==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER CHAPERONE, ISOMERASE 29-NOV-10 3PRA . COMPND 2 MOLECULE: FKBP-TYPE PEPTIDYL-PROLYL CIS-TRANS ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR E.MARTINEZ-HACKERT,W.A.HENDRICKSON . 300 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16557.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 213 71.0 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 . 90 30.0 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 . 6 2.0 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 . 34 11.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 42 14.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 6 2.0 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 1 1 2 0 1 1 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 2 0 5 5 2 0 0 1 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 2 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 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 M 0 0 145 0, 0.0 2,-0.4 0, 0.0 64,-0.2 0.000 360.0 360.0 360.0-147.8 -10.4 20.1 9.8 2 2 A V - 0 0 9 62,-1.2 2,-0.2 59,-0.4 62,-0.2 -0.686 360.0-151.0 -79.9 128.1 -10.2 16.7 8.0 3 3 A E > - 0 0 133 -2,-0.4 3,-1.7 1,-0.1 45,-0.2 -0.612 26.4 -71.3-108.2 163.1 -7.5 16.9 5.3 4 4 A K T 3 S+ 0 0 135 1,-0.2 45,-0.2 -2,-0.2 -1,-0.1 -0.213 114.6 20.5 -57.0 127.0 -6.9 15.2 1.9 5 5 A G T 3 S+ 0 0 4 43,-2.6 2,-0.5 1,-0.3 -1,-0.2 0.351 82.8 137.2 99.9 -3.6 -6.0 11.5 2.1 6 6 A K < - 0 0 69 -3,-1.7 42,-2.0 42,-0.2 2,-1.0 -0.655 56.7-127.7 -79.7 121.3 -7.4 10.8 5.5 7 7 A M E +A 47 0A 3 -2,-0.5 142,-2.0 142,-0.4 2,-0.3 -0.585 40.7 171.1 -71.8 102.3 -9.3 7.5 5.6 8 8 A V E -AB 46 148A 0 38,-2.7 38,-3.1 -2,-1.0 2,-0.5 -0.823 31.4-134.1-108.9 151.8 -12.7 8.5 7.2 9 9 A K E -AB 45 147A 33 138,-2.5 137,-1.4 -2,-0.3 138,-1.2 -0.918 31.9-164.9-100.9 133.4 -15.8 6.4 7.5 10 10 A I E -AB 44 145A 0 34,-3.4 34,-2.1 -2,-0.5 2,-0.4 -0.942 21.0-153.9-128.2 144.1 -19.0 8.3 6.5 11 11 A S E + B 0 144A 12 133,-4.0 133,-3.5 -2,-0.4 2,-0.4 -0.923 26.6 176.8-106.7 135.4 -22.8 8.1 6.8 12 12 A Y E - B 0 143A 46 -2,-0.4 12,-0.9 131,-0.2 13,-0.3 -0.989 25.0-175.1-147.3 139.3 -24.9 9.8 4.1 13 13 A D - 0 0 8 129,-2.9 128,-0.1 -2,-0.4 -1,-0.1 0.576 19.5-175.1 -90.2-114.1 -28.5 10.3 3.1 14 14 A G - 0 0 0 126,-0.2 7,-1.7 7,-0.1 8,-1.4 0.431 6.9-158.9 113.6 109.4 -29.0 12.1 -0.2 15 15 A Y E -CD 20 140A 38 125,-3.3 125,-2.5 5,-0.3 2,-0.4 -0.879 6.0-168.7-119.2 141.7 -32.3 13.3 -1.9 16 16 A V E > S-CD 19 139A 11 3,-2.4 3,-0.5 -2,-0.3 123,-0.1 -0.986 77.4 -8.1-129.6 128.2 -33.2 14.2 -5.5 17 17 A D T 3 S- 0 0 100 121,-0.6 2,-1.5 -2,-0.4 -1,-0.1 0.909 126.9 -57.5 57.3 48.9 -36.5 15.9 -6.4 18 18 A G T 3 S+ 0 0 70 1,-0.2 -1,-0.3 -3,-0.1 2,-0.0 -0.360 121.5 92.6 83.7 -55.2 -37.9 15.5 -2.9 19 19 A K E < S-C 16 0A 141 -2,-1.5 -3,-2.4 -3,-0.5 2,-0.4 -0.302 82.8-109.2 -71.3 154.6 -37.6 11.7 -2.8 20 20 A L E +C 15 0A 4 -5,-0.3 -5,-0.3 1,-0.1 3,-0.1 -0.740 33.0 176.0 -88.3 128.9 -34.5 9.9 -1.4 21 21 A F + 0 0 63 -7,-1.7 2,-0.3 -2,-0.4 -6,-0.2 0.499 65.5 19.1-110.4 -8.6 -32.2 8.2 -4.0 22 22 A D + 0 0 38 -8,-1.4 -1,-0.3 0, 0.0 2,-0.3 -0.952 62.3 154.6-165.6 140.0 -29.3 7.0 -1.8 23 23 A T - 0 0 3 -2,-0.3 -10,-0.2 -3,-0.1 -9,-0.0 -0.982 40.2-144.7-161.7 160.8 -28.6 6.3 1.9 24 24 A T S S+ 0 0 9 -12,-0.9 18,-2.3 -2,-0.3 2,-0.8 0.416 82.3 94.4-104.4 -8.3 -26.4 4.3 4.4 25 25 A N > - 0 0 70 -13,-0.3 4,-1.3 1,-0.2 3,-0.1 -0.784 54.8-172.1 -86.4 106.2 -29.4 4.0 6.8 26 26 A E H > S+ 0 0 77 -2,-0.8 4,-1.8 2,-0.2 5,-0.2 0.825 85.8 57.8 -68.8 -32.0 -31.2 0.7 6.0 27 27 A E H > S+ 0 0 155 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.853 111.2 42.1 -64.7 -37.5 -34.1 1.6 8.3 28 28 A L H > S+ 0 0 41 2,-0.2 4,-1.9 1,-0.2 -1,-0.2 0.706 108.3 62.1 -79.3 -24.7 -34.7 4.8 6.2 29 29 A A H <>S+ 0 0 0 -4,-1.3 5,-2.7 2,-0.2 6,-2.3 0.865 108.7 40.9 -68.7 -39.4 -34.1 2.7 3.0 30 30 A K H ><5S+ 0 0 103 -4,-1.8 3,-0.7 3,-0.2 -2,-0.2 0.915 114.3 52.6 -69.7 -47.2 -37.2 0.5 3.9 31 31 A K H 3<5S+ 0 0 175 -4,-1.5 -2,-0.2 1,-0.3 -3,-0.1 0.828 113.1 43.0 -60.2 -37.9 -39.3 3.5 5.1 32 32 A E T 3<5S- 0 0 90 -4,-1.9 -1,-0.3 -5,-0.1 -2,-0.2 0.566 112.7-120.8 -85.1 -10.8 -38.7 5.5 1.8 33 33 A G T < 5S+ 0 0 66 -3,-0.7 -3,-0.2 -4,-0.4 -2,-0.1 0.906 86.1 103.3 71.5 45.0 -39.2 2.3 -0.3 34 34 A I < + 0 0 63 -5,-2.7 -4,-0.2 -6,-0.1 -5,-0.1 0.436 37.9 142.6-127.4 -11.4 -35.8 2.3 -2.0 35 35 A Y - 0 0 86 -6,-2.3 -9,-0.0 -9,-0.1 3,-0.0 -0.091 34.7-159.4 -43.8 108.6 -34.0 -0.5 -0.0 36 36 A N > - 0 0 80 1,-0.1 3,-1.0 2,-0.0 -1,-0.1 -0.868 10.2-148.7 -92.6 116.4 -31.8 -2.5 -2.4 37 37 A P T 3 S+ 0 0 103 0, 0.0 -1,-0.1 0, 0.0 -2,-0.1 0.704 95.5 58.7 -57.9 -22.7 -31.0 -5.9 -0.8 38 38 A A T 3 S+ 0 0 92 2,-0.1 2,-0.4 -3,-0.0 -3,-0.0 -0.213 84.3 111.5-101.9 41.1 -27.6 -6.0 -2.6 39 39 A M S < S- 0 0 79 -3,-1.0 2,-1.1 -15,-0.0 -15,-0.0 -0.949 70.4-124.5-120.3 135.1 -26.4 -2.7 -1.0 40 40 A I - 0 0 129 -2,-0.4 2,-0.1 223,-0.0 -2,-0.1 -0.655 40.1-162.9 -78.9 98.2 -23.5 -2.4 1.6 41 41 A Y + 0 0 42 -2,-1.1 -16,-0.1 3,-0.0 -17,-0.1 -0.284 43.3 44.1 -87.6 169.6 -25.3 -0.6 4.5 42 42 A G S S- 0 0 25 -18,-2.3 -32,-0.1 -2,-0.1 -17,-0.1 -0.214 105.3 -26.8 83.3 174.3 -23.9 1.3 7.4 43 43 A P - 0 0 48 0, 0.0 2,-0.3 0, 0.0 -32,-0.2 -0.270 63.8-152.0 -55.1 141.2 -21.0 3.9 7.2 44 44 A V E -A 10 0A 23 -34,-2.1 -34,-3.4 220,-0.0 2,-0.3 -0.890 14.2-114.1-117.8 153.5 -18.4 3.4 4.4 45 45 A A E +A 9 0A 2 -2,-0.3 2,-0.3 -36,-0.3 -36,-0.3 -0.651 37.4 162.8 -91.7 137.7 -14.7 4.3 4.2 46 46 A I E -A 8 0A 8 -38,-3.1 -38,-2.7 -2,-0.3 2,-0.8 -0.965 41.8-115.3-143.8 159.4 -13.2 7.0 1.9 47 47 A F E > -A 7 0A 5 -2,-0.3 3,-0.8 -40,-0.2 5,-0.4 -0.896 46.3-119.4 -95.4 109.8 -10.1 9.0 1.5 48 48 A A T 3 S+ 0 0 0 -42,-2.0 -43,-2.6 -2,-0.8 -42,-0.2 -0.153 89.9 15.3 -53.4 138.7 -11.3 12.6 1.9 49 49 A G T 3 S+ 0 0 12 -45,-0.2 -1,-0.2 9,-0.1 -45,-0.1 0.767 94.9 107.4 70.8 33.3 -10.7 15.0 -1.0 50 50 A E S < S- 0 0 60 -3,-0.8 -3,-0.1 -46,-0.0 -2,-0.1 -0.058 92.2-101.3-136.6 32.0 -10.0 12.3 -3.6 51 51 A G S S+ 0 0 63 1,-0.1 -3,-0.1 4,-0.1 7,-0.0 0.554 84.8 124.5 63.6 10.4 -13.0 12.1 -5.9 52 52 A Q S S+ 0 0 85 -5,-0.4 2,-0.3 2,-0.1 -1,-0.1 0.643 79.1 28.2 -74.6 -14.9 -14.4 9.0 -4.2 53 53 A V S S- 0 0 22 1,-0.1 5,-0.1 2,-0.0 -2,-0.1 -0.839 113.7 -61.3-132.5 170.9 -17.6 10.9 -3.6 54 54 A L >> - 0 0 28 -2,-0.3 4,-2.3 1,-0.1 3,-0.7 -0.207 55.6-110.5 -51.8 146.5 -19.4 13.7 -5.5 55 55 A P H 3> S+ 0 0 64 0, 0.0 4,-2.0 0, 0.0 24,-0.2 0.858 118.4 49.7 -49.8 -44.7 -17.3 16.9 -5.6 56 56 A G H 3> S+ 0 0 6 22,-2.3 4,-1.8 1,-0.2 5,-0.1 0.768 109.9 51.2 -69.6 -30.0 -19.6 18.8 -3.2 57 57 A L H <> S+ 0 0 3 -3,-0.7 4,-2.4 21,-0.4 -1,-0.2 0.889 108.4 51.9 -67.3 -44.1 -19.6 15.9 -0.7 58 58 A D H X S+ 0 0 14 -4,-2.3 4,-1.6 2,-0.2 -2,-0.2 0.907 110.9 48.8 -56.8 -45.0 -15.7 15.9 -0.9 59 59 A E H X S+ 0 0 85 -4,-2.0 4,-1.0 2,-0.2 -2,-0.2 0.909 111.4 47.1 -63.7 -49.0 -15.7 19.7 -0.1 60 60 A A H >< S+ 0 0 5 -4,-1.8 3,-0.9 1,-0.2 -1,-0.2 0.926 110.4 53.8 -59.4 -45.1 -18.1 19.4 2.9 61 61 A I H >< S+ 0 0 0 -4,-2.4 3,-1.1 1,-0.2 -59,-0.4 0.845 105.3 54.6 -57.6 -36.5 -16.1 16.5 4.3 62 62 A L H 3< S+ 0 0 53 -4,-1.6 -1,-0.2 1,-0.3 -2,-0.2 0.719 110.0 46.6 -71.2 -23.7 -12.9 18.6 4.1 63 63 A E T << S+ 0 0 96 -4,-1.0 -1,-0.3 -3,-0.9 2,-0.2 -0.103 104.1 83.6-108.3 33.8 -14.5 21.3 6.2 64 64 A M < - 0 0 0 -3,-1.1 -62,-1.2 -62,-0.2 2,-0.3 -0.780 68.2-123.9-128.6 172.6 -16.0 19.0 8.8 65 65 A D > - 0 0 85 -2,-0.2 3,-2.2 -64,-0.2 2,-0.4 -0.811 38.5 -85.3-119.7 161.1 -14.9 17.2 12.0 66 66 A V T 3 S+ 0 0 71 -2,-0.3 80,-0.2 1,-0.3 3,-0.1 -0.486 120.3 17.5 -68.2 118.0 -14.9 13.6 13.2 67 67 A G T 3 S+ 0 0 42 78,-2.8 -1,-0.3 -2,-0.4 2,-0.1 0.157 98.3 128.9 102.2 -16.4 -18.4 12.9 14.6 68 68 A E < - 0 0 61 -3,-2.2 77,-1.9 77,-0.1 2,-0.4 -0.424 40.7-160.0 -75.9 146.8 -19.9 16.0 12.8 69 69 A E E +E 144 0A 94 75,-0.2 2,-0.3 -2,-0.1 75,-0.2 -0.983 11.3 178.5-126.5 138.1 -23.1 15.8 10.7 70 70 A R E -E 143 0A 68 73,-2.9 73,-2.8 -2,-0.4 2,-0.5 -0.964 27.8-134.5-136.6 153.4 -24.3 18.3 8.1 71 71 A E E -E 142 0A 86 -2,-0.3 2,-0.4 71,-0.3 71,-0.3 -0.952 34.0-169.9-101.9 124.6 -27.1 18.8 5.7 72 72 A V E -E 141 0A 16 69,-4.0 69,-3.2 -2,-0.5 2,-0.6 -0.972 19.9-148.4-126.0 132.4 -25.7 19.9 2.3 73 73 A V E -E 140 0A 83 -2,-0.4 67,-0.2 67,-0.2 -2,-0.0 -0.869 17.3-161.6 -93.3 121.3 -27.3 21.2 -0.9 74 74 A L E -E 139 0A 6 65,-3.4 65,-2.4 -2,-0.6 5,-0.1 -0.919 6.1-149.1-109.4 114.7 -25.4 20.3 -4.0 75 75 A P >> - 0 0 44 0, 0.0 3,-2.4 0, 0.0 4,-1.2 -0.403 39.7 -96.0 -69.6 156.7 -26.0 22.2 -7.3 76 76 A P G >4>S+ 0 0 26 0, 0.0 5,-2.3 0, 0.0 3,-0.7 0.832 125.1 58.9 -43.9 -45.6 -25.6 20.2 -10.5 77 77 A E G 345S+ 0 0 100 1,-0.2 5,-0.1 4,-0.2 61,-0.0 0.767 113.3 39.9 -54.2 -28.8 -22.0 21.4 -11.0 78 78 A K G <45S+ 0 0 75 -3,-2.4 -22,-2.3 3,-0.1 -21,-0.4 0.583 121.3 42.7 -98.4 -15.5 -21.2 19.9 -7.6 79 79 A A T <<5S- 0 0 6 -4,-1.2 3,-0.1 -3,-0.7 56,-0.1 0.504 132.6 -28.1 -97.2-119.2 -23.3 16.7 -7.9 80 80 A F T 5S- 0 0 61 57,-0.4 52,-0.2 54,-0.3 55,-0.2 0.350 102.3-102.7 -86.9 7.2 -23.4 14.5 -11.1 81 81 A G < - 0 0 22 -5,-2.3 55,-3.2 -6,-0.2 56,-0.4 -0.148 41.5 -60.3 101.1 165.3 -22.7 17.6 -13.3 82 82 A K - 0 0 130 53,-0.3 2,-0.3 54,-0.1 53,-0.1 -0.491 62.6 -96.5 -73.9 155.0 -24.7 19.9 -15.6 83 83 A R - 0 0 107 -2,-0.1 -1,-0.1 52,-0.1 -2,-0.1 -0.603 38.4-150.9 -71.2 135.3 -26.5 18.4 -18.5 84 84 A D > - 0 0 50 -2,-0.3 3,-1.9 1,-0.1 47,-0.1 -0.970 8.3-153.3-115.1 115.1 -24.3 18.8 -21.6 85 85 A P G > S+ 0 0 99 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 0.709 92.3 69.0 -58.8 -25.2 -26.2 19.0 -24.9 86 86 A S G 3 S+ 0 0 52 1,-0.3 72,-0.1 -3,-0.0 -3,-0.0 0.659 88.2 66.0 -69.5 -14.0 -23.2 17.6 -26.8 87 87 A K G < S+ 0 0 21 -3,-1.9 43,-3.1 2,-0.1 2,-0.7 0.399 80.8 90.2 -87.4 4.2 -23.9 14.2 -25.1 88 88 A I E < +F 129 0B 64 -3,-1.5 2,-0.3 41,-0.3 41,-0.2 -0.902 65.6 179.8 -99.4 106.8 -27.2 14.1 -27.0 89 89 A K E -F 128 0B 15 39,-2.8 39,-3.6 -2,-0.7 2,-0.6 -0.795 30.3-132.0-117.0 150.4 -26.2 12.2 -30.2 90 90 A L E -F 127 0B 103 -2,-0.3 37,-0.3 37,-0.2 -2,-0.0 -0.918 30.8-175.3-105.4 115.6 -28.1 11.1 -33.3 91 91 A I E -F 126 0B 9 35,-4.1 35,-3.3 -2,-0.6 5,-0.1 -0.928 28.7-107.3-118.8 132.4 -27.4 7.5 -34.2 92 92 A P E >> -F 125 0B 71 0, 0.0 3,-1.2 0, 0.0 4,-0.6 -0.293 24.0-127.6 -56.6 135.6 -28.5 5.5 -37.2 93 93 A L H >> S+ 0 0 61 31,-3.1 4,-1.9 1,-0.2 3,-1.9 0.856 107.5 65.8 -48.7 -41.7 -31.2 2.8 -36.5 94 94 A S H 3> S+ 0 0 76 30,-0.3 4,-2.3 1,-0.3 -1,-0.2 0.832 91.2 62.8 -53.0 -38.8 -29.0 0.2 -38.2 95 95 A E H <4 S+ 0 0 42 -3,-1.2 -1,-0.3 1,-0.2 4,-0.2 0.774 109.2 42.0 -56.0 -30.3 -26.4 0.6 -35.4 96 96 A F H X<>S+ 0 0 2 -3,-1.9 5,-3.1 -4,-0.6 3,-0.6 0.855 111.1 54.1 -84.1 -41.6 -29.1 -0.6 -32.9 97 97 A T H ><5S+ 0 0 83 -4,-1.9 3,-2.5 1,-0.2 -2,-0.2 0.950 105.7 51.6 -56.7 -54.5 -30.5 -3.5 -35.1 98 98 A K T 3<5S+ 0 0 150 -4,-2.3 -1,-0.2 1,-0.3 -2,-0.1 0.663 109.7 51.5 -59.8 -20.7 -27.1 -5.1 -35.7 99 99 A R T < 5S- 0 0 86 -3,-0.6 -1,-0.3 -5,-0.2 -2,-0.2 0.341 120.8-107.8 -98.6 5.3 -26.6 -5.2 -31.9 100 100 A G T < 5S+ 0 0 73 -3,-2.5 2,-0.5 1,-0.2 -3,-0.2 0.725 74.5 139.0 73.4 26.2 -30.0 -6.8 -31.3 101 101 A I < - 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