==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 10-FEB-05 1YT9 . COMPND 2 MOLECULE: POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR C.M.YEUNG,L.L.KLEIN,C.A.FLENTGE,J.T.RANDOLPH,C.ZHAO,M.SUN, . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10066.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 132 66.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 7.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 69 34.8 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 . 5 2.5 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 . 28 14.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 4.0 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 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 RESIDUES PER ALPHA HELIX . 0 2 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 PARALLEL BRIDGES PER LADDER . 2 2 4 1 1 2 1 1 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 0 105 0, 0.0 198,-1.2 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 119.6 30.1 39.7 4.1 2 2 A Q E -A 198 0A 139 196,-0.2 2,-0.6 194,-0.0 196,-0.2 -0.878 360.0-159.3-100.0 124.0 29.8 37.0 1.5 3 3 A I E -A 197 0A 32 194,-3.5 194,-3.0 -2,-0.6 2,-0.1 -0.918 8.8-150.2-105.1 119.6 28.5 33.7 2.9 4 4 A T - 0 0 68 -2,-0.6 3,-0.2 192,-0.2 192,-0.1 -0.359 10.7-138.2 -82.1 168.2 29.3 30.7 0.7 5 5 A L S S+ 0 0 3 190,-0.4 186,-0.2 1,-0.1 185,-0.1 -0.056 72.0 108.0-118.9 31.5 27.2 27.6 0.6 6 6 A W S S+ 0 0 183 2,-0.1 2,-0.2 184,-0.1 -1,-0.1 0.735 94.1 19.1 -77.0 -23.6 29.8 24.9 0.7 7 7 A Q S S- 0 0 133 -3,-0.2 180,-0.0 180,-0.0 0, 0.0 -0.761 112.7 -62.6-132.4 178.4 28.7 24.2 4.2 8 8 A R - 0 0 141 -2,-0.2 2,-2.4 1,-0.1 119,-0.1 -0.480 51.8-119.5 -67.8 133.1 25.5 25.0 6.2 9 9 A P + 0 0 5 0, 0.0 15,-3.1 0, 0.0 2,-0.5 -0.416 50.2 166.9 -74.6 69.7 25.1 28.8 6.6 10 10 A L E +D 23 0B 69 -2,-2.4 2,-0.3 13,-0.2 13,-0.2 -0.747 6.8 172.6 -90.6 125.8 25.3 28.8 10.4 11 11 A V E -D 22 0B 17 11,-2.2 11,-1.4 -2,-0.5 9,-0.0 -0.979 34.8-106.1-133.9 147.6 25.7 32.1 12.1 12 12 A T E -D 21 0B 91 -2,-0.3 55,-1.5 9,-0.2 2,-0.3 -0.339 38.8-175.9 -67.5 148.8 25.6 33.1 15.8 13 13 A I E -DE 20 66B 1 7,-2.3 7,-1.7 53,-0.2 2,-0.4 -0.940 16.6-143.8-141.2 161.1 22.5 35.0 17.0 14 14 A K E +DE 19 65B 93 51,-0.9 51,-2.4 -2,-0.3 2,-0.3 -0.996 26.4 158.3-132.5 129.0 21.5 36.6 20.2 15 15 A I E > +D 18 0B 4 3,-1.3 3,-1.3 -2,-0.4 49,-0.1 -0.972 65.7 4.0-151.4 131.3 17.9 36.6 21.5 16 16 A G T 3 S- 0 0 57 47,-0.4 3,-0.1 -2,-0.3 -1,-0.1 0.923 126.6 -61.3 61.0 43.6 16.6 37.1 25.0 17 17 A G T 3 S+ 0 0 62 1,-0.2 -1,-0.3 -3,-0.1 2,-0.0 0.193 118.4 110.4 70.9 -21.4 20.0 37.7 26.5 18 18 A Q E < -D 15 0B 86 -3,-1.3 -3,-1.3 1,-0.0 2,-0.4 -0.230 63.6-134.8 -81.0 168.9 20.9 34.2 25.3 19 19 A L E +D 14 0B 120 -5,-0.2 2,-0.3 -3,-0.1 -5,-0.2 -0.970 29.4 168.2-131.1 119.2 23.3 33.2 22.5 20 20 A K E -D 13 0B 54 -7,-1.7 -7,-2.3 -2,-0.4 2,-0.3 -0.920 32.9-123.0-132.2 155.6 22.3 30.5 20.0 21 21 A E E +D 12 0B 122 -2,-0.3 2,-0.3 -9,-0.2 62,-0.2 -0.702 36.2 178.9 -91.7 143.6 23.5 29.1 16.7 22 22 A A E -D 11 0B 0 -11,-1.4 -11,-2.2 -2,-0.3 2,-0.5 -0.986 29.7-115.3-154.2 143.9 21.0 29.1 13.8 23 23 A L E -Df 10 84B 14 60,-3.5 62,-2.0 -2,-0.3 2,-0.4 -0.623 27.7-127.6 -80.5 120.6 20.8 28.2 10.2 24 24 A L E - f 0 85B 0 -15,-3.1 2,-0.4 -2,-0.5 62,-0.1 -0.560 36.7-174.8 -66.1 123.0 20.3 31.0 7.8 25 25 A D > + 0 0 15 60,-2.1 3,-1.6 -2,-0.4 62,-0.3 -0.814 29.9 172.7-133.6 98.1 17.3 29.7 5.8 26 26 A T T 3 S+ 0 0 1 -2,-0.4 -1,-0.1 1,-0.3 61,-0.1 0.677 89.2 61.6 -70.4 -18.8 15.9 31.6 2.8 27 27 A G T 3 S+ 0 0 23 -3,-0.1 2,-0.6 81,-0.1 -1,-0.3 0.277 86.6 91.9 -89.1 9.2 13.7 28.5 2.4 28 28 A A < - 0 0 10 -3,-1.6 59,-2.3 57,-0.2 60,-0.3 -0.916 64.1-157.3-110.9 110.6 12.2 29.2 5.8 29 29 A D S S+ 0 0 67 -2,-0.6 59,-0.9 57,-0.2 2,-0.3 0.894 78.5 7.4 -46.6 -49.9 9.1 31.4 5.7 30 30 A D S S- 0 0 57 56,-0.2 2,-0.3 57,-0.2 45,-0.1 -0.869 85.1 -93.0-135.2 166.2 9.6 32.5 9.2 31 31 A T + 0 0 0 43,-0.5 45,-3.1 -2,-0.3 2,-0.3 -0.592 42.9 174.6 -79.4 138.8 12.1 32.2 12.1 32 32 A V E -gH 76 84B 9 52,-2.2 52,-2.1 -2,-0.3 45,-0.2 -0.911 6.2-173.9-151.0 120.9 11.6 29.3 14.4 33 33 A L E -g 77 0B 0 43,-3.3 45,-1.9 -2,-0.3 47,-0.5 -0.499 32.7 -90.9-106.5 176.9 13.7 28.2 17.3 34 34 A E E S-g 78 0B 89 43,-0.2 -1,-0.1 1,-0.2 49,-0.0 -0.523 74.4 -49.3 -85.6 155.9 13.7 25.2 19.7 35 35 A E S S+ 0 0 124 43,-0.6 2,-0.3 -2,-0.2 -1,-0.2 0.153 79.3 141.0 -30.5 123.9 11.8 25.4 23.0 36 36 A M - 0 0 16 -3,-0.1 2,-0.6 2,-0.0 -3,-0.1 -0.948 54.4 -99.0-163.9 154.7 12.8 28.5 24.9 37 37 A S - 0 0 105 -2,-0.3 -2,-0.0 -21,-0.1 0, 0.0 -0.742 40.3-176.0 -88.8 118.9 10.9 31.1 27.0 38 38 A L - 0 0 11 -2,-0.6 24,-0.0 2,-0.1 39,-0.0 -0.874 22.3-117.6-114.5 147.0 10.0 34.3 25.2 39 39 A P S S+ 0 0 90 0, 0.0 2,-0.1 0, 0.0 -1,-0.1 -0.171 71.4 36.8 -74.1 171.1 8.3 37.4 26.6 40 40 A G S S- 0 0 73 19,-0.1 2,-0.2 2,-0.0 -2,-0.1 -0.288 96.1 -54.0 84.0-171.7 4.9 38.8 25.6 41 41 A R - 0 0 189 -2,-0.1 19,-0.4 19,-0.1 2,-0.3 -0.472 54.3-156.3 -97.5 175.4 1.8 36.9 24.7 42 42 A W - 0 0 94 -2,-0.2 17,-0.2 17,-0.1 -2,-0.0 -0.996 15.2-146.2-155.5 154.8 1.6 34.3 22.0 43 43 A K E -I 58 0B 116 15,-1.4 15,-1.8 -2,-0.3 2,-0.1 -0.959 32.1-116.9-121.1 136.0 -0.8 32.5 19.6 44 44 A P E +I 57 0B 70 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.419 38.3 173.5 -73.4 153.8 -0.3 28.9 18.7 45 45 A K E -I 56 0B 97 11,-2.5 11,-3.3 -2,-0.1 2,-0.3 -0.967 22.5-134.9-152.7 162.3 0.4 27.9 15.1 46 46 A M E -I 55 0B 99 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.929 14.0-158.2-124.1 148.0 1.3 24.9 13.0 47 47 A I E -I 54 0B 34 7,-1.8 7,-0.7 -2,-0.3 -2,-0.0 -0.980 3.4-163.4-133.8 128.1 4.0 24.5 10.3 48 48 A G + 0 0 28 -2,-0.4 2,-0.2 5,-0.2 5,-0.2 0.161 31.0 113.2 -85.7-155.7 4.4 22.0 7.5 49 49 A G S > S+ 0 0 29 101,-0.1 3,-3.4 100,-0.1 2,-0.2 -0.671 73.8 0.5 118.4-175.3 7.3 21.0 5.3 50 50 A I T 3 S+ 0 0 25 1,-0.3 101,-1.9 -2,-0.2 102,-0.5 -0.234 136.6 16.0 -50.7 109.2 9.3 17.8 4.9 51 51 A G T 3 S- 0 0 32 128,-0.4 2,-0.4 100,-0.2 -1,-0.3 0.191 119.8 -91.3 110.4 -14.8 7.9 15.3 7.3 52 52 A G < - 0 0 25 -3,-3.4 2,-0.2 100,-0.1 98,-0.1 -0.922 65.9 -30.4 117.2-139.3 4.6 17.1 8.0 53 53 A F - 0 0 142 -2,-0.4 2,-0.3 98,-0.2 -5,-0.2 -0.697 36.6-160.8-120.6 172.2 3.8 19.7 10.6 54 54 A I E -I 47 0B 18 -7,-0.7 -7,-1.8 -2,-0.2 2,-0.4 -0.982 26.5-117.9-150.7 141.9 4.7 20.8 14.2 55 55 A K E +I 46 0B 137 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.679 41.3 174.9 -82.5 134.9 2.8 22.9 16.7 56 56 A V E -I 45 0B 3 -11,-3.3 -11,-2.5 -2,-0.4 2,-0.4 -0.945 32.6-116.8-139.5 158.4 4.8 26.0 17.7 57 57 A R E -IJ 44 77B 52 20,-3.0 20,-2.3 -2,-0.3 2,-0.7 -0.805 26.7-145.2 -95.6 137.5 4.2 29.1 19.8 58 58 A Q E -IJ 43 76B 20 -15,-1.8 -15,-1.4 -2,-0.4 2,-0.5 -0.859 17.9-179.2-112.1 101.7 4.3 32.3 17.8 59 59 A Y E - J 0 75B 10 16,-2.3 16,-3.5 -2,-0.7 3,-0.2 -0.832 13.5-161.8 -95.9 132.1 5.7 35.3 19.6 60 60 A D + 0 0 72 -2,-0.5 13,-0.1 -19,-0.4 -19,-0.1 -0.513 62.2 34.9-106.0 179.1 5.7 38.5 17.5 61 61 A Q S S+ 0 0 175 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.907 78.5 158.7 39.5 63.3 7.6 41.8 17.9 62 62 A I - 0 0 12 11,-0.3 11,-1.2 -3,-0.2 2,-0.2 -0.960 37.3-130.2-118.5 129.4 10.8 40.0 19.1 63 63 A L E - K 0 72B 97 -2,-0.4 -47,-0.4 9,-0.2 2,-0.3 -0.531 27.8-175.8 -79.6 142.9 14.3 41.6 19.0 64 64 A I E - K 0 71B 2 7,-2.8 7,-2.7 -2,-0.2 2,-0.6 -0.993 23.3-144.6-142.5 148.8 17.2 39.5 17.5 65 65 A E E +EK 14 70B 57 -51,-2.4 -51,-0.9 -2,-0.3 2,-0.6 -0.819 21.4 178.2-115.4 91.0 20.9 39.9 17.0 66 66 A I E > S-EK 13 69B 0 3,-2.2 3,-2.1 -2,-0.6 -53,-0.2 -0.834 75.9 -30.5 -97.4 118.4 22.2 38.3 13.8 67 67 A C T 3 S- 0 0 64 -55,-1.5 -1,-0.2 -2,-0.6 3,-0.1 0.654 124.0 -53.6 51.9 15.3 25.9 38.7 13.2 68 68 A G T 3 S+ 0 0 44 1,-0.4 -1,-0.3 -56,-0.1 2,-0.2 -0.089 113.9 118.5 111.1 -34.8 25.6 42.0 15.0 69 69 A H E < -K 66 0B 70 -3,-2.1 -3,-2.2 -4,-0.1 2,-0.5 -0.478 62.3-133.2 -67.3 132.7 22.8 43.4 12.9 70 70 A K E +K 65 0B 159 -5,-0.2 2,-0.3 -2,-0.2 -5,-0.2 -0.771 29.1 177.1 -92.2 130.0 19.6 44.0 15.0 71 71 A A E -K 64 0B 3 -7,-2.7 -7,-2.8 -2,-0.5 2,-0.3 -0.930 11.7-156.4-129.6 153.4 16.3 42.7 13.5 72 72 A I E +K 63 0B 95 -2,-0.3 2,-0.2 -9,-0.2 -9,-0.2 -0.973 37.3 77.2-133.5 146.7 12.7 42.7 14.8 73 73 A G S S- 0 0 17 -11,-1.2 -11,-0.3 -2,-0.3 -14,-0.1 -0.694 71.5 -15.7 141.7 166.4 9.7 40.6 14.1 74 74 A T - 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