==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 04-NOV-11 3UI4 . 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) . 5498.0 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 0 100 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0 178.3 -3.5 20.5 -15.4 2 -3 A P G > + 0 0 114 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.818 360.0 63.9 -54.3 -35.3 -6.8 18.7 -14.9 3 -2 A M G > S+ 0 0 113 1,-0.3 3,-1.6 2,-0.2 54,-0.3 0.790 88.5 70.6 -64.1 -22.3 -5.2 15.5 -13.7 4 -1 A G G < S+ 0 0 44 -3,-1.8 -1,-0.3 1,-0.3 53,-0.1 0.671 93.9 57.5 -65.4 -16.7 -3.9 17.3 -10.7 5 0 A S G < S+ 0 0 55 -3,-1.8 -1,-0.3 -4,-0.3 -2,-0.2 0.552 80.2 109.2 -88.7 -10.1 -7.4 17.4 -9.4 6 36 A N < + 0 0 34 -3,-1.6 51,-2.8 -4,-0.3 2,-0.3 -0.406 48.0 171.8 -62.4 148.5 -7.9 13.7 -9.5 7 37 A A E -A 56 0A 4 49,-0.3 94,-2.7 -2,-0.1 2,-0.4 -0.996 24.2-153.8-158.3 157.7 -8.1 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 20.4-134.7-131.4 144.5 -8.8 9.0 -4.1 9 39 A K E -AB 54 99A 46 90,-2.4 89,-2.8 -2,-0.4 90,-1.0 -0.904 45.0-168.6 -94.4 113.1 -10.0 8.4 -0.6 10 40 A V E -AB 53 97A 0 43,-2.2 42,-2.7 -2,-0.7 43,-0.8 -0.872 25.1-170.3-118.8 146.4 -7.5 5.7 0.4 11 41 A R E +AB 51 96A 23 85,-2.5 85,-2.5 -2,-0.3 2,-0.3 -0.989 19.9 176.1-132.1 136.5 -7.1 3.2 3.1 12 42 A H E - B 0 95A 6 38,-2.4 2,-0.4 -2,-0.4 83,-0.2 -0.948 33.5-142.3-141.3 162.1 -3.9 1.1 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 29.1-167.0-114.9 121.7 -2.1 -1.4 5.7 14 44 A L E + B 0 93A 17 -2,-0.4 29,-2.8 30,-0.3 2,-0.4 -0.961 13.9 166.7-114.9 126.7 1.7 -0.6 5.7 15 45 A C E - B 0 92A 0 77,-2.6 77,-3.0 -2,-0.5 6,-0.1 -0.994 29.4-149.9-134.6 132.6 4.3 -3.0 7.0 16 46 A E S S+ 0 0 140 -2,-0.4 2,-0.4 75,-0.3 -1,-0.1 0.875 83.3 67.3 -65.8 -34.3 8.1 -2.7 6.4 17 47 A K S > S- 0 0 108 1,-0.1 4,-2.2 75,-0.1 3,-0.3 -0.729 73.9-144.2 -94.8 136.1 8.6 -6.4 6.4 18 48 A H H > S+ 0 0 99 -2,-0.4 4,-2.1 1,-0.2 5,-0.2 0.877 100.0 58.1 -60.8 -39.5 7.2 -8.7 3.7 19 49 A G H > S+ 0 0 47 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.913 108.4 46.6 -60.8 -38.5 6.5 -11.5 6.1 20 50 A K H > S+ 0 0 65 -3,-0.3 4,-2.2 2,-0.2 -2,-0.2 0.908 108.5 53.1 -72.1 -40.8 4.2 -9.2 8.1 21 51 A I H X S+ 0 0 0 -4,-2.2 4,-2.4 1,-0.2 -1,-0.2 0.870 108.3 52.9 -63.4 -31.4 2.3 -7.8 5.2 22 52 A M H X S+ 0 0 53 -4,-2.1 4,-2.2 2,-0.2 -1,-0.2 0.863 104.5 53.9 -74.1 -29.1 1.6 -11.3 4.1 23 53 A E H X S+ 0 0 101 -4,-1.5 4,-1.8 2,-0.2 -2,-0.2 0.917 110.3 48.6 -60.9 -42.1 0.2 -12.1 7.5 24 54 A A H X S+ 0 0 0 -4,-2.2 4,-2.3 1,-0.2 -2,-0.2 0.918 109.1 52.4 -62.9 -43.1 -2.1 -9.1 7.0 25 55 A M H X S+ 0 0 1 -4,-2.4 4,-2.5 1,-0.2 -1,-0.2 0.901 106.2 53.8 -59.2 -41.4 -3.0 -10.4 3.5 26 56 A E H X S+ 0 0 138 -4,-2.2 4,-1.0 1,-0.2 -1,-0.2 0.902 106.7 52.0 -61.7 -39.3 -3.9 -13.8 5.0 27 57 A K H ><>S+ 0 0 65 -4,-1.8 5,-2.2 2,-0.2 3,-0.7 0.940 109.5 49.1 -62.8 -44.0 -6.3 -12.0 7.4 28 58 A L H ><5S+ 0 0 13 -4,-2.3 3,-1.6 1,-0.2 -2,-0.2 0.921 109.5 52.5 -56.0 -44.8 -8.0 -10.1 4.6 29 59 A K H 3<5S+ 0 0 126 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.677 103.6 57.8 -73.0 -12.6 -8.4 -13.4 2.7 30 60 A S T <<5S- 0 0 90 -4,-1.0 -1,-0.3 -3,-0.7 -2,-0.2 0.515 127.5 -97.8 -85.4 -8.9 -10.0 -15.0 5.7 31 61 A G T < 5 + 0 0 63 -3,-1.6 -3,-0.2 -4,-0.4 2,-0.2 0.430 68.9 153.5 108.3 3.1 -12.7 -12.3 5.7 32 62 A M < - 0 0 49 -5,-2.2 -1,-0.3 1,-0.1 5,-0.1 -0.457 52.2-105.9 -70.3 135.9 -11.4 -9.8 8.3 33 63 A R >> - 0 0 101 -2,-0.2 4,-2.0 1,-0.1 3,-0.9 -0.286 27.5-118.9 -61.5 144.7 -12.6 -6.3 7.6 34 64 A F H 3> S+ 0 0 3 42,-0.3 4,-2.6 1,-0.3 5,-0.2 0.846 111.3 53.2 -58.0 -42.3 -9.9 -4.0 6.3 35 65 A N H 3> S+ 0 0 45 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.847 109.2 50.1 -62.9 -34.3 -9.9 -1.5 9.2 36 66 A E H <> S+ 0 0 101 -3,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.849 110.1 49.9 -72.3 -36.1 -9.5 -4.4 11.7 37 67 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.5 0.920 111.1 50.1 -64.4 -44.1 -6.5 -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 0.910 108.3 52.2 -62.2 -41.7 -5.0 -2.3 9.7 39 69 A A H < S+ 0 0 63 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.914 114.9 43.4 -57.9 -42.3 -5.5 -2.0 13.4 40 70 A Q H < S+ 0 0 102 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.867 134.6 8.3 -69.4 -41.8 -3.7 -5.3 13.9 41 71 A Y H < S+ 0 0 15 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.2 0.657 89.1 111.5-119.2 -27.1 -0.8 -4.8 11.4 42 72 A S < - 0 0 11 -4,-2.0 -27,-0.2 -5,-0.5 4,-0.1 -0.374 42.2-162.6 -68.3 143.0 -0.5 -1.4 10.0 43 73 A E S S+ 0 0 84 -29,-2.8 2,-0.3 1,-0.1 -1,-0.1 0.279 80.8 50.5 -96.9 6.5 2.5 0.8 10.9 44 74 A D S S- 0 0 62 -30,-0.2 -30,-0.3 -6,-0.1 -32,-0.1 -0.991 121.0 -1.6-147.5 135.5 0.7 3.9 9.6 45 75 A K S > >S+ 0 0 81 -2,-0.3 5,-3.0 1,-0.1 3,-1.4 0.698 78.0 145.4 59.3 25.1 -2.8 5.2 10.4 46 76 A A G > 5 + 0 0 34 1,-0.3 3,-1.9 3,-0.2 5,-0.1 0.901 69.0 52.4 -60.7 -39.9 -3.5 2.1 12.6 47 77 A R G 3 5S+ 0 0 226 1,-0.3 -1,-0.3 2,-0.1 -8,-0.1 0.643 110.5 50.0 -73.9 -10.5 -5.6 4.1 15.0 48 78 A Q G X 5S- 0 0 89 -3,-1.4 3,-1.8 -10,-0.1 -1,-0.3 0.069 121.5-106.1-105.4 17.1 -7.7 5.3 12.0 49 79 A G T < 5S- 0 0 9 -3,-1.9 -11,-0.2 1,-0.3 -3,-0.2 0.798 75.7 -57.3 65.2 26.2 -8.1 1.8 10.6 50 80 A G T 3 -A 7 0A 74 -2,-0.4 3,-2.4 -49,-0.2 4,-0.3 -0.485 37.8 -83.2 -84.4 157.3 -4.8 14.2 -4.6 57 87 A R T 3 S+ 0 0 69 -51,-2.8 -1,-0.1 -54,-0.3 -51,-0.0 -0.337 119.3 30.6 -59.8 132.7 -2.7 13.1 -7.6 58 88 A G T 3 S+ 0 0 64 2,-0.2 -1,-0.3 -3,-0.1 4,-0.1 0.056 100.6 84.7 103.0 -18.2 0.9 14.0 -7.0 59 89 A S S < S+ 0 0 57 -3,-2.4 2,-0.3 2,-0.1 -2,-0.1 0.577 76.2 75.0 -91.9 -12.4 0.7 13.7 -3.3 60 90 A M S S- 0 0 17 -4,-0.3 -2,-0.2 1,-0.1 5,-0.1 -0.791 91.9 -98.1-105.2 146.7 1.3 9.9 -3.1 61 91 A V >> - 0 0 38 -2,-0.3 4,-2.6 1,-0.1 3,-0.6 -0.295 49.1-103.1 -61.6 146.6 4.5 8.0 -3.5 62 92 A G H 3> S+ 0 0 34 1,-0.3 4,-2.3 2,-0.2 5,-0.2 0.813 113.9 41.0 -49.7 -56.2 4.8 6.7 -7.0 63 93 A P H 3> S+ 0 0 59 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.866 117.3 51.1 -66.6 -31.9 4.0 3.0 -6.8 64 94 A F H <> S+ 0 0 8 -3,-0.6 4,-2.7 2,-0.2 -2,-0.2 0.938 109.5 50.3 -63.2 -47.6 1.2 3.7 -4.3 65 95 A Q H X S+ 0 0 31 -4,-2.6 4,-2.4 1,-0.2 5,-0.2 0.915 110.6 48.0 -59.2 -47.3 -0.4 6.3 -6.6 66 96 A E H X S+ 0 0 153 -4,-2.3 4,-0.8 1,-0.2 -1,-0.2 0.913 114.9 46.4 -61.4 -42.5 -0.4 4.1 -9.6 67 97 A A H < S+ 0 0 20 -4,-1.8 4,-0.3 -5,-0.2 3,-0.2 0.894 112.1 50.7 -66.7 -40.4 -1.9 1.2 -7.7 68 98 A A H >< S+ 0 0 0 -4,-2.7 3,-1.7 1,-0.2 -2,-0.2 0.927 108.0 49.2 -69.1 -45.0 -4.5 3.4 -6.0 69 99 A F H 3< S+ 0 0 21 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.691 106.0 61.3 -69.3 -15.2 -5.9 5.1 -9.2 70 100 A A T 3< S+ 0 0 80 -4,-0.8 -1,-0.3 -3,-0.2 -2,-0.2 0.530 90.4 86.0 -81.3 -10.0 -6.1 1.5 -10.7 71 101 A L S < S- 0 0 16 -3,-1.7 2,-0.1 -4,-0.3 3,-0.1 -0.794 74.7-133.8 -95.6 134.0 -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 -0.461 41.0 -85.9 -71.9 157.1 -12.4 1.0 -8.2 73 103 A V + 0 0 79 -2,-0.1 2,-0.3 23,-0.1 25,-0.2 -0.371 59.4 167.9 -58.9 136.9 -14.2 2.4 -5.2 74 104 A S - 0 0 17 23,-2.7 2,-0.3 6,-0.1 22,-0.0 -0.884 27.8-126.4-141.9 172.2 -15.2 -0.4 -2.9 75 105 A G B > -E 78 0B 34 3,-0.7 3,-0.6 -2,-0.3 22,-0.1 -0.792 33.8-102.7-117.5 165.3 -16.6 -0.7 0.7 76 106 A M T 3 S+ 0 0 28 -2,-0.3 -42,-0.3 1,-0.2 -41,-0.0 0.626 119.7 51.7 -72.9 -9.0 -15.2 -2.7 3.6 77 107 A D T 3 S+ 0 0 144 1,-0.2 -1,-0.2 -44,-0.1 -44,-0.0 0.771 125.9 27.1 -83.4 -25.2 -17.9 -5.5 3.2 78 108 A K B < S-E 75 0B 170 -3,-0.6 -3,-0.7 2,-0.0 -1,-0.2 -0.591 93.1-179.2-128.8 64.1 -17.1 -5.9 -0.5 79 109 A P - 0 0 51 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 -0.332 22.0-163.9 -75.2 154.6 -13.5 -4.8 -0.6 80 110 A V + 0 0 65 -8,-0.2 17,-0.6 17,-0.2 2,-0.3 -0.977 28.5 166.7-130.2 111.9 -11.3 -4.5 -3.7 81 111 A F B -C 96 0A 45 -2,-0.4 2,-0.3 15,-0.1 15,-0.2 -0.835 41.8 -82.8-127.9 162.8 -7.7 -4.3 -2.6 82 112 A T - 0 0 13 13,-2.0 4,-0.1 -2,-0.3 13,-0.0 -0.477 43.2-154.4 -65.2 128.3 -4.2 -4.5 -4.1 83 113 A D S S+ 0 0 84 -2,-0.3 11,-0.1 1,-0.1 3,-0.0 -0.891 79.2 37.1-146.9 111.1 -2.9 -8.1 -4.4 84 114 A P S S- 0 0 98 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.407 108.3-105.0 -80.4 169.8 0.0 -8.5 -4.4 85 115 A P - 0 0 20 0, 0.0 2,-0.5 0, 0.0 9,-0.2 -0.271 33.8-117.8 -57.2 152.9 1.1 -5.9 -1.9 86 116 A V E -D 93 0A 22 7,-2.8 7,-2.7 -4,-0.1 2,-0.4 -0.832 21.1-142.1-101.1 124.5 2.8 -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 -0.709 29.2 159.1 -89.1 133.3 6.4 -1.9 -2.4 88 118 A T E > -D 91 0A 7 3,-2.7 3,-1.4 -2,-0.4 -27,-0.0 -0.807 61.2 -87.7-132.9 178.6 7.4 1.6 -1.9 89 119 A K T 3 S+ 0 0 179 1,-0.3 3,-0.1 -2,-0.3 -2,-0.0 0.602 128.1 58.4 -66.9 -10.1 10.3 3.2 -0.0 90 120 A F T 3 S- 0 0 111 1,-0.4 2,-0.3 -75,-0.0 -1,-0.3 0.659 119.1-101.1 -83.3 -22.9 8.0 3.1 3.1 91 121 A G E < - D 0 88A 4 -3,-1.4 -3,-2.7 -77,-0.0 2,-0.5 -0.965 63.7 -22.0 135.3-154.7 7.5 -0.7 2.9 92 122 A Y E -BD 15 87A 58 -77,-3.0 -77,-2.6 -2,-0.3 2,-0.4 -0.847 58.0-165.1-101.8 132.2 4.7 -2.9 1.6 93 123 A H E -BD 14 86A 2 -7,-2.7 -7,-2.8 -2,-0.5 2,-0.5 -0.919 18.4-161.6-117.5 141.2 1.2 -1.6 1.3 94 124 A I E -B 13 0A 0 -81,-2.2 -81,-2.2 -2,-0.4 2,-0.4 -0.989 30.7-168.5-109.5 129.1 -2.2 -3.2 0.8 95 125 A I E +B 12 0A 0 -2,-0.5 -13,-2.0 -83,-0.2 2,-0.3 -0.931 20.2 179.0-125.1 142.2 -4.5 -0.5 -0.5 96 126 A M E -BC 11 81A 0 -85,-2.5 -85,-2.5 -2,-0.4 2,-0.4 -0.942 20.7-137.2-132.9 161.3 -8.2 -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 -0.965 20.3 175.2-122.9 126.2 -10.1 3.0 -2.3 98 128 A E E S+ 0 0 48 -89,-2.8 2,-0.3 -2,-0.4 -88,-0.2 0.505 70.8 21.8-106.4 -9.1 -13.4 4.2 -0.8 99 129 A G E -B 9 0A 11 -90,-1.0 -90,-2.4 -27,-0.0 2,-0.3 -0.974 61.0-162.4-157.1 151.4 -13.9 7.4 -2.9 100 130 A R E B 8 0A 119 -2,-0.3 -92,-0.2 -92,-0.2 -94,-0.0 -0.998 360.0 360.0-146.1 139.1 -12.8 8.8 -6.2 101 131 A K 0 0 137 -94,-2.7 -93,-0.2 -2,-0.3 -1,-0.1 0.528 360.0 360.0-132.0 360.0 -12.7 12.3 -7.8