==== 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 3M86 . COMPND 2 MOLECULE: AMOEBIASIN-2; . SOURCE 2 ORGANISM_SCIENTIFIC: ENTAMOEBA HISTOLYTICA; . AUTHOR S.LARA-GONZALEZ,L.E.CASADOS-VAZQUEZ,L.G.BRIEBA . 215 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12699.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 147 68.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 20 9.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 68 31.6 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 . 0 0.0 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 . 28 13.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 17 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 2 1 1 1 3 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 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 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 0 126 0, 0.0 2,-0.1 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 160.5 -47.0 22.7 8.5 2 -3 A P - 0 0 98 0, 0.0 3,-0.1 0, 0.0 0, 0.0 -0.393 360.0-102.7 -92.2 173.1 -47.0 18.9 8.2 3 -2 A H S S- 0 0 162 1,-0.3 2,-0.3 -2,-0.1 20,-0.1 0.945 100.0 -34.1 -53.6 -47.0 -46.0 16.2 10.6 4 -1 A M - 0 0 64 18,-0.0 2,-0.4 2,-0.0 -1,-0.3 -0.957 61.0-134.2-168.3 161.4 -42.8 16.0 8.6 5 17 A A - 0 0 30 -2,-0.3 20,-2.2 -3,-0.1 2,-0.5 -0.971 6.5-144.9-130.0 147.4 -41.6 16.4 5.0 6 18 A I E -a 25 0A 86 -2,-0.4 2,-0.5 18,-0.2 20,-0.2 -0.963 18.1-154.8-109.7 124.5 -39.3 14.3 2.9 7 19 A H E -a 26 0A 40 18,-2.9 20,-3.0 -2,-0.5 2,-0.5 -0.899 3.9-149.7-107.7 125.2 -37.2 16.3 0.5 8 20 A I E -a 27 0A 95 -2,-0.5 2,-0.4 18,-0.2 20,-0.2 -0.786 12.6-171.6 -98.5 127.9 -35.9 14.7 -2.6 9 21 A L E +a 28 0A 6 18,-2.6 20,-3.0 -2,-0.5 2,-0.2 -0.966 8.7 171.0-118.9 135.9 -32.6 15.9 -4.1 10 22 A T > - 0 0 33 -2,-0.4 3,-1.7 18,-0.2 20,-0.2 -0.673 54.2 -80.9-127.0-174.9 -31.3 14.8 -7.5 11 23 A E G > S+ 0 0 58 18,-0.4 3,-1.3 1,-0.3 19,-0.1 0.819 124.8 65.0 -56.0 -30.7 -28.4 15.7 -9.9 12 24 A K G 3 S+ 0 0 184 1,-0.3 -1,-0.3 3,-0.0 -3,-0.0 0.684 92.3 61.3 -70.9 -17.8 -30.6 18.6 -11.0 13 25 A E G X S+ 0 0 68 -3,-1.7 3,-2.5 3,-0.1 -1,-0.3 0.167 70.3 149.9 -96.5 16.3 -30.5 20.3 -7.6 14 26 A D T < S+ 0 0 55 -3,-1.3 92,-0.2 1,-0.3 90,-0.1 -0.254 73.3 12.5 -48.0 132.1 -26.7 20.8 -7.6 15 27 A H T 3 S+ 0 0 138 90,-3.1 -1,-0.3 1,-0.2 91,-0.2 0.499 95.3 145.8 73.4 7.6 -25.9 23.9 -5.6 16 28 A A < - 0 0 31 -3,-2.5 91,-2.5 89,-0.4 2,-0.5 -0.340 44.1-139.2 -69.2 153.3 -29.4 24.2 -4.1 17 29 A T E -d 107 0B 86 89,-0.2 2,-0.5 91,-0.0 91,-0.2 -0.989 19.8-165.3-112.9 126.4 -30.1 25.4 -0.6 18 30 A L E -d 108 0B 35 89,-3.1 91,-3.0 -2,-0.5 2,-0.6 -0.933 10.4-157.6-113.8 129.5 -32.7 23.5 1.3 19 31 A H E +d 109 0B 132 -2,-0.5 2,-0.3 89,-0.2 91,-0.2 -0.942 26.4 169.0-104.8 119.3 -34.4 24.6 4.4 20 32 A I E -d 110 0B 4 89,-2.9 91,-2.7 -2,-0.6 2,-0.2 -0.815 31.4-111.3-126.1 164.5 -35.9 21.7 6.4 21 33 A S > - 0 0 61 -2,-0.3 3,-2.1 89,-0.2 -16,-0.1 -0.582 35.7-103.9 -93.5 161.7 -37.4 21.1 9.8 22 34 A F T 3 S+ 0 0 103 89,-1.0 -1,-0.1 1,-0.3 -18,-0.0 0.816 120.8 44.7 -52.8 -36.8 -35.7 19.0 12.6 23 35 A N T 3 S+ 0 0 81 -20,-0.1 -1,-0.3 54,-0.1 2,-0.0 0.264 94.1 106.7 -98.2 15.1 -38.0 16.0 12.0 24 36 A D < - 0 0 7 -3,-2.1 2,-0.3 -20,-0.1 -18,-0.2 -0.241 59.4-135.4 -81.8 174.2 -37.8 16.1 8.2 25 37 A L E -a 6 0A 27 -20,-2.2 -18,-2.9 52,-0.1 2,-0.5 -0.982 2.7-145.5-130.8 146.1 -35.8 13.6 6.0 26 38 A I E -aB 7 76A 0 50,-2.5 50,-2.6 -2,-0.3 2,-0.5 -0.942 11.9-169.1-107.7 131.3 -33.5 14.2 3.0 27 39 A K E -aB 8 75A 49 -20,-3.0 -18,-2.6 -2,-0.5 2,-0.6 -0.950 4.0-163.5-121.6 109.6 -33.6 11.6 0.2 28 40 A I E -aB 9 74A 0 46,-2.9 46,-2.5 -2,-0.5 2,-0.5 -0.835 9.9-172.7 -92.5 120.0 -30.8 12.0 -2.4 29 41 A Q E + B 0 73A 48 -20,-3.0 -18,-0.4 -2,-0.6 2,-0.3 -0.962 12.4 164.3-123.5 111.7 -31.8 10.0 -5.5 30 42 A L E - B 0 72A 0 42,-2.7 42,-3.3 -2,-0.5 2,-0.3 -0.900 35.8-117.0-128.5 152.1 -29.1 9.7 -8.1 31 43 A R E + B 0 71A 103 -2,-0.3 2,-0.3 40,-0.2 40,-0.2 -0.658 37.9 174.2 -87.7 151.1 -28.5 7.5 -11.2 32 44 A T E - B 0 70A 7 38,-2.4 38,-3.2 -2,-0.3 7,-0.1 -0.972 30.5-144.3-153.3 156.9 -25.4 5.3 -11.2 33 45 A N > > + 0 0 34 -2,-0.3 3,-1.9 36,-0.2 5,-0.7 -0.740 15.7 179.0-130.9 85.7 -23.8 2.6 -13.3 34 46 A P G > 5S+ 0 0 59 0, 0.0 3,-1.8 0, 0.0 -1,-0.1 0.722 74.0 74.7 -61.4 -24.3 -22.1 0.0 -11.0 35 47 A S G 3 5S+ 0 0 106 1,-0.3 33,-0.0 2,-0.1 -2,-0.0 0.629 94.7 54.2 -64.9 -11.8 -20.9 -2.1 -13.9 36 48 A T G < 5S- 0 0 41 -3,-1.9 -1,-0.3 2,-0.2 3,-0.1 0.461 114.5-112.9 -99.5 -6.8 -18.3 0.6 -14.6 37 49 A G T < 5S+ 0 0 38 -3,-1.8 2,-0.2 1,-0.3 -2,-0.1 0.382 76.4 127.3 87.2 -6.4 -16.8 0.6 -11.1 38 50 A Y < + 0 0 34 -5,-0.7 -1,-0.3 54,-0.2 2,-0.3 -0.531 30.3 170.2 -80.6 151.2 -18.0 4.1 -10.4 39 51 A A E -E 91 0B 45 52,-2.2 52,-2.3 -2,-0.2 2,-0.3 -0.980 36.6-104.6-153.5 155.9 -20.0 5.0 -7.3 40 52 A W E -E 90 0B 13 -2,-0.3 2,-0.4 50,-0.2 50,-0.2 -0.659 30.9-159.5 -80.0 134.9 -21.3 8.1 -5.5 41 53 A N E -E 89 0B 115 48,-2.7 48,-2.1 -2,-0.3 2,-0.4 -0.972 8.5-151.3-114.2 133.2 -19.3 9.0 -2.4 42 54 A I E -E 88 0B 30 -2,-0.4 2,-0.5 46,-0.2 46,-0.2 -0.868 11.2-168.2-110.7 138.5 -21.0 11.2 0.1 43 55 A E E +E 87 0B 53 44,-2.9 44,-2.5 -2,-0.4 -2,-0.0 -0.991 25.4 147.1-120.0 122.8 -19.5 13.7 2.6 44 56 A Y - 0 0 34 -2,-0.5 2,-0.7 42,-0.2 42,-0.1 -0.972 56.4 -86.5-149.1 160.6 -21.7 15.1 5.3 45 57 A P >> - 0 0 31 0, 0.0 4,-2.0 0, 0.0 3,-1.2 -0.623 33.0-162.1 -72.8 113.4 -21.4 16.2 8.9 46 58 A T T 34 S+ 0 0 21 -2,-0.7 5,-0.1 1,-0.3 159,-0.0 0.626 88.9 60.4 -75.1 -13.7 -21.9 13.1 11.0 47 59 A D T 34 S+ 0 0 87 1,-0.1 -1,-0.3 157,-0.0 3,-0.1 0.694 114.4 36.3 -79.4 -16.5 -22.6 15.1 14.1 48 60 A T T <4 S+ 0 0 15 -3,-1.2 31,-3.7 1,-0.2 32,-1.4 0.735 118.6 38.6-110.4 -29.2 -25.6 16.7 12.3 49 61 A F E < -C 78 0A 1 -4,-2.0 2,-0.4 29,-0.3 -1,-0.2 -0.956 59.8-151.6-123.3 145.2 -27.1 13.9 10.1 50 62 A S E -C 77 0A 36 27,-2.8 27,-2.6 -2,-0.4 2,-0.9 -0.889 27.6-119.3-104.4 146.7 -27.6 10.2 10.6 51 63 A L E +C 76 0A 44 -2,-0.4 25,-0.2 25,-0.2 3,-0.1 -0.763 34.2 176.6 -82.4 107.5 -27.7 7.8 7.7 52 64 A S E - 0 0 56 23,-2.2 2,-0.3 -2,-0.9 -1,-0.2 0.843 65.3 -7.9 -84.7 -34.5 -31.2 6.4 7.9 53 65 A Q E -C 75 0A 91 22,-1.3 22,-3.4 -3,-0.1 2,-0.4 -0.967 52.8-168.4-161.9 142.0 -31.0 4.3 4.7 54 66 A D E +C 74 0A 57 -2,-0.3 2,-0.3 20,-0.2 20,-0.2 -0.987 22.0 170.7-135.2 126.2 -28.6 3.7 1.8 55 67 A T E -C 73 0A 43 18,-2.5 18,-2.9 -2,-0.4 2,-0.4 -0.981 25.6-164.5-136.6 144.6 -29.8 1.7 -1.2 56 68 A I E -C 72 0A 95 -2,-0.3 2,-0.4 16,-0.2 16,-0.2 -1.000 23.0-179.2-124.4 131.8 -28.7 0.8 -4.7 57 69 A K E -C 71 0A 127 14,-2.4 14,-2.9 -2,-0.4 2,-0.3 -0.987 30.1-118.9-134.0 138.2 -31.4 -0.6 -6.9 58 70 A A E -C 70 0A 70 -2,-0.4 12,-0.2 12,-0.2 10,-0.1 -0.598 35.2-131.2 -73.7 133.4 -31.4 -1.8 -10.5 59 71 A E - 0 0 51 10,-1.7 8,-0.8 8,-0.3 9,-0.1 -0.709 2.6-137.5 -93.0 143.4 -33.9 0.2 -12.5 60 72 A P + 0 0 82 0, 0.0 8,-0.2 0, 0.0 5,-0.1 0.922 60.6 82.0 -61.0 -55.7 -36.5 -1.4 -14.8 61 73 A H + 0 0 49 5,-0.2 2,-0.1 6,-0.1 6,-0.1 -0.666 47.1 46.5-130.5 180.0 -36.3 0.8 -18.0 62 74 A P S >> S- 0 0 81 0, 0.0 3,-1.5 0, 0.0 2,-0.7 0.410 71.1-143.5 -70.1 130.6 -35.6 2.2 -20.6 63 75 A S T 34 S+ 0 0 76 1,-0.4 -2,-0.1 2,-0.2 0, 0.0 -0.808 77.6 112.6-110.2 90.2 -35.4 -1.3 -22.1 64 76 A G T 34 S- 0 0 73 -2,-0.7 -1,-0.4 4,-0.1 -3,-0.1 0.084 108.8 -14.7 83.5-111.0 -33.3 -0.5 -23.7 65 77 A M T <4 S- 0 0 136 -3,-1.5 -2,-0.2 3,-0.3 -4,-0.1 0.363 80.7-138.1-143.2 -6.7 -31.3 -2.8 -21.5 66 78 A V S < S+ 0 0 65 -4,-0.5 -5,-0.2 2,-0.2 -3,-0.1 0.917 90.4 46.8 42.7 81.2 -33.6 -3.4 -18.5 67 79 A G S S+ 0 0 36 -8,-0.8 -8,-0.3 1,-0.4 -1,-0.2 0.166 89.2 121.5 143.7 -12.6 -31.3 -3.3 -15.6 68 80 A F + 0 0 87 -6,-0.2 -1,-0.4 -8,-0.2 -3,-0.3 -0.985 55.5 26.9-132.2 140.2 -29.3 -0.1 -16.4 69 81 A P S S- 0 0 31 0, 0.0 -10,-1.7 0, 0.0 2,-0.3 0.619 76.6-146.5 -80.2-169.0 -28.9 2.4 -15.0 70 82 A S E -BC 32 58A 13 -38,-3.2 -38,-2.4 -12,-0.2 2,-0.5 -0.709 9.6-124.9-111.4 169.0 -29.2 1.9 -11.3 71 83 A I E -BC 31 57A 27 -14,-2.9 -14,-2.4 -2,-0.3 2,-0.5 -0.971 13.1-159.4-118.0 128.8 -30.5 4.2 -8.7 72 84 A R E -BC 30 56A 39 -42,-3.3 -42,-2.7 -2,-0.5 2,-0.5 -0.914 12.6-174.7-101.9 128.1 -28.6 5.3 -5.6 73 85 A E E -BC 29 55A 29 -18,-2.9 -18,-2.5 -2,-0.5 2,-0.5 -0.978 6.0-176.8-130.0 121.9 -30.7 6.5 -2.8 74 86 A I E -BC 28 54A 0 -46,-2.5 -46,-2.9 -2,-0.5 2,-0.5 -0.973 8.7-161.4-118.6 122.0 -29.2 8.0 0.4 75 87 A Q E -BC 27 53A 19 -22,-3.4 -23,-2.2 -2,-0.5 -22,-1.3 -0.915 6.6-169.4-108.5 129.8 -31.6 9.0 3.2 76 88 A L E -BC 26 51A 0 -50,-2.6 -50,-2.5 -2,-0.5 -25,-0.2 -0.950 6.0-163.0-121.0 135.2 -30.4 11.4 5.9 77 89 A K E - C 0 50A 109 -27,-2.6 -27,-2.8 -2,-0.4 -52,-0.1 -0.955 29.5-111.2-116.5 130.1 -32.2 12.3 9.1 78 90 A P E - C 0 49A 7 0, 0.0 -29,-0.3 0, 0.0 3,-0.1 -0.310 27.6-178.2 -58.5 135.8 -31.2 15.4 11.1 79 91 A L S S+ 0 0 87 -31,-3.7 2,-0.3 1,-0.3 -30,-0.2 0.671 73.9 11.3 -96.2 -29.9 -29.5 14.7 14.5 80 92 A K S S- 0 0 112 -32,-1.4 -1,-0.3 2,-0.0 2,-0.1 -0.956 80.5-104.6-143.4 157.9 -29.2 18.3 15.4 81 93 A V + 0 0 80 -2,-0.3 2,-0.3 -3,-0.1 30,-0.2 -0.499 69.6 89.3 -78.0 158.9 -30.4 21.7 14.2 82 94 A G E S- F 0 110B 33 28,-2.2 28,-3.3 -2,-0.1 2,-0.4 -0.939 75.2 -62.6 147.9-169.4 -27.9 23.8 12.3 83 95 A T E + F 0 109B 113 -2,-0.3 2,-0.3 26,-0.2 26,-0.2 -0.969 50.8 175.5-122.2 135.0 -26.4 24.5 8.9 84 96 A T E - F 0 108B 7 24,-2.7 24,-2.1 -2,-0.4 2,-0.4 -0.837 26.4-142.0-133.7 162.3 -24.7 21.9 6.8 85 97 A T E - F 0 107B 69 -2,-0.3 2,-0.5 22,-0.2 22,-0.2 -0.999 14.5-162.7-124.8 135.0 -23.1 21.2 3.4 86 98 A I E - F 0 106B 0 20,-2.9 20,-2.8 -2,-0.4 2,-0.4 -0.970 9.4-170.3-114.8 128.6 -23.5 17.8 1.7 87 99 A K E -EF 43 105B 124 -44,-2.5 -44,-2.9 -2,-0.5 2,-0.4 -0.973 3.8-171.3-121.8 137.0 -21.0 16.9 -1.0 88 100 A L E -EF 42 104B 6 16,-2.8 16,-2.7 -2,-0.4 2,-0.4 -0.966 0.8-170.7-123.0 143.6 -21.2 14.0 -3.4 89 101 A G E -EF 41 103B 11 -48,-2.1 -48,-2.7 -2,-0.4 2,-0.8 -0.998 17.3-143.9-131.1 138.1 -18.6 12.8 -5.9 90 102 A Y E +EF 40 102B 31 12,-2.6 11,-2.2 -2,-0.4 12,-0.7 -0.894 49.5 131.5 -99.9 110.2 -19.0 10.1 -8.6 91 103 A S E -E 39 0B 36 -52,-2.3 -52,-2.2 -2,-0.8 -2,-0.1 -0.900 60.6 -93.5-149.8 173.4 -15.7 8.3 -8.8 92 104 A R > - 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