==== 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 3UI5 . 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) . 5601.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 64 63.4 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 . 1 1.0 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 0 103 0, 0.0 3,-1.5 0, 0.0 4,-0.3 0.000 360.0 360.0 360.0-172.2 -3.6 20.7 -15.2 2 -3 A P G > + 0 0 115 0, 0.0 3,-1.8 0, 0.0 4,-0.3 0.792 360.0 64.5 -60.1 -35.8 -6.9 18.8 -14.9 3 -2 A M G > S+ 0 0 114 1,-0.3 3,-1.5 2,-0.2 54,-0.3 0.759 89.1 68.8 -59.6 -24.3 -5.3 15.6 -13.7 4 -1 A G G < S+ 0 0 42 -3,-1.5 -1,-0.3 1,-0.2 53,-0.2 0.682 91.9 61.2 -65.9 -19.1 -4.2 17.4 -10.6 5 0 A S G < S+ 0 0 68 -3,-1.8 -1,-0.2 -4,-0.3 -2,-0.2 0.588 82.2 107.2 -79.7 -9.9 -7.8 17.6 -9.6 6 36 A N < + 0 0 37 -3,-1.5 51,-2.8 -4,-0.3 2,-0.3 -0.383 47.7 167.2 -69.9 148.4 -8.0 13.7 -9.5 7 37 A A E -A 56 0A 4 49,-0.3 94,-2.5 -2,-0.1 2,-0.4 -0.996 25.3-152.1-157.7 158.1 -8.2 12.2 -6.0 8 38 A V E -AB 55 100A 0 47,-2.3 47,-2.9 -2,-0.3 2,-0.7 -0.991 19.3-136.2-130.7 145.2 -8.9 9.0 -4.1 9 39 A K E -AB 54 99A 47 90,-2.4 89,-2.9 -2,-0.4 90,-1.1 -0.904 46.2-170.7 -92.3 114.7 -10.2 8.4 -0.6 10 40 A V E -AB 53 97A 0 43,-2.1 42,-2.6 -2,-0.7 43,-0.8 -0.844 26.2-168.8-128.6 144.5 -7.7 5.6 0.3 11 41 A R E +AB 51 96A 22 85,-2.5 85,-2.5 -2,-0.3 2,-0.3 -0.981 18.7 176.5-129.7 135.3 -7.1 3.1 3.1 12 42 A H E - B 0 95A 5 38,-2.3 2,-0.5 -2,-0.4 83,-0.2 -0.967 33.2-142.4-140.9 162.8 -4.0 1.0 3.6 13 43 A I E - B 0 94A 0 81,-2.1 81,-2.1 -2,-0.3 2,-0.5 -0.999 29.2-166.2-116.2 120.4 -2.1 -1.5 5.7 14 44 A L E + B 0 93A 17 -2,-0.5 29,-2.7 30,-0.3 2,-0.4 -0.960 12.8 169.3-113.2 126.6 1.6 -0.6 5.7 15 45 A C E - B 0 92A 0 77,-2.5 77,-2.9 -2,-0.5 6,-0.1 -0.994 29.2-150.2-134.1 131.5 4.3 -3.1 6.9 16 46 A E S S+ 0 0 114 -2,-0.4 2,-0.4 75,-0.2 -1,-0.1 0.884 84.4 64.3 -55.4 -45.5 8.1 -2.7 6.5 17 47 A K S > S- 0 0 129 1,-0.1 4,-2.0 74,-0.1 3,-0.3 -0.716 74.2-143.2 -95.4 135.3 8.5 -6.4 6.4 18 48 A H H > S+ 0 0 91 -2,-0.4 4,-2.1 1,-0.2 5,-0.2 0.877 100.9 58.4 -62.1 -40.2 7.2 -8.7 3.6 19 49 A G H > S+ 0 0 46 1,-0.2 4,-1.5 2,-0.2 -1,-0.2 0.912 108.2 45.5 -58.6 -40.4 6.4 -11.5 6.1 20 50 A K H > S+ 0 0 69 -3,-0.3 4,-2.1 2,-0.2 -1,-0.2 0.896 109.5 53.0 -69.9 -42.9 4.2 -9.2 8.1 21 51 A I H X S+ 0 0 0 -4,-2.0 4,-2.3 1,-0.2 -1,-0.2 0.877 108.3 53.1 -61.1 -30.5 2.3 -7.8 5.1 22 52 A M H X S+ 0 0 75 -4,-2.1 4,-2.1 2,-0.2 -1,-0.2 0.852 105.2 53.5 -71.7 -35.7 1.7 -11.4 4.0 23 53 A E H X S+ 0 0 102 -4,-1.5 4,-1.9 2,-0.2 -1,-0.2 0.908 109.7 49.1 -58.5 -45.1 0.2 -12.1 7.5 24 54 A A H X S+ 0 0 0 -4,-2.1 4,-2.4 2,-0.2 -2,-0.2 0.924 108.4 52.9 -60.4 -45.4 -2.1 -9.2 7.0 25 55 A M H X S+ 0 0 6 -4,-2.3 4,-2.5 1,-0.2 -2,-0.2 0.902 106.2 53.9 -59.0 -38.8 -3.1 -10.4 3.5 26 56 A E H X S+ 0 0 142 -4,-2.1 4,-1.2 2,-0.2 -1,-0.2 0.925 107.2 51.3 -64.4 -39.0 -4.0 -13.8 5.0 27 57 A K H ><>S+ 0 0 68 -4,-1.9 5,-2.1 1,-0.2 3,-0.7 0.941 109.8 48.9 -63.5 -43.4 -6.3 -12.1 7.5 28 58 A L H ><5S+ 0 0 12 -4,-2.4 3,-1.5 1,-0.2 -1,-0.2 0.924 110.3 51.8 -58.3 -45.1 -8.0 -10.2 4.7 29 59 A K H 3<5S+ 0 0 129 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.662 104.2 57.8 -68.8 -17.4 -8.4 -13.4 2.7 30 60 A S T <<5S- 0 0 91 -4,-1.2 -1,-0.3 -3,-0.7 -2,-0.2 0.501 128.0 -97.8 -81.2 -11.2 -10.0 -15.0 5.7 31 61 A G T < 5 + 0 0 63 -3,-1.5 2,-0.2 -4,-0.4 -3,-0.2 0.477 68.5 153.3 108.7 1.8 -12.6 -12.4 5.7 32 62 A M < - 0 0 50 -5,-2.1 -1,-0.3 1,-0.1 5,-0.1 -0.485 52.5-104.8 -69.2 137.4 -11.4 -9.9 8.3 33 63 A R >> - 0 0 103 -2,-0.2 4,-2.0 1,-0.1 3,-0.9 -0.245 27.9-120.0 -59.6 142.0 -12.6 -6.3 7.7 34 64 A F H 3> S+ 0 0 2 42,-0.3 4,-2.6 1,-0.3 5,-0.2 0.873 111.7 52.6 -57.3 -41.6 -9.9 -4.0 6.3 35 65 A N H 3> S+ 0 0 46 1,-0.2 4,-2.2 2,-0.2 -1,-0.3 0.850 109.5 50.2 -65.2 -34.0 -10.0 -1.6 9.2 36 66 A E H <> S+ 0 0 102 -3,-0.9 4,-1.8 2,-0.2 -1,-0.2 0.839 110.1 49.9 -70.0 -39.8 -9.5 -4.5 11.7 37 67 A V H X S+ 0 0 0 -4,-2.0 4,-2.5 2,-0.2 5,-0.5 0.913 111.1 49.9 -62.6 -44.9 -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 0.911 108.1 52.7 -62.8 -40.2 -5.0 -2.3 9.6 39 69 A A H < S+ 0 0 63 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.907 115.0 42.6 -58.4 -41.6 -5.5 -2.0 13.4 40 70 A Q H < S+ 0 0 103 -4,-1.8 -2,-0.2 1,-0.1 -1,-0.2 0.865 134.7 9.1 -70.2 -39.7 -3.7 -5.3 13.9 41 71 A Y H < S+ 0 0 14 -4,-2.5 -3,-0.2 -5,-0.1 -2,-0.2 0.651 89.3 111.3-119.4 -27.6 -0.8 -4.9 11.4 42 72 A S < - 0 0 10 -4,-2.0 -27,-0.2 -5,-0.5 4,-0.1 -0.396 41.9-163.8 -68.7 141.2 -0.5 -1.4 9.9 43 73 A E S S+ 0 0 91 -29,-2.7 2,-0.3 1,-0.1 -1,-0.2 0.232 80.5 52.7 -96.8 4.6 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 -0.987 121.1 -3.5-144.9 135.5 0.7 3.9 9.6 45 75 A K S > >S+ 0 0 80 -2,-0.3 5,-2.9 1,-0.1 3,-1.4 0.718 77.9 147.1 58.9 25.7 -2.8 5.2 10.4 46 76 A A G > 5 + 0 0 35 1,-0.3 3,-1.8 3,-0.2 -1,-0.1 0.895 69.6 52.6 -58.8 -41.3 -3.5 2.1 12.6 47 77 A R G 3 5S+ 0 0 230 1,-0.3 -1,-0.3 2,-0.1 -8,-0.1 0.623 109.8 49.9 -74.9 -8.4 -5.6 4.1 14.9 48 78 A Q G X 5S- 0 0 90 -3,-1.4 3,-1.8 -10,-0.1 -1,-0.3 0.056 121.4-105.8-107.4 17.0 -7.7 5.3 12.0 49 79 A G T < 5S- 0 0 9 -3,-1.8 -11,-0.2 1,-0.3 -3,-0.2 0.801 75.7 -57.1 64.5 29.6 -8.2 1.8 10.6 50 80 A G T 3 -A 7 0A 77 -2,-0.4 3,-2.3 -49,-0.2 4,-0.3 -0.489 38.0 -82.2 -79.8 158.0 -4.9 14.2 -4.6 57 87 A R T 3 S+ 0 0 71 -51,-2.8 -1,-0.1 -54,-0.3 -51,-0.0 -0.337 119.2 29.4 -58.3 130.8 -2.9 13.2 -7.5 58 88 A G T 3 S+ 0 0 64 2,-0.2 -1,-0.3 -3,-0.1 4,-0.1 0.101 100.1 86.3 102.8 -15.3 0.7 14.0 -6.9 59 89 A S S < S+ 0 0 59 -3,-2.3 2,-0.3 2,-0.1 -2,-0.1 0.556 76.3 73.1 -93.7 -10.5 0.5 13.7 -3.2 60 90 A M S S- 0 0 18 -4,-0.3 -2,-0.2 1,-0.1 5,-0.1 -0.820 93.4 -95.9-107.8 148.6 1.2 9.9 -2.9 61 91 A V >> - 0 0 42 -2,-0.3 4,-2.6 1,-0.1 3,-0.6 -0.273 49.0-104.3 -58.6 143.0 4.4 8.0 -3.5 62 92 A G H 3> S+ 0 0 34 1,-0.3 4,-2.5 2,-0.2 5,-0.3 0.841 114.3 41.3 -46.5 -55.9 4.6 6.7 -7.1 63 93 A P H 3> S+ 0 0 59 0, 0.0 4,-1.8 0, 0.0 -1,-0.3 0.856 117.1 50.6 -67.2 -32.7 3.9 3.0 -6.8 64 94 A F H <> S+ 0 0 7 -3,-0.6 4,-2.6 2,-0.2 -2,-0.2 0.938 111.1 48.5 -65.8 -46.1 1.2 3.7 -4.3 65 95 A Q H X S+ 0 0 30 -4,-2.6 4,-2.5 2,-0.2 5,-0.2 0.906 111.3 48.6 -60.9 -45.8 -0.5 6.3 -6.5 66 96 A E H X S+ 0 0 152 -4,-2.5 4,-0.9 -5,-0.2 -1,-0.2 0.912 114.6 46.0 -63.7 -42.7 -0.4 4.1 -9.6 67 97 A A H < S+ 0 0 20 -4,-1.8 4,-0.3 -5,-0.3 -2,-0.2 0.894 113.2 50.7 -64.6 -41.5 -1.9 1.2 -7.6 68 98 A A H >< S+ 0 0 0 -4,-2.6 3,-1.4 1,-0.2 -2,-0.2 0.918 108.1 48.5 -68.3 -45.6 -4.6 3.4 -6.0 69 99 A F H 3< S+ 0 0 21 -4,-2.5 -1,-0.2 1,-0.3 -2,-0.2 0.721 106.7 60.3 -70.8 -16.0 -6.0 5.1 -9.1 70 100 A A T 3< S+ 0 0 81 -4,-0.9 -1,-0.3 -5,-0.2 -2,-0.2 0.522 91.1 85.9 -81.9 -9.8 -6.2 1.6 -10.7 71 101 A L S < S- 0 0 16 -3,-1.4 2,-0.1 -4,-0.3 3,-0.1 -0.809 75.6-132.5 -96.4 134.9 -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 -0.419 40.3 -85.9 -72.9 157.0 -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 -0.399 59.3 167.1 -59.6 134.9 -14.3 2.3 -5.3 74 104 A S - 0 0 16 23,-2.5 2,-0.3 6,-0.1 22,-0.0 -0.889 26.7-127.1-141.4 170.6 -15.3 -0.4 -2.9 75 105 A G B > -E 78 0B 34 3,-0.7 3,-0.8 -2,-0.3 22,-0.1 -0.789 32.8-101.9-116.4 168.7 -16.6 -0.7 0.7 76 106 A M T 3 S+ 0 0 30 -2,-0.3 -42,-0.3 1,-0.2 -1,-0.0 0.751 119.8 53.0 -72.1 -14.2 -15.4 -2.7 3.6 77 107 A D T 3 S+ 0 0 143 1,-0.2 -1,-0.2 -44,-0.1 -44,-0.0 0.810 126.2 24.0 -81.2 -22.6 -18.1 -5.4 3.2 78 108 A K B < S-E 75 0B 170 -3,-0.8 -3,-0.7 2,-0.0 -1,-0.2 -0.596 91.7-177.3-135.3 62.7 -17.2 -5.9 -0.5 79 109 A P - 0 0 49 0, 0.0 2,-0.4 0, 0.0 -3,-0.1 -0.334 20.6-162.0 -73.6 152.8 -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 -0.985 28.6 168.6-127.7 109.8 -11.3 -4.6 -3.7 81 111 A F B -C 96 0A 46 -2,-0.4 2,-0.2 15,-0.1 15,-0.2 -0.858 40.4 -83.2-124.1 162.9 -7.7 -4.3 -2.7 82 112 A T - 0 0 14 13,-2.1 4,-0.1 -2,-0.3 13,-0.0 -0.449 43.2-154.3 -66.4 127.2 -4.2 -4.6 -4.1 83 113 A D S S+ 0 0 86 -2,-0.2 11,-0.1 1,-0.1 3,-0.0 -0.874 79.0 36.4-146.2 113.7 -2.9 -8.2 -4.4 84 114 A P S S- 0 0 98 0, 0.0 -1,-0.1 0, 0.0 0, 0.0 0.389 107.9-105.3 -78.6 170.6 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 -0.265 33.8-118.9 -59.1 151.4 1.1 -5.9 -1.9 86 116 A V E -D 93 0A 26 7,-2.9 7,-2.8 -4,-0.1 2,-0.4 -0.844 20.0-140.8-101.5 126.7 2.8 -2.8 -3.4 87 117 A K E +D 92 0A 108 -2,-0.5 2,-0.3 5,-0.2 5,-0.2 -0.708 30.0 158.3 -88.4 132.1 6.3 -2.0 -2.5 88 118 A T E > -D 91 0A 7 3,-2.7 3,-1.3 -2,-0.4 -27,-0.0 -0.813 61.3 -84.9-134.0 178.8 7.3 1.6 -1.9 89 119 A K T 3 S+ 0 0 186 -2,-0.3 3,-0.1 1,-0.2 -2,-0.0 0.693 129.1 55.8 -60.8 -15.9 10.2 3.3 -0.0 90 120 A F T 3 S- 0 0 122 1,-0.3 2,-0.3 -75,-0.0 -1,-0.2 0.677 119.1-101.8 -82.9 -24.5 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,-0.4 -0.970 64.4 -18.8 136.1-151.8 7.5 -0.8 2.8 92 122 A Y E -BD 15 87A 58 -77,-2.9 -77,-2.5 -2,-0.3 2,-0.4 -0.833 58.1-165.4-102.3 133.5 4.7 -3.0 1.6 93 123 A H E -BD 14 86A 3 -7,-2.8 -7,-2.9 -2,-0.4 2,-0.5 -0.918 18.2-161.2-120.3 141.6 1.2 -1.7 1.3 94 124 A I E -B 13 0A 0 -81,-2.1 -81,-2.1 -2,-0.4 2,-0.4 -0.985 31.2-167.3-109.5 129.3 -2.2 -3.3 0.8 95 125 A I E +B 12 0A 0 -2,-0.5 -13,-2.1 -83,-0.2 2,-0.3 -0.931 20.9 177.4-125.5 142.0 -4.6 -0.6 -0.5 96 126 A M E -BC 11 81A 0 -85,-2.5 -85,-2.5 -2,-0.4 2,-0.4 -0.947 20.9-137.8-133.1 160.3 -8.3 -0.1 -1.0 97 127 A V E +B 10 0A 0 -17,-0.6 -23,-2.5 -25,-0.5 -87,-0.2 -0.969 19.0 176.5-122.8 126.6 -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 0.516 71.3 20.8-109.1 -3.0 -13.4 4.1 -0.8 99 129 A G E -B 9 0A 10 -90,-1.1 -90,-2.4 -27,-0.0 2,-0.3 -0.984 60.6-163.3-163.5 151.3 -14.0 7.3 -2.9 100 130 A R E B 8 0A 118 -2,-0.3 -92,-0.2 -92,-0.2 -94,-0.0 -0.996 360.0 360.0-143.9 136.4 -12.9 8.7 -6.3 101 131 A K 0 0 150 -94,-2.5 -93,-0.1 -2,-0.3 -95,-0.1 0.481 360.0 360.0-127.4 360.0 -12.9 12.2 -7.9