==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-AUG-05 2AVV . COMPND 2 MOLECULE: POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR F.LIU,P.I.BOROSS,Y.F.WANG,J.TOZSER,J.M.LOUIS,R.W.HARRISON, . 396 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 19212.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 267 67.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 27 6.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 144 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 . 12 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 2 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 . 55 13.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 23 5.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 14 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 4 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 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 RESIDUES PER ALPHA HELIX . 0 5 3 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 . 4 4 6 0 0 4 4 4 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 2 0 0 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 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 90 0, 0.0 198,-2.3 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 176.7 34.2 -24.9 35.8 2 2 A Q E -A 198 0A 140 196,-0.2 2,-0.5 197,-0.2 196,-0.2 -0.996 360.0-156.5-123.5 114.7 37.9 -24.3 35.2 3 3 A I E -A 197 0A 32 194,-3.0 194,-2.2 -2,-0.5 2,-0.1 -0.874 2.3-150.5-102.7 117.5 38.7 -22.4 32.0 4 4 A T - 0 0 80 -2,-0.5 3,-0.2 192,-0.2 192,-0.1 -0.296 15.5-130.4 -74.6 173.9 42.1 -22.7 30.4 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.107 76.3 106.9-125.1 17.7 43.4 -19.7 28.4 6 6 A W S S+ 0 0 189 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.781 93.8 28.7 -61.2 -28.9 44.5 -21.2 25.1 7 7 A K S S- 0 0 168 -3,-0.2 0, 0.0 1,-0.0 0, 0.0 -0.806 111.3 -76.1-125.8 161.6 41.4 -19.5 23.7 8 8 A R - 0 0 115 -2,-0.3 2,-2.0 1,-0.1 119,-0.1 -0.440 51.4-115.0 -58.6 134.5 39.6 -16.3 24.7 9 9 A P + 0 0 5 0, 0.0 15,-2.8 0, 0.0 2,-0.4 -0.533 51.4 170.8 -78.3 76.7 37.5 -17.1 27.9 10 10 A L E +D 23 0B 93 -2,-2.0 2,-0.3 13,-0.2 13,-0.2 -0.708 6.6 171.1 -91.7 133.8 34.1 -16.5 26.4 11 11 A V E -D 22 0B 20 11,-3.0 11,-2.6 -2,-0.4 2,-0.4 -0.889 36.1-101.5-134.8 167.4 30.9 -17.5 28.1 12 12 A T E -D 21 0B 67 -2,-0.3 55,-2.3 9,-0.2 56,-0.3 -0.800 39.9-175.1 -90.6 133.0 27.2 -16.9 27.6 13 13 A I E -DE 20 66B 1 7,-3.3 7,-2.3 -2,-0.4 2,-0.4 -0.809 18.6-142.7-120.6 162.5 25.6 -14.2 29.7 14 14 A K E +DE 19 65B 83 51,-2.1 51,-2.5 -2,-0.3 2,-0.3 -0.993 29.0 159.4-128.5 123.3 22.0 -13.0 30.1 15 15 A I E > S+DE 18 64B 1 3,-2.1 3,-2.1 -2,-0.4 49,-0.1 -0.992 70.1 4.9-146.9 130.5 21.4 -9.3 30.5 16 16 A G T 3 S- 0 0 52 47,-0.6 3,-0.1 -2,-0.3 48,-0.1 0.729 130.7 -64.3 66.9 18.7 18.1 -7.4 29.9 17 17 A G T 3 S+ 0 0 69 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.384 114.1 117.5 83.4 -1.7 16.6 -10.9 29.3 18 18 A Q E < -D 15 0B 98 -3,-2.1 -3,-2.1 1,-0.0 2,-0.4 -0.826 63.4-127.9-108.0 139.0 18.9 -11.3 26.2 19 19 A L E +D 14 0B 122 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.646 37.6 159.6 -85.5 135.0 21.6 -13.9 25.6 20 20 A K E -D 13 0B 42 -7,-2.3 -7,-3.3 -2,-0.4 2,-0.4 -0.938 38.0-113.4-144.9 163.2 25.0 -12.6 24.6 21 21 A E E +D 12 0B 92 -2,-0.3 62,-0.3 -9,-0.2 2,-0.3 -0.846 38.5 178.1-101.5 142.6 28.6 -13.8 24.6 22 22 A A E -D 11 0B 2 -11,-2.6 -11,-3.0 -2,-0.4 2,-0.4 -0.981 28.6-112.7-149.1 159.7 31.2 -12.1 26.8 23 23 A L E -Df 10 84B 9 60,-3.1 62,-3.2 -2,-0.3 2,-0.8 -0.760 20.7-136.6 -94.6 127.1 34.7 -12.2 27.9 24 24 A L E - f 0 85B 0 -15,-2.8 2,-0.5 -2,-0.4 62,-0.2 -0.778 33.6-174.6 -81.2 114.2 35.7 -13.1 31.4 25 25 A D > - 0 0 16 60,-3.2 3,-1.5 -2,-0.8 62,-0.3 -0.885 29.1-179.6-125.6 101.7 38.4 -10.5 32.1 26 26 A T T 3 S+ 0 0 0 -2,-0.5 -1,-0.1 1,-0.3 99,-0.1 0.726 88.2 61.6 -67.4 -19.7 40.5 -10.4 35.2 27 27 A G T 3 S+ 0 0 18 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.548 87.5 88.9 -80.9 -7.9 42.2 -7.2 33.9 28 28 A A < - 0 0 16 -3,-1.5 59,-2.9 57,-0.2 60,-0.2 -0.821 58.6-163.1 -99.0 123.9 38.9 -5.3 33.8 29 29 A D S S+ 0 0 78 -2,-0.5 59,-0.9 57,-0.2 2,-0.2 0.848 77.4 24.4 -68.6 -34.9 37.9 -3.4 37.0 30 30 A D S S- 0 0 64 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.650 83.5-104.4-125.2 177.8 34.3 -3.1 35.8 31 31 A T - 0 0 0 43,-0.4 45,-2.5 -2,-0.2 2,-0.4 -0.925 34.4-177.6-113.2 126.1 31.8 -4.8 33.5 32 32 A V E -gH 76 84B 6 52,-1.7 52,-3.0 -2,-0.5 2,-0.3 -0.996 5.7-166.2-135.8 129.5 31.0 -3.2 30.1 33 33 A I E -g 77 0B 0 43,-2.7 45,-2.1 -2,-0.4 47,-0.3 -0.827 32.3 -98.0-112.2 142.7 28.5 -4.4 27.6 34 34 A E E -g 78 0B 35 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.247 64.3 -67.8 -57.2 150.5 28.2 -3.2 24.0 35 35 A E S S+ 0 0 104 43,-0.6 2,-0.3 45,-0.2 -1,-0.1 -0.094 75.2 146.5 -43.7 129.6 25.5 -0.6 23.3 36 36 A M - 0 0 24 -3,-0.1 2,-0.6 2,-0.1 -3,-0.1 -0.948 55.9 -89.4-160.7 160.8 22.0 -2.1 23.8 37 37 A S + 0 0 122 -2,-0.3 -2,-0.0 -21,-0.0 0, 0.0 -0.697 51.6 167.9 -78.9 115.1 18.6 -1.1 24.9 38 38 A L - 0 0 15 -2,-0.6 -2,-0.1 2,-0.1 39,-0.0 -0.992 29.6-129.6-131.4 128.2 18.5 -1.7 28.7 39 39 A P + 0 0 103 0, 0.0 2,-0.1 0, 0.0 -23,-0.1 -0.342 61.3 65.8 -71.3 159.0 15.7 -0.4 30.9 40 40 A G S S- 0 0 57 2,-0.0 2,-0.2 22,-0.0 -2,-0.1 -0.394 84.0 -62.2 119.9 159.0 16.5 1.5 34.1 41 41 A R + 0 0 155 -2,-0.1 19,-0.4 19,-0.1 2,-0.3 -0.491 55.1 173.4 -77.7 151.1 18.0 4.7 35.3 42 42 A W - 0 0 104 -2,-0.2 17,-0.2 17,-0.2 15,-0.0 -0.959 20.6-148.9-151.1 168.8 21.7 5.4 34.5 43 43 A K E -I 58 0B 87 15,-1.6 15,-3.2 -2,-0.3 2,-0.1 -0.991 31.7 -96.9-140.5 152.1 24.3 8.1 34.7 44 44 A P E +I 57 0B 83 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.425 43.9 167.9 -72.7 147.1 27.3 8.9 32.5 45 45 A K E -I 56 0B 79 11,-2.1 11,-3.5 -2,-0.1 2,-0.4 -0.983 28.4-131.1-149.7 153.6 30.8 7.7 33.4 46 46 A M E -I 55 0B 94 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.915 20.6-172.7-103.7 137.6 34.2 7.4 31.8 47 47 A I E -I 54 0B 19 7,-2.3 7,-2.5 -2,-0.4 2,-0.4 -0.981 12.3-143.4-127.6 145.1 36.3 4.2 31.9 48 48 A G E +I 53 0B 43 -2,-0.4 5,-0.3 5,-0.3 2,-0.2 -0.848 28.4 144.3-115.0 140.7 39.8 3.8 30.7 49 49 A G E > -I 52 0B 20 3,-2.6 3,-1.4 -2,-0.4 2,-0.2 -0.664 60.7 -36.7-142.3-156.4 41.8 1.2 29.0 50 50 A I T 3 S+ 0 0 25 1,-0.2 101,-2.0 -2,-0.2 102,-0.6 -0.508 128.9 24.7 -67.0 137.6 44.5 0.8 26.4 51 51 A G T 3 S- 0 0 36 128,-0.3 2,-0.3 100,-0.2 102,-0.3 0.236 127.1 -68.6 98.2 -19.0 44.2 3.5 23.9 52 52 A G E < -I 49 0B 29 -3,-1.4 -3,-2.6 100,-0.2 2,-0.3 -0.831 67.1 -46.7 130.6-169.1 42.3 5.9 26.1 53 53 A F E -I 48 0B 139 -2,-0.3 2,-0.3 -5,-0.3 -5,-0.3 -0.713 38.4-155.5-103.6 156.3 38.9 6.3 27.8 54 54 A I E -I 47 0B 22 -7,-2.5 -7,-2.3 -2,-0.3 2,-0.5 -0.943 20.4-120.8-127.5 149.7 35.3 5.8 26.6 55 55 A K E +I 46 0B 143 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.780 40.6 171.0 -93.0 129.8 32.1 7.3 27.8 56 56 A V E -I 45 0B 5 -11,-3.5 -11,-2.1 -2,-0.5 2,-0.6 -0.804 36.8-102.9-134.0 170.9 29.5 4.8 29.0 57 57 A R E -IJ 44 77B 89 20,-3.1 20,-2.5 -2,-0.3 2,-0.6 -0.905 31.8-146.4 -98.5 123.5 26.1 4.5 30.8 58 58 A Q E -IJ 43 76B 27 -15,-3.2 -15,-1.6 -2,-0.6 2,-0.6 -0.836 13.7-171.0 -96.1 117.1 26.4 3.3 34.4 59 59 A Y E - J 0 75B 5 16,-2.6 16,-2.4 -2,-0.6 3,-0.4 -0.926 11.1-149.3-109.4 118.9 23.5 1.2 35.5 60 60 A D E S+ 0 0 65 -2,-0.6 14,-0.2 -19,-0.4 -19,-0.1 -0.599 71.4 8.9 -84.7 146.6 23.3 0.4 39.2 61 61 A Q E S+ 0 0 164 -2,-0.2 2,-0.4 1,-0.2 -1,-0.2 0.896 80.0 168.8 56.6 52.1 21.9 -2.8 40.6 62 62 A I E - J 0 73B 21 11,-3.0 11,-2.2 -3,-0.4 2,-0.4 -0.789 34.4-125.8 -97.3 132.6 21.3 -4.7 37.3 63 63 A I E + J 0 72B 115 -2,-0.4 -47,-0.6 9,-0.2 2,-0.3 -0.655 39.1 167.5 -77.7 134.1 20.5 -8.4 37.3 64 64 A I E -EJ 15 71B 1 7,-3.0 7,-2.7 -2,-0.4 2,-0.5 -0.992 26.0-147.3-143.6 149.3 22.9 -10.4 35.2 65 65 A E E -EJ 14 70B 33 -51,-2.5 -51,-2.1 -2,-0.3 2,-0.5 -0.982 10.6-167.5-118.6 130.3 23.6 -14.1 34.7 66 66 A I E > S-EJ 13 69B 0 3,-2.6 3,-1.8 -2,-0.5 -53,-0.2 -0.966 73.2 -29.5-124.9 114.3 27.1 -15.3 33.9 67 67 A A T 3 S- 0 0 39 -55,-2.3 -1,-0.1 -2,-0.5 -54,-0.1 0.889 129.3 -44.0 40.4 52.0 27.5 -18.9 32.7 68 68 A G T 3 S+ 0 0 52 -56,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.417 115.9 116.8 82.5 3.9 24.5 -19.8 34.7 69 69 A H E < - J 0 66B 68 -3,-1.8 -3,-2.6 2,-0.0 -1,-0.2 -0.878 55.9-145.1-106.0 116.3 25.5 -17.8 37.8 70 70 A K E + J 0 65B 136 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.582 26.9 161.9 -82.4 147.7 23.1 -15.0 38.7 71 71 A A E - J 0 64B 13 -7,-2.7 -7,-3.0 -2,-0.2 2,-0.4 -0.960 31.2-138.5-152.9 165.4 24.4 -11.8 40.2 72 72 A I E + J 0 63B 98 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.998 45.7 121.8-129.1 126.4 23.3 -8.2 40.8 73 73 A S E - J 0 62B 24 -11,-2.2 -11,-3.0 -2,-0.4 2,-0.4 -0.906 62.3 -58.1-161.9-174.1 25.8 -5.5 40.2 74 74 A T E - 0 0 50 -2,-0.3 2,-0.4 -13,-0.2 -43,-0.4 -0.746 48.2-169.5 -83.6 133.7 26.8 -2.3 38.4 75 75 A V E - J 0 59B 0 -16,-2.4 -16,-2.6 -2,-0.4 2,-0.4 -0.995 8.7-151.5-128.1 132.4 26.9 -2.7 34.6 76 76 A L E -gJ 32 58B 4 -45,-2.5 -43,-2.7 -2,-0.4 2,-0.4 -0.819 7.1-161.7-102.0 141.6 28.2 -0.2 32.2 77 77 A V E +gJ 33 57B 1 -20,-2.5 -20,-3.1 -2,-0.4 -43,-0.2 -0.994 34.8 103.9-127.2 127.6 26.9 0.1 28.6 78 78 A G E S-g 34 0B 1 -45,-2.1 2,-2.0 -2,-0.4 -43,-0.6 -0.942 76.6 -43.7-177.6-171.0 28.9 1.9 25.8 79 79 A P + 0 0 44 0, 0.0 -45,-0.1 0, 0.0 127,-0.1 -0.295 69.5 150.7 -83.1 53.4 31.0 1.6 22.7 80 80 A T - 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