==== 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 17-APR-12 4EPJ . COMPND 2 MOLECULE: PROTEASE, TETHERED DIMER; . SOURCE 2 ORGANISM_SCIENTIFIC: HIV-1 M:B_ARV2/SF2; . AUTHOR C.A.SCHIFFER,S.MITTAL . 206 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9234.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 66.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 17 8.3 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 78 37.9 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 . 24 11.7 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 3 1 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 1 3 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 0 111 0, 0.0 198,-1.9 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 149.2 -1.7 8.2 35.5 2 2 A Q E -A 198 0A 126 196,-0.2 2,-0.5 194,-0.0 196,-0.2 -0.953 360.0-162.1-133.7 127.1 1.5 6.5 34.4 3 3 A I E -A 197 0A 37 194,-3.4 194,-2.7 -2,-0.4 2,-0.1 -0.933 13.8-152.9-112.8 121.4 2.1 3.4 32.4 4 4 A T - 0 0 67 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.438 14.0-130.7 -88.9 172.8 5.5 1.8 32.6 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.220 74.5 106.2-118.1 17.9 7.0 -0.3 29.8 6 6 A W S S+ 0 0 186 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.855 93.2 32.7 -64.0 -31.3 8.2 -3.5 31.4 7 7 A K S S- 0 0 67 -3,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.795 110.1 -78.8-113.8 165.7 5.2 -5.2 29.9 8 8 A R - 0 0 119 -2,-0.3 2,-2.2 1,-0.1 119,-0.1 -0.403 47.8-120.0 -56.2 131.2 3.3 -4.5 26.6 9 9 A P + 0 0 5 0, 0.0 15,-2.9 0, 0.0 2,-0.4 -0.513 50.5 166.5 -81.2 74.1 1.1 -1.5 27.2 10 10 A L E +D 23 0B 87 -2,-2.2 2,-0.3 13,-0.2 13,-0.2 -0.765 7.7 175.0 -90.4 136.8 -2.2 -3.3 26.5 11 11 A V E -D 22 0B 16 11,-2.7 11,-2.9 -2,-0.4 2,-0.4 -0.940 33.7-107.3-137.7 156.5 -5.5 -1.7 27.5 12 12 A T E -D 21 0B 66 -2,-0.3 55,-0.9 9,-0.2 2,-0.3 -0.743 38.0-174.0 -81.8 129.6 -9.2 -2.4 27.1 13 13 A I E -DE 20 66B 3 7,-3.5 7,-2.0 -2,-0.4 2,-0.4 -0.807 18.8-137.9-116.8 163.8 -10.9 -0.2 24.6 14 14 A R E +DE 19 65B 38 51,-1.8 51,-2.5 -2,-0.3 2,-0.3 -0.995 31.5 162.0-123.4 127.2 -14.6 0.1 23.7 15 15 A I E > -DE 18 64B 3 3,-2.5 3,-2.4 -2,-0.4 49,-0.1 -0.987 65.0 -3.3-151.8 132.5 -15.5 0.5 20.0 16 16 A G T 3 S- 0 0 55 47,-0.6 3,-0.1 -2,-0.3 48,-0.1 0.742 131.4 -57.2 54.3 26.2 -18.8 -0.0 18.0 17 17 A G T 3 S+ 0 0 73 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.390 117.3 105.6 85.9 0.9 -20.2 -1.1 21.3 18 18 A Q E < -D 15 0B 127 -3,-2.4 -3,-2.5 0, 0.0 2,-0.3 -0.817 65.9-122.3-116.3 149.9 -17.7 -4.0 21.9 19 19 A L E +D 14 0B 133 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.738 35.5 167.4 -87.4 140.8 -14.7 -4.4 24.3 20 20 A K E -D 13 0B 49 -7,-2.0 -7,-3.5 -2,-0.3 2,-0.4 -0.972 34.3-119.4-146.5 156.8 -11.2 -5.2 22.9 21 21 A E E +D 12 0B 102 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.852 37.8 174.8 -96.0 134.8 -7.6 -5.3 24.0 22 22 A A E -D 11 0B 0 -11,-2.9 -11,-2.7 -2,-0.4 2,-0.5 -0.973 29.6-118.1-144.0 153.7 -5.3 -3.0 22.1 23 23 A L E -Df 10 84B 5 60,-3.1 62,-3.1 -2,-0.3 2,-0.7 -0.808 23.0-128.9 -95.6 125.4 -1.6 -1.9 22.3 24 24 A L E - f 0 85B 0 -15,-2.9 2,-0.6 -2,-0.5 62,-0.1 -0.631 37.1-171.4 -71.5 110.5 -0.8 1.8 23.0 25 25 A N > + 0 0 0 60,-2.9 3,-1.8 -2,-0.7 62,-0.3 -0.794 31.4 176.8-126.1 96.5 1.6 2.3 20.2 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.676 86.0 65.4 -65.6 -18.3 3.8 5.5 19.9 27 27 A G T 3 S+ 0 0 2 -3,-0.1 179,-2.6 81,-0.1 2,-0.5 0.373 89.3 78.7 -85.3 1.5 5.3 3.8 16.8 28 28 A A B < -g 206 0B 0 -3,-1.8 59,-3.1 177,-0.3 179,-0.2 -0.951 58.6-163.2-112.0 131.6 2.1 3.9 14.8 29 29 A D S S+ 0 0 31 177,-1.9 59,-1.5 -2,-0.5 2,-0.3 0.855 80.3 34.0 -71.4 -35.2 0.8 7.0 13.1 30 30 A D S S- 0 0 40 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.771 85.4-106.3-122.7 163.6 -2.7 5.4 12.8 31 31 A T E -h 75 0B 1 43,-0.5 45,-2.6 -2,-0.3 2,-0.4 -0.796 35.2-174.9 -94.7 128.2 -5.0 3.1 14.7 32 32 A V E -hI 76 84B 0 52,-1.5 52,-2.9 -2,-0.5 2,-0.3 -0.987 1.1-170.7-131.2 118.3 -5.3 -0.4 13.2 33 33 A L E -h 77 0B 2 43,-3.3 45,-2.5 -2,-0.4 47,-0.2 -0.854 29.7-100.3-111.0 150.2 -7.7 -3.1 14.5 34 34 A E - 0 0 81 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.120 68.5 -57.7 -57.2 158.7 -8.0 -6.8 13.6 35 35 A E S S+ 0 0 116 43,-0.3 2,-0.3 45,-0.2 -1,-0.2 -0.106 81.0 136.3 -47.4 129.2 -10.7 -7.8 11.3 36 36 A M - 0 0 23 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.957 54.0 -95.4-164.8 167.0 -14.1 -6.7 12.6 37 37 A N + 0 0 154 -2,-0.3 -2,-0.0 -21,-0.0 0, 0.0 -0.823 37.4 177.7 -95.5 133.5 -17.4 -5.1 11.5 38 38 A L - 0 0 14 -2,-0.4 2,-0.1 2,-0.1 -2,-0.0 -0.994 30.0-110.9-129.6 145.4 -17.9 -1.4 11.9 39 39 A P S S+ 0 0 97 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.357 70.9 28.3 -72.4 153.8 -20.9 0.6 10.8 40 40 A G S S- 0 0 64 19,-0.1 -2,-0.1 -2,-0.1 2,-0.1 -0.290 93.6 -34.6 101.7-178.4 -20.8 3.1 7.9 41 41 A K - 0 0 93 -2,-0.1 19,-0.4 19,-0.1 2,-0.3 -0.420 54.6-171.8 -77.8 152.7 -19.0 3.8 4.7 42 42 A W - 0 0 130 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.951 14.2-143.5-139.7 161.7 -15.3 2.9 4.3 43 43 A K E -J 58 0B 48 15,-1.7 15,-3.0 -2,-0.3 2,-0.2 -0.965 27.4-111.5-122.5 141.5 -12.6 3.5 1.8 44 44 A P E +J 57 0B 111 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.519 44.3 167.0 -70.1 142.2 -9.8 1.1 0.9 45 45 A K E -J 56 0B 27 11,-2.2 11,-2.5 -2,-0.2 2,-0.4 -0.913 27.4-134.0-145.2 166.2 -6.3 2.2 1.9 46 46 A M E -J 55 0B 123 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.985 21.2-178.9-124.9 141.5 -2.8 0.7 2.2 47 47 A I E -J 54 0B 6 7,-2.2 7,-2.6 -2,-0.4 2,-0.3 -0.948 14.6-135.4-133.7 162.5 -0.4 1.0 5.2 48 48 A G E +JK 53 207B 5 159,-2.0 159,-2.4 -2,-0.3 5,-0.2 -0.811 22.0 164.4-120.1 158.2 3.1 -0.2 5.9 49 49 A G E > -JK 52 206B 5 3,-2.2 3,-0.9 -2,-0.3 157,-0.2 -0.696 59.0 -59.9-148.5-160.1 4.9 -1.8 8.8 50 50 A I T 3 S+ 0 0 5 155,-0.6 3,-0.1 153,-0.5 154,-0.1 0.797 132.1 39.3 -69.4 -30.3 8.1 -3.6 9.6 51 51 A G T 3 S- 0 0 27 1,-0.3 2,-0.3 101,-0.2 -1,-0.3 0.384 122.1 -86.3 -99.7 2.2 7.3 -6.5 7.2 52 52 A G E < -J 49 0B 25 -3,-0.9 -3,-2.2 100,-0.1 -1,-0.3 -0.891 63.7 -30.1 133.0-154.7 5.7 -4.6 4.3 53 53 A F E -J 48 0B 151 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.674 43.7-170.5-105.8 149.2 2.3 -3.2 3.3 54 54 A I E -J 47 0B 18 -7,-2.6 -7,-2.2 -2,-0.3 2,-0.4 -0.956 25.3-116.5-131.9 153.7 -1.2 -4.5 4.0 55 55 A K E +J 46 0B 163 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.781 39.5 175.9 -85.7 135.1 -4.7 -3.5 2.6 56 56 A V E -J 45 0B 7 -11,-2.5 -11,-2.2 -2,-0.4 2,-0.5 -0.860 33.1-116.8-134.7 163.4 -7.1 -2.1 5.2 57 57 A R E -JL 44 77B 39 20,-2.6 20,-2.1 -2,-0.3 2,-0.6 -0.944 30.0-145.4 -99.8 124.8 -10.6 -0.6 5.4 58 58 A Q E -JL 43 76B 60 -15,-3.0 -15,-1.7 -2,-0.5 2,-0.5 -0.845 15.5-173.9 -97.1 119.1 -10.6 3.0 6.6 59 59 A Y E - L 0 75B 7 16,-2.7 16,-2.8 -2,-0.6 3,-0.3 -0.947 15.0-146.8-108.6 127.2 -13.5 4.2 8.7 60 60 A D E + 0 0 97 -2,-0.5 14,-0.2 -19,-0.4 13,-0.1 -0.637 66.8 8.7 -97.2 151.6 -13.6 7.9 9.6 61 61 A Q E S+ 0 0 158 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.867 77.8 166.2 52.7 51.9 -14.8 9.6 12.7 62 62 A I E - L 0 73B 19 11,-2.9 11,-2.0 -3,-0.3 2,-0.2 -0.828 36.0-124.4 -97.9 126.4 -15.4 6.5 14.8 63 63 A P E + L 0 72B 84 0, 0.0 -47,-0.6 0, 0.0 2,-0.3 -0.541 33.3 176.2 -71.1 133.1 -15.9 6.9 18.6 64 64 A V E -EL 15 71B 5 7,-2.7 7,-2.7 -2,-0.2 2,-0.5 -0.988 20.3-148.4-139.2 127.6 -13.4 4.9 20.7 65 65 A E E +EL 14 70B 42 -51,-2.5 -51,-1.8 -2,-0.3 2,-0.4 -0.877 20.2 179.3-101.4 123.6 -13.1 4.9 24.5 66 66 A I E > -EL 13 69B 0 3,-2.9 3,-1.9 -2,-0.5 -53,-0.2 -0.987 68.7 -19.0-130.0 121.1 -9.6 4.3 25.8 67 67 A L T 3 S- 0 0 67 -55,-0.9 -1,-0.1 -2,-0.4 3,-0.1 0.885 129.4 -52.7 49.4 39.1 -8.6 4.2 29.5 68 68 A G T 3 S+ 0 0 78 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.686 115.8 118.6 70.9 18.0 -11.9 6.0 30.1 69 69 A H E < - L 0 66B 72 -3,-1.9 -3,-2.9 2,-0.0 2,-0.5 -0.957 60.4-128.6-118.1 139.4 -11.2 8.8 27.6 70 70 A K E + L 0 65B 86 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.681 27.1 175.7 -90.7 127.6 -13.2 9.5 24.5 71 71 A A E - 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