==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=10-MAY-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE PRODUCT 15-MAY-12 4F73 . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HIV-1 M:B_ARV2/SF2; . AUTHOR C.A.SCHIFFER,S.MITTAL,M.N.L.NALAM . 204 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9315.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 66.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 6.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 74 36.3 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 11.8 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 . 1 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 2 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 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 78 0, 0.0 198,-2.2 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 166.9 28.0 6.8 -3.7 2 2 A Q E -A 198 0A 130 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.948 360.0-162.8-105.7 128.3 24.2 6.2 -3.5 3 3 A I E -A 197 0A 30 194,-3.1 194,-2.6 -2,-0.5 2,-0.1 -0.966 2.5-155.3-118.4 120.3 23.3 3.0 -1.6 4 4 A T - 0 0 75 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.390 16.2-130.3 -85.9 175.3 19.9 1.4 -1.8 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.171 74.3 106.6-123.6 19.8 18.5 -0.8 0.9 6 6 A W S S+ 0 0 185 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.779 94.6 32.2 -67.1 -25.2 17.3 -4.0 -0.7 7 7 A K S S- 0 0 67 -3,-0.2 0, 0.0 3,-0.0 0, 0.0 -0.853 111.5 -80.5-123.9 157.1 20.3 -5.6 0.9 8 8 A R - 0 0 122 -2,-0.3 2,-2.2 1,-0.1 119,-0.1 -0.410 47.2-116.5 -52.0 132.9 22.1 -4.7 4.2 9 9 A P + 0 0 6 0, 0.0 15,-2.6 0, 0.0 2,-0.3 -0.415 51.7 167.0 -75.6 68.5 24.4 -1.6 3.6 10 10 A L E +D 23 0B 89 -2,-2.2 2,-0.3 13,-0.2 13,-0.2 -0.656 6.5 173.6 -84.7 133.9 27.6 -3.5 4.3 11 11 A V E -D 22 0B 14 11,-2.9 11,-2.6 -2,-0.3 2,-0.4 -0.921 33.8-104.1-135.5 163.3 30.9 -1.7 3.3 12 12 A T E -D 21 0B 60 -2,-0.3 55,-1.9 9,-0.2 2,-0.3 -0.753 37.9-176.0 -87.8 133.6 34.6 -2.3 3.7 13 13 A I E -DE 20 66B 2 7,-3.1 7,-2.1 -2,-0.4 2,-0.4 -0.866 19.1-140.4-120.1 158.8 36.4 -0.1 6.3 14 14 A R E +DE 19 65B 120 51,-2.0 51,-2.5 -2,-0.3 2,-0.3 -0.993 30.6 160.4-115.4 132.0 40.1 0.2 7.3 15 15 A I E > -DE 18 64B 3 3,-2.5 3,-2.6 -2,-0.4 49,-0.1 -0.978 67.7 -0.4-153.3 135.8 40.9 0.6 10.9 16 16 A G T 3 S- 0 0 51 47,-0.6 3,-0.1 -2,-0.3 48,-0.1 0.774 130.6 -61.2 53.3 29.2 44.1 0.1 12.8 17 17 A G T 3 S+ 0 0 49 1,-0.2 2,-0.3 0, 0.0 -1,-0.3 0.540 115.6 109.8 73.7 12.3 45.5 -0.9 9.4 18 18 A Q E < -D 15 0B 126 -3,-2.6 -3,-2.5 2,-0.0 2,-0.4 -0.871 65.6-125.2-117.9 148.9 43.1 -3.8 9.0 19 19 A L E +D 14 0B 106 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.741 35.4 166.6 -90.6 139.3 40.1 -4.3 6.6 20 20 A K E -D 13 0B 51 -7,-2.1 -7,-3.1 -2,-0.4 2,-0.4 -0.961 34.3-118.1-143.8 157.9 36.8 -5.2 8.1 21 21 A E E +D 12 0B 101 -2,-0.3 62,-0.3 -9,-0.2 2,-0.3 -0.843 37.2 177.2 -97.2 139.3 33.2 -5.2 6.9 22 22 A A E -D 11 0B 0 -11,-2.6 -11,-2.9 -2,-0.4 2,-0.5 -0.980 28.4-119.3-143.6 155.4 30.7 -3.0 8.6 23 23 A L E -Df 10 84B 8 60,-3.2 62,-3.2 -2,-0.3 2,-0.8 -0.814 23.2-129.6 -98.0 125.5 27.0 -2.0 8.4 24 24 A L E - f 0 85B 0 -15,-2.6 2,-0.6 -2,-0.5 62,-0.2 -0.671 35.9-173.1 -73.3 110.2 26.1 1.7 7.7 25 25 A D > + 0 0 2 60,-3.0 3,-1.7 -2,-0.8 62,-0.3 -0.853 27.3 178.9-124.1 95.8 23.6 2.2 10.5 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.639 85.3 64.5 -67.0 -15.7 21.6 5.4 10.8 27 27 A G T 3 S+ 0 0 2 177,-0.1 177,-2.0 81,-0.1 2,-0.5 0.404 88.4 84.3 -84.7 -4.3 19.8 4.0 13.9 28 28 A A B < -L 203 0C 0 -3,-1.7 59,-3.1 175,-0.3 175,-0.2 -0.905 57.1-165.0-104.4 128.3 23.1 3.9 15.8 29 29 A D S S+ 0 0 22 173,-2.6 59,-1.3 -2,-0.5 2,-0.3 0.853 80.5 38.1 -66.5 -36.3 24.4 7.0 17.7 30 30 A D S S- 0 0 35 172,-0.3 2,-0.5 57,-0.2 57,-0.2 -0.757 83.2-113.4-121.3 157.1 27.8 5.3 18.0 31 31 A T - 0 0 1 43,-0.5 45,-2.7 -2,-0.3 2,-0.4 -0.831 36.3-175.3 -88.0 126.9 30.1 3.1 16.0 32 32 A V E -gH 76 84B 0 52,-1.5 52,-3.0 -2,-0.5 2,-0.3 -0.990 3.2-171.6-132.6 123.4 30.5 -0.4 17.6 33 33 A L E -g 77 0B 2 43,-3.1 45,-2.5 -2,-0.4 47,-0.2 -0.833 29.1-102.7-115.4 152.9 32.9 -3.1 16.3 34 34 A E - 0 0 77 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.189 68.1 -55.2 -66.9 162.7 33.2 -6.7 17.3 35 35 A E S S+ 0 0 112 43,-0.2 2,-0.3 45,-0.1 -1,-0.2 -0.120 80.4 133.2 -46.9 128.5 36.1 -7.7 19.6 36 36 A M - 0 0 27 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.946 56.1 -96.2-166.6 164.7 39.5 -6.6 18.2 37 37 A N - 0 0 151 -2,-0.3 -2,-0.0 -21,-0.0 0, 0.0 -0.770 37.1-178.4 -93.5 134.0 42.6 -4.9 19.5 38 38 A L - 0 0 16 -2,-0.4 2,-0.1 2,-0.1 -2,-0.0 -0.971 29.4-109.4-124.5 147.8 43.0 -1.2 18.9 39 39 A P S S+ 0 0 99 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.428 73.8 26.9 -72.8 151.7 46.0 0.9 19.9 40 40 A G S S- 0 0 66 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.346 96.0 -32.9 99.8-177.0 45.8 3.5 22.7 41 41 A K - 0 0 93 -2,-0.1 19,-0.4 19,-0.1 2,-0.3 -0.398 52.2-170.4 -75.0 153.2 43.9 4.0 25.9 42 42 A W - 0 0 127 17,-0.1 17,-0.2 -2,-0.1 15,-0.0 -0.955 11.1-146.6-138.9 160.4 40.3 3.0 26.3 43 43 A K E -I 58 0B 47 15,-1.5 15,-2.9 -2,-0.3 2,-0.1 -0.973 28.6-108.0-123.4 140.7 37.7 3.6 28.9 44 44 A P E +I 57 0B 108 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.479 47.5 167.3 -66.7 138.7 34.9 1.2 30.0 45 45 A K E -I 56 0B 24 11,-2.2 11,-2.9 -2,-0.1 2,-0.4 -0.930 27.5-135.2-143.4 164.3 31.4 2.3 28.8 46 46 A M E -I 55 0B 123 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.984 20.2-177.3-123.0 139.9 28.0 0.9 28.5 47 47 A I E -I 54 0B 2 7,-2.1 7,-2.8 -2,-0.4 2,-0.3 -0.949 15.1-134.9-131.9 159.5 25.6 1.2 25.5 48 48 A G E +Ij 53 202B 8 153,-2.8 155,-3.5 -2,-0.3 5,-0.2 -0.843 22.8 166.2-118.3 146.7 22.1 0.0 24.8 49 49 A G E > -I 52 0B 7 3,-2.4 3,-0.9 101,-0.3 155,-0.2 -0.672 58.3 -67.0-136.0-163.1 20.4 -1.7 21.9 50 50 A I T 3 S+ 0 0 5 157,-0.5 101,-0.1 153,-0.4 3,-0.1 0.810 131.8 43.5 -66.5 -30.2 17.2 -3.4 21.1 51 51 A G T 3 S- 0 0 23 99,-2.0 2,-0.3 1,-0.3 100,-0.3 0.524 122.2 -89.7 -92.9 -6.7 18.0 -6.4 23.4 52 52 A G E < -I 49 0B 25 -3,-0.9 -3,-2.4 98,-0.8 -1,-0.3 -0.917 62.8 -29.2 130.4-158.6 19.4 -4.4 26.4 53 53 A F E -I 48 0B 149 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.710 45.7-172.4-105.0 148.3 22.8 -3.0 27.5 54 54 A I E -I 47 0B 20 -7,-2.8 -7,-2.1 -2,-0.3 2,-0.4 -0.911 26.1-114.7-130.5 159.7 26.3 -4.2 26.9 55 55 A K E +I 46 0B 162 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.804 39.9 174.6 -90.9 133.8 29.8 -3.3 28.2 56 56 A V E -I 45 0B 7 -11,-2.9 -11,-2.2 -2,-0.4 2,-0.5 -0.875 33.6-116.5-132.5 165.2 32.2 -1.9 25.6 57 57 A R E -IK 44 77B 40 20,-2.6 20,-2.1 -2,-0.3 2,-0.7 -0.927 30.0-144.1 -98.7 127.2 35.7 -0.4 25.4 58 58 A Q E -IK 43 76B 61 -15,-2.9 -15,-1.5 -2,-0.5 2,-0.5 -0.854 16.0-173.7 -98.2 116.4 35.6 3.2 24.2 59 59 A Y E - K 0 75B 5 16,-2.9 16,-2.5 -2,-0.7 3,-0.4 -0.924 13.7-150.3-102.7 125.9 38.5 4.3 22.0 60 60 A D E + 0 0 96 -2,-0.5 14,-0.2 -19,-0.4 13,-0.1 -0.642 66.2 11.0 -96.8 155.2 38.7 8.0 21.2 61 61 A Q E S+ 0 0 162 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.889 78.8 165.4 55.2 45.9 40.0 9.8 18.1 62 62 A I E - K 0 73B 18 11,-2.7 11,-2.4 -3,-0.4 2,-0.3 -0.810 35.7-127.7 -95.4 125.5 40.5 6.7 16.0 63 63 A P E + K 0 72B 84 0, 0.0 -47,-0.6 0, 0.0 2,-0.4 -0.565 31.9 177.0 -72.7 137.0 41.0 7.1 12.3 64 64 A V E -EK 15 71B 4 7,-3.0 7,-2.5 -2,-0.3 2,-0.6 -0.999 19.7-151.3-140.4 128.2 38.6 5.0 10.2 65 65 A E E -EK 14 70B 95 -51,-2.5 -51,-2.0 -2,-0.4 2,-0.5 -0.935 13.9-169.6-104.0 125.7 38.4 4.9 6.4 66 66 A I E > S-EK 13 69B 0 3,-3.1 3,-2.2 -2,-0.6 -53,-0.2 -0.942 71.6 -26.9-122.8 110.0 34.9 4.1 5.1 67 67 A C T 3 S- 0 0 58 -55,-1.9 -1,-0.2 -2,-0.5 -54,-0.1 0.856 128.0 -49.2 50.2 39.0 34.5 3.4 1.4 68 68 A G T 3 S+ 0 0 54 1,-0.3 2,-0.4 -56,-0.2 -1,-0.3 0.427 115.0 120.2 85.7 -1.5 37.6 5.6 0.8 69 69 A H E < - K 0 66B 67 -3,-2.2 -3,-3.1 1,-0.0 2,-0.3 -0.848 60.6-127.3-103.4 135.6 36.2 8.4 3.0 70 70 A K E + K 0 65B 80 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.574 31.9 166.8 -87.5 133.5 38.3 9.5 6.0 71 71 A A E - 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