==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=19-JUL-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ISOMERASE 26-APR-12 4EVG . COMPND 2 MOLECULE: MACROPHAGE MIGRATION INHIBITORY FACTOR; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR A.ASHRAFI,F.POJER,H.LASHUEL . 342 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14072.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 250 73.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 42 12.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 62 18.1 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 1.8 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 . 13 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 9.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 84 24.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 1.2 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 4 2 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 17 0, 0.0 37,-2.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 154.8 1.7 -13.5 33.8 2 2 A M E -aB 38 62A 9 60,-2.3 60,-2.9 35,-0.2 2,-0.5 -0.999 360.0-168.2-132.1 127.8 -1.8 -13.5 32.2 3 3 A F E -aB 39 61A 1 35,-2.4 37,-1.9 -2,-0.4 2,-0.4 -0.979 5.5-173.7-122.1 126.7 -2.5 -12.3 28.6 4 4 A I E -aB 40 60A 28 56,-2.4 56,-2.3 -2,-0.5 2,-0.4 -0.959 4.4-170.8-122.1 129.5 -6.1 -11.8 27.5 5 5 A V E -aB 41 59A 0 35,-2.7 37,-3.1 -2,-0.4 2,-0.5 -0.984 2.3-174.2-119.8 127.8 -7.2 -10.9 23.9 6 6 A N E +aB 42 58A 37 52,-2.5 52,-2.9 -2,-0.4 2,-0.3 -0.978 22.5 165.3-117.6 129.6 -10.9 -9.9 23.0 7 7 A T E - B 0 57A 0 35,-2.9 38,-2.4 -2,-0.5 50,-0.2 -0.991 49.3-136.2-145.6 153.4 -11.4 -9.5 19.3 8 8 A N S S+ 0 0 30 48,-1.0 49,-0.1 -2,-0.3 3,-0.1 0.458 72.4 116.2 -82.1 -3.0 -14.1 -9.2 16.6 9 9 A V S S- 0 0 7 47,-0.5 35,-2.4 1,-0.1 36,-0.3 -0.435 77.1-106.8 -64.9 135.4 -12.1 -11.6 14.4 10 10 A P > - 0 0 65 0, 0.0 3,-1.9 0, 0.0 4,-0.4 -0.336 20.2-113.8 -69.6 153.1 -14.3 -14.8 13.9 11 11 A R G > S+ 0 0 182 1,-0.3 3,-1.7 2,-0.2 -2,-0.1 0.864 115.4 60.0 -52.4 -41.2 -13.4 -18.0 15.7 12 12 A A G 3 S+ 0 0 101 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.722 100.5 55.2 -57.7 -24.7 -12.6 -19.7 12.4 13 13 A S G < S+ 0 0 67 -3,-1.9 -1,-0.3 2,-0.1 -2,-0.2 0.465 82.3 95.6 -91.5 -1.3 -9.9 -17.2 11.7 14 14 A V S < S- 0 0 32 -3,-1.7 73,-0.1 -4,-0.4 3,-0.1 -0.832 82.0-128.0 -86.3 115.9 -8.0 -17.9 14.9 15 15 A P > - 0 0 49 0, 0.0 3,-1.6 0, 0.0 -2,-0.1 -0.222 22.0-100.1 -67.7 147.6 -5.4 -20.4 13.8 16 16 A D T 3 S+ 0 0 170 1,-0.2 0, 0.0 2,-0.1 0, 0.0 -0.369 109.9 32.8 -57.4 151.0 -4.9 -23.7 15.5 17 17 A G T 3> S+ 0 0 53 -3,-0.1 4,-2.4 3,-0.0 -1,-0.2 0.381 80.0 122.7 86.9 -2.0 -2.0 -23.7 17.9 18 18 A F H <> S+ 0 0 5 -3,-1.6 4,-3.1 1,-0.2 5,-0.2 0.867 70.7 52.1 -64.2 -42.9 -2.4 -19.9 18.8 19 19 A L H > S+ 0 0 41 1,-0.2 4,-2.1 2,-0.2 -1,-0.2 0.899 112.8 46.3 -58.8 -43.7 -2.8 -20.4 22.6 20 20 A S H > S+ 0 0 56 2,-0.2 4,-2.6 1,-0.2 -2,-0.2 0.914 111.9 50.3 -64.3 -39.1 0.4 -22.4 22.7 21 21 A E H X S+ 0 0 40 -4,-2.4 4,-2.6 2,-0.2 5,-0.3 0.948 111.6 48.5 -66.1 -43.0 2.3 -19.9 20.5 22 22 A L H X S+ 0 0 2 -4,-3.1 4,-2.4 1,-0.2 5,-0.3 0.921 112.0 50.0 -58.9 -40.8 1.1 -17.0 22.8 23 23 A T H X S+ 0 0 3 -4,-2.1 4,-2.5 -5,-0.2 -2,-0.2 0.946 114.5 44.1 -64.3 -48.0 2.3 -19.1 25.9 24 24 A Q H X S+ 0 0 114 -4,-2.6 4,-2.3 2,-0.2 -1,-0.2 0.919 115.8 45.2 -63.9 -46.7 5.8 -19.8 24.3 25 25 A Q H X S+ 0 0 69 -4,-2.6 4,-2.8 1,-0.2 -1,-0.2 0.890 115.1 48.1 -73.2 -36.4 6.4 -16.2 23.1 26 26 A L H X S+ 0 0 1 -4,-2.4 4,-2.5 -5,-0.3 6,-0.3 0.901 109.0 53.5 -70.8 -37.6 5.2 -14.7 26.4 27 27 A A H X>S+ 0 0 10 -4,-2.5 5,-1.7 -5,-0.3 4,-1.1 0.977 115.0 41.8 -58.6 -44.2 7.4 -17.1 28.4 28 28 A Q H ><5S+ 0 0 153 -4,-2.3 3,-0.5 1,-0.2 -2,-0.2 0.932 114.7 50.4 -64.7 -43.0 10.4 -16.0 26.3 29 29 A A H 3<5S+ 0 0 40 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.837 118.9 36.1 -67.7 -37.9 9.4 -12.3 26.4 30 30 A T H 3<5S- 0 0 3 -4,-2.5 -1,-0.3 -5,-0.2 -2,-0.2 0.545 105.5-125.0 -93.0 -7.8 9.0 -12.1 30.2 31 31 A G T <<5 + 0 0 57 -4,-1.1 -3,-0.2 -3,-0.5 -4,-0.1 0.837 68.3 126.0 63.7 39.7 11.9 -14.6 31.0 32 32 A K < - 0 0 50 -5,-1.7 -1,-0.3 -6,-0.3 -2,-0.2 -0.901 69.8 -94.7-124.4 150.2 9.6 -16.8 33.0 33 33 A P > - 0 0 64 0, 0.0 3,-2.0 0, 0.0 4,-0.2 -0.369 34.4-120.2 -63.8 145.1 8.9 -20.5 32.7 34 34 A P G > S+ 0 0 59 0, 0.0 3,-1.5 0, 0.0 131,-0.2 0.693 107.1 75.5 -60.8 -23.7 5.8 -21.3 30.6 35 35 A Q G 3 S+ 0 0 129 1,-0.2 132,-0.1 130,-0.1 131,-0.1 0.733 96.7 50.7 -58.4 -23.6 4.2 -23.1 33.6 36 36 A Y G < S+ 0 0 122 -3,-2.0 2,-0.4 129,-0.1 -1,-0.2 0.516 91.5 94.3 -89.0 -2.8 3.5 -19.6 35.0 37 37 A I < - 0 0 0 -3,-1.5 128,-2.6 -4,-0.2 129,-0.7 -0.739 50.4-172.0-104.1 129.0 1.9 -18.1 31.8 38 38 A A E -aC 2 164A 0 -37,-2.5 -35,-2.4 -2,-0.4 2,-0.3 -0.941 5.6-172.9-112.9 143.0 -1.9 -18.1 31.3 39 39 A V E -aC 3 163A 0 124,-2.5 124,-2.6 -2,-0.4 2,-0.3 -0.970 7.4-176.5-138.0 152.1 -3.5 -17.0 28.0 40 40 A H E -aC 4 162A 4 -37,-1.9 -35,-2.7 -2,-0.3 2,-0.4 -0.928 4.0-169.2-153.2 128.2 -7.0 -16.4 27.0 41 41 A V E -aC 5 161A 5 120,-2.5 120,-0.6 -2,-0.3 -35,-0.2 -0.964 0.4-171.6-128.7 124.1 -8.4 -15.5 23.5 42 42 A V E -a 6 0A 15 -37,-3.1 -35,-2.9 -2,-0.4 3,-0.3 -0.907 13.3-179.2-120.4 99.9 -12.1 -14.4 23.0 43 43 A P + 0 0 27 0, 0.0 -35,-0.2 0, 0.0 118,-0.0 -0.212 54.2 46.5 -87.0-179.0 -13.1 -14.1 19.3 44 44 A D S S+ 0 0 83 -35,-2.4 -36,-0.3 1,-0.2 2,-0.2 0.694 75.7 160.4 64.3 26.0 -16.5 -13.1 17.7 45 45 A Q - 0 0 37 -38,-2.4 2,-1.0 -3,-0.3 -1,-0.2 -0.532 48.0-122.4 -84.7 153.2 -16.9 -10.0 19.9 46 46 A A E +H 271 0B 51 225,-0.6 225,-2.2 -2,-0.2 2,-0.3 -0.788 61.3 133.9 -85.6 99.6 -19.2 -7.1 19.2 47 47 A M E -H 270 0B 4 -2,-1.0 2,-0.3 223,-0.2 223,-0.2 -0.979 37.9-158.8-149.7 153.2 -16.6 -4.2 19.3 48 48 A A E -H 269 0B 6 221,-2.4 221,-2.5 -2,-0.3 2,-0.5 -0.970 5.4-156.7-126.2 151.6 -15.5 -1.1 17.4 49 49 A F E > S-HI 268 52B 10 3,-2.4 3,-1.8 -2,-0.3 219,-0.2 -0.995 85.5 -10.9-128.8 121.3 -12.2 0.8 17.4 50 50 A G T 3 S- 0 0 24 217,-2.5 218,-0.1 -2,-0.5 -1,-0.1 0.787 128.6 -59.0 58.4 35.0 -12.5 4.5 16.3 51 51 A G T 3 S+ 0 0 37 216,-0.5 2,-0.3 1,-0.2 -1,-0.3 0.280 114.6 115.1 81.1 -3.7 -16.1 3.8 15.2 52 52 A S B < -I 49 0B 37 -3,-1.8 -3,-2.4 213,-0.1 -1,-0.2 -0.786 56.1-156.0 -99.5 142.8 -15.0 1.1 12.7 53 53 A S + 0 0 89 -2,-0.3 3,-0.1 -5,-0.2 -6,-0.1 0.210 55.3 126.6-102.8 17.1 -15.9 -2.6 12.9 54 54 A E S S- 0 0 120 -5,-0.2 -5,-0.2 1,-0.2 -46,-0.1 -0.294 83.4 -61.2 -61.1 157.9 -12.8 -3.5 10.8 55 55 A P S S+ 0 0 48 0, 0.0 35,-0.4 0, 0.0 2,-0.3 -0.141 75.9 155.7 -47.6 139.1 -10.7 -6.2 12.7 56 56 A C - 0 0 0 -3,-0.1 -48,-1.0 33,-0.1 -47,-0.5 -0.936 27.9-143.1-156.0 169.8 -9.4 -4.9 16.1 57 57 A A E -Bd 7 94A 0 36,-2.1 38,-2.2 -2,-0.3 2,-0.5 -0.998 7.5-164.0-145.7 137.0 -8.3 -6.1 19.5 58 58 A L E +Bd 6 95A 5 -52,-2.9 -52,-2.5 -2,-0.3 2,-0.3 -0.997 33.1 168.3-118.8 120.4 -8.7 -5.0 23.2 59 59 A C E -Bd 5 96A 4 36,-2.3 38,-2.6 -2,-0.5 2,-0.3 -0.843 24.6-154.4-134.3 164.0 -6.1 -6.9 25.3 60 60 A S E -Bd 4 97A 17 -56,-2.3 -56,-2.4 -2,-0.3 2,-0.5 -0.999 1.8-164.7-140.6 144.8 -4.5 -7.0 28.7 61 61 A L E -Bd 3 98A 0 36,-2.7 38,-2.7 -2,-0.3 2,-0.5 -0.986 10.8-174.5-128.9 122.8 -1.2 -8.3 30.1 62 62 A H E +Bd 2 99A 15 -60,-2.9 -60,-2.3 -2,-0.5 2,-0.3 -0.957 12.4 161.8-113.2 137.8 -0.9 -8.7 33.9 63 63 A S E - d 0 100A 3 36,-2.4 38,-2.4 -2,-0.5 2,-1.1 -0.995 47.7-116.5-152.1 143.0 2.5 -9.6 35.5 64 64 A I S S- 0 0 62 -2,-0.3 38,-0.1 36,-0.2 36,-0.1 -0.775 91.9 -37.7 -78.2 99.7 4.0 -9.4 39.0 65 65 A G S S+ 0 0 24 -2,-1.1 36,-0.2 36,-0.4 3,-0.1 -0.097 100.2 100.4 65.9-169.8 6.8 -7.0 37.9 66 66 A K + 0 0 98 1,-0.3 2,-0.4 34,-0.1 -1,-0.1 0.789 66.6 118.4 61.0 34.6 8.6 -6.9 34.5 67 67 A I + 0 0 18 -4,-0.1 2,-0.3 4,-0.1 -1,-0.3 -0.989 34.5 97.1-127.7 130.6 6.2 -4.1 33.5 68 68 A G S > S- 0 0 20 -2,-0.4 4,-3.2 266,-0.2 5,-0.3 -0.976 76.9 -50.7 172.3-170.5 7.4 -0.6 32.7 69 69 A G H > S+ 0 0 31 -2,-0.3 4,-1.5 1,-0.2 -1,-0.1 0.874 126.7 25.3 -49.8 -66.8 8.3 1.9 30.0 70 70 A A H > S+ 0 0 73 2,-0.2 4,-2.0 1,-0.2 -1,-0.2 0.883 122.6 54.7 -69.3 -42.0 10.8 0.1 27.8 71 71 A Q H > S+ 0 0 77 1,-0.2 4,-2.6 2,-0.2 -2,-0.2 0.927 108.3 49.3 -60.1 -39.2 9.5 -3.4 28.6 72 72 A N H X S+ 0 0 0 -4,-3.2 4,-2.3 1,-0.2 -1,-0.2 0.848 107.1 53.7 -71.0 -34.3 6.0 -2.5 27.6 73 73 A R H X S+ 0 0 104 -4,-1.5 4,-2.2 -5,-0.3 -1,-0.2 0.924 110.9 48.6 -62.9 -40.8 7.1 -1.0 24.3 74 74 A S H X S+ 0 0 77 -4,-2.0 4,-2.6 2,-0.2 -2,-0.2 0.940 110.1 50.2 -64.3 -43.4 8.8 -4.4 23.6 75 75 A Y H X S+ 0 0 5 -4,-2.6 4,-3.2 1,-0.2 5,-0.3 0.908 109.8 52.5 -58.7 -40.4 5.7 -6.4 24.6 76 76 A S H X S+ 0 0 0 -4,-2.3 4,-2.9 2,-0.2 5,-0.4 0.929 108.7 47.9 -66.5 -40.0 3.6 -4.2 22.3 77 77 A K H X S+ 0 0 146 -4,-2.2 4,-1.9 263,-0.4 -2,-0.2 0.969 116.4 44.7 -68.3 -43.4 5.9 -4.8 19.3 78 78 A L H X S+ 0 0 43 -4,-2.6 4,-2.1 2,-0.2 -2,-0.2 0.943 119.2 40.9 -60.8 -46.5 5.8 -8.6 20.0 79 79 A L H X S+ 0 0 1 -4,-3.2 4,-2.4 2,-0.2 -3,-0.2 0.903 115.6 47.0 -79.6 -40.0 2.1 -8.9 20.6 80 80 A C H X S+ 0 0 0 -4,-2.9 4,-2.6 -5,-0.3 -1,-0.2 0.900 111.2 55.9 -60.2 -37.7 0.9 -6.5 17.8 81 81 A G H X S+ 0 0 31 -4,-1.9 4,-2.8 -5,-0.4 -2,-0.2 0.941 111.0 42.9 -60.0 -46.3 3.3 -8.5 15.6 82 82 A L H X>S+ 0 0 7 -4,-2.1 4,-3.2 2,-0.2 5,-0.5 0.900 114.6 49.2 -65.3 -43.0 1.5 -11.8 16.5 83 83 A L H X5S+ 0 0 1 -4,-2.4 6,-1.7 2,-0.2 4,-1.4 0.894 115.4 44.8 -68.3 -32.1 -2.0 -10.3 16.2 84 84 A A H X5S+ 0 0 25 -4,-2.6 4,-1.1 4,-0.3 -2,-0.2 0.941 119.6 42.3 -73.0 -49.4 -1.1 -8.8 12.7 85 85 A E H <5S+ 0 0 93 -4,-2.8 -2,-0.2 -5,-0.2 -3,-0.2 0.935 128.2 25.9 -62.2 -48.0 0.6 -12.1 11.6 86 86 A R H <5S+ 0 0 95 -4,-3.2 -3,-0.2 -5,-0.2 -2,-0.2 0.831 135.9 25.2 -91.7 -37.7 -2.0 -14.6 13.0 87 87 A L H < - 0 0 60 -2,-0.4 3,-2.7 -35,-0.4 249,-0.1 -0.563 18.6-124.4 -73.7 143.1 -3.4 -3.8 12.1 91 91 A P G > S+ 0 0 27 0, 0.0 248,-2.4 0, 0.0 3,-1.2 0.758 109.9 61.4 -55.2 -31.1 -1.3 -2.8 15.0 92 92 A D G 3 S+ 0 0 75 1,-0.3 -2,-0.1 246,-0.2 -36,-0.0 0.429 99.7 56.9 -85.3 14.7 -3.0 0.7 15.1 93 93 A R G < S+ 0 0 35 -3,-2.7 -36,-2.1 2,-0.0 2,-0.4 -0.082 93.3 89.4-123.2 28.0 -6.3 -1.1 15.8 94 94 A V E < -d 57 0A 0 -3,-1.2 245,-0.5 -38,-0.2 2,-0.4 -0.993 51.3-171.9-127.3 131.0 -5.0 -2.9 19.0 95 95 A Y E -dE 58 338A 6 -38,-2.2 -36,-2.3 -2,-0.4 2,-0.4 -0.976 3.5-174.4-116.8 137.0 -5.0 -1.6 22.6 96 96 A I E -dE 59 337A 0 241,-1.9 241,-3.5 -2,-0.4 2,-0.5 -0.965 11.2-154.0-130.1 117.4 -3.1 -3.6 25.3 97 97 A N E -dE 60 336A 5 -38,-2.6 -36,-2.7 -2,-0.4 2,-0.4 -0.785 12.4-149.8 -94.0 127.7 -3.4 -2.4 29.0 98 98 A Y E -d 61 0A 2 237,-2.8 2,-0.5 -2,-0.5 -36,-0.2 -0.843 11.3-168.7 -98.2 136.7 -0.5 -3.4 31.1 99 99 A Y E -d 62 0A 36 -38,-2.7 -36,-2.4 -2,-0.4 2,-0.9 -0.973 15.0-154.6-130.9 120.8 -0.9 -4.1 34.8 100 100 A D E -d 63 0A 88 -2,-0.5 2,-0.3 -38,-0.2 -36,-0.2 -0.810 27.6-155.7 -85.5 104.9 2.0 -4.5 37.3 101 101 A M - 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