==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=11-MAR-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 22-DEC-09 3L5V . COMPND 2 MOLECULE: MACROPHAGE MIGRATION INHIBITORY FACTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR L.MCLEAN,Y.ZHANG . 349 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14444.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 252 72.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 12.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 61 17.5 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 1.7 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 . 18 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 33 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 24.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.6 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 0 0 0 0 0 3 0 0 0 0 0 3 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 0 0 3 0 3 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 . 3 5 1 3 0 3 0 0 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 0 0 0 3 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 P 0 0 19 0, 0.0 37,-2.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 156.1 3.4 -16.5 -11.7 2 2 A M E -aB 38 62A 8 60,-2.2 60,-2.5 35,-0.2 2,-0.5 -0.991 360.0-172.9-132.4 123.7 3.8 -19.9 -10.1 3 3 A F E -aB 39 61A 1 35,-2.5 37,-2.0 -2,-0.4 2,-0.4 -0.975 3.8-176.1-120.9 126.0 4.9 -20.5 -6.5 4 4 A I E -aB 40 60A 26 56,-2.3 56,-1.9 -2,-0.5 2,-0.5 -0.974 5.2-169.8-121.9 130.2 5.6 -24.0 -5.2 5 5 A V E -aB 41 59A 0 35,-2.8 37,-3.2 -2,-0.4 2,-0.5 -0.981 0.7-172.6-118.2 122.6 6.6 -24.9 -1.6 6 6 A N E +aB 42 58A 36 52,-2.4 52,-2.7 -2,-0.5 2,-0.3 -0.950 20.9 162.9-108.7 131.4 7.8 -28.4 -0.7 7 7 A T E - B 0 57A 0 35,-2.6 38,-2.4 -2,-0.5 50,-0.2 -0.992 49.0-135.9-149.4 151.5 8.2 -28.9 3.1 8 8 A N S S+ 0 0 31 48,-1.0 49,-0.1 -2,-0.3 3,-0.1 0.487 72.5 116.6 -84.8 -3.6 8.6 -31.7 5.7 9 9 A V S S- 0 0 7 47,-0.4 35,-2.4 33,-0.1 36,-0.2 -0.420 76.8-103.4 -62.1 137.1 6.1 -29.7 7.9 10 10 A P > - 0 0 62 0, 0.0 3,-1.5 0, 0.0 4,-0.3 -0.250 19.2-121.0 -63.5 150.4 2.9 -31.8 8.5 11 11 A R G > S+ 0 0 134 1,-0.3 3,-1.8 2,-0.2 -2,-0.1 0.863 112.7 64.4 -58.4 -34.6 -0.3 -30.9 6.5 12 12 A A G 3 S+ 0 0 101 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.745 96.9 57.4 -61.7 -22.8 -2.0 -30.4 9.9 13 13 A S G < S+ 0 0 64 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.511 78.9 101.9 -89.9 -6.4 0.4 -27.5 10.5 14 14 A V S < S- 0 0 25 -3,-1.8 2,-0.1 -4,-0.3 73,-0.1 -0.711 74.4-132.6 -78.3 117.2 -0.6 -25.6 7.4 15 15 A P > - 0 0 46 0, 0.0 3,-1.9 0, 0.0 -2,-0.1 -0.381 21.3 -95.2 -76.3 146.4 -3.0 -22.9 8.6 16 16 A D T 3 S+ 0 0 176 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.356 113.4 31.0 -49.0 130.9 -6.4 -22.0 7.2 17 17 A G T 3> S+ 0 0 45 -3,-0.1 4,-2.6 4,-0.0 -1,-0.2 0.264 81.2 118.8 103.9 -10.7 -5.8 -19.1 4.8 18 18 A F H <> S+ 0 0 4 -3,-1.9 4,-2.5 1,-0.2 5,-0.2 0.908 74.7 46.7 -63.3 -48.4 -2.3 -20.0 3.7 19 19 A L H > S+ 0 0 28 1,-0.2 4,-2.3 2,-0.2 -1,-0.2 0.882 115.6 48.5 -59.4 -37.5 -2.9 -20.5 -0.1 20 20 A S H > S+ 0 0 57 2,-0.2 4,-2.7 1,-0.2 5,-0.2 0.887 109.5 51.1 -71.8 -39.4 -4.9 -17.2 -0.2 21 21 A E H X S+ 0 0 41 -4,-2.6 4,-2.5 2,-0.2 5,-0.3 0.915 112.7 46.7 -63.0 -42.7 -2.2 -15.3 1.7 22 22 A L H X S+ 0 0 1 -4,-2.5 4,-2.2 -5,-0.2 5,-0.3 0.928 112.7 50.1 -63.8 -44.7 0.4 -16.5 -0.7 23 23 A T H X S+ 0 0 4 -4,-2.3 4,-2.0 -5,-0.2 -2,-0.2 0.949 116.0 40.9 -58.7 -50.8 -1.8 -15.7 -3.7 24 24 A Q H X S+ 0 0 126 -4,-2.7 4,-1.9 2,-0.2 -2,-0.2 0.896 116.2 47.2 -69.0 -42.7 -2.5 -12.2 -2.6 25 25 A Q H X S+ 0 0 63 -4,-2.5 4,-2.3 -5,-0.2 -1,-0.2 0.843 114.1 48.1 -72.3 -31.3 0.9 -11.2 -1.3 26 26 A L H X S+ 0 0 2 -4,-2.2 4,-2.5 -5,-0.3 6,-0.4 0.856 107.6 54.8 -74.9 -35.3 2.6 -12.6 -4.4 27 27 A A H X S+ 0 0 10 -4,-2.0 4,-1.4 -5,-0.3 5,-0.4 0.941 114.3 42.9 -58.6 -44.7 0.1 -10.7 -6.7 28 28 A Q H < S+ 0 0 149 -4,-1.9 -2,-0.2 2,-0.2 -1,-0.2 0.915 114.8 48.0 -68.1 -44.9 1.1 -7.6 -4.9 29 29 A A H < S+ 0 0 40 -4,-2.3 -2,-0.2 1,-0.2 -1,-0.2 0.890 120.1 36.4 -65.9 -40.6 4.9 -8.3 -4.8 30 30 A T H < S- 0 0 2 -4,-2.5 -1,-0.2 2,-0.2 -2,-0.2 0.649 100.5-129.1 -88.7 -17.0 5.2 -9.2 -8.5 31 31 A G < + 0 0 63 -4,-1.4 -3,-0.2 1,-0.3 -4,-0.1 0.559 65.4 132.0 77.3 7.2 2.6 -6.7 -9.7 32 32 A K - 0 0 57 -5,-0.4 -1,-0.3 -6,-0.4 -2,-0.2 -0.640 68.9 -93.0 -88.8 149.9 0.9 -9.4 -11.6 33 33 A P > - 0 0 58 0, 0.0 3,-2.3 0, 0.0 4,-0.3 -0.344 27.7-127.6 -63.4 139.0 -2.9 -9.8 -11.4 34 34 A P G > S+ 0 0 62 0, 0.0 3,-1.6 0, 0.0 134,-0.2 0.803 106.8 70.2 -57.5 -27.2 -4.0 -12.2 -8.6 35 35 A Q G 3 S+ 0 0 127 1,-0.3 135,-0.1 133,-0.1 134,-0.0 0.729 102.0 45.5 -59.9 -22.1 -6.1 -14.0 -11.3 36 36 A Y G < S+ 0 0 84 -3,-2.3 2,-0.5 132,-0.1 -1,-0.3 0.337 88.6 105.4-105.3 4.6 -2.8 -15.2 -12.8 37 37 A I < - 0 0 1 -3,-1.6 131,-3.0 -4,-0.3 132,-0.6 -0.768 48.5-169.9 -91.2 126.4 -1.1 -16.3 -9.6 38 38 A A E -aC 2 167A 0 -37,-2.6 -35,-2.5 -2,-0.5 2,-0.3 -0.940 2.2-171.4-115.0 137.9 -0.9 -20.1 -8.9 39 39 A V E -aC 3 166A 0 127,-2.3 127,-2.5 -2,-0.4 2,-0.4 -0.966 5.9-174.2-131.8 149.0 0.3 -21.5 -5.6 40 40 A H E -aC 4 165A 4 -37,-2.0 -35,-2.8 -2,-0.3 2,-0.5 -0.971 3.4-168.2-148.9 119.2 1.1 -25.1 -4.6 41 41 A V E -aC 5 164A 1 123,-2.6 123,-0.7 -2,-0.4 -35,-0.2 -0.957 0.6-171.3-117.3 127.9 2.0 -26.4 -1.2 42 42 A V E -a 6 0A 14 -37,-3.2 -35,-2.6 -2,-0.5 3,-0.3 -0.865 13.7-179.9-124.6 95.5 3.4 -29.8 -0.6 43 43 A P + 0 0 14 0, 0.0 -35,-0.2 0, 0.0 -34,-0.1 -0.244 54.6 41.8 -85.6 175.9 3.6 -30.9 3.1 44 44 A D S S+ 0 0 91 -35,-2.4 -36,-0.3 1,-0.2 2,-0.1 0.737 77.7 165.1 63.6 27.7 4.8 -34.1 4.8 45 45 A Q - 0 0 38 -38,-2.4 2,-1.1 -3,-0.3 -1,-0.2 -0.432 44.8-122.8 -82.3 149.8 7.8 -34.4 2.5 46 46 A L E +H 274 0B 46 228,-0.7 228,-2.7 -2,-0.1 2,-0.3 -0.779 62.8 130.4 -87.4 96.1 10.8 -36.6 3.0 47 47 A M E -H 273 0B 3 -2,-1.1 2,-0.3 226,-0.2 226,-0.2 -0.966 39.7-157.8-147.2 161.2 13.6 -34.0 2.9 48 48 A A E -H 272 0B 5 224,-2.6 224,-2.2 -2,-0.3 2,-0.4 -0.980 6.2-156.2-138.3 151.9 16.6 -32.7 4.8 49 49 A F E > S-HI 271 52B 7 3,-2.5 3,-1.3 -2,-0.3 222,-0.2 -0.981 88.6 -8.3-128.7 116.7 18.5 -29.5 4.9 50 50 A G T 3 S- 0 0 28 220,-2.9 221,-0.1 -2,-0.4 3,-0.1 0.732 128.3 -61.2 68.6 21.4 22.2 -29.7 5.9 51 51 A G T 3 S+ 0 0 35 219,-0.5 2,-0.4 1,-0.3 -1,-0.2 0.495 115.1 115.1 82.6 1.9 21.6 -33.4 6.8 52 52 A S B < -I 49 0B 43 -3,-1.3 -3,-2.5 216,-0.1 -1,-0.3 -0.854 56.8-154.5-108.1 143.5 19.0 -32.3 9.4 53 53 A S + 0 0 87 -2,-0.4 3,-0.2 -5,-0.2 -6,-0.1 0.177 53.8 124.3-104.1 15.6 15.3 -33.1 9.2 54 54 A E S S- 0 0 121 -5,-0.2 -5,-0.1 1,-0.2 -46,-0.1 -0.239 84.0 -55.8 -59.5 164.5 14.1 -30.2 11.3 55 55 A P S S+ 0 0 48 0, 0.0 35,-0.4 0, 0.0 2,-0.3 -0.170 76.7 151.8 -52.4 132.4 11.5 -28.0 9.5 56 56 A C - 0 0 1 -3,-0.2 -48,-1.0 33,-0.1 -47,-0.4 -0.941 27.7-146.8-150.9 169.5 12.8 -26.8 6.1 57 57 A A E -Bd 7 94A 0 36,-2.1 38,-2.0 -2,-0.3 2,-0.5 -0.994 6.8-159.9-147.0 140.9 11.4 -25.8 2.7 58 58 A L E +Bd 6 95A 3 -52,-2.7 -52,-2.4 -2,-0.3 2,-0.3 -0.986 30.3 174.2-118.2 121.4 12.4 -26.0 -0.9 59 59 A C E -Bd 5 96A 4 36,-3.1 38,-2.7 -2,-0.5 2,-0.3 -0.781 22.2-157.6-127.4 163.0 10.6 -23.6 -3.1 60 60 A S E -Bd 4 97A 14 -56,-1.9 -56,-2.3 -2,-0.3 2,-0.4 -0.997 0.2-166.0-138.6 144.0 10.4 -22.2 -6.6 61 61 A L E -Bd 3 98A 0 36,-2.6 38,-2.8 -2,-0.3 2,-0.4 -0.981 8.9-172.5-126.6 121.3 9.0 -19.0 -8.1 62 62 A H E +Bd 2 99A 11 -60,-2.5 -60,-2.2 -2,-0.4 2,-0.3 -0.928 13.6 161.6-108.7 134.9 8.5 -18.7 -11.8 63 63 A S E - d 0 100A 2 36,-2.4 38,-2.6 -2,-0.4 2,-1.3 -0.992 45.2-121.5-148.8 146.4 7.5 -15.4 -13.4 64 64 A I S S- 0 0 52 -2,-0.3 38,-0.1 36,-0.2 36,-0.1 -0.750 91.8 -30.4 -83.9 95.4 7.5 -13.9 -16.9 65 65 A G S S+ 0 0 25 -2,-1.3 36,-0.2 36,-0.3 3,-0.1 -0.251 102.2 94.4 80.9-178.9 9.7 -11.0 -15.9 66 66 A K + 0 0 97 1,-0.2 2,-0.4 34,-0.1 -1,-0.1 0.775 64.5 121.3 62.9 27.5 9.8 -9.2 -12.5 67 67 A I + 0 0 17 -4,-0.1 2,-0.3 34,-0.1 -1,-0.2 -0.987 34.0 101.7-120.9 128.5 12.8 -11.5 -11.6 68 68 A G S > S- 0 0 18 -2,-0.4 4,-3.3 1,-0.2 5,-0.3 -0.980 75.2 -59.4 174.4 179.2 16.1 -9.9 -10.7 69 69 A G H > S+ 0 0 30 -2,-0.3 4,-1.6 1,-0.2 -1,-0.2 0.902 125.4 26.6 -47.3 -68.1 18.6 -8.9 -8.0 70 70 A A H > S+ 0 0 61 1,-0.2 4,-1.8 2,-0.2 -1,-0.2 0.870 122.7 53.4 -69.2 -37.0 16.7 -6.5 -5.8 71 71 A Q H > S+ 0 0 69 1,-0.2 4,-2.4 2,-0.2 -1,-0.2 0.908 108.0 49.9 -65.1 -42.0 13.3 -8.0 -6.7 72 72 A N H X S+ 0 0 0 -4,-3.3 4,-2.1 2,-0.2 -1,-0.2 0.848 107.8 53.7 -67.4 -34.3 14.3 -11.5 -5.7 73 73 A R H X S+ 0 0 43 -4,-1.6 4,-2.1 -5,-0.3 -1,-0.2 0.894 110.1 48.4 -65.4 -37.7 15.7 -10.3 -2.4 74 74 A S H X S+ 0 0 73 -4,-1.8 4,-2.3 2,-0.2 -2,-0.2 0.909 110.5 50.2 -68.1 -41.8 12.3 -8.7 -1.7 75 75 A Y H X S+ 0 0 4 -4,-2.4 4,-3.0 1,-0.2 5,-0.2 0.890 110.8 51.1 -60.6 -38.5 10.5 -11.9 -2.7 76 76 A S H X S+ 0 0 0 -4,-2.1 4,-2.5 2,-0.2 5,-0.4 0.889 108.5 49.3 -70.4 -39.6 12.7 -13.8 -0.3 77 77 A K H X S+ 0 0 152 -4,-2.1 4,-1.6 266,-0.2 -1,-0.2 0.937 116.0 44.9 -61.8 -45.1 12.1 -11.5 2.6 78 78 A L H X S+ 0 0 42 -4,-2.3 4,-1.9 2,-0.2 -2,-0.2 0.942 118.1 41.2 -62.3 -50.1 8.4 -11.8 2.0 79 79 A L H X S+ 0 0 0 -4,-3.0 4,-2.5 2,-0.2 5,-0.2 0.894 114.8 48.6 -75.2 -40.9 8.3 -15.6 1.5 80 80 A C H X S+ 0 0 0 -4,-2.5 4,-2.4 -5,-0.2 5,-0.2 0.889 110.7 55.3 -61.8 -36.3 10.7 -16.5 4.3 81 81 A G H X S+ 0 0 30 -4,-1.6 4,-2.6 -5,-0.4 -2,-0.2 0.922 110.2 43.8 -61.6 -43.7 8.6 -14.3 6.5 82 82 A L H X>S+ 0 0 10 -4,-1.9 4,-2.7 2,-0.2 5,-0.5 0.879 113.6 50.1 -69.0 -38.8 5.4 -16.1 5.6 83 83 A L H X5S+ 0 0 1 -4,-2.5 6,-1.7 3,-0.2 4,-1.4 0.871 114.3 45.8 -68.9 -34.9 7.0 -19.5 6.0 84 84 A A H X5S+ 0 0 35 -4,-2.4 4,-0.9 4,-0.3 -2,-0.2 0.942 118.7 40.4 -70.9 -48.3 8.4 -18.6 9.4 85 85 A E H <5S+ 0 0 121 -4,-2.6 -2,-0.2 -5,-0.2 -3,-0.2 0.905 128.6 28.5 -68.2 -42.7 5.2 -17.0 10.7 86 86 A R H <5S+ 0 0 89 -4,-2.7 -3,-0.2 -5,-0.2 -2,-0.2 0.841 134.8 24.7 -92.6 -36.4 2.8 -19.6 9.3 87 87 A L H < - 0 0 61 -2,-0.5 3,-2.2 -35,-0.4 252,-0.1 -0.437 17.5-130.3 -64.9 134.5 13.6 -21.0 10.0 91 91 A P G > S+ 0 0 29 0, 0.0 251,-2.2 0, 0.0 3,-1.3 0.807 106.8 61.5 -55.3 -31.8 14.6 -18.7 7.1 92 92 A D G 3 S+ 0 0 79 1,-0.3 -2,-0.1 249,-0.2 -36,-0.0 0.380 99.9 56.2 -81.7 8.1 18.0 -20.2 7.0 93 93 A R G < S+ 0 0 34 -3,-2.2 -36,-2.1 2,-0.0 2,-0.4 -0.059 91.7 91.4-122.4 29.9 16.5 -23.6 6.2 94 94 A V E < -d 57 0A 0 -3,-1.3 248,-0.5 -38,-0.2 2,-0.4 -0.990 50.5-171.8-123.3 132.1 14.6 -22.3 3.1 95 95 A Y E -dE 58 341A 9 -38,-2.0 -36,-3.1 -2,-0.4 2,-0.5 -0.986 3.8-170.1-115.3 136.7 15.8 -22.3 -0.5 96 96 A I E -dE 59 340A 0 244,-2.0 244,-3.5 -2,-0.4 2,-0.6 -0.975 9.1-154.4-124.9 117.6 13.8 -20.5 -3.2 97 97 A N E -dE 60 339A 7 -38,-2.7 -36,-2.6 -2,-0.5 2,-0.4 -0.807 13.3-153.1 -89.4 125.2 14.8 -21.0 -6.8 98 98 A Y E -d 61 0A 1 240,-2.9 2,-0.5 -2,-0.6 -36,-0.2 -0.845 8.7-166.9-101.8 134.4 13.7 -18.1 -9.0 99 99 A Y E -d 62 0A 34 -38,-2.8 -36,-2.4 -2,-0.4 2,-1.0 -0.969 14.5-155.3-126.2 118.5 13.0 -18.5 -12.7 100 100 A D E -d 63 0A 99 -2,-0.5 2,-0.3 -38,-0.2 -36,-0.2 -0.800 28.5-157.0 -88.0 101.7 12.6 -15.7 -15.2 101 101 A M - 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