==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-NOV-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 04-NOV-11 3UI6 . COMPND 2 MOLECULE: PEPTIDYL-PROLYL CIS-TRANS ISOMERASE NIMA-INTERACT . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR J.W.MUELLER,N.M.LINK,A.MATENA,L.HOPPSTOCK,A.RUEPPEL,P.BAYER, . 101 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 5591.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 65 64.4 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 . 25 24.8 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 . 2 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 . 2 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 22 21.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 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 0 0 0 0 2 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 . 2 0 1 0 1 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 ANTIPARALLEL BRIDGES PER LADDER . 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 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 -4 A G > 0 0 105 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0-156.5 -3.7 20.7 -15.2 2 -3 A P G > + 0 0 113 0, 0.0 3,-1.9 0, 0.0 4,-0.3 0.853 360.0 61.6 -56.2 -38.8 -6.9 18.7 -15.0 3 -2 A M G > S+ 0 0 112 1,-0.3 3,-1.6 2,-0.2 54,-0.3 0.794 89.1 70.4 -66.6 -19.8 -5.3 15.6 -13.7 4 -1 A G G < S+ 0 0 44 -3,-1.5 -1,-0.3 1,-0.3 53,-0.2 0.688 92.4 60.5 -68.7 -13.5 -4.1 17.4 -10.6 5 0 A S G < S+ 0 0 60 -3,-1.9 -1,-0.3 -4,-0.3 -2,-0.2 0.587 80.7 107.3 -86.9 -9.3 -7.8 17.5 -9.5 6 36 A N < + 0 0 33 -3,-1.6 51,-2.8 -4,-0.3 2,-0.3 -0.416 47.6 167.2 -69.1 147.9 -8.0 13.7 -9.5 7 37 A A E -A 56 0A 4 49,-0.3 94,-2.6 -2,-0.1 2,-0.4 -0.994 25.1-151.6-158.7 158.5 -8.2 12.2 -6.0 8 38 A V E -AB 55 100A 0 47,-2.3 47,-2.7 -2,-0.3 2,-0.7 -0.989 18.7-137.0-131.3 145.1 -8.9 9.0 -4.1 9 39 A K E -AB 54 99A 48 90,-2.4 89,-2.9 -2,-0.4 90,-1.1 -0.915 46.7-173.8 -92.9 111.1 -10.2 8.4 -0.5 10 40 A V E -AB 53 97A 0 43,-2.2 42,-2.7 -2,-0.7 43,-0.8 -0.878 27.1-167.8-127.3 149.3 -7.8 5.6 0.3 11 41 A R E +AB 51 96A 22 85,-2.6 85,-2.5 -2,-0.3 2,-0.3 -0.984 18.8 176.7-131.6 138.6 -7.2 3.1 3.1 12 42 A H E - B 0 95A 5 38,-2.4 2,-0.4 -2,-0.4 83,-0.2 -0.955 32.5-140.3-142.7 163.9 -4.0 1.0 3.6 13 43 A I E - B 0 94A 0 81,-2.2 81,-2.2 -2,-0.3 2,-0.5 -1.000 29.0-166.8-116.3 121.6 -2.1 -1.5 5.6 14 44 A L E + B 0 93A 18 -2,-0.4 29,-2.8 30,-0.3 2,-0.4 -0.957 12.6 169.4-114.0 127.2 1.6 -0.6 5.7 15 45 A C E - B 0 92A 0 77,-2.6 77,-2.9 -2,-0.5 6,-0.1 -0.994 29.5-148.1-134.2 132.6 4.2 -3.1 6.9 16 46 A E S S+ 0 0 133 -2,-0.4 2,-0.4 75,-0.3 -1,-0.1 0.875 84.5 62.7 -57.9 -44.1 8.0 -2.6 6.5 17 47 A K S > S- 0 0 144 1,-0.1 4,-2.1 74,-0.1 3,-0.2 -0.718 74.6-141.3 -98.0 140.6 8.5 -6.4 6.3 18 48 A H H > S+ 0 0 88 -2,-0.4 4,-2.0 1,-0.2 5,-0.2 0.872 100.6 58.0 -63.2 -38.7 7.2 -8.7 3.7 19 49 A G H > S+ 0 0 45 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.918 108.5 46.7 -61.0 -38.3 6.4 -11.5 6.0 20 50 A K H > S+ 0 0 69 2,-0.2 4,-2.1 1,-0.2 -2,-0.2 0.908 109.2 51.8 -72.1 -40.6 4.2 -9.3 8.1 21 51 A I H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -1,-0.2 0.871 108.3 54.4 -64.0 -31.1 2.3 -7.8 5.1 22 52 A M H X S+ 0 0 81 -4,-2.0 4,-2.2 2,-0.2 -1,-0.2 0.865 105.4 52.3 -67.4 -37.9 1.7 -11.4 4.0 23 53 A E H X S+ 0 0 103 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.917 110.1 49.1 -60.8 -43.3 0.2 -12.2 7.5 24 54 A A H X S+ 0 0 0 -4,-2.1 4,-2.3 1,-0.2 -2,-0.2 0.914 108.9 52.4 -61.8 -43.4 -2.1 -9.2 7.0 25 55 A M H X S+ 0 0 7 -4,-2.3 4,-2.5 1,-0.2 -1,-0.2 0.896 106.4 54.0 -60.2 -41.2 -3.1 -10.4 3.5 26 56 A E H X S+ 0 0 139 -4,-2.2 4,-1.2 2,-0.2 -1,-0.2 0.904 106.8 51.6 -61.5 -39.7 -4.0 -13.8 5.0 27 57 A K H ><>S+ 0 0 79 -4,-1.8 5,-2.2 1,-0.2 3,-0.6 0.935 109.6 49.2 -63.4 -42.7 -6.3 -12.1 7.4 28 58 A L H ><5S+ 0 0 12 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.922 109.7 52.1 -58.2 -44.6 -8.1 -10.2 4.6 29 59 A K H 3<5S+ 0 0 128 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.694 104.1 57.8 -72.0 -14.5 -8.4 -13.4 2.6 30 60 A S T <<5S- 0 0 86 -4,-1.2 -1,-0.3 -3,-0.6 -2,-0.2 0.519 127.9 -97.7 -83.7 -9.0 -10.0 -15.1 5.7 31 61 A G T < 5 + 0 0 60 -3,-1.6 -3,-0.2 -4,-0.5 2,-0.2 0.432 69.0 153.3 108.6 3.2 -12.7 -12.4 5.7 32 62 A M < - 0 0 52 -5,-2.2 -1,-0.3 1,-0.1 5,-0.1 -0.457 52.4-105.8 -69.3 137.2 -11.4 -9.9 8.3 33 63 A R >> - 0 0 105 -2,-0.2 4,-2.0 1,-0.1 3,-0.8 -0.275 27.3-118.9 -63.2 145.3 -12.6 -6.4 7.7 34 64 A F H 3> S+ 0 0 1 42,-0.3 4,-2.6 1,-0.3 5,-0.2 0.857 111.3 52.6 -58.3 -42.5 -10.0 -4.1 6.3 35 65 A N H 3> S+ 0 0 55 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.855 109.4 50.2 -63.3 -34.0 -10.0 -1.6 9.2 36 66 A E H <> S+ 0 0 111 -3,-0.8 4,-1.8 2,-0.2 -1,-0.2 0.851 110.2 49.9 -72.7 -36.0 -9.5 -4.4 11.7 37 67 A V H X S+ 0 0 0 -4,-2.0 4,-2.6 2,-0.2 5,-0.5 0.922 111.2 50.0 -64.5 -44.6 -6.6 -5.8 9.7 38 68 A A H X S+ 0 0 0 -4,-2.6 4,-2.0 11,-0.2 -2,-0.2 0.913 108.3 52.1 -61.5 -42.3 -5.1 -2.3 9.6 39 69 A A H < S+ 0 0 62 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.915 115.2 42.8 -58.3 -41.1 -5.5 -2.0 13.4 40 70 A Q H < S+ 0 0 105 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.877 134.6 9.5 -71.2 -40.6 -3.7 -5.3 13.9 41 71 A Y H < S+ 0 0 17 -4,-2.6 -3,-0.2 -5,-0.1 -2,-0.2 0.655 89.4 110.6-119.3 -27.9 -0.9 -4.8 11.4 42 72 A S < - 0 0 10 -4,-2.0 -27,-0.2 -5,-0.5 4,-0.1 -0.387 42.0-163.3 -68.9 143.2 -0.5 -1.4 9.9 43 73 A E S S+ 0 0 91 -29,-2.8 2,-0.3 -2,-0.1 -1,-0.1 0.285 80.6 52.4 -97.8 5.3 2.4 0.8 10.9 44 74 A D S S- 0 0 61 -30,-0.2 -30,-0.3 -6,-0.1 -32,-0.1 -0.993 120.9 -3.2-144.7 134.2 0.6 3.9 9.5 45 75 A K S > >S+ 0 0 79 -2,-0.3 5,-3.0 1,-0.1 3,-1.5 0.716 77.9 146.3 59.4 25.4 -2.9 5.2 10.3 46 76 A A G > 5 + 0 0 35 1,-0.3 3,-1.8 3,-0.2 5,-0.1 0.901 69.1 52.9 -60.8 -38.7 -3.5 2.1 12.6 47 77 A R G 3 5S+ 0 0 227 1,-0.3 -1,-0.3 2,-0.1 -8,-0.1 0.590 110.3 50.0 -74.4 -9.3 -5.7 4.2 15.0 48 78 A Q G X 5S- 0 0 91 -3,-1.5 3,-1.8 -10,-0.1 -1,-0.3 0.041 121.6-105.5-107.5 17.6 -7.7 5.3 12.0 49 79 A G T < 5S- 0 0 10 -3,-1.8 -11,-0.2 1,-0.3 -3,-0.2 0.802 76.1 -57.8 63.4 27.2 -8.2 1.8 10.6 50 80 A G T 3 -A 7 0A 76 -2,-0.4 3,-2.4 -49,-0.2 4,-0.3 -0.474 37.8 -82.6 -83.8 156.7 -4.9 14.2 -4.6 57 87 A R T 3 S+ 0 0 72 -51,-2.8 -1,-0.1 -54,-0.3 -50,-0.0 -0.347 119.4 29.7 -57.8 132.1 -2.9 13.2 -7.5 58 88 A G T 3 S+ 0 0 62 2,-0.2 -1,-0.3 -3,-0.1 4,-0.1 0.074 100.2 85.9 103.1 -19.2 0.8 14.1 -6.9 59 89 A S S < S+ 0 0 58 -3,-2.4 2,-0.3 2,-0.1 -2,-0.1 0.577 76.0 73.9 -90.5 -13.2 0.5 13.7 -3.1 60 90 A M S S- 0 0 17 -4,-0.3 -2,-0.2 1,-0.1 5,-0.1 -0.794 92.5 -97.8-104.7 146.9 1.1 9.9 -3.0 61 91 A V >> - 0 0 33 -2,-0.3 4,-2.6 1,-0.1 3,-0.6 -0.299 49.1-103.7 -59.7 146.1 4.4 8.1 -3.4 62 92 A G H 3> S+ 0 0 34 1,-0.3 4,-2.5 2,-0.2 5,-0.3 0.806 113.7 41.4 -50.6 -55.4 4.6 6.8 -7.0 63 93 A P H 3> S+ 0 0 60 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.867 117.3 50.8 -66.7 -31.8 3.9 3.1 -6.8 64 94 A F H <> S+ 0 0 6 -3,-0.6 4,-2.7 2,-0.2 -2,-0.2 0.939 109.7 50.0 -63.5 -48.4 1.1 3.7 -4.3 65 95 A Q H X S+ 0 0 30 -4,-2.6 4,-2.4 2,-0.2 5,-0.2 0.908 110.4 48.6 -59.5 -46.4 -0.5 6.3 -6.5 66 96 A E H X S+ 0 0 151 -4,-2.5 4,-0.8 1,-0.2 -1,-0.2 0.913 114.5 46.4 -62.0 -40.9 -0.5 4.1 -9.6 67 97 A A H < S+ 0 0 19 -4,-1.8 4,-0.3 -5,-0.3 3,-0.3 0.904 112.2 50.8 -67.1 -40.8 -2.0 1.2 -7.7 68 98 A A H >< S+ 0 0 0 -4,-2.7 3,-1.6 1,-0.2 -2,-0.2 0.926 108.2 48.8 -69.3 -43.3 -4.6 3.4 -6.0 69 99 A F H 3< S+ 0 0 22 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.694 106.6 60.7 -71.1 -14.3 -6.0 5.1 -9.2 70 100 A A T 3< S+ 0 0 81 -4,-0.8 -1,-0.3 -3,-0.3 -2,-0.2 0.541 90.7 86.1 -82.6 -10.5 -6.2 1.6 -10.7 71 101 A L S < S- 0 0 15 -3,-1.6 2,-0.1 -4,-0.3 3,-0.1 -0.775 74.9-133.0 -94.6 136.1 -8.6 0.4 -8.0 72 102 A P - 0 0 76 0, 0.0 25,-0.5 0, 0.0 8,-0.2 -0.476 40.5 -86.0 -73.9 157.9 -12.4 0.9 -8.3 73 103 A V + 0 0 79 -2,-0.1 2,-0.3 23,-0.1 25,-0.2 -0.384 59.1 167.6 -59.1 136.3 -14.3 2.3 -5.3 74 104 A S - 0 0 16 23,-2.7 2,-0.3 6,-0.1 22,-0.0 -0.876 27.5-126.8-141.2 173.8 -15.3 -0.4 -2.9 75 105 A G B > -E 78 0B 32 3,-0.8 3,-0.6 -2,-0.3 22,-0.1 -0.781 32.4-104.3-120.4 168.6 -16.6 -0.7 0.6 76 106 A M T 3 S+ 0 0 40 -2,-0.3 -42,-0.3 1,-0.3 -1,-0.0 0.749 119.7 52.0 -80.5 -6.6 -15.4 -2.7 3.5 77 107 A D T 3 S+ 0 0 119 1,-0.2 -1,-0.3 -44,-0.1 -44,-0.0 0.793 126.9 25.4 -85.5 -19.7 -18.1 -5.4 3.2 78 108 A K B < S-E 75 0B 169 -3,-0.6 -3,-0.8 2,-0.0 -1,-0.2 -0.611 93.5-179.7-132.7 62.8 -17.2 -5.9 -0.5 79 109 A P - 0 0 50 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 -0.355 21.4-162.9 -77.1 151.6 -13.5 -4.7 -0.6 80 110 A V + 0 0 65 -8,-0.2 17,-0.6 17,-0.2 2,-0.3 -0.979 27.4 168.0-126.8 113.2 -11.3 -4.6 -3.7 81 111 A F B -C 96 0A 47 -2,-0.4 2,-0.3 15,-0.1 15,-0.2 -0.841 40.5 -83.1-128.6 163.7 -7.7 -4.3 -2.7 82 112 A T - 0 0 14 13,-2.0 4,-0.1 -2,-0.3 13,-0.0 -0.477 42.3-154.1 -66.6 130.1 -4.3 -4.6 -4.2 83 113 A D S S+ 0 0 89 -2,-0.3 11,-0.1 2,-0.1 3,-0.0 -0.899 79.5 37.3-147.3 111.6 -3.0 -8.2 -4.4 84 114 A P S S- 0 0 99 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.411 107.7-105.4 -81.6 170.2 0.0 -8.6 -4.4 85 115 A P - 0 0 21 0, 0.0 2,-0.5 0, 0.0 9,-0.2 -0.275 33.3-118.8 -57.1 152.5 1.1 -5.9 -1.9 86 116 A V E -D 93 0A 22 7,-2.8 7,-2.6 -4,-0.1 2,-0.4 -0.841 20.7-141.8-101.3 124.5 2.7 -2.8 -3.4 87 117 A K E +D 92 0A 106 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.705 29.0 159.6 -88.9 134.2 6.3 -1.9 -2.4 88 118 A T E > -D 91 0A 7 3,-2.7 3,-1.3 -2,-0.4 -27,-0.0 -0.819 61.3 -86.8-131.7-178.4 7.3 1.7 -1.9 89 119 A K T 3 S+ 0 0 168 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 0.690 128.3 57.6 -69.0 -11.1 10.2 3.2 -0.0 90 120 A F T 3 S- 0 0 121 1,-0.3 2,-0.3 -75,-0.0 -1,-0.3 0.671 119.1-100.0 -82.9 -23.3 7.9 3.0 3.1 91 121 A G E < - D 0 88A 4 -3,-1.3 -3,-2.7 -77,-0.0 2,-0.5 -0.963 63.9 -22.1 136.2-154.7 7.4 -0.7 2.9 92 122 A Y E -BD 15 87A 58 -77,-2.9 -77,-2.6 -2,-0.3 2,-0.4 -0.829 58.1-164.8-101.5 132.9 4.7 -3.0 1.6 93 123 A H E -BD 14 86A 3 -7,-2.6 -7,-2.8 -2,-0.5 2,-0.5 -0.921 18.7-161.1-119.0 141.2 1.1 -1.7 1.3 94 124 A I E -B 13 0A 0 -81,-2.2 -81,-2.2 -2,-0.4 2,-0.4 -0.988 30.9-167.6-109.4 128.5 -2.2 -3.3 0.8 95 125 A I E +B 12 0A 0 -2,-0.5 -13,-2.0 -83,-0.2 2,-0.3 -0.928 20.3 178.1-124.9 141.6 -4.6 -0.6 -0.5 96 126 A M E -BC 11 81A 0 -85,-2.5 -85,-2.6 -2,-0.4 2,-0.4 -0.946 20.7-138.0-133.3 159.6 -8.3 -0.1 -1.0 97 127 A V E +B 10 0A 0 -17,-0.6 -23,-2.7 -25,-0.5 -87,-0.2 -0.970 19.3 176.3-122.2 128.3 -10.2 2.9 -2.3 98 128 A E E S+ 0 0 48 -89,-2.9 2,-0.3 -2,-0.4 -88,-0.2 0.517 70.9 20.5-108.4 -8.6 -13.5 4.1 -0.8 99 129 A G E -B 9 0A 11 -90,-1.1 -90,-2.4 -27,-0.0 2,-0.3 -0.981 61.2-163.5-159.2 152.3 -14.0 7.3 -2.9 100 130 A R E B 8 0A 117 -2,-0.3 -92,-0.2 -92,-0.2 -94,-0.0 -0.999 360.0 360.0-144.5 138.9 -12.9 8.7 -6.2 101 131 A K 0 0 145 -94,-2.6 -93,-0.2 -2,-0.3 -95,-0.1 0.525 360.0 360.0-129.3 360.0 -12.9 12.1 -7.9