==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 22-AUG-06 2I4V . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR M.HATADA . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9861.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 13 6.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 70 35.4 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 3.0 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 . 26 13.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 7.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 3.0 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 . 0 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 . 2 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 2 0 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,-1.6 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 174.5 -1.6 40.1 19.7 2 2 A Q E -A 198 0A 133 196,-0.2 2,-0.6 197,-0.1 196,-0.2 -0.878 360.0-155.9-106.4 134.4 -1.0 37.0 21.8 3 3 A I E -A 197 0A 39 194,-3.3 194,-2.4 -2,-0.4 2,-0.0 -0.942 14.0-142.1-113.7 113.7 0.1 33.7 20.3 4 4 A T - 0 0 66 -2,-0.6 3,-0.2 192,-0.2 192,-0.1 -0.264 5.0-142.8 -68.9 158.7 -0.8 30.6 22.4 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.1 -1,-0.1 0.238 74.3 103.0-108.8 12.1 1.6 27.6 22.6 6 6 A W S S+ 0 0 175 185,-0.1 2,-0.3 2,-0.1 -1,-0.1 0.837 94.3 24.7 -59.8 -35.3 -0.9 24.8 22.5 7 7 A Q S S- 0 0 131 -3,-0.2 0, 0.0 1,-0.0 0, 0.0 -0.791 110.6 -72.1-123.0 168.9 0.0 24.3 18.9 8 8 A R - 0 0 138 -2,-0.3 2,-1.8 1,-0.1 119,-0.1 -0.429 50.7-120.4 -62.9 126.7 3.2 25.1 16.9 9 9 A P + 0 0 6 0, 0.0 15,-2.9 0, 0.0 2,-0.3 -0.534 44.8 178.8 -74.2 84.3 3.4 28.9 16.4 10 10 A L E +D 23 0B 84 -2,-1.8 2,-0.3 13,-0.2 13,-0.2 -0.657 8.3 172.1 -92.2 146.3 3.3 29.0 12.6 11 11 A V E -D 22 0B 20 11,-2.5 11,-3.0 -2,-0.3 2,-0.5 -0.934 30.3-120.1-144.5 161.3 3.4 32.1 10.4 12 12 A T E -D 21 0B 78 -2,-0.3 55,-0.6 9,-0.2 2,-0.3 -0.934 30.4-167.5-109.2 127.4 3.7 33.0 6.7 13 13 A I E -DE 20 66B 1 7,-2.8 7,-2.1 -2,-0.5 2,-0.5 -0.779 17.7-134.9-112.8 160.2 6.6 35.1 5.7 14 14 A K E +DE 19 65B 71 51,-1.5 51,-1.5 -2,-0.3 2,-0.3 -0.971 36.2 157.3-116.0 117.1 7.4 37.0 2.5 15 15 A I E > -D 18 0B 1 3,-2.9 3,-1.6 -2,-0.5 49,-0.1 -0.941 64.2 -11.4-148.2 121.6 11.0 36.6 1.3 16 16 A G T 3 S- 0 0 56 47,-0.5 3,-0.1 -2,-0.3 21,-0.1 0.842 125.2 -56.2 62.1 35.9 12.6 36.9 -2.2 17 17 A G T 3 S+ 0 0 58 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.254 118.9 111.0 81.1 -12.8 9.2 37.0 -3.8 18 18 A Q E < -D 15 0B 78 -3,-1.6 -3,-2.9 2,-0.0 2,-0.5 -0.666 61.9-140.4 -97.5 149.1 8.3 33.7 -2.2 19 19 A L E +D 14 0B 120 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.935 26.9 179.3-107.7 126.3 5.8 32.9 0.5 20 20 A K E -D 13 0B 26 -7,-2.1 -7,-2.8 -2,-0.5 2,-0.4 -0.991 27.0-131.6-132.9 138.5 7.0 30.4 3.1 21 21 A E E +D 12 0B 114 -2,-0.4 62,-0.3 -9,-0.2 2,-0.3 -0.722 37.7 174.1 -85.8 132.8 5.4 28.9 6.2 22 22 A A E -D 11 0B 1 -11,-3.0 -11,-2.5 -2,-0.4 2,-0.5 -0.957 31.9-113.1-141.2 160.2 7.8 29.0 9.2 23 23 A L E -Df 10 84B 4 60,-2.5 62,-3.2 -2,-0.3 2,-1.0 -0.795 25.5-127.7 -97.1 124.6 7.9 28.4 12.9 24 24 A L E - f 0 85B 0 -15,-2.9 2,-0.6 -2,-0.5 62,-0.1 -0.634 40.5-173.7 -69.8 106.3 8.3 31.3 15.4 25 25 A D > - 0 0 16 60,-2.3 3,-1.6 -2,-1.0 62,-0.3 -0.853 30.3-179.9-118.0 103.5 11.3 29.7 17.2 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.666 88.5 61.2 -68.9 -18.0 12.7 31.3 20.4 27 27 A G T 3 S+ 0 0 18 81,-0.1 2,-0.6 96,-0.1 -1,-0.3 0.539 88.3 85.8 -84.7 -8.1 15.2 28.4 20.5 28 28 A A < - 0 0 14 -3,-1.6 59,-2.9 57,-0.2 60,-0.3 -0.858 59.9-163.6 -98.6 117.3 16.7 29.4 17.1 29 29 A D S S+ 0 0 54 -2,-0.6 59,-1.8 57,-0.2 2,-0.3 0.937 80.0 22.7 -60.9 -46.7 19.4 32.0 17.2 30 30 A D S S- 0 0 39 57,-0.2 2,-0.3 56,-0.2 57,-0.1 -0.807 91.1 -97.6-121.2 160.6 18.9 32.6 13.4 31 31 A T E -g 75 0B 0 43,-0.7 45,-2.6 -2,-0.3 2,-0.4 -0.596 40.2-165.8 -75.0 131.7 16.2 32.1 10.8 32 32 A V E -gH 76 84B 7 52,-2.1 52,-2.5 -2,-0.3 2,-0.3 -0.984 7.6-178.8-127.9 122.9 16.7 28.9 8.9 33 33 A L E -g 77 0B 0 43,-2.7 45,-2.5 -2,-0.4 47,-0.2 -0.877 31.1-101.1-122.2 154.6 14.9 28.0 5.7 34 34 A E S S- 0 0 85 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.155 70.6 -53.9 -62.9 161.9 14.9 25.1 3.3 35 35 A E S S+ 0 0 111 43,-0.3 2,-0.3 42,-0.1 -1,-0.2 -0.055 77.3 140.6 -43.3 132.5 16.9 25.4 0.0 36 36 A M - 0 0 17 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.964 52.1 -95.9-168.0 160.4 16.0 28.5 -2.0 37 37 A S + 0 0 101 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.737 40.3 177.3 -91.2 132.2 17.7 31.1 -4.2 38 38 A L - 0 0 11 -2,-0.4 2,-0.2 2,-0.1 -2,-0.0 -0.978 27.5-115.1-132.6 146.3 18.6 34.4 -2.5 39 39 A P S S+ 0 0 100 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.490 71.8 36.0 -80.4 152.4 20.4 37.5 -3.9 40 40 A G S S- 0 0 60 -2,-0.2 2,-0.2 19,-0.1 -2,-0.1 -0.371 92.9 -49.9 101.7 177.3 23.8 38.6 -2.6 41 41 A R - 0 0 219 -2,-0.1 19,-0.4 19,-0.1 2,-0.3 -0.483 52.9-164.1 -86.7 161.6 27.0 37.0 -1.4 42 42 A W - 0 0 127 -2,-0.2 17,-0.2 17,-0.1 15,-0.0 -0.945 14.7-137.4-144.3 163.7 27.0 34.3 1.3 43 43 A K E -I 58 0B 89 15,-1.4 15,-3.1 -2,-0.3 2,-0.1 -0.964 28.3-115.6-123.7 138.8 29.3 32.5 3.7 44 44 A P E +I 57 0B 89 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.461 42.0 174.5 -71.3 148.1 29.3 28.7 4.4 45 45 A K E -I 56 0B 75 11,-2.1 11,-3.1 -2,-0.1 2,-0.5 -0.992 28.1-139.1-154.5 151.7 28.3 27.8 8.0 46 46 A M E -I 55 0B 118 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.976 20.8-171.7-116.7 123.1 27.6 24.8 10.2 47 47 A I E -I 54 0B 26 7,-2.4 7,-2.2 -2,-0.5 2,-0.4 -0.940 6.8-153.7-118.1 138.5 24.7 24.9 12.7 48 48 A G E +I 53 0B 38 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.870 27.0 132.6-117.3 148.7 23.9 22.3 15.3 49 49 A G E > -I 52 0B 22 3,-2.3 3,-2.0 -2,-0.4 2,-0.2 -0.713 65.1 -19.0-157.0-154.7 20.9 21.2 17.2 50 50 A I T 3 S+ 0 0 27 1,-0.3 101,-1.8 -2,-0.2 102,-0.6 -0.488 132.1 21.6 -66.7 127.8 19.2 17.9 18.1 51 51 A G T 3 S- 0 0 28 128,-0.5 2,-0.3 -2,-0.2 -1,-0.3 0.322 123.6 -84.5 96.6 -9.5 20.5 15.2 15.8 52 52 A G E < -I 49 0B 29 -3,-2.0 -3,-2.3 100,-0.1 99,-0.3 -0.771 65.0 -29.0 117.9-159.1 23.6 17.0 14.9 53 53 A F E -I 48 0B 138 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.701 38.4-164.8-106.6 153.3 24.9 19.7 12.5 54 54 A I E -I 47 0B 20 -7,-2.2 -7,-2.4 -2,-0.3 2,-0.4 -0.953 24.7-119.1-131.4 151.0 23.8 20.7 9.0 55 55 A K E +I 46 0B 145 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.777 39.0 174.3 -91.5 134.6 25.7 22.9 6.5 56 56 A V E -I 45 0B 4 -11,-3.1 -11,-2.1 -2,-0.4 2,-0.5 -0.892 33.3-117.6-137.4 165.4 24.0 26.1 5.4 57 57 A R E -IJ 44 77B 48 20,-2.5 20,-2.5 -2,-0.3 2,-0.6 -0.929 29.8-141.5-105.8 124.5 24.6 29.3 3.4 58 58 A Q E -IJ 43 76B 34 -15,-3.1 -15,-1.4 -2,-0.5 2,-0.5 -0.788 19.2-177.1 -93.3 118.3 24.5 32.5 5.4 59 59 A Y E - J 0 75B 11 16,-2.6 16,-2.9 -2,-0.6 3,-0.3 -0.954 8.9-160.3-114.1 126.0 22.9 35.5 3.8 60 60 A D E + 0 0 67 -2,-0.5 14,-0.2 -19,-0.4 -19,-0.1 -0.620 64.9 26.2-102.1 164.8 22.9 38.8 5.7 61 61 A Q E S+ 0 0 150 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.890 75.9 163.1 51.8 51.6 20.7 41.9 5.2 62 62 A I E - J 0 73B 14 11,-2.6 11,-1.8 -3,-0.3 2,-0.4 -0.838 37.6-125.5-101.8 133.7 17.7 40.1 3.7 63 63 A L E + J 0 72B 92 -2,-0.4 -47,-0.5 9,-0.2 2,-0.3 -0.666 34.8 175.4 -80.8 127.3 14.3 41.8 3.6 64 64 A I E - J 0 71B 1 7,-3.2 7,-2.6 -2,-0.4 2,-0.5 -0.959 18.4-151.0-132.5 148.9 11.5 39.7 5.2 65 65 A E E +EJ 14 70B 62 -51,-1.5 -51,-1.5 -2,-0.3 2,-0.4 -0.974 17.1 171.3-127.6 120.2 7.8 40.5 5.9 66 66 A I E > S-EJ 13 69B 3 3,-1.9 3,-2.2 -2,-0.5 -53,-0.1 -0.991 70.9 -17.9-131.0 126.0 5.8 39.1 8.7 67 67 A C T 3 S- 0 0 77 -55,-0.6 3,-0.1 -2,-0.4 -1,-0.1 0.706 127.9 -51.2 55.4 25.0 2.3 40.1 9.8 68 68 A G T 3 S+ 0 0 56 1,-0.4 2,-0.3 0, 0.0 -1,-0.3 0.303 112.4 118.4 97.6 -9.4 2.6 43.4 7.9 69 69 A H E < - J 0 66B 77 -3,-2.2 -3,-1.9 24,-0.0 2,-0.7 -0.733 56.0-144.0 -92.1 139.3 6.0 44.4 9.4 70 70 A K E + J 0 65B 124 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.905 29.3 170.6-108.1 109.7 9.0 44.8 7.1 71 71 A A E - 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