==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=30-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-JAN-06 2FNT . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR M.PRABU-JEYABALN,E.A.NALIVAIKA,C.A.SCHIFFER . 205 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9503.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 64.9 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 . 73 35.6 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 . 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 . 23 11.2 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 3 2 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 92 0, 0.0 198,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 168.8 13.5 13.7 28.8 2 2 A Q E -A 198 0A 124 196,-0.2 2,-0.5 194,-0.0 196,-0.2 -0.963 360.0-163.7-114.2 129.8 17.1 14.0 27.7 3 3 A I E -A 197 0A 35 194,-3.3 194,-2.7 -2,-0.5 2,-0.1 -0.966 7.4-152.7-117.2 116.1 17.8 14.9 24.1 4 4 A T - 0 0 67 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.314 15.8-129.0 -79.3 170.7 21.3 14.4 22.8 5 5 A L S S+ 0 0 2 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.152 74.7 109.1-117.8 20.9 22.6 16.4 19.9 6 6 A W S S+ 0 0 184 185,-0.1 2,-0.2 184,-0.1 -1,-0.2 0.851 92.8 25.5 -60.1 -35.7 23.9 13.9 17.5 7 7 A K S S- 0 0 162 -3,-0.2 0, 0.0 1,-0.1 0, 0.0 -0.745 110.7 -73.5-119.2 168.1 21.0 14.9 15.3 8 8 A R - 0 0 98 -2,-0.2 2,-2.1 1,-0.1 119,-0.1 -0.462 49.6-118.8 -61.0 134.4 18.9 18.1 15.0 9 9 A P + 0 0 5 0, 0.0 15,-2.8 0, 0.0 2,-0.4 -0.505 51.7 168.5 -80.4 74.6 16.7 18.2 18.1 10 10 A L E +D 23 0B 104 -2,-2.1 2,-0.3 13,-0.2 13,-0.2 -0.729 8.7 171.6 -94.7 137.7 13.5 18.2 16.1 11 11 A V E -D 22 0B 21 11,-2.7 11,-3.4 -2,-0.4 2,-0.5 -0.936 35.3-113.4-139.9 155.1 10.1 17.7 17.6 12 12 A T E -D 21 0B 91 -2,-0.3 55,-0.6 9,-0.3 9,-0.3 -0.837 37.7-169.3 -91.0 129.0 6.5 17.9 16.4 13 13 A I E -DE 20 66B 3 7,-3.5 7,-1.8 -2,-0.5 2,-0.4 -0.688 10.4-140.5-110.0 168.3 4.7 20.7 18.1 14 14 A R E +DE 19 65B 111 51,-1.7 51,-2.8 -2,-0.2 2,-0.5 -0.991 16.9 178.1-134.5 129.8 1.0 21.6 18.1 15 15 A I E > S-D 18 0B 12 3,-2.4 3,-2.3 -2,-0.4 2,-0.3 -0.973 73.1 -49.3-126.3 114.3 -0.7 25.0 17.9 16 16 A G T 3 S- 0 0 52 -2,-0.5 49,-0.1 1,-0.3 48,-0.0 -0.436 125.3 -19.2 57.4-119.9 -4.5 24.6 17.9 17 17 A G T 3 S+ 0 0 86 -2,-0.3 2,-0.4 -3,-0.1 -1,-0.3 0.283 117.9 102.5 -93.3 9.8 -5.3 22.0 15.3 18 18 A Q E < -D 15 0B 73 -3,-2.3 -3,-2.4 2,-0.0 2,-0.4 -0.835 53.4-156.9-110.8 131.9 -1.9 22.4 13.5 19 19 A L E +D 14 0B 123 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.815 15.7 174.6 -98.0 140.7 1.2 20.2 13.7 20 20 A K E -D 13 0B 36 -7,-1.8 -7,-3.5 -2,-0.4 2,-0.5 -0.990 30.7-129.6-137.4 146.5 4.6 21.5 12.8 21 21 A E E +D 12 0B 59 -2,-0.3 62,-0.3 -9,-0.3 2,-0.3 -0.868 40.9 179.5 -89.0 129.7 8.1 19.9 13.0 22 22 A A E -D 11 0B 0 -11,-3.4 -11,-2.7 -2,-0.5 2,-0.5 -0.979 27.6-122.9-140.7 152.1 10.3 22.3 14.9 23 23 A L E -Df 10 84B 3 60,-2.7 62,-3.0 -2,-0.3 2,-0.8 -0.753 21.4-129.4 -97.0 125.8 13.9 22.6 16.1 24 24 A L E - f 0 85B 0 -15,-2.8 2,-0.6 -2,-0.5 62,-0.2 -0.680 37.1-172.5 -73.8 110.7 14.7 23.2 19.8 25 25 A N > + 0 0 0 60,-2.9 3,-1.7 -2,-0.8 62,-0.3 -0.848 28.6 178.1-124.4 96.6 17.1 26.1 19.4 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.665 86.1 63.0 -70.6 -15.7 19.0 27.5 22.3 27 27 A G T 3 S+ 0 0 2 81,-0.1 177,-1.7 96,-0.1 2,-0.5 0.432 89.6 83.2 -86.3 2.3 20.6 30.0 19.9 28 28 A A B < -L 203 0C 0 -3,-1.7 59,-2.8 175,-0.3 175,-0.3 -0.910 58.3-164.0-109.9 128.8 17.3 31.6 19.2 29 29 A D S S+ 0 0 23 173,-2.3 59,-1.4 -2,-0.5 2,-0.2 0.879 78.9 37.3 -70.2 -34.8 15.8 34.3 21.5 30 30 A D S S- 0 0 30 172,-0.2 2,-0.4 57,-0.2 57,-0.1 -0.695 81.3-113.6-123.1 161.2 12.4 33.8 19.9 31 31 A T - 0 0 0 43,-0.5 45,-2.8 -2,-0.2 2,-0.4 -0.841 35.1-177.6 -96.4 126.6 10.1 31.2 18.4 32 32 A V E +gH 76 84B 0 52,-1.1 52,-2.8 -2,-0.4 2,-0.3 -0.996 5.9 175.9-134.3 131.7 9.5 31.4 14.6 33 33 A L E -g 77 0B 1 43,-2.6 45,-2.1 -2,-0.4 2,-0.3 -0.912 20.4-133.9-126.5 153.2 7.3 29.3 12.4 34 34 A E S S+ 0 0 78 -2,-0.3 49,-0.0 43,-0.2 43,-0.0 -0.718 78.8 20.6-100.8 159.0 6.4 29.5 8.7 35 35 A E S S+ 0 0 145 -2,-0.3 2,-0.4 1,-0.2 -1,-0.2 0.906 83.0 141.3 59.0 54.3 2.9 29.1 7.1 36 36 A M - 0 0 10 -3,-0.2 2,-0.3 2,-0.0 -1,-0.2 -0.893 39.4-163.2-137.1 109.2 0.8 29.9 10.2 37 37 A N - 0 0 85 -2,-0.4 0, 0.0 40,-0.0 0, 0.0 -0.684 26.9-178.3 -72.2 134.0 -2.4 31.9 10.4 38 38 A L - 0 0 19 -2,-0.3 2,-0.1 2,-0.1 -2,-0.0 -0.967 25.9-102.8-132.7 157.1 -2.7 32.6 14.1 39 39 A P S S+ 0 0 101 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.408 72.9 20.9 -76.7 153.1 -5.5 34.5 16.0 40 40 A G S S- 0 0 63 -2,-0.1 -2,-0.1 19,-0.1 2,-0.0 -0.203 95.2 -28.1 94.2-176.1 -5.3 38.1 17.2 41 41 A K - 0 0 190 -2,-0.1 19,-0.5 19,-0.0 2,-0.3 -0.303 55.0-170.9 -75.3 157.7 -3.4 41.2 16.5 42 42 A W - 0 0 104 17,-0.1 17,-0.2 -2,-0.0 -2,-0.0 -0.988 11.0-152.4-146.2 153.4 0.1 41.1 15.2 43 43 A K E -I 58 0B 125 15,-1.5 15,-3.1 -2,-0.3 2,-0.1 -0.957 29.3-105.3-125.0 144.9 2.9 43.6 14.6 44 44 A P E +I 57 0B 73 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.382 42.6 172.9 -62.9 146.7 5.7 43.5 12.0 45 45 A K E -I 56 0B 63 11,-2.3 11,-3.0 -2,-0.1 2,-0.5 -0.976 25.4-138.3-149.5 156.7 9.2 42.6 13.3 46 46 A M E -I 55 0B 115 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.990 20.3-170.9-124.2 128.1 12.6 41.9 11.8 47 47 A I E -I 54 0B 1 7,-2.3 7,-2.7 -2,-0.5 2,-0.3 -0.914 7.6-149.3-123.8 145.5 14.8 39.1 13.2 48 48 A G E +Ij 53 202B 5 153,-3.3 155,-2.9 -2,-0.3 2,-0.3 -0.728 25.6 140.1-119.9 156.6 18.3 38.3 12.3 49 49 A G E > -I 52 0B 7 3,-1.8 3,-2.1 -2,-0.3 155,-0.2 -0.905 64.9 -24.8-164.6-167.4 20.7 35.4 12.1 50 50 A I T 3 S+ 0 0 5 155,-0.5 100,-3.3 -2,-0.3 130,-0.1 -0.402 132.0 22.2 -53.1 124.3 23.5 34.1 9.9 51 51 A G T 3 S- 0 0 41 128,-0.5 2,-0.3 98,-0.3 -1,-0.3 -0.002 122.9 -81.0 106.0 -26.7 22.9 35.7 6.4 52 52 A G E < -I 49 0B 24 -3,-2.1 -3,-1.8 2,-0.0 2,-0.3 -0.959 64.2 -31.9 131.3-153.5 20.8 38.6 7.6 53 53 A F E -I 48 0B 121 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.753 34.1-159.4-113.2 152.2 17.2 39.4 8.6 54 54 A I E -I 47 0B 23 -7,-2.7 -7,-2.3 -2,-0.3 2,-0.4 -0.935 24.4-119.0-124.8 154.5 13.7 38.3 7.7 55 55 A K E +I 46 0B 107 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.788 40.1 171.4 -89.6 132.5 10.5 40.1 8.2 56 56 A V E -I 45 0B 4 -11,-3.0 -11,-2.3 -2,-0.4 2,-0.5 -0.878 34.0-115.3-134.5 165.1 8.0 38.3 10.5 57 57 A R E -IK 44 77B 109 20,-2.5 20,-2.2 -2,-0.3 2,-0.6 -0.914 27.8-142.7-100.2 131.4 4.6 38.9 12.2 58 58 A Q E -IK 43 76B 30 -15,-3.1 -15,-1.5 -2,-0.5 2,-0.4 -0.855 19.2-178.5 -99.1 119.3 4.7 38.9 16.0 59 59 A Y E - K 0 75B 7 16,-2.4 16,-2.5 -2,-0.6 3,-0.3 -0.939 15.4-145.4-113.3 138.1 1.7 37.3 17.7 60 60 A D E + 0 0 88 -19,-0.5 14,-0.2 -2,-0.4 13,-0.1 -0.666 67.1 14.8-107.6 157.6 1.6 37.3 21.6 61 61 A Q E S+ 0 0 143 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.870 76.3 162.9 49.8 53.1 0.2 34.8 24.1 62 62 A I E - K 0 73B 8 11,-2.9 11,-1.9 -3,-0.3 2,-0.3 -0.864 37.0-126.1-100.5 126.3 -0.1 31.9 21.7 63 63 A P E - K 0 72B 78 0, 0.0 2,-0.4 0, 0.0 9,-0.2 -0.578 28.9-179.3 -72.0 132.4 -0.4 28.3 23.1 64 64 A V E - K 0 71B 3 7,-2.8 7,-2.7 -2,-0.3 2,-0.5 -0.989 18.5-146.2-133.9 119.3 2.2 25.8 21.9 65 65 A E E +EK 14 70B 62 -51,-2.8 -51,-1.7 -2,-0.4 2,-0.4 -0.799 20.9 179.7 -86.6 126.5 2.2 22.2 23.0 66 66 A I E > -EK 13 69B 0 3,-2.9 3,-2.0 -2,-0.5 -53,-0.1 -0.945 68.2 -31.0-133.6 104.9 5.7 20.8 23.2 67 67 A C T 3 S- 0 0 63 -55,-0.6 3,-0.1 -2,-0.4 -1,-0.1 0.889 124.8 -47.6 52.8 44.9 6.3 17.2 24.3 68 68 A G T 3 S+ 0 0 64 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.455 116.1 117.5 79.1 -1.0 3.2 17.3 26.5 69 69 A H E < - K 0 66B 63 -3,-2.0 -3,-2.9 2,-0.0 2,-0.8 -0.839 61.8-135.1-100.1 138.2 4.2 20.6 28.0 70 70 A K E - 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