==== 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 4EP2 . COMPND 2 MOLECULE: PROTEASE, TETHERED DIMER; . SOURCE 2 ORGANISM_SCIENTIFIC: HIV-1 M:B_ARV2/SF2; . AUTHOR C.A.SCHIFFER,S.MITTAL . 205 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9334.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 64.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 35.1 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 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 5.9 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 4 1 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 1 1 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 0 105 0, 0.0 198,-2.4 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 166.3 13.9 13.6 29.4 2 2 A Q E -A 198 0A 120 196,-0.2 2,-0.5 197,-0.1 196,-0.3 -0.980 360.0-160.1-124.0 129.9 17.3 14.3 27.7 3 3 A I E -A 197 0A 36 194,-4.2 194,-3.2 -2,-0.4 2,-0.1 -0.968 11.7-150.4-113.5 117.6 17.8 15.2 24.1 4 4 A T - 0 0 63 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.291 13.5-130.5 -80.0 173.1 21.2 14.7 22.6 5 5 A L + 0 0 2 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.150 69.3 115.6-121.7 22.0 22.6 16.9 19.7 6 6 A W S S+ 0 0 191 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.809 91.8 12.2 -62.9 -35.4 23.8 14.3 17.2 7 7 A K S S- 0 0 167 -3,-0.2 -1,-0.0 1,-0.1 0, 0.0 -0.893 113.8 -58.3-131.7 173.3 21.2 15.6 14.8 8 8 A R - 0 0 72 -2,-0.3 2,-1.9 1,-0.2 119,-0.1 -0.169 53.5-120.8 -51.1 132.0 19.0 18.7 14.8 9 9 A P + 0 0 4 0, 0.0 15,-2.6 0, 0.0 2,-0.3 -0.512 47.4 171.4 -80.0 79.3 16.8 18.7 18.0 10 10 A L E +D 23 0B 87 -2,-1.9 2,-0.3 13,-0.2 13,-0.2 -0.670 5.7 172.8 -92.8 140.1 13.5 18.8 16.2 11 11 A V E -D 22 0B 12 11,-2.5 11,-3.0 -2,-0.3 2,-0.5 -0.946 35.4-105.0-140.6 156.2 10.2 18.3 18.1 12 12 A T E -D 21 0B 64 -2,-0.3 55,-1.0 9,-0.2 2,-0.4 -0.761 35.2-168.6 -81.3 129.3 6.5 18.5 17.3 13 13 A I E -DE 20 66B 2 7,-3.6 7,-2.6 -2,-0.5 2,-0.5 -0.947 9.2-146.8-115.9 144.6 4.8 21.6 18.6 14 14 A R E +DE 19 65B 108 51,-2.7 51,-1.7 -2,-0.4 2,-0.4 -0.942 17.5 174.8-111.1 126.7 1.1 22.2 18.7 15 15 A I E > -D 18 0B 11 3,-3.0 3,-2.0 -2,-0.5 2,-0.1 -0.970 69.7 -47.4-129.6 114.9 -0.6 25.6 18.2 16 16 A G T 3 S- 0 0 53 -2,-0.4 49,-0.0 47,-0.4 22,-0.0 -0.417 122.6 -25.2 56.3-126.3 -4.3 25.5 18.0 17 17 A G T 3 S+ 0 0 80 -2,-0.1 2,-0.5 -3,-0.1 -1,-0.3 0.174 119.4 101.0 -99.4 19.1 -5.2 22.6 15.6 18 18 A Q E < -D 15 0B 90 -3,-2.0 -3,-3.0 2,-0.0 2,-0.4 -0.896 54.2-162.5-116.6 122.4 -1.9 22.9 13.8 19 19 A L E +D 14 0B 105 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.896 14.7 176.8-108.0 138.3 1.0 20.6 14.4 20 20 A K E -D 13 0B 26 -7,-2.6 -7,-3.6 -2,-0.4 2,-0.5 -0.985 32.4-124.2-139.3 143.2 4.5 21.6 13.3 21 21 A E E -D 12 0B 103 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.823 41.9-179.0 -83.1 132.2 8.1 20.3 13.5 22 22 A A E -D 11 0B 0 -11,-3.0 -11,-2.5 -2,-0.5 2,-0.5 -0.972 28.1-114.8-138.4 148.0 10.3 22.9 15.2 23 23 A L E -Df 10 84B 1 60,-3.1 62,-3.3 -2,-0.3 2,-0.8 -0.722 22.2-132.4 -86.4 122.8 13.9 23.3 16.1 24 24 A L E - f 0 85B 0 -15,-2.6 2,-0.5 -2,-0.5 62,-0.1 -0.659 36.5-172.1 -71.6 112.1 14.8 23.6 19.8 25 25 A N > + 0 0 0 60,-2.8 3,-1.9 -2,-0.8 62,-0.4 -0.821 31.7 173.6-128.6 89.5 17.1 26.6 19.5 26 26 A T T 3 S+ 0 0 1 -2,-0.5 -1,-0.1 1,-0.3 98,-0.1 0.685 86.6 65.3 -64.7 -17.9 19.2 27.9 22.5 27 27 A G T 3 S+ 0 0 2 81,-0.1 179,-0.9 -3,-0.1 2,-0.4 0.312 90.4 79.0 -87.9 9.3 20.7 30.3 20.0 28 28 A A B < -k 206 0C 0 -3,-1.9 59,-2.9 177,-0.3 60,-0.2 -0.974 56.9-165.6-116.1 129.7 17.4 32.1 19.5 29 29 A D S S+ 0 0 37 177,-2.0 59,-1.3 -2,-0.4 2,-0.2 0.878 80.4 41.4 -66.0 -40.8 15.9 34.7 22.0 30 30 A D S S- 0 0 35 176,-0.3 2,-0.5 57,-0.2 57,-0.2 -0.671 83.5-114.9-114.5 160.3 12.5 34.5 20.3 31 31 A T - 0 0 1 43,-0.5 45,-3.2 -2,-0.2 2,-0.5 -0.841 34.0-170.5-100.0 127.2 10.2 31.8 18.9 32 32 A V E -gH 76 84B 0 52,-2.1 52,-2.8 -2,-0.5 2,-0.3 -0.966 3.3-173.7-132.6 118.5 9.7 32.0 15.1 33 33 A L E -g 77 0B 1 43,-3.5 45,-2.4 -2,-0.5 3,-0.2 -0.815 18.1-127.2-115.3 152.0 7.3 30.1 13.0 34 34 A E S S- 0 0 80 -2,-0.3 -1,-0.1 1,-0.2 50,-0.0 -0.165 70.4 -6.8 -74.4 175.1 6.6 29.8 9.4 35 35 A E S S+ 0 0 150 45,-0.1 2,-0.3 42,-0.1 -1,-0.2 0.333 79.9 130.1 7.6 90.3 3.2 30.2 7.6 36 36 A M - 0 0 19 -3,-0.2 2,-0.9 2,-0.1 -3,-0.1 -0.898 49.1-142.1-165.0 152.3 0.3 30.7 9.9 37 37 A N - 0 0 146 -2,-0.3 -2,-0.1 40,-0.0 40,-0.0 -0.569 30.0-175.6-109.6 69.4 -2.6 32.9 10.5 38 38 A L - 0 0 20 -2,-0.9 2,-0.1 1,-0.1 -2,-0.1 -0.188 27.3-106.7 -55.0 148.8 -2.9 33.2 14.2 39 39 A P S S+ 0 0 108 0, 0.0 -1,-0.1 0, 0.0 2,-0.1 -0.382 70.0 22.8 -77.4 153.1 -5.9 35.1 15.7 40 40 A G S S- 0 0 61 -2,-0.1 2,-0.0 19,-0.1 -2,-0.0 -0.209 93.4 -19.9 100.7-178.5 -5.7 38.6 17.3 41 41 A K + 0 0 91 -2,-0.1 19,-0.4 19,-0.0 2,-0.3 -0.322 57.0 171.2 -62.6 147.9 -3.6 41.7 17.4 42 42 A W - 0 0 124 17,-0.1 17,-0.2 -2,-0.0 15,-0.0 -0.893 19.4-145.4-141.6 171.4 0.0 41.6 16.2 43 43 A K E -I 58 0B 73 15,-0.9 15,-3.1 -2,-0.3 2,-0.2 -0.986 27.6-106.2-130.4 151.6 2.8 44.2 15.5 44 44 A P E +I 57 0B 84 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.508 42.5 174.0 -68.2 143.5 5.6 44.1 12.8 45 45 A K E -I 56 0B 77 11,-2.2 11,-2.5 -2,-0.2 2,-0.5 -0.961 26.7-132.1-144.4 155.9 9.1 43.4 14.2 46 46 A M E -I 55 0B 114 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.969 21.9-168.4-114.7 126.5 12.5 42.8 12.5 47 47 A I E -I 54 0B 0 7,-2.3 7,-2.7 -2,-0.5 2,-0.3 -0.932 7.6-155.5-119.1 142.0 14.6 39.8 13.6 48 48 A G E +I 53 0B 2 159,-1.0 159,-3.5 -2,-0.4 2,-0.2 -0.815 23.7 132.1-120.6 149.5 18.2 39.3 12.7 49 49 A G E > -I 52 0B 6 3,-2.2 3,-2.2 -2,-0.3 157,-0.1 -0.850 64.1 -21.1-160.9-138.5 20.8 36.5 12.3 50 50 A I T 3 S+ 0 0 6 153,-0.4 3,-0.1 155,-0.4 154,-0.1 0.669 131.7 25.2 -59.7 -37.8 23.5 35.1 10.1 51 51 A G T 3 S- 0 0 26 1,-0.3 -1,-0.3 101,-0.1 2,-0.3 -0.035 122.7 -81.2-117.3 29.2 22.5 36.5 6.7 52 52 A G E < -I 49 0B 31 -3,-2.2 -3,-2.2 100,-0.1 -1,-0.3 -0.725 65.0 -39.5 109.5-158.5 20.7 39.7 7.8 53 53 A F E -I 48 0B 123 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.742 37.1-161.0-110.8 157.5 17.1 40.4 9.0 54 54 A I E -I 47 0B 22 -7,-2.7 -7,-2.3 -2,-0.3 2,-0.4 -0.953 24.5-117.1-130.2 152.6 13.6 39.3 8.1 55 55 A K E +I 46 0B 137 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.786 39.6 171.0 -90.2 134.6 10.3 41.0 8.8 56 56 A V E -I 45 0B 4 -11,-2.5 -11,-2.2 -2,-0.4 2,-0.5 -0.851 33.5-114.2-130.4 167.5 7.9 39.1 11.1 57 57 A R E -IJ 44 77B 62 20,-2.3 20,-2.4 -2,-0.3 2,-0.6 -0.936 27.6-140.8-101.0 132.7 4.6 39.6 12.9 58 58 A Q E -IJ 43 76B 37 -15,-3.1 -15,-0.9 -2,-0.5 2,-0.5 -0.822 17.5-174.5 -95.6 112.1 4.6 39.4 16.7 59 59 A Y E - J 0 75B 5 16,-2.5 16,-2.8 -2,-0.6 3,-0.3 -0.921 12.5-152.6-103.2 131.2 1.7 37.6 18.4 60 60 A D E + 0 0 66 -2,-0.5 14,-0.2 -19,-0.4 13,-0.1 -0.714 66.1 16.8-101.9 154.4 1.7 37.8 22.2 61 61 A Q E S+ 0 0 146 -2,-0.3 -1,-0.2 1,-0.2 13,-0.2 0.872 74.7 160.1 56.5 49.7 0.2 35.3 24.7 62 62 A I E - J 0 73B 19 11,-2.9 11,-2.2 -3,-0.3 2,-0.4 -0.889 35.0-135.3-102.9 122.3 -0.1 32.4 22.3 63 63 A P E - J 0 72B 86 0, 0.0 -47,-0.4 0, 0.0 2,-0.3 -0.674 27.7-179.7 -80.3 135.6 -0.4 29.0 24.0 64 64 A V E - J 0 71B 10 7,-2.3 7,-2.3 -2,-0.4 2,-0.4 -0.835 23.6-138.7-126.3 158.5 1.7 26.2 22.6 65 65 A E E +EJ 14 70B 69 -51,-1.7 -51,-2.7 -2,-0.3 2,-0.4 -0.993 25.0 176.1-120.2 123.4 2.2 22.6 23.4 66 66 A I E > -EJ 13 69B 0 3,-2.7 3,-2.8 -2,-0.4 -53,-0.2 -0.990 68.7 -21.6-129.0 118.0 5.8 21.3 23.3 67 67 A L T 3 S- 0 0 61 -55,-1.0 -1,-0.1 -2,-0.4 3,-0.1 0.884 126.6 -51.7 53.8 44.4 6.9 17.8 24.3 68 68 A G T 3 S+ 0 0 63 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.493 115.8 120.4 67.3 5.3 3.7 17.4 26.4 69 69 A H E < - J 0 66B 68 -3,-2.8 -3,-2.7 0, 0.0 2,-0.5 -0.838 62.0-129.4-103.6 140.6 4.5 20.7 28.2 70 70 A K E + J 0 65B 93 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.735 31.9 173.7 -90.7 123.6 2.2 23.7 28.2 71 71 A A E - 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