28.2 15.6 24.3 38 175 A L H <5S+ 0 0 0 -4,-2.1 9,-2.5 -5,-0.2 10,-0.4 0.796 108.3 49.2 -70.9 -25.5 25.7 13.1 22.8 39 176 A C H <5S+ 0 0 1 -4,-1.6 -2,-0.2 -3,-0.5 -1,-0.2 0.846 118.7 37.2 -73.9 -38.6 27.4 13.7 19.4 40 177 A T H <5S- 0 0 41 -4,-1.9 -2,-0.2 121,-0.2 -3,-0.2 0.704 93.4-139.9 -86.7 -20.1 31.0 13.2 20.8 41 178 A H T ><5 + 0 0 64 -4,-2.2 3,-1.9 4,-0.2 -3,-0.1 0.640 54.1 142.4 66.4 20.2 30.2 10.4 23.3 42 179 A E T 3 < + 0 0 98 -5,-0.6 -4,-0.1 1,-0.3 4,-0.1 0.632 66.6 53.5 -71.6 -11.6 32.6 12.1 25.8 43 180 A K T 3 S- 0 0 121 2,-0.5 -1,-0.3 -6,-0.4 3,-0.1 0.362 128.8 -93.7-100.4 3.5 30.3 11.2 28.7 44 181 A G S < S+ 0 0 68 -3,-1.9 2,-0.3 1,-0.2 -2,-0.1 0.437 99.0 49.6 105.5 3.1 30.3 7.5 27.8 45 182 A F + 0 0 48 -8,-0.2 -2,-0.5 0, 0.0 2,-0.3 -0.965 58.5 129.8-159.8 162.1 27.1 7.2 25.7 46 183 A G - 0 0 7 -2,-0.3 -7,-0.2 2,-0.2 -8,-0.1 -0.984 60.3 -49.4 173.6-158.3 25.5 9.0 22.8 47 184 A F S > S+ 0 0 0 -9,-2.5 3,-2.5 -2,-0.3 110,-0.3 0.616 75.4 121.4 -82.3 -19.7 23.9 8.9 19.4 48 185 A K T 3 S+ 0 0 115 -10,-0.4 110,-0.2 1,-0.3 -2,-0.2 -0.267 86.7 8.4 -58.6 130.2 26.3 6.8 17.3 49 186 A G T 3 S+ 0 0 49 108,-3.3 -1,-0.3 1,-0.3 109,-0.1 0.298 101.7 121.2 84.6 -7.7 24.4 3.8 15.9 50 187 A S < - 0 0 4 -3,-2.5 107,-2.8 107,-0.2 -1,-0.3 -0.253 52.9-125.0 -81.6 176.5 21.0 5.0 16.9 51 188 A S B -D 156 0A 23 14,-0.3 2,-0.9 105,-0.2 13,-0.6 -0.721 15.9-115.2-123.4 162.9 18.0 5.6 14.6 52 189 A F E +E 63 0A 2 103,-2.3 103,-0.3 -2,-0.2 11,-0.3 -0.896 41.0 177.2 -93.1 102.4 15.5 8.1 13.5 53 190 A H E + 0 0 27 -2,-0.9 2,-0.4 9,-0.6 10,-0.2 0.574 61.6 42.5 -89.5 -11.5 12.5 6.1 14.7 54 191 A R E +E 62 0A 99 8,-1.4 8,-3.3 96,-0.1 2,-0.4 -0.958 63.7 169.6-140.2 115.6 9.6 8.6 13.9 55 192 A I E -E 61 0A 0 94,-2.4 91,-2.0 -2,-0.4 94,-0.3 -0.977 6.8-178.4-135.4 118.2 9.6 10.4 10.5 56 193 A I E >> -E 60 0A 24 4,-2.7 3,-1.7 -2,-0.4 4,-1.3 -0.967 30.2-120.9-123.6 114.1 6.6 12.4 9.3 57 194 A P T 34 S+ 0 0 37 0, 0.0 3,-0.1 0, 0.0 86,-0.1 -0.191 96.1 12.1 -55.3 142.5 6.8 14.0 5.8 58 195 A Q T 34 S+ 0 0 131 1,-0.2 56,-0.0 57,-0.1 59,-0.0 0.608 130.0 57.5 64.0 16.3 6.4 17.8 5.8 59 196 A F T <4 S- 0 0 42 -3,-1.7 56,-3.1 1,-0.1 57,-0.6 0.442 102.8 -49.7-134.6 -78.8 6.7 17.8 9.6 60 197 A M E < -EF 56 114A 4 -4,-1.3 -4,-2.7 54,-0.3 2,-0.5 -0.994 26.3-126.2-166.6 161.6 9.8 16.4 11.3 61 198 A C E -EF 55 113A 0 52,-2.1 52,-2.5 -2,-0.3 2,-0.4 -0.991 32.8-160.5-117.3 120.3 12.4 13.6 11.7 62 199 A Q E +EF 54 112A 25 -8,-3.3 -8,-1.4 -2,-0.5 -9,-0.6 -0.855 23.8 138.1-111.2 136.4 12.8 12.4 15.3 63 200 A G E +EF 52 111A 0 48,-2.6 48,-2.0 -2,-0.4 -11,-0.2 -0.695 23.6 100.5-146.7-162.8 15.7 10.5 16.8 64 201 A G + 0 0 0 -13,-0.6 2,-1.7 46,-0.3 11,-0.3 0.389 46.0 125.9 93.8 -1.8 17.9 10.3 19.9 65 202 A D > + 0 0 1 -14,-0.4 4,-1.1 1,-0.2 -14,-0.3 -0.620 25.4 160.1 -85.9 80.0 16.2 7.4 21.6 66 203 A F T 4 + 0 0 32 -2,-1.7 -1,-0.2 1,-0.2 -20,-0.1 0.440 67.9 46.2 -87.1 1.5 19.5 5.4 21.9 67 204 A T T 4 S+ 0 0 64 -3,-0.1 -1,-0.2 -17,-0.0 -2,-0.1 0.792 130.0 12.7-105.2 -44.4 18.2 3.2 24.7 68 205 A N T 4 S- 0 0 84 0, 0.0 -2,-0.1 0, 0.0 -3,-0.1 0.583 80.3-146.7-111.7 -17.4 14.7 2.1 23.6 69 206 A H S < S+ 0 0 96 -4,-1.1 -3,-0.1 1,-0.1 -4,-0.0 0.686 79.6 78.3 62.7 23.5 14.7 3.1 19.9 70 207 A N S S- 0 0 97 -7,-0.0 -1,-0.1 -16,-0.0 -4,-0.1 0.348 112.3 -88.2-144.0 4.2 10.9 3.9 20.0 71 208 A G S S+ 0 0 29 -6,-0.1 39,-0.1 29,-0.0 -8,-0.0 0.379 108.9 89.0 100.9 -1.7 10.4 7.3 21.6 72 209 A T S S+ 0 0 101 -7,-0.1 2,-0.1 0, 0.0 -7,-0.0 0.516 85.6 45.6-100.8 -8.1 10.1 6.0 25.2 73 210 A G + 0 0 16 2,-0.0 36,-0.3 -8,-0.0 37,-0.3 -0.154 51.9 106.4-119.8-152.5 13.8 6.2 26.1 74 211 A G - 0 0 19 -9,-0.1 2,-0.3 34,-0.1 -9,-0.1 -0.137 40.8-138.2 93.4 163.4 17.0 8.2 26.0 75 212 A K - 0 0 89 -11,-0.3 5,-0.2 -2,-0.1 33,-0.1 -0.969 8.5-126.8-157.1 148.2 18.8 10.1 28.7 76 213 A S B > -I 79 0B 3 3,-1.7 3,-1.0 4,-0.3 33,-0.1 -0.414 32.3-108.3 -87.4 170.5 20.6 13.5 29.1 77 214 A I T 3 S+ 0 0 40 1,-0.2 3,-0.1 31,-0.2 -1,-0.1 0.586 120.0 53.6 -70.6 -9.9 24.1 14.1 30.3 78 215 A Y T 3 S- 0 0 95 1,-0.5 2,-0.3 30,-0.1 -1,-0.2 0.445 125.9 -75.3-101.7 -5.6 22.5 15.5 33.5 79 216 A G B < S-I 76 0B 37 -3,-1.0 -3,-1.7 1,-0.2 -1,-0.5 -0.839 77.1 -39.4 130.4-174.5 20.3 12.6 34.4 80 217 A K S S+ 0 0 173 -2,-0.3 2,-0.3 -5,-0.2 -4,-0.3 0.895 121.2 7.3 -53.7 -46.5 17.0 11.3 33.0 81 218 A K - 0 0 117 -3,-0.2 2,-0.3 -6,-0.1 27,-0.2 -0.974 58.0-165.2-144.5 152.6 15.5 14.7 32.4 82 219 A F B -J 107 0C 10 25,-1.9 25,-1.8 -2,-0.3 3,-0.1 -0.955 32.5 -89.8-137.5 159.5 16.3 18.5 32.5 83 220 A D - 0 0 106 -2,-0.3 2,-0.6 23,-0.2 3,-0.1 -0.151 41.0-100.8 -65.5 154.0 14.3 21.7 32.4 84 221 A D - 0 0 24 1,-0.2 -1,-0.1 -53,-0.0 3,-0.1 -0.660 34.5-157.7 -66.8 115.3 13.1 23.7 29.4 85 222 A E - 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