==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-MAR-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 26-JUN-12 4FRU . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: EQUUS CABALLUS; . AUTHOR S.P.BOUDKO,Y.ISHIKAWA,H.P.BACHINGER . 185 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9336.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 115 62.2 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 . 59 31.9 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 . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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-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 7.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 8.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 20 10.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 4 0 3 2 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 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 -1 A A 0 0 126 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 154.6 14.3 7.6 45.1 2 0 A M - 0 0 188 1,-0.1 4,-0.1 3,-0.0 0, 0.0 0.733 360.0-155.3 -77.3 -20.3 17.1 9.4 43.2 3 1 A D > + 0 0 85 1,-0.1 3,-1.8 2,-0.1 4,-0.3 0.797 31.3 160.6 58.2 34.8 18.0 6.1 41.6 4 2 A E G > S+ 0 0 168 1,-0.3 3,-0.9 2,-0.2 -1,-0.1 0.884 78.7 48.8 -51.8 -39.1 21.7 7.1 40.9 5 3 A K G 3 S+ 0 0 102 1,-0.2 -1,-0.3 0, 0.0 -2,-0.1 0.523 105.5 59.0 -81.9 -6.3 22.4 3.3 40.5 6 4 A K G < + 0 0 85 -3,-1.8 178,-0.6 -4,-0.1 -1,-0.2 0.249 69.6 132.9-108.4 10.3 19.4 2.8 38.2 7 5 A K E < -A 183 0A 131 -3,-0.9 176,-0.2 -4,-0.3 3,-0.1 -0.378 42.2-154.7 -58.4 138.1 20.4 5.2 35.4 8 6 A G E - 0 0 15 174,-1.7 175,-0.1 1,-0.3 -1,-0.1 -0.078 35.4 -39.9 -98.5-156.3 20.1 3.5 32.0 9 7 A P E - 0 0 11 0, 0.0 173,-1.9 0, 0.0 2,-0.5 -0.257 60.1-109.0 -71.3 158.0 21.8 4.1 28.7 10 8 A K E -A 181 0A 106 171,-0.2 2,-0.5 -3,-0.1 26,-0.5 -0.731 17.7-133.8 -91.2 130.0 22.6 7.4 27.2 11 9 A V E +A 180 0A 0 169,-3.1 169,-1.4 -2,-0.5 23,-0.2 -0.707 31.2 169.0 -75.3 120.3 20.8 8.9 24.3 12 10 A T E + 0 0 32 21,-2.7 164,-0.6 -2,-0.5 2,-0.3 0.543 63.3 2.9-111.7 -15.1 23.5 10.2 22.0 13 11 A V E -AB 175 33A 19 20,-0.8 20,-2.6 162,-0.2 -1,-0.4 -0.947 66.9-138.2-165.3 157.2 21.5 10.9 18.8 14 12 A K E -AB 174 32A 42 160,-2.4 160,-2.7 -2,-0.3 2,-0.4 -0.913 3.8-156.6-124.9 157.5 17.9 10.7 17.7 15 13 A V E -AB 173 31A 0 16,-2.1 16,-3.1 -2,-0.3 2,-0.4 -0.988 11.7-152.3-127.2 140.1 16.0 9.6 14.6 16 14 A Y E -AB 172 30A 43 156,-2.2 156,-1.5 -2,-0.4 2,-0.4 -0.903 6.4-167.4-109.1 146.8 12.6 10.8 13.6 17 15 A F E -AB 171 29A 1 12,-2.5 12,-2.8 -2,-0.4 2,-0.6 -0.996 8.7-156.6-125.3 124.5 10.0 9.0 11.5 18 16 A D E -AB 170 28A 37 152,-2.9 151,-1.8 -2,-0.4 152,-1.3 -0.915 28.2-154.0 -96.0 119.3 6.9 10.8 10.1 19 17 A L E -AB 168 27A 3 8,-2.8 7,-2.6 -2,-0.6 8,-0.8 -0.656 18.7-169.5-105.0 153.4 4.3 8.1 9.6 20 18 A R E -AB 167 25A 91 147,-2.1 147,-1.8 5,-0.3 2,-0.5 -0.980 13.9-154.8-130.1 147.6 1.3 7.5 7.4 21 19 A I E > S-AB 166 24A 27 3,-2.2 3,-2.3 -2,-0.3 145,-0.2 -0.996 81.0 -38.6-116.7 120.2 -1.4 4.9 7.4 22 20 A G T 3 S- 0 0 32 143,-2.8 145,-0.2 -2,-0.5 142,-0.0 -0.438 126.6 -28.8 56.7-131.9 -2.7 4.8 3.8 23 21 A D T 3 S+ 0 0 158 -2,-0.1 2,-0.6 -3,-0.1 -1,-0.3 0.254 115.4 107.5 -96.3 14.2 -2.6 8.4 2.7 24 22 A E E < -B 21 0A 125 -3,-2.3 -3,-2.2 2,-0.0 2,-0.3 -0.818 66.1-137.5 -98.3 121.0 -3.2 9.8 6.1 25 23 A D E +B 20 0A 109 -2,-0.6 -5,-0.3 -5,-0.2 3,-0.1 -0.580 24.7 178.1 -67.1 127.4 -0.4 11.6 8.0 26 24 A I E - 0 0 22 -7,-2.6 2,-0.2 1,-0.4 -6,-0.2 0.467 41.5 -91.8-118.6 -3.5 -0.6 10.3 11.6 27 25 A G E -B 19 0A 32 -8,-0.8 -8,-2.8 2,-0.0 2,-0.4 -0.660 44.1 -54.3 125.0-177.4 2.4 12.0 13.3 28 26 A R E -B 18 0A 108 -10,-0.2 2,-0.4 -2,-0.2 119,-0.2 -0.839 27.4-161.4-110.3 136.8 6.0 11.8 14.3 29 27 A V E -B 17 0A 1 -12,-2.8 -12,-2.5 -2,-0.4 2,-0.5 -0.966 9.9-161.3-110.1 131.2 7.9 9.2 16.3 30 28 A V E -BC 16 143A 4 113,-2.5 112,-3.0 -2,-0.4 113,-1.6 -0.974 5.7-162.4-116.5 124.2 11.3 10.3 17.8 31 29 A I E -BC 15 141A 0 -16,-3.1 -16,-2.1 -2,-0.5 2,-0.4 -0.916 9.2-146.1-109.2 125.2 13.7 7.5 18.8 32 30 A G E -BC 14 140A 0 108,-2.9 108,-2.2 -2,-0.5 2,-0.4 -0.766 21.0-149.2 -87.7 138.5 16.6 8.1 21.1 33 31 A L E -BC 13 139A 0 -20,-2.6 -21,-2.7 -2,-0.4 2,-1.3 -0.871 12.9-134.2-122.1 141.6 19.6 5.9 20.2 34 32 A F > + 0 0 0 104,-2.3 4,-2.7 -2,-0.4 3,-0.4 -0.558 33.5 164.0 -98.9 73.0 22.3 4.5 22.5 35 33 A G T 4 S+ 0 0 14 -2,-1.3 -1,-0.2 1,-0.2 8,-0.1 0.653 74.0 52.2 -70.5 -19.0 25.5 5.2 20.6 36 34 A K T 4 S+ 0 0 112 -26,-0.5 -1,-0.2 -3,-0.1 -2,-0.1 0.810 116.2 40.5 -79.6 -32.5 27.8 4.6 23.5 37 35 A T T 4 S+ 0 0 26 -3,-0.4 -2,-0.2 -27,-0.3 61,-0.1 0.904 136.8 10.5 -81.7 -44.7 26.3 1.2 24.2 38 36 A V S X S+ 0 0 0 -4,-2.7 4,-2.7 100,-0.1 5,-0.2 -0.558 70.5 163.0-136.9 66.3 25.8 -0.1 20.6 39 37 A P H > S+ 0 0 54 0, 0.0 4,-2.8 0, 0.0 5,-0.2 0.875 75.5 50.1 -58.8 -41.0 27.7 2.3 18.3 40 38 A K H > S+ 0 0 132 2,-0.2 4,-1.7 1,-0.2 5,-0.1 0.912 114.3 44.5 -66.2 -41.7 27.8 -0.0 15.3 41 39 A T H > S+ 0 0 0 2,-0.2 4,-2.1 1,-0.2 -1,-0.2 0.912 115.7 47.6 -69.4 -41.6 24.1 -0.8 15.4 42 40 A V H X S+ 0 0 1 -4,-2.7 4,-2.8 1,-0.2 5,-0.2 0.937 108.9 53.6 -63.6 -45.7 23.2 2.8 16.0 43 41 A D H X S+ 0 0 92 -4,-2.8 4,-2.2 -5,-0.2 -1,-0.2 0.873 108.8 50.1 -60.5 -38.1 25.4 4.0 13.2 44 42 A N H X S+ 0 0 0 -4,-1.7 4,-2.2 -5,-0.2 -1,-0.2 0.959 112.1 46.5 -60.8 -52.0 23.7 1.6 10.8 45 43 A F H X S+ 0 0 0 -4,-2.1 4,-1.8 1,-0.2 -2,-0.2 0.911 113.4 48.9 -59.3 -44.1 20.2 2.8 11.8 46 44 A V H X S+ 0 0 10 -4,-2.8 4,-2.2 1,-0.2 -1,-0.2 0.927 110.9 49.4 -63.2 -46.2 21.1 6.5 11.6 47 45 A A H X>S+ 0 0 5 -4,-2.2 4,-1.7 -5,-0.2 5,-0.7 0.860 110.4 51.0 -62.8 -35.4 22.7 6.1 8.1 48 46 A L H <5S+ 0 0 1 -4,-2.2 9,-2.0 2,-0.2 10,-0.5 0.843 109.5 51.6 -71.1 -30.0 19.6 4.2 6.9 49 47 A A H <5S+ 0 0 3 -4,-1.8 -2,-0.2 -5,-0.2 -1,-0.2 0.862 114.5 41.3 -72.5 -34.8 17.4 7.1 8.3 50 48 A T H <5S- 0 0 56 -4,-2.2 -2,-0.2 122,-0.1 -1,-0.2 0.751 98.5-138.7 -80.1 -24.9 19.5 9.7 6.5 51 49 A G T ><5 + 0 0 28 -4,-1.7 3,-2.4 -5,-0.2 4,-0.2 0.555 53.0 144.4 76.9 12.2 19.7 7.6 3.3 52 50 A E T 3 < + 0 0 120 -5,-0.7 -4,-0.1 1,-0.3 4,-0.1 0.643 63.0 56.5 -65.8 -18.3 23.4 8.7 2.9 53 51 A K T 3 S- 0 0 114 2,-0.5 -1,-0.3 -6,-0.5 3,-0.1 0.448 126.1 -96.0 -88.7 0.4 24.6 5.4 1.5 54 52 A G S < S+ 0 0 71 -3,-2.4 2,-0.3 1,-0.3 -2,-0.2 0.538 102.2 58.6 97.8 9.2 22.1 5.6 -1.3 55 53 A F + 0 0 53 -8,-0.2 -2,-0.5 -4,-0.2 -1,-0.3 -0.959 59.8 114.9-157.7 161.5 19.4 3.4 0.3 56 54 A G - 0 0 13 -2,-0.3 -7,-0.2 2,-0.1 -8,-0.1 -0.996 65.2 -43.9 161.5-162.2 17.4 3.5 3.5 57 55 A Y S > S+ 0 0 0 -9,-2.0 3,-2.5 -2,-0.3 111,-0.3 0.613 74.9 121.3 -79.1 -19.9 14.1 3.8 5.3 58 56 A K T 3 S+ 0 0 127 -10,-0.5 111,-0.2 1,-0.3 -2,-0.1 -0.279 90.3 1.3 -58.3 129.4 12.3 6.6 3.6 59 57 A D T 3 S+ 0 0 97 109,-3.5 -1,-0.3 1,-0.3 110,-0.1 0.482 99.6 131.0 69.5 12.4 9.0 5.4 2.2 60 58 A S < - 0 0 10 -3,-2.5 108,-2.5 108,-0.2 -1,-0.3 -0.354 49.5-124.4 -79.9 170.2 9.4 1.9 3.5 61 59 A K B -D 167 0A 43 14,-0.3 2,-1.0 106,-0.2 13,-0.6 -0.723 13.1-117.2-120.2 163.6 6.7 0.2 5.4 62 60 A F + 0 0 1 104,-2.4 104,-0.4 -2,-0.3 11,-0.3 -0.865 39.2 179.2 -91.5 96.7 5.9 -1.5 8.7 63 61 A H + 0 0 17 -2,-1.0 2,-0.4 9,-0.4 10,-0.2 0.603 61.1 43.0 -84.6 -12.0 5.0 -4.8 7.1 64 62 A R E +E 72 0A 97 8,-1.5 8,-2.9 97,-0.2 2,-0.4 -0.985 61.5 173.9-141.1 124.0 4.2 -6.7 10.3 65 63 A V E -E 71 0A 2 95,-2.6 2,-0.5 -2,-0.4 6,-0.2 -0.999 5.8-176.6-133.7 125.2 2.2 -5.4 13.2 66 64 A I E >> -E 70 0A 39 4,-2.7 4,-1.6 -2,-0.4 3,-1.5 -0.954 26.9-128.9-127.2 110.3 1.1 -7.5 16.2 67 65 A K T 34 S+ 0 0 122 -2,-0.5 86,-0.1 1,-0.3 82,-0.0 -0.268 94.2 17.4 -57.3 139.7 -1.1 -5.8 18.8 68 66 A D T 34 S+ 0 0 95 1,-0.1 -1,-0.3 57,-0.1 56,-0.0 0.719 129.8 52.7 66.1 24.9 0.2 -6.1 22.3 69 67 A F T <4 S- 0 0 39 -3,-1.5 56,-2.6 1,-0.1 57,-0.8 0.306 103.8 -55.8-142.8 -74.7 3.7 -7.1 21.0 70 68 A M E < -EF 66 124A 4 -4,-1.6 -4,-2.7 54,-0.3 2,-0.4 -0.988 28.4-118.1-169.5 163.5 5.4 -4.9 18.5 71 69 A I E -EF 65 123A 1 52,-2.2 52,-2.6 -2,-0.3 2,-0.4 -0.980 31.7-158.4-117.4 139.8 5.5 -3.1 15.1 72 70 A Q E +EF 64 122A 18 -8,-2.9 -8,-1.5 -2,-0.4 -9,-0.4 -0.959 24.2 136.2-126.4 134.6 8.2 -4.2 12.6 73 71 A G E + F 0 121A 0 48,-2.4 48,-1.9 -2,-0.4 -11,-0.2 -0.677 21.8 105.8-147.5-160.4 9.7 -2.4 9.6 74 72 A G + 0 0 0 -13,-0.6 2,-1.6 46,-0.3 3,-0.1 0.406 42.5 128.5 94.9 -1.4 12.9 -1.6 7.8 75 73 A D > + 0 0 2 -14,-0.5 4,-1.3 1,-0.2 -14,-0.3 -0.628 22.8 161.1 -86.4 83.6 12.6 -3.9 4.8 76 74 A F T 4 + 0 0 41 -2,-1.6 -1,-0.2 1,-0.2 -20,-0.1 0.498 67.7 52.0 -86.5 -2.7 13.3 -1.2 2.2 77 75 A T T 4 S+ 0 0 68 -3,-0.1 -1,-0.2 -22,-0.1 -2,-0.1 0.805 131.7 4.2 -97.4 -34.8 14.3 -3.7 -0.5 78 76 A R T 4 S- 0 0 182 0, 0.0 -2,-0.2 0, 0.0 -3,-0.1 0.568 77.6-141.8-126.7 -16.9 11.2 -6.0 -0.5 79 77 A G S < S+ 0 0 17 -4,-1.3 -3,-0.1 1,-0.1 -4,-0.0 0.679 82.7 81.9 65.2 18.7 8.7 -4.6 2.0 80 78 A D S S- 0 0 90 -7,-0.0 -1,-0.1 81,-0.0 -4,-0.1 0.360 110.8 -92.2-137.1 5.1 7.8 -8.1 3.2 81 79 A G S S+ 0 0 31 -6,-0.1 39,-0.1 -17,-0.0 -2,-0.0 0.254 107.2 93.8 97.6 -12.0 10.4 -9.3 5.7 82 80 A T S S+ 0 0 107 -7,-0.1 2,-0.1 -4,-0.0 0, 0.0 0.629 85.0 40.1 -86.4 -13.5 12.5 -11.0 3.1 83 81 A G + 0 0 17 2,-0.0 36,-0.3 -8,-0.0 37,-0.3 -0.183 52.1 106.4-122.5-155.0 14.8 -8.1 2.4 84 82 A G - 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