==== 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 3PRD . COMPND 2 MOLECULE: FKBP-TYPE PEPTIDYL-PROLYL CIS-TRANS ISOMERASE; . SOURCE 2 ORGANISM_SCIENTIFIC: METHANOCALDOCOCCUS JANNASCHII; . AUTHOR E.MARTINEZ-HACKERT,W.A.HENDRICKSON . 223 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14099.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 155 69.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 8 3.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 53 23.8 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 . 4 1.8 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 . 27 12.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 11.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 36 16.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 0 0 0 1 0 0 1 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 4 2 1 0 0 0 1 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 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 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 0 136 0, 0.0 63,-0.1 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 -45.0 30.6 65.2 29.3 2 2 A V - 0 0 19 61,-0.1 3,-0.1 2,-0.0 62,-0.1 0.926 360.0-114.2 46.1 96.9 34.5 65.2 29.1 3 3 A E > - 0 0 114 1,-0.1 3,-1.3 2,-0.1 2,-0.2 -0.096 35.6 -91.0 -53.7 149.9 35.8 68.7 29.6 4 4 A K T 3 S+ 0 0 168 1,-0.2 45,-0.2 45,-0.1 -1,-0.1 -0.471 110.5 24.9 -59.8 128.8 37.5 70.5 26.7 5 5 A G T 3 S+ 0 0 25 43,-1.5 2,-0.4 1,-0.3 -1,-0.2 0.234 81.7 126.3 104.5 -13.4 41.3 69.8 26.8 6 6 A K < - 0 0 103 -3,-1.3 42,-1.2 42,-0.1 -1,-0.3 -0.673 65.4-111.7 -83.7 131.1 41.5 66.5 28.7 7 7 A M E -AB 47 149A 5 142,-0.6 142,-2.1 -2,-0.4 2,-0.4 -0.366 36.9-170.9 -68.3 134.0 43.5 63.9 26.7 8 8 A V E -AB 46 148A 0 38,-3.7 38,-3.4 140,-0.2 2,-1.1 -0.980 25.6-143.2-128.7 136.5 41.5 60.9 25.4 9 9 A K E +AB 45 147A 46 138,-3.0 137,-1.7 -2,-0.4 138,-0.8 -0.755 38.0 177.9 -93.6 86.2 42.6 57.6 23.8 10 10 A I E -AB 44 145A 1 34,-1.4 34,-1.0 -2,-1.1 2,-0.3 -0.423 18.7-153.4 -86.3 164.6 39.8 57.3 21.3 11 11 A S E - B 0 144A 27 133,-1.5 133,-2.1 32,-0.2 2,-0.3 -0.968 13.9-156.7-143.4 124.7 39.4 54.5 18.7 12 12 A Y E - B 0 143A 32 -2,-0.3 12,-0.9 131,-0.2 2,-0.5 -0.808 19.7-167.5-116.3 141.3 37.5 55.0 15.4 13 13 A D E -CB 23 142A 22 129,-2.3 129,-3.1 -2,-0.3 2,-0.6 -0.996 22.2-163.6-114.2 123.3 35.7 52.9 12.7 14 14 A G E +CB 22 141A 0 8,-2.6 7,-3.6 -2,-0.5 8,-1.2 -0.916 10.2 179.3-120.4 112.6 35.0 54.9 9.6 15 15 A Y E +CB 20 140A 37 125,-3.7 125,-1.9 -2,-0.6 2,-0.3 -0.857 5.1 178.9-108.1 143.5 32.5 53.9 6.9 16 16 A V E > S-CB 19 139A 15 3,-3.0 3,-0.9 -2,-0.4 123,-0.1 -0.962 78.9 -7.0-141.8 126.5 31.7 55.8 3.7 17 17 A D T 3 S- 0 0 123 121,-0.6 2,-1.3 -2,-0.3 3,-0.1 0.912 127.4 -63.2 51.4 45.7 29.2 54.4 1.2 18 18 A G T 3 S+ 0 0 58 1,-0.2 -1,-0.3 -3,-0.0 2,-0.2 -0.098 117.5 109.0 77.0 -39.9 29.1 51.3 3.3 19 19 A K E < S-C 16 0A 124 -2,-1.3 -3,-3.0 -3,-0.9 2,-0.3 -0.510 74.7-120.3 -72.1 133.8 32.8 50.5 2.6 20 20 A L E +C 15 0A 8 -5,-0.3 -5,-0.3 -2,-0.2 3,-0.1 -0.571 38.1 166.9 -74.4 135.0 35.1 51.0 5.5 21 21 A F E + 0 0 34 -7,-3.6 2,-0.3 1,-0.3 -6,-0.2 0.678 57.2 28.7-123.0 -30.9 37.8 53.7 4.9 22 22 A D E +C 14 0A 49 -8,-1.2 -8,-2.6 12,-0.0 -1,-0.3 -0.998 66.1 139.4-138.8 137.9 39.6 54.7 8.1 23 23 A T E -C 13 0A 13 -2,-0.3 -10,-0.2 -10,-0.2 3,-0.0 -0.976 48.7-128.9-164.1 177.7 40.2 52.7 11.4 24 24 A T S S+ 0 0 7 -12,-0.9 18,-1.9 -2,-0.3 2,-0.8 0.295 77.1 99.4-117.4 5.0 42.6 51.8 14.3 25 25 A N > - 0 0 75 -13,-0.3 4,-1.3 1,-0.2 3,-0.4 -0.830 47.9-172.5-101.2 102.2 42.3 48.0 14.1 26 26 A E H > S+ 0 0 94 -2,-0.8 4,-1.3 1,-0.2 -1,-0.2 0.838 88.9 54.0 -61.6 -36.0 45.3 46.5 12.2 27 27 A E H > S+ 0 0 126 1,-0.2 4,-1.2 2,-0.2 -1,-0.2 0.828 111.0 46.4 -67.4 -32.5 43.7 43.0 12.2 28 28 A L H 4 S+ 0 0 43 -3,-0.4 -2,-0.2 2,-0.2 -1,-0.2 0.682 101.8 68.1 -80.0 -20.8 40.6 44.6 10.6 29 29 A A H >X>S+ 0 0 3 -4,-1.3 5,-2.0 2,-0.2 4,-0.9 0.902 104.7 40.3 -65.0 -44.2 42.8 46.4 8.1 30 30 A K H ><5S+ 0 0 126 -4,-1.3 3,-0.7 1,-0.2 -1,-0.2 0.920 111.0 58.9 -66.1 -44.6 43.8 43.2 6.4 31 31 A K T 3<5S+ 0 0 145 -4,-1.2 -1,-0.2 1,-0.3 -2,-0.2 0.380 113.2 38.7 -72.2 3.9 40.2 41.9 6.7 32 32 A E T <45S- 0 0 102 -3,-0.7 -1,-0.3 2,-0.2 -2,-0.2 0.483 110.6-115.0-126.5 -14.8 39.0 44.9 4.6 33 33 A G T <<5S+ 0 0 70 -4,-0.9 2,-0.3 -3,-0.7 -3,-0.2 0.853 78.3 104.6 81.0 37.4 41.8 45.3 2.1 34 34 A I < + 0 0 91 -5,-2.0 2,-0.3 -6,-0.1 -1,-0.2 -0.958 34.9 158.2-147.6 132.3 43.2 48.7 3.0 35 35 A Y - 0 0 104 -2,-0.3 -9,-0.0 -3,-0.1 -5,-0.0 -0.966 30.2-143.2-154.8 131.2 46.4 49.4 4.9 36 36 A N - 0 0 83 -2,-0.3 -2,-0.0 1,-0.1 -7,-0.0 -0.896 10.0-150.8 -97.6 117.9 48.8 52.4 5.2 37 37 A P S S+ 0 0 122 0, 0.0 -1,-0.1 0, 0.0 3,-0.0 0.235 98.3 38.0 -69.8 17.7 52.5 51.3 5.4 38 38 A A S S+ 0 0 75 2,-0.0 -2,-0.0 0, 0.0 0, 0.0 0.583 89.4 97.8-132.1 -41.9 53.0 54.4 7.5 39 39 A M - 0 0 52 1,-0.1 2,-0.4 0, 0.0 -3,-0.1 -0.183 65.5-133.7 -57.2 143.8 50.0 55.0 9.8 40 40 A I - 0 0 121 2,-0.0 2,-0.1 -3,-0.0 -1,-0.1 -0.891 23.2-149.2-103.2 131.6 50.2 53.8 13.4 41 41 A Y + 0 0 44 -2,-0.4 -16,-0.2 2,-0.0 -17,-0.1 -0.426 48.0 64.7-103.9 173.0 47.3 51.8 14.8 42 42 A G S S- 0 0 27 -18,-1.9 2,-0.2 -2,-0.1 -32,-0.1 -0.358 101.2 -15.2 97.5 172.7 45.6 51.3 18.2 43 43 A P S S- 0 0 51 0, 0.0 2,-0.5 0, 0.0 -32,-0.2 -0.234 70.8-137.7 -52.3 108.7 43.9 53.9 20.3 44 44 A V E -A 10 0A 44 -34,-1.0 -34,-1.4 -2,-0.2 2,-0.5 -0.588 15.3-131.8 -72.7 117.3 44.9 57.3 18.8 45 45 A A E +A 9 0A 17 -2,-0.5 2,-0.3 -36,-0.2 -36,-0.3 -0.603 40.4 162.6 -73.2 117.6 45.6 59.7 21.6 46 46 A I E -A 8 0A 6 -38,-3.4 -38,-3.7 -2,-0.5 2,-0.3 -0.894 37.3-104.4-133.3 164.9 43.8 63.0 21.0 47 47 A F E > -A 7 0A 7 -2,-0.3 3,-1.3 -40,-0.2 2,-0.5 -0.730 47.7 -89.1 -97.4 143.6 42.7 66.1 23.0 48 48 A A T 3 S- 0 0 0 -42,-1.2 -43,-1.5 -2,-0.3 -42,-0.1 -0.248 92.1 -40.1 -59.8 99.3 39.1 66.7 24.1 49 49 A G T 3 S+ 0 0 23 -2,-0.5 -1,-0.3 -45,-0.2 -45,-0.1 0.765 91.5 136.9 56.4 33.4 37.4 68.6 21.3 50 50 A E S < S- 0 0 70 -3,-1.3 -1,-0.1 8,-0.0 -2,-0.1 0.226 85.4 -94.3 -91.9 14.3 40.4 70.8 20.5 51 51 A G S S+ 0 0 54 -4,-0.2 -3,-0.1 3,-0.1 7,-0.0 0.778 89.1 131.0 77.7 28.5 39.8 70.4 16.8 52 52 A Q S S+ 0 0 58 -5,-0.4 2,-0.1 2,-0.1 -4,-0.1 0.949 71.5 23.7 -74.1 -53.1 42.2 67.5 16.6 53 53 A V S S- 0 0 36 -6,-0.2 5,-0.1 1,-0.2 -7,-0.0 -0.332 116.9 -44.7-101.4-174.2 39.9 65.1 14.7 54 54 A L >> - 0 0 39 1,-0.1 4,-2.5 -2,-0.1 3,-0.7 -0.277 56.5-120.0 -55.3 133.7 36.9 65.7 12.4 55 55 A P H 3> S+ 0 0 80 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.742 111.4 56.8 -49.5 -31.1 34.5 68.4 13.9 56 56 A G H 3> S+ 0 0 1 22,-1.2 4,-1.3 2,-0.2 23,-0.1 0.924 111.7 38.6 -68.2 -48.9 31.7 65.8 14.0 57 57 A L H <> S+ 0 0 5 -3,-0.7 4,-2.8 2,-0.2 5,-0.2 0.822 112.0 63.3 -68.3 -31.5 33.5 63.3 16.1 58 58 A D H X S+ 0 0 15 -4,-2.5 4,-1.3 1,-0.2 -2,-0.2 0.956 107.5 38.8 -57.1 -55.0 34.9 66.2 18.0 59 59 A E H X S+ 0 0 90 -4,-2.2 4,-1.7 1,-0.2 -1,-0.2 0.794 115.8 55.4 -66.8 -27.5 31.5 67.3 19.3 60 60 A A H X S+ 0 0 7 -4,-1.3 4,-2.4 2,-0.2 -2,-0.2 0.848 101.8 54.4 -74.0 -38.4 30.6 63.7 19.7 61 61 A I H < S+ 0 0 0 -4,-2.8 -1,-0.2 2,-0.2 -2,-0.2 0.858 107.5 53.2 -61.7 -36.8 33.5 62.9 22.0 62 62 A L H < S+ 0 0 55 -4,-1.3 -2,-0.2 -5,-0.2 -1,-0.2 0.945 110.2 45.7 -60.4 -51.2 32.3 65.8 24.2 63 63 A E H < S+ 0 0 110 -4,-1.7 -2,-0.2 2,-0.0 -1,-0.2 0.899 107.5 76.5 -57.8 -42.0 28.8 64.3 24.4 64 64 A M S < S- 0 0 2 -4,-2.4 2,-0.3 -63,-0.1 5,-0.0 -0.007 70.0-141.3 -69.3 168.2 30.3 60.9 25.2 65 65 A D > - 0 0 73 -64,-0.1 3,-2.2 80,-0.0 80,-0.3 -0.894 41.0 -68.4-128.0 163.9 31.9 59.5 28.4 66 66 A V T 3 S+ 0 0 90 -2,-0.3 80,-0.1 1,-0.3 3,-0.1 -0.252 122.7 11.7 -54.9 122.4 34.9 57.3 29.1 67 67 A G T 3 S+ 0 0 37 78,-1.7 -1,-0.3 1,-0.3 2,-0.1 -0.028 98.0 125.6 99.8 -28.3 34.1 53.7 27.9 68 68 A E < - 0 0 115 -3,-2.2 77,-1.5 76,-0.1 -1,-0.3 -0.356 38.1-168.7 -73.9 143.3 31.0 54.8 25.9 69 69 A E E +D 144 0A 107 75,-0.2 2,-0.3 -3,-0.1 75,-0.2 -0.903 7.3 173.3-129.3 155.4 30.6 53.9 22.1 70 70 A R E -D 143 0A 96 73,-1.3 73,-1.2 -2,-0.3 2,-1.1 -0.995 41.4-113.2-158.8 162.2 28.2 55.0 19.3 71 71 A E E -D 142 0A 93 -2,-0.3 2,-0.3 71,-0.2 71,-0.2 -0.690 45.6-170.0 -95.3 75.5 27.2 54.9 15.7 72 72 A V E -D 141 0A 19 -2,-1.1 69,-3.0 69,-1.0 2,-0.5 -0.546 9.9-151.4 -74.2 130.8 27.8 58.6 15.0 73 73 A V E -D 140 0A 88 -2,-0.3 67,-0.2 67,-0.2 -2,-0.0 -0.906 10.3-159.2-106.9 122.6 26.5 59.9 11.6 74 74 A L E -D 139 0A 6 65,-2.3 65,-1.3 -2,-0.5 5,-0.1 -0.896 8.6-141.9-112.0 118.8 28.4 62.9 10.2 75 75 A P > - 0 0 42 0, 0.0 3,-1.8 0, 0.0 4,-0.3 -0.444 30.8-112.7 -67.7 148.1 27.0 65.3 7.5 76 76 A P G > >S+ 0 0 29 0, 0.0 5,-2.2 0, 0.0 3,-0.6 0.745 118.1 61.9 -54.4 -26.6 29.5 66.5 4.9 77 77 A E G 3 5S+ 0 0 136 1,-0.2 5,-0.2 4,-0.2 61,-0.0 0.826 116.2 29.3 -65.5 -35.0 29.2 70.0 6.4 78 78 A K G < 5S+ 0 0 90 -3,-1.8 -22,-1.2 3,-0.1 -1,-0.2 0.116 125.3 47.4-114.4 17.5 30.6 68.7 9.7 79 79 A A T < 5S- 0 0 7 -3,-0.6 -2,-0.1 -4,-0.3 -23,-0.1 0.697 128.1 -22.3-120.7 -75.3 32.8 65.9 8.4 80 80 A F T 5S- 0 0 58 -4,-0.5 52,-0.2 57,-0.3 55,-0.2 0.574 103.7 -80.3-120.6 -23.8 35.2 66.6 5.4 81 81 A G < - 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0 0 50 -5,-1.2 -2,-0.2 2,-0.0 -1,-0.2 -0.993 57.4-141.5-139.2 130.8 53.6 67.0 -16.3 102 102 A K - 0 0 163 -2,-0.4 2,-0.3 -3,-0.1 -5,-0.0 -0.770 42.7-107.1 -83.4 126.5 51.5 66.2 -19.4 103 103 A P - 0 0 5 0, 0.0 2,-0.5 0, 0.0 18,-0.1 -0.411 45.6-178.9 -63.1 118.0 47.9 66.8 -18.5 104 104 A I > - 0 0 88 -2,-0.3 3,-0.5 3,-0.1 14,-0.3 -0.985 31.3-116.3-124.9 123.6 46.2 63.5 -18.1 105 105 A K T 3 S+ 0 0 145 -2,-0.5 2,-0.4 1,-0.2 14,-0.2 -0.341 103.7 15.5 -53.1 125.8 42.5 62.9 -17.3 106 106 A G T 3 S+ 0 0 36 12,-2.2 -1,-0.2 1,-0.4 12,-0.1 -0.349 97.4 112.9 102.3 -51.1 42.3 61.2 -13.9 107 107 A L < - 0 0 77 -3,-0.5 11,-1.7 -2,-0.4 -1,-0.4 -0.246 63.9-135.3 -51.1 138.5 45.9 61.9 -12.9 108 108 A T E -F 117 0B 86 9,-0.2 2,-0.3 -3,-0.1 9,-0.3 -0.792 20.7-167.6-104.2 146.3 46.0 64.3 -10.0 109 109 A I E -F 116 0B 9 7,-2.7 7,-2.2 -2,-0.3 2,-0.5 -0.900 14.4-130.8-130.4 160.7 48.3 67.3 -9.7 110 110 A T E -F 115 0B 72 -2,-0.3 2,-0.4 5,-0.3 3,-0.1 -0.944 17.5-179.4-114.7 130.8 49.4 69.8 -7.0 111 111 A I E > S-F 114 0B 21 3,-2.4 3,-0.7 -2,-0.5 -2,-0.0 -0.968 73.3 -17.8-126.1 117.1 49.4 73.6 -7.2 112 112 A D T 3 S- 0 0 122 -2,-0.4 2,-2.4 1,-0.3 -1,-0.1 0.966 123.7 -50.6 57.2 65.7 50.6 75.6 -4.2 113 113 A G T 3 S+ 0 0 71 1,-0.1 -1,-0.3 -3,-0.1 0, 0.0 -0.246 120.7 101.7 75.6 -49.9 50.3 73.0 -1.5 114 114 A I E < -F 111 0B 97 -2,-2.4 -3,-2.4 -3,-0.7 -1,-0.1 -0.529 62.8-153.6 -72.3 112.5 46.8 72.2 -2.5 115 115 A P E +F 110 0B 81 0, 0.0 2,-0.3 0, 0.0 -5,-0.3 -0.340 20.4 172.6 -77.0 169.2 46.6 69.0 -4.5 116 116 A G E -F 109 0B 10 -7,-2.2 -7,-2.7 14,-0.1 2,-0.5 -0.986 28.3 -98.9-172.5 170.2 43.8 68.5 -7.1 117 117 A K E -FG 108 129B 108 12,-3.1 12,-2.8 -2,-0.3 2,-0.5 -0.874 22.0-131.5-115.0 126.4 42.3 66.3 -9.8 118 118 A I E + G 0 128B 1 -11,-1.7 -12,-2.2 -2,-0.5 10,-0.2 -0.603 28.5 176.9 -67.8 117.7 42.5 66.7 -13.6 119 119 A V E - 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