==== 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 13-JUN-06 2HB2 . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR H.HEASLET,K.TAM,J.H.ELDER,C.D.STOUT . 97 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 6658.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 57 58.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 6.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 27 27.8 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 . 2 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 1.0 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 . 13 13.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 5 5.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 3.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 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 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 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 1 0 1 1 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 0 ANTIPARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 1 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 0 129 0, 0.0 2,-0.5 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0-172.4 34.2 73.0 75.6 2 2 A Q - 0 0 175 2,-0.0 2,-0.5 0, 0.0 0, 0.0 -0.985 360.0-165.0-124.3 118.9 33.8 73.7 79.3 3 3 A I - 0 0 77 -2,-0.5 2,-0.2 6,-0.0 0, 0.0 -0.894 5.8-151.4-111.2 132.3 32.3 77.0 80.3 4 4 A T - 0 0 83 -2,-0.5 3,-0.3 4,-0.1 -2,-0.0 -0.573 16.4-131.6 -92.0 162.7 32.4 78.4 83.8 5 5 A L S S+ 0 0 127 -2,-0.2 -1,-0.1 1,-0.2 -2,-0.0 0.113 71.7 113.3-105.4 22.6 29.7 80.7 85.1 6 6 A W S S+ 0 0 245 2,-0.1 2,-0.3 0, 0.0 -1,-0.2 0.781 92.1 17.2 -62.1 -29.5 31.9 83.5 86.6 7 7 A K S S- 0 0 176 -3,-0.3 0, 0.0 3,-0.0 0, 0.0 -0.874 112.8 -65.3-133.9 170.0 30.5 85.7 83.9 8 8 A R - 0 0 203 -2,-0.3 2,-2.1 1,-0.1 -2,-0.1 -0.363 54.3-117.5 -58.6 128.2 27.4 85.4 81.6 9 9 A P + 0 0 25 0, 0.0 15,-2.8 0, 0.0 2,-0.4 -0.452 46.4 171.8 -72.2 80.5 28.0 82.5 79.3 10 10 A L E +A 23 0A 83 -2,-2.1 2,-0.3 13,-0.2 13,-0.2 -0.776 3.3 172.3 -94.5 134.2 28.0 84.3 75.9 11 11 A V E -A 22 0A 9 11,-2.7 11,-2.1 -2,-0.4 2,-0.4 -0.784 33.5-103.5-130.6 174.4 29.0 82.3 72.9 12 12 A T E -A 21 0A 72 -2,-0.3 54,-1.1 9,-0.2 2,-0.4 -0.871 31.9-170.7-104.8 134.1 29.1 82.7 69.1 13 13 A I E -AB 20 65A 5 7,-2.6 7,-1.5 -2,-0.4 2,-0.6 -0.986 14.8-146.4-124.5 135.8 26.4 81.1 67.0 14 14 A K E +AB 19 64A 71 50,-2.2 50,-1.0 -2,-0.4 2,-0.3 -0.902 34.4 153.9-102.1 119.7 26.4 80.9 63.2 15 15 A I E > +AB 18 63A 2 3,-2.5 3,-2.0 -2,-0.6 48,-0.1 -0.992 65.7 5.7-145.5 139.1 22.9 81.1 61.8 16 16 A G T 3 S- 0 0 38 46,-0.5 21,-0.1 -2,-0.3 3,-0.1 0.804 127.8 -67.0 57.2 26.4 21.7 82.3 58.4 17 17 A G T 3 S+ 0 0 70 1,-0.3 -1,-0.3 0, 0.0 2,-0.2 0.287 116.1 107.8 78.6 -13.4 25.4 82.6 57.5 18 18 A Q E < -A 15 0A 76 -3,-2.0 -3,-2.5 1,-0.0 2,-0.3 -0.622 66.0-130.8 -95.6 157.4 25.8 85.4 60.0 19 19 A L E +A 14 0A 116 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.807 31.6 172.1-104.4 148.3 27.7 85.1 63.3 20 20 A K E -A 13 0A 27 -7,-1.5 -7,-2.6 -2,-0.3 2,-0.6 -0.986 33.9-114.6-153.2 160.1 26.1 86.4 66.5 21 21 A E E +A 12 0A 119 -2,-0.3 61,-0.3 -9,-0.2 2,-0.3 -0.884 39.5 169.8-101.2 118.3 26.5 86.5 70.3 22 22 A A E -A 11 0A 0 -11,-2.1 -11,-2.7 -2,-0.6 2,-0.5 -0.839 31.6-118.7-124.0 162.9 23.9 84.6 72.3 23 23 A L E -Ac 10 83A 40 59,-1.9 61,-2.8 -2,-0.3 2,-0.7 -0.877 21.4-127.2-104.9 127.4 23.6 83.6 75.9 24 24 A I E - c 0 84A 24 -15,-2.8 2,-0.5 -2,-0.5 61,-0.1 -0.629 35.4-176.4 -72.4 117.2 23.5 79.9 76.9 25 25 A D > + 0 0 50 59,-2.4 3,-1.9 -2,-0.7 61,-0.3 -0.828 22.9 180.0-124.9 96.1 20.4 79.9 79.1 26 26 A T T 3 S+ 0 0 73 -2,-0.5 -1,-0.1 1,-0.3 60,-0.1 0.672 84.9 63.3 -67.1 -14.4 19.4 76.7 80.7 27 27 A G T 3 S+ 0 0 67 -3,-0.1 2,-0.4 58,-0.0 -1,-0.3 0.345 90.3 80.6 -91.4 7.8 16.4 78.4 82.3 28 28 A A < - 0 0 19 -3,-1.9 58,-2.6 56,-0.2 59,-0.2 -0.957 60.9-159.6-118.1 128.8 14.8 79.1 78.8 29 29 A D S S+ 0 0 99 -2,-0.4 58,-2.0 56,-0.2 2,-0.2 0.914 76.2 42.1 -70.5 -39.8 12.9 76.5 76.9 30 30 A D S S- 0 0 71 56,-0.2 2,-0.5 55,-0.2 56,-0.1 -0.629 75.8-120.6-113.7 166.2 13.3 78.2 73.6 31 31 A T + 0 0 2 42,-0.4 44,-2.8 -2,-0.2 2,-0.4 -0.871 29.9 177.4-103.8 127.5 15.8 80.0 71.5 32 32 A V E -dE 75 83A 14 51,-1.7 51,-2.3 -2,-0.5 2,-0.3 -0.969 3.5-174.7-137.8 121.1 15.1 83.6 70.5 33 33 A L E -d 76 0A 2 42,-2.8 44,-2.3 -2,-0.4 46,-0.3 -0.719 31.8 -97.9-109.6 160.6 17.4 85.9 68.5 34 34 A E - 0 0 94 -2,-0.3 -1,-0.1 42,-0.2 48,-0.0 -0.320 68.6 -57.6 -71.2 159.7 17.2 89.5 67.5 35 35 A E S S+ 0 0 110 42,-0.5 2,-0.3 41,-0.1 -1,-0.2 -0.028 73.7 146.9 -42.7 129.7 15.9 90.4 64.0 36 36 A M - 0 0 12 -3,-0.1 2,-0.8 2,-0.0 -20,-0.1 -0.951 52.3 -90.1-157.0 169.4 17.9 88.9 61.2 37 37 A N + 0 0 136 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.793 45.1 175.5 -96.5 109.9 17.3 87.5 57.8 38 38 A L - 0 0 9 -2,-0.8 2,-0.3 2,-0.1 -2,-0.0 -0.902 26.7-124.6-114.4 143.9 16.4 83.8 57.7 39 39 A P + 0 0 95 0, 0.0 2,-0.2 0, 0.0 -23,-0.1 -0.640 65.9 38.2 -85.2 138.7 15.4 81.8 54.6 40 40 A G S S- 0 0 59 -2,-0.3 2,-0.2 18,-0.0 -2,-0.1 -0.590 89.5 -49.9 120.6 177.2 12.2 79.9 54.6 41 41 A R - 0 0 234 -2,-0.2 18,-0.4 18,-0.1 2,-0.3 -0.565 52.6-177.7 -87.6 157.1 8.7 79.9 55.7 42 42 A W - 0 0 128 -2,-0.2 16,-0.2 16,-0.1 14,-0.0 -0.882 16.2-133.9-146.2 172.1 7.9 80.8 59.3 43 43 A K E -F 57 0A 109 14,-1.5 14,-2.9 -2,-0.3 2,-0.1 -0.960 29.8 -95.3-134.0 153.7 4.8 81.0 61.5 44 44 A P E +F 56 0A 107 0, 0.0 2,-0.3 0, 0.0 12,-0.2 -0.369 40.9 177.2 -69.1 145.2 3.6 83.6 64.0 45 45 A K E -F 55 0A 66 10,-1.6 10,-2.8 -2,-0.1 2,-0.5 -0.991 20.1-146.4-148.7 143.2 4.3 83.2 67.7 46 46 A I E F 54 0A 94 -2,-0.3 8,-0.2 8,-0.2 6,-0.1 -0.947 360.0 360.0-117.4 113.6 3.5 85.3 70.7 47 47 A I 0 0 66 6,-2.4 7,-0.2 -2,-0.5 -1,-0.1 0.565 360.0 360.0-128.7 360.0 6.0 85.4 73.6 48 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 49 50 A I 0 0 95 0, 0.0 32,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 52.7 11.6 91.2 79.1 50 51 A G - 0 0 81 30,-0.0 3,-0.1 3,-0.0 0, 0.0 -0.249 360.0 -48.4 65.2-156.9 8.6 93.6 79.2 51 52 A G S S- 0 0 61 1,-0.2 2,-0.1 0, 0.0 -4,-0.1 0.187 89.7 -30.3 -89.8-148.8 5.3 92.2 78.1 52 53 A L - 0 0 140 -6,-0.1 2,-0.3 1,-0.0 -1,-0.2 -0.374 56.3-174.4 -70.9 144.8 4.2 90.1 75.1 53 54 A I - 0 0 43 -3,-0.1 -6,-2.4 -2,-0.1 2,-0.3 -0.974 22.5-124.1-138.0 150.7 6.0 90.4 71.8 54 55 A K E +F 46 0A 152 -2,-0.3 2,-0.3 -8,-0.2 -8,-0.2 -0.748 36.4 170.0 -93.5 142.8 5.3 88.9 68.4 55 56 A V E -F 45 0A 9 -10,-2.8 -10,-1.6 -2,-0.3 2,-0.5 -0.856 34.4-106.3-142.7 177.0 8.0 86.9 66.7 56 57 A R E -FG 44 76A 44 20,-2.8 20,-2.6 -2,-0.3 2,-0.7 -0.954 25.3-148.4-114.8 122.9 8.6 84.6 63.8 57 58 A Q E -FG 43 75A 26 -14,-2.9 -14,-1.5 -2,-0.5 2,-0.4 -0.808 15.2-175.1 -92.6 112.4 9.1 80.9 64.4 58 59 A Y E - G 0 74A 8 16,-2.5 16,-2.5 -2,-0.7 3,-0.3 -0.915 12.7-149.3-106.5 135.0 11.4 79.1 62.0 59 60 A D E + 0 0 63 -2,-0.4 14,-0.2 -18,-0.4 -18,-0.1 -0.691 67.2 10.5-105.1 158.3 11.8 75.4 62.3 60 61 A Q E S+ 0 0 133 -2,-0.3 -1,-0.2 1,-0.2 13,-0.2 0.855 78.3 167.5 44.1 50.2 14.7 73.1 61.5 61 62 A I E - G 0 72A 13 11,-2.7 11,-1.5 -3,-0.3 2,-0.2 -0.771 36.4-121.9 -92.0 133.8 17.1 76.0 61.0 62 63 A P E + G 0 71A 92 0, 0.0 -46,-0.5 0, 0.0 2,-0.3 -0.561 40.3 169.9 -75.7 140.5 20.8 75.0 60.9 63 64 A I E -BG 15 70A 10 7,-2.8 7,-2.4 -2,-0.2 2,-0.4 -0.934 23.9-147.9-145.1 164.6 23.0 76.6 63.6 64 65 A E E -BG 14 69A 39 -50,-1.0 -50,-2.2 -2,-0.3 2,-0.6 -0.938 8.8-175.2-144.9 118.6 26.5 76.3 65.0 65 66 A I E S-B 13 0A 4 3,-1.6 -52,-0.2 2,-0.7 -2,-0.0 -0.916 79.4 -29.0-117.5 102.5 27.5 77.0 68.6 66 67 A C S S- 0 0 59 -54,-1.1 -1,-0.2 -2,-0.6 2,-0.2 0.980 126.7 -47.6 54.6 61.8 31.3 76.7 69.2 67 68 A G S S+ 0 0 42 -3,-0.1 -2,-0.7 1,-0.1 0, 0.0 -0.543 106.8 115.6 72.7-151.8 31.6 74.2 66.4 68 69 A H - 0 0 105 -4,-0.2 -3,-1.6 -2,-0.2 2,-0.5 0.923 58.1-141.2 53.7 95.5 28.9 71.6 67.0 69 70 A K E + G 0 64A 161 -5,-0.2 2,-0.3 -3,-0.1 -5,-0.2 -0.758 33.0 159.7 -88.4 128.3 26.4 71.8 64.1 70 71 A A E - G 0 63A 9 -7,-2.4 -7,-2.8 -2,-0.5 2,-0.3 -0.893 27.2-142.4-141.5 169.6 22.8 71.4 65.1 71 72 A I E + G 0 62A 90 -2,-0.3 2,-0.3 -9,-0.2 -11,-0.1 -0.970 36.6 115.4-134.5 153.0 19.3 72.1 63.8 72 73 A G E - G 0 61A 12 -11,-1.5 -11,-2.7 -2,-0.3 2,-0.3 -0.989 59.5 -42.7 172.3-175.2 16.2 73.3 65.5 73 74 A T E - 0 0 32 -2,-0.3 2,-0.4 -13,-0.2 -42,-0.4 -0.567 44.9-172.1 -80.9 136.5 13.6 75.9 66.1 74 75 A V E - G 0 58A 1 -16,-2.5 -16,-2.5 -2,-0.3 2,-0.5 -0.996 13.7-149.1-129.4 126.1 14.6 79.6 66.3 75 76 A L E -dG 32 57A 4 -44,-2.8 -42,-2.8 -2,-0.4 2,-0.5 -0.850 15.5-161.9 -95.8 129.9 12.3 82.4 67.2 76 77 A I E +dG 33 56A 0 -20,-2.6 -20,-2.8 -2,-0.5 -42,-0.2 -0.956 35.7 96.2-114.1 129.1 13.3 85.7 65.6 77 78 A G S S- 0 0 1 -44,-2.3 2,-2.7 -2,-0.5 -42,-0.5 -0.993 82.3 -42.7 177.2-173.0 12.1 89.0 66.9 78 79 A P + 0 0 92 0, 0.0 -44,-0.1 0, 0.0 -2,-0.0 -0.240 68.9 162.4 -74.7 54.4 12.5 92.1 69.1 79 80 A T - 0 0 15 -2,-2.7 -44,-0.1 -46,-0.3 3,-0.1 -0.545 46.9-130.5 -73.1 138.5 14.0 90.1 71.9 80 81 A P S S+ 0 0 106 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.754 90.1 7.8 -62.1 -21.6 15.9 92.2 74.5 81 82 A A S S- 0 0 47 -49,-0.1 2,-0.3 -32,-0.1 -49,-0.1 -0.987 82.9 -98.6-160.2 150.7 18.7 89.7 74.1 82 83 A N - 0 0 15 -61,-0.3 -59,-1.9 -2,-0.3 2,-0.4 -0.536 44.1-173.1 -69.6 127.3 19.9 86.7 72.1 83 84 A I E -cE 23 32A 36 -51,-2.3 -51,-1.7 -2,-0.3 2,-0.7 -0.986 21.5-155.8-131.9 128.1 19.1 83.5 74.0 84 85 A I E -c 24 0A 1 -61,-2.8 -59,-2.4 -2,-0.4 -56,-0.2 -0.914 28.8-165.1 -97.7 114.2 20.1 79.9 73.2 85 86 A G >> - 0 0 0 -2,-0.7 4,-2.1 -61,-0.1 3,-1.4 -0.268 35.9 -90.0 -93.9-176.9 17.5 77.7 75.0 86 87 A R H 3> S+ 0 0 113 -58,-2.6 4,-3.0 -61,-0.3 5,-0.4 0.876 116.0 73.0 -59.5 -38.9 17.3 74.1 75.9 87 88 A N H 34 S+ 0 0 41 -58,-2.0 -1,-0.3 1,-0.3 4,-0.2 0.774 113.7 27.7 -48.9 -29.1 15.7 73.1 72.6 88 89 A L H <> S+ 0 0 2 -3,-1.4 4,-0.7 2,-0.1 -1,-0.3 0.741 113.0 65.0-102.9 -31.2 19.0 73.8 71.0 89 90 A L H ><>S+ 0 0 8 -4,-2.1 5,-2.7 1,-0.2 3,-0.7 0.855 100.7 52.7 -61.9 -34.1 21.3 72.9 74.0 90 91 A T G ><5S+ 0 0 88 -4,-3.0 3,-1.3 1,-0.2 -1,-0.2 0.905 103.1 60.5 -68.5 -32.7 20.1 69.3 73.9 91 92 A Q G 345S+ 0 0 110 -5,-0.4 -1,-0.2 1,-0.3 -2,-0.2 0.657 108.6 40.4 -69.3 -16.4 21.1 69.2 70.2 92 93 A I G <<5S- 0 0 31 -3,-0.7 -1,-0.3 -4,-0.7 -2,-0.2 0.285 117.7-110.1-110.7 5.1 24.8 70.0 70.8 93 94 A G T < 5 + 0 0 56 -3,-1.3 2,-0.4 -4,-0.3 -3,-0.2 0.867 53.9 173.1 69.0 39.9 24.9 67.8 73.9 94 95 A C < + 0 0 52 -5,-2.7 2,-0.3 -6,-0.1 -1,-0.2 -0.645 3.9 175.3 -82.2 133.8 25.2 70.6 76.4 95 96 A T - 0 0 99 -2,-0.4 2,-0.4 2,-0.0 -5,-0.0 -0.918 32.0-120.3-134.1 162.3 25.0 69.5 80.0 96 97 A L - 0 0 116 -2,-0.3 2,-0.4 -70,-0.0 -2,-0.0 -0.874 36.1-173.1-100.3 134.7 25.4 71.0 83.4 97 98 A N 0 0 128 -2,-0.4 -2,-0.0 0, 0.0 0, 0.0 -0.994 360.0 360.0-137.5 135.9 28.2 69.5 85.5 98 99 A F 0 0 265 -2,-0.4 -2,-0.0 0, 0.0 0, 0.0 -0.960 360.0 360.0-162.7 360.0 29.4 69.8 89.1