==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=3-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 19-JUN-09 2WL0 . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 . AUTHOR A.K.MAHALINGAM,L.AXELSSON,J.K.EKEGREN,J.WANNBERG, . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9842.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 65.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 6.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 36.4 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 . 12 6.1 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 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 . 2 3 2 0 0 2 1 3 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 87 0, 0.0 198,-1.6 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 172.7 29.5 39.6 4.9 2 2 A Q E -A 198 0A 127 196,-0.2 2,-0.5 194,-0.0 196,-0.2 -0.951 360.0-160.1-112.5 118.0 29.3 37.0 2.1 3 3 A I E -A 197 0A 40 194,-2.7 194,-2.4 -2,-0.6 2,-0.1 -0.859 7.7-148.5-100.1 122.0 28.4 33.5 3.3 4 4 A T - 0 0 60 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.380 10.9-135.3 -81.3 168.0 29.3 30.6 1.0 5 5 A L S S+ 0 0 2 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.096 75.4 105.5-114.1 23.4 27.1 27.5 0.9 6 6 A W S S+ 0 0 166 2,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.824 94.8 25.1 -68.2 -31.0 29.8 24.7 1.0 7 7 A Q S S- 0 0 131 -3,-0.2 0, 0.0 1,-0.0 0, 0.0 -0.828 112.0 -73.6-126.0 165.6 28.7 24.2 4.5 8 8 A R - 0 0 115 -2,-0.3 2,-2.0 1,-0.1 119,-0.1 -0.368 51.4-116.0 -59.9 134.4 25.4 24.9 6.3 9 9 A P + 0 0 3 0, 0.0 15,-2.4 0, 0.0 2,-0.4 -0.506 48.9 172.2 -76.6 80.6 25.1 28.7 6.8 10 10 A L E +D 23 0B 69 -2,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.746 4.1 173.7 -94.2 136.8 25.1 28.7 10.6 11 11 A V E -D 22 0B 12 11,-2.8 11,-2.9 -2,-0.4 2,-0.4 -0.890 33.1-107.1-135.2 165.2 25.3 31.9 12.5 12 12 A T E -D 21 0B 86 -2,-0.3 55,-1.8 9,-0.2 2,-0.3 -0.786 35.8-170.3 -94.8 137.0 25.1 33.1 16.1 13 13 A I E -DE 20 66B 3 7,-3.1 7,-2.1 -2,-0.4 2,-0.5 -0.894 16.4-141.8-125.1 156.1 22.0 34.9 17.2 14 14 A K E +DE 19 65B 71 51,-2.3 51,-1.7 -2,-0.3 2,-0.3 -0.980 35.5 149.4-120.0 121.2 21.0 36.8 20.4 15 15 A I E > +DE 18 64B 0 3,-2.5 3,-2.6 -2,-0.5 49,-0.1 -0.987 62.4 3.7-153.6 140.6 17.5 36.3 21.7 16 16 A G T 3 S- 0 0 42 47,-0.5 3,-0.1 -2,-0.3 21,-0.1 0.830 127.7 -62.0 55.0 31.5 15.8 36.4 25.1 17 17 A G T 3 S+ 0 0 69 1,-0.3 -1,-0.3 0, 0.0 2,-0.3 0.614 117.0 113.2 70.9 11.1 19.2 37.2 26.6 18 18 A Q E < -D 15 0B 79 -3,-2.6 -3,-2.5 2,-0.0 2,-0.5 -0.792 63.0-134.7-114.8 157.5 20.5 33.9 25.3 19 19 A L E +D 14 0B 132 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.956 34.1 165.1-112.0 126.0 23.1 33.1 22.6 20 20 A K E -D 13 0B 48 -7,-2.1 -7,-3.1 -2,-0.5 2,-0.4 -0.947 36.5-117.5-139.2 159.7 22.2 30.3 20.2 21 21 A E E +D 12 0B 120 -2,-0.3 2,-0.3 -9,-0.2 62,-0.3 -0.826 38.6 177.2 -98.1 133.9 23.3 28.9 16.8 22 22 A A E -D 11 0B 1 -11,-2.9 -11,-2.8 -2,-0.4 2,-0.5 -0.950 27.7-117.2-138.0 159.8 20.8 29.1 14.0 23 23 A L E -Df 10 84B 3 60,-2.3 62,-3.1 -2,-0.3 2,-0.9 -0.840 21.2-130.5-101.8 125.7 20.5 28.3 10.3 24 24 A L E - f 0 85B 0 -15,-2.4 2,-0.6 -2,-0.5 62,-0.1 -0.629 35.1-174.7 -73.2 108.6 20.0 31.0 7.7 25 25 A D > + 0 0 19 60,-2.6 3,-1.8 -2,-0.9 62,-0.3 -0.831 25.3 178.6-117.7 97.4 17.1 29.4 5.8 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.659 87.4 60.1 -66.8 -15.1 15.8 31.1 2.6 27 27 A G T 3 S+ 0 0 18 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.459 88.0 90.9 -91.2 -1.1 13.4 28.2 2.2 28 28 A A < - 0 0 17 -3,-1.8 59,-3.1 57,-0.2 60,-0.2 -0.854 57.1-163.9-101.9 123.5 11.7 29.0 5.6 29 29 A D S S+ 0 0 52 -2,-0.5 59,-1.0 57,-0.2 2,-0.2 0.885 78.6 25.7 -66.7 -41.2 8.7 31.3 5.7 30 30 A D S S- 0 0 49 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.629 81.6-110.2-118.7 177.0 9.1 31.7 9.5 31 31 A T - 0 0 4 43,-0.4 45,-3.0 -2,-0.2 2,-0.4 -0.940 35.8-179.4-110.0 124.7 11.8 31.5 12.2 32 32 A V E -gH 76 84B 10 52,-1.4 52,-2.8 -2,-0.5 2,-0.3 -0.991 4.0-171.2-133.0 128.8 11.4 28.6 14.6 33 33 A L E -g 77 0B 1 43,-3.1 45,-2.2 -2,-0.4 47,-0.3 -0.803 30.7 -97.4-115.7 157.2 13.7 27.8 17.5 34 34 A E S S- 0 0 93 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.151 72.8 -50.7 -64.0 166.5 13.9 24.8 19.8 35 35 A E S S+ 0 0 116 43,-0.3 2,-0.3 45,-0.1 -1,-0.2 -0.088 81.0 136.2 -45.8 126.4 12.2 24.9 23.2 36 36 A M - 0 0 16 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.954 52.9 -95.1-162.2 167.4 13.1 28.1 25.1 37 37 A S + 0 0 94 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.768 36.7 178.1 -98.1 138.8 11.3 30.7 27.1 38 38 A L - 0 0 10 -2,-0.4 2,-0.1 2,-0.1 -2,-0.0 -0.996 25.9-118.0-138.1 142.0 10.1 34.0 25.6 39 39 A P + 0 0 95 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.354 68.7 31.5 -77.1 157.2 8.3 37.0 27.3 40 40 A G S S- 0 0 53 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.329 94.5 -35.5 95.4-176.9 4.8 38.2 26.3 41 41 A R - 0 0 134 -2,-0.1 19,-0.5 19,-0.1 2,-0.3 -0.403 55.2-176.0 -82.1 159.7 1.7 36.6 24.9 42 42 A W E -I 59 0B 134 17,-0.1 17,-0.2 -2,-0.1 15,-0.0 -0.961 14.2-154.4-150.5 166.0 1.6 33.8 22.4 43 43 A K E -I 58 0B 112 15,-1.1 15,-2.7 -2,-0.3 13,-0.0 -0.987 30.9-100.2-143.7 148.1 -0.8 31.7 20.3 44 44 A P E +I 57 0B 81 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.327 39.3 178.0 -69.5 152.3 -0.5 28.1 18.8 45 45 A K E -I 56 0B 65 11,-1.8 11,-2.7 2,-0.0 2,-0.6 -0.986 24.7-137.8-154.2 146.3 0.4 27.5 15.2 46 46 A M E -I 55 0B 119 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.946 24.1-174.8-109.3 120.9 1.0 24.5 12.9 47 47 A I E -I 54 0B 19 7,-2.0 7,-2.1 -2,-0.6 2,-0.4 -0.918 9.0-149.3-116.7 143.9 4.0 24.8 10.6 48 48 A G E +I 53 0B 48 -2,-0.4 5,-0.2 5,-0.2 2,-0.2 -0.878 25.4 144.6-119.3 148.1 4.9 22.3 7.9 49 49 A G E > -I 52 0B 17 3,-2.3 3,-2.2 -2,-0.4 2,-0.3 -0.742 64.3 -30.7-151.2-163.1 8.1 21.1 6.3 50 50 A I T 3 S+ 0 0 32 1,-0.3 101,-1.1 -2,-0.2 102,-0.9 -0.508 133.0 27.2 -62.7 121.4 9.6 18.0 4.9 51 51 A G T 3 S- 0 0 32 -2,-0.3 2,-0.3 128,-0.3 -1,-0.3 0.212 121.4 -82.5 111.6 -16.3 8.0 15.3 7.1 52 52 A G E < -I 49 0B 29 -3,-2.2 -3,-2.3 100,-0.2 99,-0.3 -0.822 66.4 -33.1 120.7-160.8 4.8 17.0 8.0 53 53 A F E -I 48 0B 139 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.711 39.6-167.7-106.5 154.2 3.6 19.5 10.6 54 54 A I E -I 47 0B 23 -7,-2.1 -7,-2.0 -2,-0.3 2,-0.5 -0.925 26.5-116.2-131.6 155.5 4.6 20.3 14.2 55 55 A K E +I 46 0B 144 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.826 39.2 172.7 -96.7 131.6 2.9 22.5 16.7 56 56 A V E -I 45 0B 3 -11,-2.7 -11,-1.8 -2,-0.5 2,-0.5 -0.850 33.8-110.7-132.4 167.9 4.8 25.6 17.9 57 57 A R E -IJ 44 77B 51 20,-3.1 20,-2.3 -2,-0.3 2,-0.7 -0.875 29.3-141.8-101.3 132.2 4.1 28.7 20.0 58 58 A Q E -IJ 43 76B 29 -15,-2.7 -15,-1.1 -2,-0.5 2,-0.5 -0.854 19.2-178.5-101.6 113.8 4.0 32.0 18.2 59 59 A Y E -IJ 42 75B 10 16,-2.3 16,-2.8 -2,-0.7 3,-0.3 -0.927 12.7-154.8-108.8 129.3 5.6 35.0 19.9 60 60 A D E + 0 0 43 -19,-0.5 14,-0.2 -2,-0.5 -19,-0.1 -0.623 64.9 21.8-103.7 163.7 5.4 38.4 18.1 61 61 A Q E S+ 0 0 144 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.926 76.4 165.4 49.0 56.6 7.5 41.5 18.3 62 62 A I E - J 0 73B 8 11,-2.7 11,-1.3 -3,-0.3 -1,-0.2 -0.907 35.7-128.5-107.1 120.1 10.6 39.7 19.6 63 63 A P E + J 0 72B 83 0, 0.0 -47,-0.5 0, 0.0 2,-0.3 -0.438 36.7 171.5 -66.1 136.4 13.9 41.5 19.5 64 64 A I E -EJ 15 71B 10 7,-2.8 7,-2.4 -49,-0.1 2,-0.4 -0.979 23.6-151.8-146.1 153.0 16.7 39.5 17.9 65 65 A E E -EJ 14 70B 56 -51,-1.7 -51,-2.3 -2,-0.3 2,-0.5 -0.993 10.3-172.2-131.7 125.5 20.2 40.0 16.8 66 66 A I E > S-EJ 13 69B 0 3,-3.0 3,-2.7 -2,-0.4 -53,-0.2 -0.970 73.7 -23.0-122.1 119.7 21.9 38.1 13.9 67 67 A C T 3 S- 0 0 57 -55,-1.8 -1,-0.1 -2,-0.5 -54,-0.1 0.871 129.8 -48.4 49.5 40.4 25.6 38.4 13.2 68 68 A G T 3 S+ 0 0 49 -56,-0.2 2,-0.6 1,-0.2 -1,-0.3 0.332 114.6 120.6 85.4 -8.4 25.5 41.8 14.9 69 69 A H E < - J 0 66B 67 -3,-2.7 -3,-3.0 24,-0.0 -1,-0.2 -0.816 54.0-145.1 -95.8 119.1 22.4 43.0 13.0 70 70 A K E + J 0 65B 155 -2,-0.6 2,-0.3 -5,-0.3 -5,-0.2 -0.480 30.1 150.6 -80.8 150.9 19.4 43.9 15.1 71 71 A A E - J 0 64B 18 -7,-2.4 -7,-2.8 -2,-0.2 2,-0.3 -0.951 29.4-139.2-164.5 172.4 15.9 43.2 14.1 72 72 A I E + J 0 63B 90 -2,-0.3 2,-0.3 -9,-0.2 -11,-0.1 -0.994 38.9 107.6-145.4 145.2 12.4 42.4 15.5 73 73 A G E - 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