==== 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 HYDROLASE/HYDROLASE SUBSTRATE 16-APR-12 4EP3 . COMPND 2 MOLECULE: PROTEASE, TETHERED DIMER; . SOURCE 2 ORGANISM_SCIENTIFIC: HIV-1 M:B_ARV2/SF2; . AUTHOR C.A.SCHIFFER,S.MITTAL . 207 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9439.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 134 64.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 7.7 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 77 37.2 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 2.9 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-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 . 22 10.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 2.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 2 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 . 2 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 0 PARALLEL BRIDGES PER LADDER . 3 3 3 0 0 2 2 2 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 1 0 0 0 0 1 1 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 0 110 0, 0.0 198,-1.7 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 146.9 -2.0 8.2 35.4 2 2 A Q E -A 198 0A 127 196,-0.2 2,-0.5 194,-0.0 196,-0.2 -0.958 360.0-159.4-127.8 136.7 1.3 6.6 34.3 3 3 A I E -A 197 0A 37 194,-3.1 194,-2.6 -2,-0.4 2,-0.1 -0.969 12.8-151.8-119.9 116.5 1.9 3.4 32.3 4 4 A T - 0 0 71 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.370 11.1-135.3 -83.8 171.6 5.3 1.8 32.5 5 5 A L S S+ 0 0 0 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.189 73.2 106.0-121.6 13.5 6.8 -0.3 29.7 6 6 A W S S+ 0 0 181 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.782 94.5 31.8 -64.7 -24.9 8.2 -3.4 31.3 7 7 A K S S- 0 0 174 -3,-0.2 0, 0.0 3,-0.0 0, 0.0 -0.826 111.4 -77.5-121.1 165.5 5.2 -5.1 29.8 8 8 A R - 0 0 90 -2,-0.3 2,-2.1 1,-0.1 119,-0.1 -0.432 48.2-118.4 -60.6 133.5 3.2 -4.5 26.6 9 9 A P + 0 0 5 0, 0.0 15,-3.0 0, 0.0 2,-0.4 -0.478 50.0 168.7 -79.9 76.8 0.9 -1.4 27.2 10 10 A L E +D 23 0B 99 -2,-2.1 2,-0.3 13,-0.2 13,-0.2 -0.719 6.7 174.0 -94.1 137.5 -2.3 -3.2 26.6 11 11 A V E -D 22 0B 16 11,-2.7 11,-2.8 -2,-0.4 2,-0.5 -0.940 34.3-108.6-139.2 157.6 -5.7 -1.6 27.5 12 12 A T E -D 21 0B 91 -2,-0.3 55,-0.9 9,-0.2 2,-0.3 -0.777 36.7-170.9 -86.3 131.3 -9.3 -2.4 27.1 13 13 A I E -DE 20 66B 2 7,-3.5 7,-2.4 -2,-0.5 2,-0.5 -0.839 16.9-139.9-115.4 156.7 -11.1 -0.2 24.5 14 14 A R E +DE 19 65B 32 51,-1.9 51,-2.5 -2,-0.3 2,-0.3 -0.991 31.3 163.8-115.7 127.6 -14.8 0.1 23.8 15 15 A I E > -DE 18 64B 2 3,-2.8 3,-2.7 -2,-0.5 49,-0.1 -0.986 63.9 -6.8-149.6 132.1 -15.7 0.4 20.1 16 16 A G T 3 S- 0 0 58 47,-0.7 3,-0.1 -2,-0.3 48,-0.1 0.731 131.0 -55.1 57.2 24.4 -19.0 -0.0 18.1 17 17 A G T 3 S+ 0 0 72 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.357 118.4 107.6 87.6 -1.5 -20.4 -1.2 21.4 18 18 A Q E < -D 15 0B 122 -3,-2.7 -3,-2.8 2,-0.0 2,-0.4 -0.815 64.6-127.1-114.3 148.5 -17.8 -4.0 22.0 19 19 A L E +D 14 0B 132 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.747 33.8 168.6 -91.3 139.2 -14.8 -4.4 24.3 20 20 A K E -D 13 0B 53 -7,-2.4 -7,-3.5 -2,-0.4 2,-0.4 -0.979 33.9-120.6-144.1 154.7 -11.4 -5.2 22.9 21 21 A E E +D 12 0B 61 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.823 38.2 174.8 -92.0 134.7 -7.8 -5.3 24.0 22 22 A A E -D 11 0B 1 -11,-2.8 -11,-2.7 -2,-0.4 2,-0.5 -0.981 29.4-118.2-143.3 155.1 -5.4 -3.0 22.1 23 23 A L E -Df 10 84B 4 60,-3.1 62,-3.0 -2,-0.3 2,-0.7 -0.800 22.8-128.4 -97.3 125.6 -1.8 -1.9 22.3 24 24 A L E - f 0 85B 0 -15,-3.0 2,-0.6 -2,-0.5 62,-0.2 -0.621 36.7-172.9 -73.4 111.7 -0.9 1.7 22.9 25 25 A N > + 0 0 0 60,-2.8 3,-1.6 -2,-0.7 62,-0.3 -0.829 30.1 176.6-125.3 92.8 1.5 2.2 20.1 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.621 85.2 66.5 -65.0 -17.4 3.6 5.5 19.7 27 27 A G T 3 S+ 0 0 2 81,-0.1 180,-2.3 96,-0.1 2,-0.4 0.375 89.1 78.6 -81.7 -0.4 5.2 3.8 16.7 28 28 A A B < -g 207 0B 0 -3,-1.6 59,-3.0 178,-0.3 180,-0.2 -0.941 58.4-162.4-112.8 130.3 2.0 3.8 14.6 29 29 A D S S+ 0 0 28 178,-2.0 59,-1.5 -2,-0.4 2,-0.2 0.876 80.7 39.7 -68.1 -36.9 0.6 6.8 12.8 30 30 A D S S- 0 0 26 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.693 82.6-112.3-119.2 161.6 -2.8 5.1 12.6 31 31 A T - 0 0 2 43,-0.5 45,-2.6 -2,-0.2 2,-0.4 -0.841 35.8-175.7 -96.3 126.7 -5.2 2.9 14.7 32 32 A V E -hI 76 84B 0 52,-1.7 52,-3.3 -2,-0.5 2,-0.4 -0.990 4.2-171.4-133.9 121.9 -5.5 -0.6 13.3 33 33 A L E -h 77 0B 1 43,-2.9 45,-2.4 -2,-0.4 47,-0.2 -0.857 30.3-101.7-114.4 147.5 -7.8 -3.3 14.6 34 34 A E - 0 0 83 -2,-0.4 -1,-0.1 43,-0.2 49,-0.0 -0.161 69.6 -53.2 -57.7 157.9 -8.0 -7.0 13.6 35 35 A E S S+ 0 0 119 43,-0.3 2,-0.3 45,-0.1 -1,-0.2 -0.024 82.2 137.4 -39.5 124.2 -10.8 -8.1 11.3 36 36 A M - 0 0 23 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.964 53.8 -95.3-161.6 166.0 -14.2 -6.9 12.7 37 37 A N + 0 0 150 -2,-0.3 -2,-0.0 -21,-0.0 0, 0.0 -0.789 37.9 176.4 -92.5 130.9 -17.5 -5.4 11.5 38 38 A L - 0 0 16 -2,-0.4 2,-0.1 2,-0.1 -2,-0.0 -0.990 27.7-116.9-128.7 145.8 -17.9 -1.6 11.8 39 39 A P + 0 0 99 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.346 68.5 30.0 -76.9 159.6 -20.9 0.4 10.6 40 40 A G S S- 0 0 64 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.227 95.7 -32.8 94.0-177.9 -20.9 3.0 7.8 41 41 A K - 0 0 94 -2,-0.1 19,-0.5 19,-0.1 2,-0.3 -0.362 55.6-176.6 -74.6 154.0 -19.0 3.6 4.7 42 42 A W - 0 0 130 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.965 15.0-143.8-146.4 163.0 -15.3 2.7 4.3 43 43 A K E -J 58 0B 49 15,-1.6 15,-3.1 -2,-0.3 2,-0.2 -0.965 27.2-109.3-127.5 143.9 -12.5 3.0 1.7 44 44 A P E +J 57 0B 107 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.541 45.6 167.7 -72.9 138.7 -9.7 0.6 0.8 45 45 A K E -J 56 0B 20 11,-2.4 11,-2.7 -2,-0.2 2,-0.4 -0.916 27.9-130.7-141.8 163.9 -6.3 1.8 1.9 46 46 A M E -J 55 0B 109 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.981 20.9-175.8-121.4 138.5 -2.8 0.4 2.3 47 47 A I E -J 54 0B 0 7,-2.3 7,-2.7 -2,-0.4 2,-0.3 -0.932 9.7-146.2-128.1 160.7 -0.5 0.6 5.3 48 48 A G E +JK 53 208B 8 160,-3.0 160,-1.9 -2,-0.3 2,-0.2 -0.862 23.7 146.4-129.4 153.5 3.0 -0.5 6.0 49 49 A G E > -JK 52 207B 11 3,-1.9 3,-1.2 -2,-0.3 2,-0.3 -0.759 62.4 -38.2-151.5-156.1 5.2 -1.7 8.7 50 50 A I T 3 S+ 0 0 0 156,-0.5 101,-1.8 154,-0.5 102,-0.4 -0.619 130.2 31.8 -71.7 140.6 8.1 -4.0 9.2 51 51 A G T 3 S- 0 0 31 -2,-0.3 2,-0.3 100,-0.2 -1,-0.2 0.138 122.8 -86.0 94.8 -21.8 7.6 -6.9 6.9 52 52 A G E < -J 49 0B 26 -3,-1.2 -3,-1.9 100,-0.2 99,-0.3 -0.826 62.8 -26.9 128.3-157.9 5.8 -4.9 4.3 53 53 A F E -J 48 0B 142 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.674 42.8-169.6-103.0 151.9 2.3 -3.5 3.3 54 54 A I E -J 47 0B 22 -7,-2.7 -7,-2.3 -2,-0.3 2,-0.4 -0.961 24.7-115.0-134.6 154.2 -1.2 -4.8 4.0 55 55 A K E +J 46 0B 166 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.717 39.3 173.5 -88.6 136.9 -4.6 -3.9 2.7 56 56 A V E -J 45 0B 7 -11,-2.7 -11,-2.4 -2,-0.4 2,-0.5 -0.909 33.6-116.5-136.6 163.8 -7.1 -2.4 5.2 57 57 A R E -JL 44 77B 40 20,-2.5 20,-2.3 -2,-0.3 2,-0.6 -0.938 28.7-145.6-100.1 124.1 -10.6 -0.8 5.4 58 58 A Q E -JL 43 76B 46 -15,-3.1 -15,-1.6 -2,-0.5 2,-0.5 -0.850 15.7-174.8 -95.2 117.1 -10.6 2.8 6.5 59 59 A Y E - L 0 75B 7 16,-2.8 16,-2.7 -2,-0.6 3,-0.3 -0.930 14.9-147.8-107.1 129.2 -13.6 3.9 8.6 60 60 A D E + 0 0 91 -2,-0.5 14,-0.2 -19,-0.5 13,-0.1 -0.643 66.4 11.6-100.4 155.4 -13.8 7.6 9.5 61 61 A Q E S+ 0 0 149 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.870 77.6 164.7 51.8 46.2 -15.1 9.4 12.6 62 62 A I E - L 0 73B 20 11,-2.9 11,-2.4 -3,-0.3 2,-0.3 -0.840 36.8-125.7 -91.3 128.2 -15.5 6.3 14.6 63 63 A P E + L 0 72B 83 0, 0.0 -47,-0.7 0, 0.0 2,-0.4 -0.609 32.3 178.0 -72.0 131.5 -16.0 6.8 18.4 64 64 A V E -EL 15 71B 4 7,-2.7 7,-2.6 -2,-0.3 2,-0.5 -0.995 18.7-150.6-135.6 124.4 -13.5 4.8 20.6 65 65 A E E +EL 14 70B 109 -51,-2.5 -51,-1.9 -2,-0.4 2,-0.4 -0.882 20.4 177.4 -97.9 127.0 -13.3 4.9 24.4 66 66 A I E > -EL 13 69B 0 3,-2.9 3,-1.7 -2,-0.5 -53,-0.2 -0.993 67.4 -18.1-134.7 120.2 -9.7 4.3 25.7 67 67 A L T 3 S- 0 0 63 -55,-0.9 -1,-0.1 -2,-0.4 3,-0.1 0.864 129.1 -51.5 51.3 39.1 -8.8 4.4 29.5 68 68 A G T 3 S+ 0 0 62 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.683 116.8 116.2 70.9 18.2 -12.1 6.3 30.2 69 69 A H E < - L 0 66B 72 -3,-1.7 -3,-2.9 2,-0.0 2,-0.4 -0.982 60.6-133.1-121.9 132.8 -11.3 8.9 27.4 70 70 A K E + L 0 65B 85 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.667 25.0 176.8 -86.8 125.8 -13.4 9.5 24.3 71 71 A A E - 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