==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-DEC-2009 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-DEC-01 1KJ7 . COMPND 2 MOLECULE: POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR C.A.SCHIFFER . 206 3 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9256.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 139 67.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 7.8 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 76 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 2.9 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 12.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 14 6.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 2.9 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 . 2 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 . 3 4 2 0 0 2 2 2 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 0 1 1 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 95 0, 0.0 198,-1.7 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 175.9 12.1 15.6 28.6 2 2 A Q E -A 198 0A 126 196,-0.2 2,-0.6 194,-0.0 196,-0.2 -0.959 360.0-160.5-113.8 118.8 8.5 15.3 27.7 3 3 A I E -A 197 0A 33 194,-3.0 194,-2.4 -2,-0.5 2,-0.1 -0.881 4.4-151.5-105.7 121.9 7.8 14.3 24.1 4 4 A T - 0 0 67 -2,-0.6 3,-0.2 192,-0.2 192,-0.1 -0.396 12.5-134.8 -81.9 166.2 4.4 15.1 22.5 5 5 A L S S+ 0 0 2 190,-0.4 186,-0.2 1,-0.2 185,-0.1 0.046 70.9 111.4-114.8 27.2 3.0 12.9 19.7 6 6 A W S S+ 0 0 199 185,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.857 94.1 22.8 -65.3 -32.3 1.7 15.4 17.2 7 7 A K S S- 0 0 65 -3,-0.2 -1,-0.0 1,-0.1 0, 0.0 -0.818 111.2 -70.4-128.1 167.0 4.6 14.1 15.1 8 8 A R - 0 0 115 -2,-0.3 2,-2.0 1,-0.1 119,-0.1 -0.343 51.1-118.9 -56.7 133.5 6.6 10.9 15.0 9 9 A P + 0 0 4 0, 0.0 15,-2.7 0, 0.0 2,-0.5 -0.525 48.2 168.3 -79.6 78.2 8.9 10.8 18.1 10 10 A L E +D 23 0B 97 -2,-2.0 2,-0.2 13,-0.2 13,-0.2 -0.797 5.6 170.7 -92.6 129.9 12.2 10.8 16.2 11 11 A V E -D 22 0B 16 11,-2.9 11,-2.9 -2,-0.5 2,-0.4 -0.786 34.9 -93.4-131.7 176.7 15.3 11.4 18.4 12 12 A T E -D 21 0B 94 -2,-0.2 55,-2.0 9,-0.2 2,-0.3 -0.796 36.9-176.9 -97.8 132.2 19.0 11.2 18.1 13 13 A I E -DE 20 66B 1 7,-2.7 7,-2.3 -2,-0.4 2,-0.5 -0.939 16.3-142.0-126.1 148.9 20.9 8.1 19.1 14 14 A R E +DE 19 65B 39 51,-2.4 51,-2.1 -2,-0.3 2,-0.4 -0.950 21.4 171.9-115.7 124.1 24.7 7.5 19.2 15 15 A I E > S-D 18 0B 8 3,-3.5 3,-2.5 -2,-0.5 49,-0.1 -0.948 70.1 -31.0-134.5 113.5 26.2 4.2 18.2 16 16 A G T 3 S- 0 0 76 -2,-0.4 3,-0.1 47,-0.4 -1,-0.1 0.876 124.9 -45.3 47.9 48.9 29.9 3.6 17.8 17 17 A G T 3 S+ 0 0 83 1,-0.3 2,-0.4 0, 0.0 -1,-0.3 0.382 117.1 121.3 79.1 -7.3 30.6 7.2 16.7 18 18 A Q E < -D 15 0B 125 -3,-2.5 -3,-3.5 2,-0.0 2,-0.5 -0.774 49.9-157.1 -92.8 132.4 27.6 6.9 14.4 19 19 A L E +D 14 0B 88 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.947 22.8 163.1-112.3 123.9 24.8 9.4 14.9 20 20 A K E -D 13 0B 35 -7,-2.3 -7,-2.7 -2,-0.5 2,-0.5 -0.879 38.5-111.3-136.6 167.8 21.4 8.4 13.6 21 21 A E E -D 12 0B 57 -2,-0.3 62,-0.5 -9,-0.2 2,-0.3 -0.874 38.3-174.6-101.8 130.4 17.7 9.3 13.9 22 22 A A E -D 11 0B 0 -11,-2.9 -11,-2.9 -2,-0.5 2,-0.5 -0.960 25.2-121.8-132.3 148.8 15.5 6.8 15.6 23 23 A L E -Df 10 84B 9 60,-3.0 62,-2.9 -2,-0.3 2,-0.9 -0.738 22.3-133.7 -88.4 121.3 11.8 6.3 16.4 24 24 A L E - f 0 85B 0 -15,-2.7 2,-0.6 -2,-0.5 62,-0.1 -0.665 35.2-173.9 -73.5 108.6 10.8 5.9 20.1 25 25 A N > + 0 0 0 60,-2.5 3,-1.5 -2,-0.9 62,-0.3 -0.847 30.2 175.3-120.5 100.5 8.5 3.0 19.7 26 26 A T T 3 S+ 0 0 1 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.671 85.0 66.2 -71.2 -15.1 6.5 1.6 22.6 27 27 A G T 3 S+ 0 0 2 -3,-0.1 177,-2.7 81,-0.1 2,-0.4 0.308 89.4 79.3 -88.7 9.2 4.9 -0.8 20.1 28 28 A A B < -L 203 0C 0 -3,-1.5 59,-2.8 175,-0.3 175,-0.2 -0.973 59.9-161.1-120.7 130.6 8.2 -2.6 19.6 29 29 A D S S+ 0 0 20 173,-1.3 59,-1.4 -2,-0.4 2,-0.2 0.873 79.9 31.8 -72.8 -38.6 9.6 -5.2 22.0 30 30 A D S S- 0 0 25 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.627 84.7-105.6-116.2 174.7 13.1 -4.9 20.6 31 31 A T - 0 0 1 43,-0.4 45,-2.9 -2,-0.2 2,-0.5 -0.877 32.4-171.9-103.2 128.2 15.4 -2.3 19.0 32 32 A V E -gH 76 84B 0 52,-1.9 52,-3.1 -2,-0.5 2,-0.3 -0.964 1.5-173.8-127.3 114.9 15.9 -2.6 15.2 33 33 A L E -g 77 0B 3 43,-2.9 45,-1.9 -2,-0.5 47,-0.2 -0.750 30.9-102.3-105.5 153.4 18.4 -0.4 13.4 34 34 A E - 0 0 104 -2,-0.3 -1,-0.1 43,-0.2 49,-0.0 -0.131 66.6 -51.5 -66.1 170.8 18.9 -0.3 9.7 35 35 A E S S+ 0 0 75 43,-0.3 2,-0.3 45,-0.1 -1,-0.2 -0.129 78.0 137.9 -47.2 129.7 21.8 -2.1 8.0 36 36 A M - 0 0 41 -3,-0.1 2,-0.4 2,-0.0 -3,-0.1 -0.916 52.5-104.4-170.8 148.7 25.2 -1.2 9.6 37 37 A N + 0 0 150 -2,-0.3 -2,-0.0 40,-0.0 0, 0.0 -0.699 36.3 178.5 -88.4 130.7 28.2 -3.2 10.6 38 38 A L - 0 0 25 -2,-0.4 2,-0.1 2,-0.1 -2,-0.0 -0.958 27.6-117.3-127.1 146.2 28.8 -3.9 14.3 39 39 A P S S+ 0 0 111 0, 0.0 2,-0.1 0, 0.0 0, 0.0 -0.393 70.6 48.2 -78.8 162.4 31.6 -5.9 15.8 40 40 A G S S- 0 0 62 -2,-0.1 -2,-0.1 19,-0.1 2,-0.1 -0.224 91.7 -50.6 99.9 169.3 31.0 -9.1 17.7 41 41 A K - 0 0 92 -2,-0.1 19,-0.5 19,-0.0 2,-0.3 -0.377 51.9-166.9 -77.7 160.1 29.1 -12.3 17.1 42 42 A W - 0 0 122 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.994 14.7-137.9-151.1 144.7 25.4 -12.3 16.1 43 43 A K E -I 58 0B 49 15,-1.4 15,-2.4 -2,-0.3 2,-0.1 -0.839 28.9-114.1-105.2 140.6 22.6 -14.8 16.0 44 44 A P E +I 57 0B 88 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.451 42.5 177.5 -70.4 144.3 20.1 -14.9 13.0 45 45 A K E -I 56 0B 66 11,-2.2 11,-3.3 -2,-0.1 2,-0.5 -0.998 28.9-139.3-152.5 152.7 16.5 -14.0 13.9 46 46 A M E -I 55 0B 114 -2,-0.3 2,-0.4 9,-0.2 9,-0.2 -0.959 23.2-174.8-113.5 123.2 13.1 -13.5 12.4 47 47 A I E -I 54 0B 0 7,-2.5 7,-2.2 -2,-0.5 2,-0.3 -0.919 7.4-156.6-119.1 147.9 11.0 -10.6 13.7 48 48 A G E +Ij 53 202B 1 153,-1.1 155,-2.5 -2,-0.4 2,-0.3 -0.762 25.2 129.9-125.4 169.0 7.4 -9.8 12.7 49 49 A G E > -I 52 0B 9 3,-2.0 3,-0.9 -2,-0.3 155,-0.2 -0.879 65.3 -8.2-175.3-152.2 4.8 -7.0 12.5 50 50 A I T 3 S+ 0 0 0 153,-0.4 101,-1.9 155,-0.4 102,-0.4 -0.441 131.3 17.2 -65.3 132.3 2.3 -5.6 10.1 51 51 A G T 3 S- 0 0 38 128,-0.3 2,-0.3 100,-0.2 -1,-0.2 -0.100 122.5 -82.4 95.5 -35.6 2.9 -7.2 6.7 52 52 A G E < -I 49 0B 22 -3,-0.9 -3,-2.0 100,-0.2 99,-0.3 -0.999 64.6 -29.2 144.7-145.2 4.9 -10.1 8.0 53 53 A F E -I 48 0B 132 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.821 34.5-167.9-119.7 156.4 8.5 -11.0 9.0 54 54 A I E -I 47 0B 24 -7,-2.2 -7,-2.5 -2,-0.3 2,-0.4 -0.968 27.5-116.5-136.8 152.4 12.0 -10.0 8.1 55 55 A K E +I 46 0B 145 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.762 39.5 174.7 -92.0 132.5 15.3 -11.6 8.9 56 56 A V E -I 45 0B 4 -11,-3.3 -11,-2.2 -2,-0.4 2,-0.5 -0.812 31.1-113.9-131.4 172.3 17.7 -9.6 11.1 57 57 A R E -IK 44 77B 63 20,-3.1 20,-2.7 -2,-0.3 2,-0.6 -0.936 26.5-143.8-110.1 129.8 21.0 -10.0 12.9 58 58 A Q E -IK 43 76B 40 -15,-2.4 -15,-1.4 -2,-0.5 2,-0.4 -0.839 17.9-178.4-100.2 119.6 21.0 -9.9 16.7 59 59 A Y E - K 0 75B 3 16,-2.9 16,-2.9 -2,-0.6 3,-0.3 -0.919 14.0-147.6-113.4 139.7 24.0 -8.3 18.5 60 60 A D E + 0 0 80 -19,-0.5 14,-0.2 -2,-0.4 13,-0.1 -0.697 67.3 16.3-108.2 159.9 24.2 -8.2 22.3 61 61 A Q E S+ 0 0 134 -2,-0.2 -1,-0.2 1,-0.2 13,-0.2 0.823 75.2 165.5 52.9 40.5 25.6 -5.7 24.8 62 62 A I E - K 0 73B 17 11,-2.4 11,-1.8 -3,-0.3 2,-0.4 -0.747 35.0-129.8 -89.6 127.2 25.7 -2.9 22.3 63 63 A P E + K 0 72B 86 0, 0.0 -47,-0.4 0, 0.0 2,-0.4 -0.629 32.9 175.8 -77.7 129.9 26.2 0.6 23.9 64 64 A V E - K 0 71B 7 7,-4.2 7,-2.2 -2,-0.4 2,-0.6 -0.998 21.0-149.1-136.7 136.7 23.7 3.1 22.7 65 65 A E E -EK 14 70B 81 -51,-2.1 -51,-2.4 -2,-0.4 2,-0.6 -0.936 11.8-170.2-110.9 123.5 23.2 6.7 23.7 66 66 A I E > S-EK 13 69B 0 3,-2.7 3,-1.6 -2,-0.6 -53,-0.2 -0.945 71.1 -29.9-114.8 113.8 19.6 8.1 23.5 67 67 A C T 3 S- 0 0 57 -55,-2.0 -1,-0.2 -2,-0.6 -54,-0.1 0.906 129.0 -41.7 45.5 53.8 19.2 11.9 24.0 68 68 A G T 3 S+ 0 0 61 1,-0.2 2,-0.4 -56,-0.2 -1,-0.3 0.566 116.4 120.6 74.7 7.7 22.2 12.1 26.3 69 69 A H E < - K 0 66B 65 -3,-1.6 -3,-2.7 2,-0.0 2,-0.4 -0.896 59.2-132.8-109.7 135.2 21.2 8.9 28.1 70 70 A K E + K 0 65B 181 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.695 31.7 166.1 -88.1 133.3 23.4 5.8 28.2 71 71 A A E - 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