==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER PROTEIN BINDING 17-MAR-10 3M88 . COMPND 2 MOLECULE: AMOEBIASIN-2; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTAMOEBA HISTOLYTICA; . AUTHOR S.LARA-GONZALEZ,L.E.CASADOS-VAZQUEZ,L.G.BRIEBA . 213 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11777.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 151 70.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 9.4 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 35.7 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 . 1 0.5 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 . 26 12.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 8.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 1 0.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 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 4 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 . 0 0 0 0 3 0 2 0 4 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 2 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 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 -3 A P 0 0 119 0, 0.0 2,-0.3 0, 0.0 126,-0.1 0.000 360.0 360.0 360.0 142.4 13.0 -21.7 -11.3 2 -2 A H - 0 0 48 118,-0.1 2,-0.3 2,-0.0 20,-0.2 -0.892 360.0 -86.8-178.7 157.1 12.8 -18.2 -9.6 3 -1 A M E -A 119 0A 48 116,-0.6 116,-2.8 -2,-0.3 2,-0.3 -0.613 45.6-179.1 -79.0 135.2 15.1 -15.6 -8.3 4 17 A A E -A 118 0A 2 -2,-0.3 20,-2.4 114,-0.2 2,-0.5 -0.983 22.1-146.6-132.8 151.0 16.3 -16.0 -4.7 5 18 A I E -Ab 117 24A 20 112,-2.6 112,-2.5 -2,-0.3 2,-0.6 -0.968 17.6-156.6-114.1 121.5 18.6 -13.9 -2.5 6 19 A H E -Ab 116 25A 15 18,-2.8 20,-3.0 -2,-0.5 2,-0.5 -0.887 4.6-149.4-107.5 121.9 20.6 -16.1 -0.0 7 20 A I E -Ab 115 26A 9 108,-2.8 107,-2.6 -2,-0.6 108,-1.0 -0.759 14.0-173.4 -95.4 124.6 21.8 -14.4 3.1 8 21 A L E + b 0 27A 1 18,-2.5 20,-2.9 -2,-0.5 2,-0.2 -0.950 7.8 171.1-115.5 138.5 25.1 -15.7 4.6 9 22 A T > - 0 0 17 -2,-0.4 3,-1.6 18,-0.2 20,-0.2 -0.690 53.8 -79.2-130.8-173.4 26.5 -14.5 8.0 10 23 A E G > S+ 0 0 68 18,-0.4 3,-1.4 1,-0.3 19,-0.1 0.824 124.6 63.9 -57.0 -31.0 29.3 -15.5 10.4 11 24 A K G 3 S+ 0 0 184 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.678 92.8 61.9 -72.5 -17.1 27.1 -18.3 11.7 12 25 A E G X S+ 0 0 21 -3,-1.6 3,-2.4 3,-0.1 -1,-0.3 0.217 71.2 150.0 -96.4 16.1 27.1 -20.1 8.3 13 26 A D T < S+ 0 0 58 -3,-1.4 92,-0.2 1,-0.3 3,-0.1 -0.172 72.2 11.1 -46.7 136.0 30.8 -20.6 8.2 14 27 A H T 3 S+ 0 0 140 90,-2.7 -1,-0.3 1,-0.2 91,-0.2 0.539 95.8 142.9 68.5 6.7 31.7 -23.8 6.3 15 28 A A < - 0 0 20 -3,-2.4 91,-2.5 89,-0.4 2,-0.5 -0.376 47.9-133.9 -71.9 156.9 28.2 -24.1 4.9 16 29 A T E -h 106 0B 65 89,-0.2 2,-0.5 -3,-0.1 91,-0.2 -0.976 20.8-160.4-111.6 128.3 27.4 -25.3 1.4 17 30 A L E -h 107 0B 4 89,-3.1 91,-3.0 -2,-0.5 2,-0.6 -0.906 7.1-155.9-113.6 128.3 24.9 -23.2 -0.5 18 31 A H E +h 108 0B 131 -2,-0.5 2,-0.3 89,-0.2 91,-0.2 -0.926 26.7 167.4-102.9 119.6 23.0 -24.5 -3.5 19 32 A I E -h 109 0B 4 89,-2.8 91,-2.5 -2,-0.6 2,-0.2 -0.886 31.4-116.2-131.0 161.7 21.8 -21.6 -5.7 20 33 A S > - 0 0 51 -2,-0.3 3,-1.9 89,-0.2 -16,-0.1 -0.522 37.2-102.0 -91.2 166.5 20.4 -21.1 -9.2 21 34 A F T 3 S+ 0 0 103 89,-0.8 -1,-0.1 1,-0.3 -18,-0.1 0.754 120.8 45.5 -60.4 -30.2 22.0 -19.2 -12.0 22 35 A N T 3 S+ 0 0 93 -20,-0.2 -1,-0.3 54,-0.1 2,-0.1 0.106 92.2 108.5-103.9 22.4 19.9 -16.1 -11.4 23 36 A D < - 0 0 7 -3,-1.9 2,-0.4 -20,-0.2 -18,-0.2 -0.343 59.1-135.4 -87.0 172.0 20.2 -15.9 -7.7 24 37 A L E -b 5 0A 18 -20,-2.4 -18,-2.8 52,-0.1 2,-0.5 -0.984 5.4-145.7-124.5 145.0 22.2 -13.4 -5.5 25 38 A I E -bC 6 75A 0 50,-2.9 50,-2.9 -2,-0.4 2,-0.6 -0.956 13.8-167.4-107.5 127.1 24.4 -14.2 -2.6 26 39 A K E -bC 7 74A 33 -20,-3.0 -18,-2.5 -2,-0.5 2,-0.5 -0.929 1.4-166.0-117.9 107.3 24.3 -11.6 0.1 27 40 A I E -bC 8 73A 0 46,-3.0 46,-2.4 -2,-0.6 2,-0.5 -0.814 7.6-173.3 -94.2 124.5 27.1 -11.9 2.7 28 41 A Q E + C 0 72A 38 -20,-2.9 -18,-0.4 -2,-0.5 2,-0.3 -0.971 11.1 165.2-126.3 117.2 26.3 -9.7 5.8 29 42 A L E - C 0 71A 1 42,-2.7 42,-3.6 -2,-0.5 2,-0.2 -0.937 34.4-119.5-133.3 145.9 29.0 -9.4 8.5 30 43 A R E + C 0 70A 113 -2,-0.3 2,-0.3 40,-0.2 40,-0.2 -0.616 37.3 173.4 -82.7 150.3 29.7 -7.1 11.5 31 44 A T E - C 0 69A 8 38,-2.0 38,-3.2 -2,-0.2 7,-0.1 -0.975 31.5-143.0-152.2 159.2 32.9 -5.1 11.4 32 45 A N > > - 0 0 25 -2,-0.3 3,-2.2 36,-0.2 5,-0.7 -0.750 16.0-179.4-130.7 84.5 34.6 -2.4 13.5 33 46 A P G > 5S+ 0 0 59 0, 0.0 3,-1.7 0, 0.0 -1,-0.1 0.758 77.4 68.9 -56.8 -28.2 36.4 -0.1 11.0 34 47 A S G 3 5S+ 0 0 103 32,-0.3 33,-0.1 1,-0.3 32,-0.0 0.606 95.5 55.4 -70.0 -11.0 37.7 2.1 13.9 35 48 A T G < 5S- 0 0 47 -3,-2.2 -1,-0.3 2,-0.2 3,-0.1 0.462 117.0-114.6 -93.6 -5.0 39.9 -0.8 15.0 36 49 A G T < 5S+ 0 0 35 -3,-1.7 2,-0.1 1,-0.3 -2,-0.1 0.293 74.7 129.8 87.9 -9.3 41.5 -1.0 11.6 37 50 A Y < + 0 0 57 -5,-0.7 -1,-0.3 54,-0.2 2,-0.3 -0.457 29.4 170.9 -76.3 149.7 40.1 -4.4 10.9 38 51 A A E -I 90 0B 40 52,-1.9 52,-2.4 -2,-0.1 2,-0.3 -0.987 34.0-109.7-153.3 154.5 38.2 -5.2 7.7 39 52 A W E -I 89 0B 13 -2,-0.3 2,-0.4 50,-0.2 50,-0.2 -0.680 28.5-160.7 -83.8 139.7 36.8 -8.2 5.9 40 53 A N E -I 88 0B 91 48,-2.7 48,-1.9 -2,-0.3 2,-0.4 -0.979 6.0-152.5-120.9 134.0 38.6 -9.3 2.7 41 54 A I E -I 87 0B 44 -2,-0.4 2,-0.4 46,-0.2 46,-0.2 -0.872 11.0-174.9-111.6 141.3 36.8 -11.5 0.2 42 55 A E E +I 86 0B 60 44,-2.5 44,-2.6 -2,-0.4 -2,-0.0 -1.000 19.4 138.7-132.2 133.9 38.4 -13.9 -2.3 43 56 A Y - 0 0 63 -2,-0.4 2,-0.3 42,-0.2 42,-0.1 -0.954 61.7 -72.4-158.4 164.7 36.6 -15.9 -5.0 44 57 A P >> - 0 0 62 0, 0.0 3,-1.7 0, 0.0 4,-0.9 -0.544 38.7-142.0 -68.9 130.8 37.4 -16.8 -8.6 45 58 A T T 34 S+ 0 0 85 -2,-0.3 3,-0.0 1,-0.3 -3,-0.0 0.759 98.9 57.8 -65.0 -26.3 36.9 -13.7 -10.8 46 59 A D T 34 S+ 0 0 54 1,-0.2 -1,-0.3 3,-0.0 3,-0.1 0.343 105.3 55.4 -83.5 11.7 35.4 -15.6 -13.6 47 60 A T T <4 S+ 0 0 27 -3,-1.7 31,-3.5 1,-0.3 32,-1.0 0.769 107.1 24.5-117.5 -38.7 32.6 -16.9 -11.3 48 61 A F E < -D 77 0A 5 -4,-0.9 2,-0.4 29,-0.3 -1,-0.3 -0.971 57.4-145.3-128.8 148.3 30.8 -14.0 -9.6 49 62 A S E -D 76 0A 46 27,-3.2 27,-2.5 -2,-0.3 2,-0.9 -0.895 28.7-119.5-103.2 145.5 30.2 -10.3 -10.4 50 63 A L E +D 75 0A 84 -2,-0.4 25,-0.2 25,-0.2 3,-0.2 -0.726 33.6 175.5 -80.0 107.7 30.1 -7.9 -7.5 51 64 A S E - 0 0 60 23,-2.4 2,-0.3 -2,-0.9 -1,-0.2 0.785 68.7 -3.8 -89.4 -23.1 26.7 -6.4 -7.7 52 65 A Q E -D 74 0A 88 22,-1.4 22,-3.2 -3,-0.1 2,-0.4 -0.910 53.6-173.3-164.6 138.7 27.0 -4.3 -4.5 53 66 A D E +D 73 0A 71 -2,-0.3 2,-0.3 20,-0.2 20,-0.2 -0.996 24.8 167.4-133.6 130.4 29.6 -3.8 -1.7 54 67 A T E -D 72 0A 33 18,-2.4 18,-3.0 -2,-0.4 2,-0.4 -0.997 30.3-162.0-148.8 140.0 28.7 -1.7 1.2 55 68 A I E +D 71 0A 94 -2,-0.3 2,-0.3 16,-0.2 16,-0.2 -0.996 29.9 169.0-117.8 133.6 29.6 -0.7 4.7 56 69 A K E -D 70 0A 85 14,-2.4 14,-3.2 -2,-0.4 2,-0.1 -0.996 38.1-105.9-145.0 150.5 26.9 0.9 6.8 57 70 A A E -D 69 0A 68 -2,-0.3 12,-0.2 12,-0.2 8,-0.1 -0.474 57.5 -88.2 -68.4 145.4 26.1 1.9 10.4 58 71 A E - 0 0 35 10,-0.9 -1,-0.1 1,-0.1 8,-0.1 -0.275 29.0-125.5 -60.0 139.1 23.6 -0.4 12.1 59 72 A P S S+ 0 0 113 0, 0.0 -1,-0.1 0, 0.0 -2,-0.0 0.441 109.9 46.5 -66.8 -0.8 19.9 0.4 11.6 60 73 A H S S- 0 0 62 0, 0.0 2,-2.0 0, 0.0 3,-0.2 -0.375 79.6-166.2-138.8 56.6 19.5 0.5 15.4 61 74 A P + 0 0 68 0, 0.0 4,-0.1 0, 0.0 -4,-0.0 -0.174 32.9 144.8 -47.9 72.5 22.5 2.6 16.5 62 75 A S + 0 0 76 -2,-2.0 3,-0.1 2,-0.1 2,-0.0 0.908 63.7 39.7 -80.4 -47.0 22.2 1.6 20.2 63 76 A G S S- 0 0 55 -3,-0.2 3,-0.1 1,-0.2 4,-0.1 -0.069 113.4 -42.8 -88.2-166.8 26.0 1.6 20.8 64 77 A M S > S- 0 0 156 1,-0.1 3,-1.8 2,-0.1 -1,-0.2 -0.087 73.8 -84.4 -59.8 157.0 28.7 4.0 19.6 65 78 A V T 3 S+ 0 0 82 1,-0.3 -1,-0.1 -3,-0.1 4,-0.1 -0.410 115.0 10.5 -64.7 133.8 28.7 5.2 15.9 66 79 A G T 3 S+ 0 0 27 2,-0.3 3,-0.4 -2,-0.1 -32,-0.3 0.475 95.8 134.2 76.1 1.5 30.4 2.7 13.6 67 80 A F S < S+ 0 0 109 -3,-1.8 -4,-0.1 1,-0.5 -35,-0.1 -0.837 83.8 4.1-130.6 99.9 30.5 0.1 16.4 68 81 A P S S- 0 0 53 0, 0.0 -10,-0.9 0, 0.0 -1,-0.5 0.620 87.5-174.2 -90.9 173.3 29.6 -2.2 15.0 69 82 A S E -CD 31 57A 9 -38,-3.2 -38,-2.0 -3,-0.4 2,-0.5 -0.666 24.9-120.1-106.1 170.4 29.1 -1.5 11.3 70 83 A I E -CD 30 56A 14 -14,-3.2 -14,-2.4 -2,-0.2 2,-0.5 -0.968 17.2-159.4-115.5 129.1 27.7 -3.9 8.8 71 84 A R E -CD 29 55A 45 -42,-3.6 -42,-2.7 -2,-0.5 2,-0.4 -0.928 14.7-175.5-103.4 125.3 29.7 -5.0 5.8 72 85 A E E -CD 28 54A 18 -18,-3.0 -18,-2.4 -2,-0.5 2,-0.4 -0.985 9.2-177.4-127.2 128.5 27.5 -6.4 3.0 73 86 A I E -CD 27 53A 2 -46,-2.4 -46,-3.0 -2,-0.4 2,-0.5 -0.988 7.8-162.9-122.5 129.5 28.7 -8.0 -0.2 74 87 A Q E -CD 26 52A 24 -22,-3.2 -23,-2.4 -2,-0.4 -22,-1.4 -0.964 9.1-169.8-116.8 123.8 26.2 -9.1 -2.9 75 88 A L E -CD 25 50A 0 -50,-2.9 -50,-2.9 -2,-0.5 -25,-0.2 -0.901 9.0-160.0-115.0 139.9 27.5 -11.5 -5.5 76 89 A K E - D 0 49A 65 -27,-2.5 -27,-3.2 -2,-0.4 -52,-0.1 -0.979 30.1-111.0-117.3 132.4 25.8 -12.6 -8.7 77 90 A P E - D 0 48A 7 0, 0.0 -29,-0.3 0, 0.0 3,-0.1 -0.324 25.5-173.7 -60.7 136.8 26.9 -15.8 -10.5 78 91 A L S S+ 0 0 80 -31,-3.5 2,-0.3 1,-0.3 -30,-0.2 0.754 72.9 13.7 -93.7 -36.9 28.6 -15.3 -13.8 79 92 A K S S- 0 0 109 -32,-1.0 -1,-0.3 2,-0.0 2,-0.1 -0.959 78.9-109.0-139.6 151.2 28.8 -19.0 -14.7 80 93 A V S S+ 0 0 87 -2,-0.3 2,-0.3 -3,-0.1 30,-0.2 -0.491 70.5 77.7 -76.2 157.0 27.3 -22.3 -13.4 81 94 A G E S- J 0 109B 36 28,-2.1 28,-3.1 -2,-0.1 2,-0.4 -0.881 81.5 -53.2 137.2-168.2 29.5 -24.7 -11.6 82 95 A T E + J 0 108B 114 -2,-0.3 2,-0.3 26,-0.2 26,-0.2 -0.886 55.3 160.8-113.6 138.7 31.1 -25.2 -8.1 83 96 A T E - J 0 107B 9 24,-2.9 24,-3.0 -2,-0.4 2,-0.4 -0.899 28.1-130.9-149.5 170.7 33.1 -22.5 -6.3 84 97 A T E - J 0 106B 47 -2,-0.3 2,-0.5 22,-0.2 22,-0.2 -0.988 9.2-157.0-132.2 139.6 34.4 -21.4 -2.9 85 98 A I E - J 0 105B 0 20,-2.8 20,-2.7 -2,-0.4 2,-0.4 -0.968 11.5-167.8-116.1 131.5 34.3 -18.0 -1.2 86 99 A K E -IJ 42 104B 117 -44,-2.6 -44,-2.5 -2,-0.5 2,-0.4 -0.969 2.3-170.6-121.5 135.1 36.8 -17.1 1.5 87 100 A L E -IJ 41 103B 6 16,-2.9 16,-2.5 -2,-0.4 2,-0.4 -0.949 0.6-169.5-120.9 144.1 36.7 -14.2 3.8 88 101 A G E -IJ 40 102B 12 -48,-1.9 -48,-2.7 -2,-0.4 2,-0.6 -0.996 13.9-148.7-130.5 138.8 39.4 -12.9 6.2 89 102 A Y E +IJ 39 101B 31 12,-2.7 11,-1.9 -2,-0.4 12,-1.0 -0.931 46.4 126.4-103.9 112.8 39.1 -10.3 9.0 90 103 A S E -I 38 0B 25 -52,-2.4 -52,-1.9 -2,-0.6 -2,-0.1 -0.962 59.0 -92.7-157.1 168.0 42.4 -8.5 9.4 91 104 A R - 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