==== 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 1KJ4 . COMPND 2 MOLECULE: POL POLYPROTEIN; . SOURCE 2 ORGANISM_SCIENTIFIC: HUMAN IMMUNODEFICIENCY VIRUS 1; . AUTHOR C.A.SCHIFFER . 413 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 16738.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 285 69.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 35 8.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 140 33.9 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 . 12 2.9 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 . 57 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 25 6.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 13 3.1 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 3 0 1 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 . 1 8 1 1 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 . 6 1 7 0 1 5 2 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 1 1 2 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 78 0, 0.0 198,-1.1 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0-155.9 60.9 51.6 66.3 2 2 A Q E -A 198 0A 62 196,-0.2 2,-0.4 197,-0.1 196,-0.2 -0.861 360.0-167.7-143.2 102.2 61.3 48.6 64.0 3 3 A I E -A 197 0A 31 194,-2.3 194,-2.2 -2,-0.3 2,-0.1 -0.788 11.0-140.7-100.0 134.5 63.5 45.8 65.4 4 4 A T E -A 196 0A 77 -2,-0.4 3,-0.4 192,-0.2 192,-0.1 -0.462 12.3-132.6 -86.2 161.4 64.8 42.8 63.3 5 5 A L S S+ 0 0 1 190,-0.7 186,-0.2 1,-0.2 185,-0.1 0.083 76.1 108.2-103.2 24.1 65.0 39.3 64.7 6 6 A W S S+ 0 0 189 1,-0.2 2,-0.3 185,-0.1 -1,-0.2 0.657 93.9 22.6 -71.7 -12.0 68.5 38.5 63.5 7 7 A K S S- 0 0 62 -3,-0.4 -1,-0.2 180,-0.0 122,-0.0 -0.990 111.2 -71.2-152.6 147.3 69.4 38.8 67.1 8 8 A R - 0 0 105 -2,-0.3 2,-2.9 1,-0.2 119,-0.1 -0.108 51.7-121.8 -40.4 121.1 67.5 38.5 70.4 9 9 A P + 0 0 7 0, 0.0 15,-1.8 0, 0.0 2,-0.6 -0.338 49.2 166.1 -71.9 67.8 65.3 41.6 70.5 10 10 A L E +D 23 0B 71 -2,-2.9 13,-0.2 13,-0.2 2,-0.2 -0.766 3.5 165.3 -88.6 118.4 66.8 42.8 73.8 11 11 A V E -D 22 0B 20 11,-1.9 11,-2.1 -2,-0.6 2,-0.3 -0.617 35.3-100.1-119.5-179.6 65.9 46.4 74.6 12 12 A T E -D 21 0B 73 9,-0.2 55,-1.3 -2,-0.2 2,-0.3 -0.779 31.7-172.3-107.6 152.0 66.1 48.4 77.9 13 13 A I E -DE 20 66B 2 7,-1.2 7,-1.9 -2,-0.3 2,-0.8 -0.998 21.1-143.2-142.3 145.5 63.4 49.2 80.3 14 14 A R E > -D 19 0B 117 51,-0.9 3,-0.7 -2,-0.3 2,-0.7 -0.824 20.9-171.5-109.9 89.3 63.1 51.4 83.4 15 15 A I E > S-D 18 0B 3 3,-1.4 3,-0.6 -2,-0.8 49,-0.2 -0.742 78.9 -15.7 -83.4 115.8 60.9 49.6 85.8 16 16 A G T 3 S- 0 0 54 47,-1.6 -1,-0.3 -2,-0.7 48,-0.1 0.952 129.6 -53.4 54.4 53.2 60.2 52.0 88.6 17 17 A G T < S+ 0 0 53 -3,-0.7 2,-0.4 46,-0.3 -1,-0.2 0.770 117.1 112.1 53.6 30.0 63.1 54.3 87.6 18 18 A Q E < -D 15 0B 100 -3,-0.6 -3,-1.4 2,-0.1 2,-0.5 -0.983 63.5-126.6-131.2 141.2 65.5 51.3 87.7 19 19 A L E +D 14 0B 97 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.792 35.8 151.8-101.8 130.7 67.3 49.9 84.6 20 20 A K E -D 13 0B 89 -7,-1.9 -7,-1.2 -2,-0.5 2,-0.2 -0.982 39.8-120.5-150.9 136.5 67.3 46.2 83.5 21 21 A E E +D 12 0B 98 -2,-0.3 2,-0.3 -9,-0.2 62,-0.2 -0.566 37.3 176.6 -79.5 139.0 67.6 44.7 80.1 22 22 A A E -D 11 0B 1 -11,-2.1 -11,-1.9 -2,-0.2 2,-0.4 -0.957 28.3-110.8-143.1 162.0 64.7 42.5 78.9 23 23 A L E -Df 10 84B 6 60,-2.3 62,-3.4 -2,-0.3 2,-1.0 -0.776 23.1-129.7 -97.5 134.0 63.5 40.4 75.9 24 24 A L E - f 0 85B 0 -15,-1.8 2,-0.7 -2,-0.4 62,-0.2 -0.720 34.6-173.0 -81.9 106.1 60.5 41.4 73.8 25 25 A N > + 0 0 0 60,-2.5 3,-1.6 -2,-1.0 62,-0.3 -0.848 28.6 177.0-114.2 102.0 58.6 38.1 73.7 26 26 A T T 3 S+ 0 0 1 -2,-0.7 98,-0.1 1,-0.3 -1,-0.1 0.550 87.9 65.1 -73.2 -5.4 55.5 37.7 71.5 27 27 A G T 3 S+ 0 0 3 81,-0.1 378,-3.2 96,-0.1 2,-0.4 0.302 90.2 78.0 -99.0 8.1 55.5 34.2 72.9 28 28 A A B < -L 404 0C 0 -3,-1.6 59,-2.7 376,-0.3 376,-0.3 -0.944 61.5-156.7-120.0 140.1 54.9 35.2 76.4 29 29 A D S S+ 0 0 21 374,-1.8 59,-1.5 -2,-0.4 2,-0.2 0.870 80.2 24.8 -78.8 -37.9 51.5 36.3 77.9 30 30 A D S S- 0 0 32 57,-0.2 2,-0.6 56,-0.1 57,-0.2 -0.664 84.4 -98.2-124.1 176.8 53.1 38.2 80.7 31 31 A T E -g 75 0B 1 43,-0.7 45,-3.1 -2,-0.2 2,-0.5 -0.860 39.4-174.8 -97.7 116.8 56.2 40.1 81.7 32 32 A V E -gH 76 84B 0 52,-1.1 52,-3.8 -2,-0.6 2,-0.3 -0.961 2.8-171.1-119.0 131.8 58.5 38.1 83.9 33 33 A L E -g 77 0B 2 43,-2.8 45,-2.4 -2,-0.5 3,-0.2 -0.902 27.5-110.9-119.8 148.5 61.7 39.4 85.5 34 34 A E S S- 0 0 84 -2,-0.3 49,-0.0 1,-0.2 50,-0.0 -0.403 78.5 -40.4 -71.4 154.0 64.4 37.5 87.4 35 35 A E S S+ 0 0 103 -2,-0.1 2,-0.3 42,-0.1 -1,-0.2 0.261 84.8 164.0 -18.6 109.3 64.6 38.2 91.1 36 36 A M - 0 0 27 -3,-0.2 2,-0.7 2,-0.0 -1,-0.1 -0.898 39.3-119.8-134.6 164.8 63.9 41.9 91.3 37 37 A N + 0 0 139 -2,-0.3 -2,-0.0 0, 0.0 0, 0.0 -0.813 38.0 161.0-115.5 93.3 62.9 44.3 94.1 38 38 A L - 0 0 16 -2,-0.7 -2,-0.0 1,-0.1 2,-0.0 -0.821 32.5-126.8-106.4 146.6 59.6 46.1 93.5 39 39 A P + 0 0 106 0, 0.0 -1,-0.1 0, 0.0 2,-0.0 -0.204 64.9 55.0 -83.9-178.7 57.6 47.8 96.4 40 40 A G S S- 0 0 66 19,-0.1 2,-0.1 2,-0.0 -2,-0.1 -0.184 92.8 -55.4 85.3 175.3 54.0 47.2 97.4 41 41 A K - 0 0 97 19,-0.0 19,-0.4 -2,-0.0 2,-0.3 -0.421 53.3-155.5 -87.8 166.5 52.3 44.0 98.2 42 42 A W - 0 0 113 17,-0.1 17,-0.2 -2,-0.1 -2,-0.0 -0.993 13.5-137.3-146.9 153.8 52.1 40.9 95.9 43 43 A K E -I 58 0B 45 15,-1.4 15,-2.2 -2,-0.3 2,-0.1 -0.902 28.4-122.9-109.2 133.3 50.1 37.8 95.1 44 44 A P E -I 57 0B 49 0, 0.0 2,-0.3 0, 0.0 291,-0.2 -0.503 38.4-177.9 -73.9 146.5 51.8 34.5 94.4 45 45 A K E -I 56 0B 39 11,-2.4 11,-2.5 -2,-0.1 2,-0.5 -0.954 27.0-129.1-145.3 162.1 50.9 33.0 91.1 46 46 A M E +I 55 0B 36 -2,-0.3 356,-0.6 334,-0.3 2,-0.3 -0.954 28.5 174.0-114.1 126.1 51.5 30.0 88.8 47 47 A I E -Ij 54 402B 0 7,-1.7 7,-1.9 -2,-0.5 2,-0.4 -0.890 20.9-131.2-126.5 161.3 52.5 30.5 85.2 48 48 A G E +Ij 53 403B 2 354,-3.5 356,-2.9 -2,-0.3 5,-0.2 -0.899 23.8 170.2-119.4 147.1 53.5 27.9 82.6 49 49 A G - 0 0 0 3,-2.7 3,-0.3 -2,-0.4 356,-0.2 -0.483 58.0 -65.2-128.2-160.4 56.4 27.7 80.3 50 50 A I S S+ 0 0 1 356,-0.3 101,-0.2 354,-0.3 355,-0.1 0.817 132.2 39.7 -63.7 -30.8 57.9 25.1 77.9 51 51 A G S S- 0 0 29 99,-1.8 2,-0.3 1,-0.2 100,-0.2 0.577 120.4 -84.7 -97.6 -11.6 58.8 22.8 80.8 52 52 A G - 0 0 7 98,-0.6 -3,-2.7 -3,-0.3 2,-0.3 -1.000 66.8 -25.3 147.1-147.9 55.8 23.1 83.1 53 53 A F E -I 48 0B 49 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.753 48.1-178.1-106.1 153.4 54.5 25.4 85.9 54 54 A I E -I 47 0B 25 -7,-1.9 -7,-1.7 -2,-0.3 2,-0.5 -0.957 29.8-110.6-143.0 158.7 56.6 27.6 88.3 55 55 A K E +I 46 0B 64 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.833 40.5 172.7 -96.7 129.3 55.8 29.9 91.2 56 56 A V E -I 45 0B 5 -11,-2.5 -11,-2.4 -2,-0.5 2,-0.4 -0.955 31.7-113.5-134.0 151.2 56.2 33.6 90.5 57 57 A R E -IK 44 77B 104 20,-3.2 20,-3.0 -2,-0.3 2,-0.5 -0.694 29.4-143.0 -89.1 136.6 55.4 36.8 92.5 58 58 A Q E -IK 43 76B 36 -15,-2.2 -15,-1.4 -2,-0.4 2,-0.4 -0.842 17.4-178.5-106.9 132.2 52.8 39.1 91.1 59 59 A Y E - K 0 75B 5 16,-2.3 16,-1.7 -2,-0.5 2,-0.3 -0.985 18.2-143.5-123.7 133.4 52.8 42.9 91.2 60 60 A D E + 0 0 92 -2,-0.4 14,-0.2 -19,-0.4 13,-0.1 -0.758 68.3 3.5-101.5 145.6 49.9 44.9 89.8 61 61 A Q E S+ 0 0 154 -2,-0.3 -1,-0.2 1,-0.2 13,-0.2 0.948 71.0 166.4 48.6 71.0 50.2 48.2 88.0 62 62 A I E - K 0 73B 19 11,-3.0 11,-1.7 -3,-0.3 2,-0.8 -0.904 38.9-120.4-110.1 137.5 53.9 48.9 87.8 63 63 A P E - K 0 72B 74 0, 0.0 -47,-1.6 0, 0.0 2,-0.3 -0.728 34.3-173.7 -83.6 112.3 55.0 51.7 85.4 64 64 A V E - K 0 71B 6 7,-3.8 7,-2.1 -2,-0.8 2,-0.4 -0.726 14.0-153.5-101.8 153.9 57.3 50.2 82.8 65 65 A E E - K 0 70B 102 -2,-0.3 -51,-0.9 5,-0.2 2,-0.7 -0.736 11.4-174.7-132.8 86.8 59.2 52.3 80.3 66 66 A I B S-E 13 0B 0 3,-1.4 3,-0.3 -2,-0.4 -53,-0.2 -0.723 72.9 -31.6 -86.3 112.8 60.1 50.4 77.1 67 67 A C S S- 0 0 54 -55,-1.3 -1,-0.3 -2,-0.7 3,-0.1 0.945 127.5 -41.0 41.6 69.8 62.2 52.5 74.7 68 68 A G S S+ 0 0 67 -3,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.776 113.9 126.7 53.9 28.4 60.7 55.9 75.7 69 69 A H - 0 0 53 -3,-0.3 -3,-1.4 2,-0.0 2,-0.3 -0.974 57.4-131.6-124.3 125.7 57.3 54.3 75.8 70 70 A K E + K 0 65B 173 -2,-0.5 2,-0.3 -5,-0.2 -5,-0.2 -0.555 33.7 163.3 -76.1 129.4 54.9 54.5 78.8 71 71 A A E - K 0 64B 2 -7,-2.1 -7,-3.8 -2,-0.3 2,-0.5 -0.985 17.9-170.0-149.0 134.3 53.3 51.2 80.0 72 72 A I E + K 0 63B 91 -2,-0.3 2,-0.2 -9,-0.3 -11,-0.1 -0.940 36.3 110.0-131.2 111.2 51.6 50.3 83.2 73 73 A G E - 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