==== 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 20-JUN-05 2A1E . COMPND 2 MOLECULE: POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR N.DEMITRI,S.GEREMIA,L.RANDACCIO,J.WUERGES,F.BENEDETTI,F.BERT . 198 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9920.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 127 64.1 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 . 73 36.9 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 . 22 11.1 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 2 3 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 76 0, 0.0 198,-2.1 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 165.0 -0.2 38.8 17.8 2 2 A Q E -A 198 0A 129 196,-0.2 2,-0.6 197,-0.2 196,-0.2 -0.973 360.0-161.9-112.3 120.3 -0.2 36.6 20.8 3 3 A I E -A 197 0A 30 194,-3.7 194,-2.6 -2,-0.6 2,-0.1 -0.913 3.7-151.8-108.2 115.2 0.7 33.1 19.9 4 4 A T - 0 0 64 -2,-0.6 3,-0.3 192,-0.2 192,-0.1 -0.376 13.8-133.2 -79.8 165.8 -0.2 30.3 22.3 5 5 A L S S+ 0 0 1 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.152 75.2 106.7-117.2 20.5 2.0 27.2 22.2 6 6 A W S S+ 0 0 194 184,-0.1 2,-0.3 185,-0.1 -1,-0.2 0.810 93.6 27.2 -63.0 -31.2 -0.5 24.5 22.2 7 7 A K S S- 0 0 164 -3,-0.3 0, 0.0 1,-0.0 0, 0.0 -0.796 110.4 -74.6-122.0 165.2 0.5 24.0 18.6 8 8 A R - 0 0 132 -2,-0.3 2,-2.2 1,-0.1 119,-0.1 -0.407 47.8-118.2 -61.1 135.4 3.7 24.7 16.7 9 9 A P + 0 0 4 0, 0.0 15,-2.8 0, 0.0 2,-0.4 -0.462 51.2 166.2 -79.9 74.5 4.1 28.4 16.2 10 10 A L E +D 23 0B 64 -2,-2.2 2,-0.3 13,-0.2 13,-0.2 -0.775 6.9 172.9 -91.8 134.1 4.1 28.2 12.4 11 11 A V E -D 22 0B 21 11,-2.8 11,-2.9 -2,-0.4 2,-0.4 -0.886 35.5-101.1-135.2 164.8 3.6 31.3 10.4 12 12 A T E -D 21 0B 88 -2,-0.3 55,-2.6 9,-0.2 2,-0.3 -0.728 40.0-175.3 -85.5 134.1 3.7 32.4 6.8 13 13 A I E -DE 20 66B 1 7,-3.3 7,-2.3 -2,-0.4 2,-0.4 -0.863 18.5-144.8-121.0 161.0 6.9 34.1 5.7 14 14 A K E +DE 19 65B 100 51,-2.3 51,-2.8 -2,-0.3 2,-0.3 -0.994 29.4 159.7-125.3 124.5 7.9 35.7 2.5 15 15 A I E > +DE 18 64B 2 3,-2.5 3,-2.5 -2,-0.4 49,-0.1 -0.992 66.3 0.1-143.9 133.9 11.6 35.4 1.5 16 16 A G T 3 S- 0 0 46 47,-0.6 21,-0.1 -2,-0.3 3,-0.1 0.819 129.9 -57.9 59.6 30.8 13.1 35.8 -1.9 17 17 A G T 3 S+ 0 0 67 1,-0.2 2,-0.4 0, 0.0 -1,-0.3 0.520 116.7 115.0 76.3 3.9 9.8 36.5 -3.4 18 18 A Q E < -D 15 0B 79 -3,-2.5 -3,-2.5 2,-0.0 2,-0.4 -0.903 61.8-136.3-115.6 135.7 8.5 33.1 -2.1 19 19 A L E +D 14 0B 129 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.733 34.9 164.4 -85.5 132.1 5.9 32.3 0.5 20 20 A K E -D 13 0B 31 -7,-2.3 -7,-3.3 -2,-0.4 2,-0.4 -0.938 37.6-116.8-141.1 160.1 6.8 29.6 2.9 21 21 A E E +D 12 0B 126 -2,-0.3 62,-0.4 -9,-0.2 2,-0.3 -0.863 39.2 178.2 -96.5 137.0 5.7 28.3 6.2 22 22 A A E -D 11 0B 0 -11,-2.9 -11,-2.8 -2,-0.4 2,-0.5 -0.987 28.1-118.3-144.6 156.2 8.2 28.6 9.1 23 23 A L E -Df 10 84B 12 60,-3.1 62,-2.9 -2,-0.3 2,-0.8 -0.777 21.6-132.8 -94.6 123.4 8.5 27.9 12.8 24 24 A L E - f 0 85B 0 -15,-2.8 2,-0.6 -2,-0.5 62,-0.2 -0.707 34.1-173.0 -78.3 111.5 9.0 30.7 15.2 25 25 A D > - 0 0 18 60,-3.0 3,-1.7 -2,-0.8 62,-0.3 -0.843 27.6-179.3-124.7 99.3 11.8 29.3 17.3 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.705 87.3 59.6 -67.7 -19.6 13.1 31.0 20.4 27 27 A G T 3 S+ 0 0 14 81,-0.1 2,-0.5 96,-0.1 -1,-0.3 0.550 87.2 91.0 -83.5 -8.1 15.6 28.2 20.8 28 28 A A < - 0 0 17 -3,-1.7 59,-3.2 57,-0.2 60,-0.2 -0.755 55.6-164.9 -94.6 128.6 17.3 28.9 17.5 29 29 A D S S+ 0 0 55 -2,-0.5 59,-0.9 57,-0.2 2,-0.3 0.849 77.7 35.4 -69.7 -34.5 20.2 31.3 17.3 30 30 A D S S- 0 0 39 57,-0.1 2,-0.5 56,-0.1 57,-0.2 -0.755 80.6-114.7-121.9 164.0 19.9 31.5 13.6 31 31 A T - 0 0 0 43,-0.5 45,-2.8 -2,-0.3 2,-0.4 -0.863 32.7-172.3-102.4 129.6 17.3 31.4 10.8 32 32 A V E -gH 76 84B 8 52,-1.8 52,-3.2 -2,-0.5 2,-0.3 -0.989 3.5-175.0-135.1 124.7 17.5 28.4 8.6 33 33 A I E -g 77 0B 0 43,-3.0 45,-2.2 -2,-0.4 47,-0.2 -0.902 30.8-102.1-118.8 146.5 15.4 27.9 5.4 34 34 A E - 0 0 74 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.099 68.5 -54.6 -58.6 162.7 15.2 25.0 3.1 35 35 A E S S+ 0 0 111 43,-0.3 2,-0.3 45,-0.1 -1,-0.2 -0.085 80.6 131.8 -53.2 130.4 17.0 25.1 -0.1 36 36 A M - 0 0 15 -3,-0.2 2,-0.4 2,-0.0 -3,-0.1 -0.946 56.3 -89.5-164.4 164.9 16.2 28.1 -2.2 37 37 A S + 0 0 100 -2,-0.3 0, 0.0 -21,-0.1 0, 0.0 -0.735 41.6 175.5 -85.9 137.5 18.1 30.9 -4.1 38 38 A L - 0 0 20 -2,-0.4 2,-0.1 2,-0.1 24,-0.0 -0.961 29.6-104.3-136.3 156.4 19.1 34.0 -2.4 39 39 A P S S+ 0 0 92 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.421 71.6 21.6 -80.3 155.7 21.1 37.0 -3.6 40 40 A G S S- 0 0 64 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.169 93.9 -37.8 93.2-175.5 24.6 37.9 -2.8 41 41 A R - 0 0 242 -2,-0.1 19,-0.5 19,-0.0 2,-0.3 -0.386 54.8-166.8 -80.8 155.8 27.7 36.1 -1.6 42 42 A W E -I 59 0B 127 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.924 10.9-154.0-136.7 169.1 27.5 33.3 1.0 43 43 A K E -I 58 0B 114 15,-1.3 15,-3.2 -2,-0.3 2,-0.1 -0.980 30.5-102.5-140.8 148.7 29.8 31.3 3.1 44 44 A P E +I 57 0B 82 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.381 38.2 177.2 -75.8 154.4 29.4 27.9 4.5 45 45 A K E -I 56 0B 73 11,-2.2 11,-3.0 -2,-0.1 2,-0.5 -0.980 24.2-137.6-148.1 148.4 28.4 27.2 8.1 46 46 A M E -I 55 0B 113 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.970 21.8-167.5-109.3 129.6 27.7 24.1 10.2 47 47 A I E -I 54 0B 16 7,-2.6 7,-2.1 -2,-0.5 2,-0.3 -0.920 6.8-155.0-114.8 146.5 24.7 24.4 12.5 48 48 A G E +I 53 0B 42 -2,-0.4 2,-0.3 5,-0.2 5,-0.2 -0.778 29.2 116.5-120.6 164.5 24.0 22.0 15.3 49 49 A G E > -I 52 0B 21 3,-1.7 3,-2.2 -2,-0.3 2,-0.1 -0.909 67.4 -1.0 175.1-151.9 21.1 20.7 17.3 50 50 A I T 3 S+ 0 0 20 -2,-0.3 101,-2.7 1,-0.3 102,-0.6 -0.398 131.6 17.1 -59.8 131.1 19.3 17.5 17.9 51 51 A G T 3 S- 0 0 28 128,-0.4 2,-0.3 100,-0.2 -1,-0.3 0.472 121.7 -86.8 86.6 -2.9 20.8 14.8 15.8 52 52 A G E < -I 49 0B 26 -3,-2.2 -3,-1.7 100,-0.1 2,-0.3 -0.792 67.7 -25.9 111.2-147.1 24.0 16.7 15.1 53 53 A F E -I 48 0B 136 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.828 36.4-165.1-117.9 151.8 25.0 19.1 12.5 54 54 A I E -I 47 0B 24 -7,-2.1 -7,-2.6 -2,-0.3 2,-0.4 -0.947 25.6-120.6-127.8 155.0 24.2 20.1 9.0 55 55 A K E +I 46 0B 144 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.763 38.5 171.9 -91.5 134.8 26.1 22.3 6.5 56 56 A V E -I 45 0B 4 -11,-3.0 -11,-2.2 -2,-0.4 2,-0.5 -0.857 33.4-111.4-135.8 165.9 24.3 25.4 5.3 57 57 A R E -IJ 44 77B 49 20,-2.8 20,-2.2 -2,-0.3 2,-0.6 -0.929 27.9-141.8-103.5 130.5 25.0 28.5 3.3 58 58 A Q E -IJ 43 76B 32 -15,-3.2 -15,-1.3 -2,-0.5 2,-0.4 -0.823 19.4-178.5 -96.7 118.2 25.1 31.8 5.1 59 59 A Y E -IJ 42 75B 12 16,-2.5 16,-2.8 -2,-0.6 3,-0.3 -0.929 14.0-147.7-112.7 137.2 23.6 34.8 3.3 60 60 A D E + 0 0 76 -19,-0.5 14,-0.2 -2,-0.4 -19,-0.0 -0.675 67.7 21.8-104.9 160.9 23.6 38.2 5.0 61 61 A Q E S+ 0 0 135 -2,-0.2 2,-0.5 1,-0.2 -1,-0.2 0.889 77.9 159.4 54.4 47.7 21.3 41.2 4.8 62 62 A I E - J 0 73B 8 11,-2.8 11,-2.1 -3,-0.3 2,-0.5 -0.844 34.6-136.3 -98.7 135.7 18.3 39.2 3.7 63 63 A I E - J 0 72B 98 -2,-0.5 -47,-0.6 9,-0.2 2,-0.4 -0.775 22.5-180.0 -93.5 132.0 14.8 40.5 4.1 64 64 A I E -EJ 15 71B 0 7,-2.7 7,-2.0 -2,-0.5 2,-0.6 -0.999 21.3-144.6-127.1 131.3 12.1 38.2 5.4 65 65 A E E -EJ 14 70B 63 -51,-2.8 -51,-2.3 -2,-0.4 2,-0.6 -0.900 19.9-164.1 -93.0 121.2 8.5 39.2 6.0 66 66 A I E > -EJ 13 69B 0 3,-2.9 3,-2.1 -2,-0.6 -53,-0.2 -0.951 68.4 -33.4-114.8 106.9 7.4 37.2 9.0 67 67 A A T 3 S- 0 0 42 -55,-2.6 -1,-0.2 -2,-0.6 -54,-0.1 0.878 128.7 -42.9 47.6 40.1 3.6 37.2 9.5 68 68 A G T 3 S+ 0 0 54 -56,-0.3 2,-0.6 1,-0.2 -1,-0.3 0.401 119.0 110.4 94.8 -6.0 3.5 40.6 8.0 69 69 A H E < - J 0 66B 67 -3,-2.1 -3,-2.9 2,-0.0 2,-0.2 -0.913 61.4-139.0-109.3 116.4 6.5 42.0 9.9 70 70 A K E + J 0 65B 154 -2,-0.6 2,-0.3 -5,-0.2 -5,-0.2 -0.563 26.1 172.8 -81.5 142.4 9.6 42.7 7.8 71 71 A A E - J 0 64B 7 -7,-2.0 -7,-2.7 -2,-0.2 2,-0.4 -0.967 16.8-152.1-139.2 147.3 13.0 41.8 9.3 72 72 A I E + J 0 63B 66 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.977 40.0 96.0-123.2 142.6 16.5 41.9 7.8 73 73 A G E - 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