==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER ASPARTYL PROTEASE 15-SEP-96 1DUT . COMPND 2 MOLECULE: DUTP PYROPHOSPHATASE; . SOURCE 2 ORGANISM_SCIENTIFIC: FELINE IMMUNODEFICIENCY VIRUS; . AUTHOR G.S.PRASAD,E.A.STURA,D.E.MCREE,G.S.LACO,C.HASSELKUS-LIGHT,J. . 234 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 14719.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 57.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 75 32.1 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 . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 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 . 27 11.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 15 6.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 4 1.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 0.9 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 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 0 PARALLEL BRIDGES PER LADDER . 2 3 3 4 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 ANTIPARALLEL BRIDGES PER LADDER . 4 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 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 M 0 0 98 0, 0.0 2,-0.3 0, 0.0 43,-0.1 0.000 360.0 360.0 360.0 158.0 7.8 16.5 43.2 2 2 A I + 0 0 98 41,-0.4 41,-2.4 42,-0.1 2,-0.3 -0.621 360.0 170.2 -77.6 129.0 10.4 18.7 41.6 3 3 A I E -A 42 0A 69 -2,-0.3 2,-0.4 39,-0.2 39,-0.3 -0.901 22.6-151.1-133.2 164.3 9.9 19.3 37.9 4 4 A E E +A 41 0A 127 37,-2.5 37,-1.9 -2,-0.3 3,-0.1 -0.996 60.6 36.5-136.0 127.1 11.6 21.7 35.5 5 5 A G S S- 0 0 45 -2,-0.4 3,-0.2 35,-0.2 35,-0.1 -0.289 73.3-108.2 117.8 161.3 9.7 23.0 32.5 6 6 A D S S+ 0 0 85 1,-0.1 -1,-0.1 32,-0.1 33,-0.1 0.213 87.7 97.5-114.8 16.0 6.1 24.0 31.5 7 7 A G S S+ 0 0 3 31,-0.1 14,-2.3 -3,-0.1 2,-0.4 0.222 75.8 66.4 -87.3 15.0 5.2 21.0 29.4 8 8 A I B S-B 20 0B 16 12,-0.2 2,-0.3 -3,-0.2 12,-0.2 -0.999 72.2-147.1-137.7 134.3 3.3 19.3 32.3 9 9 A L - 0 0 14 10,-1.8 10,-0.2 -2,-0.4 205,-0.1 -0.748 22.5-103.3-106.5 153.5 0.1 20.5 34.0 10 10 A D - 0 0 56 203,-0.6 2,-0.2 -2,-0.3 9,-0.1 -0.405 39.7-148.9 -66.6 142.1 -1.2 20.2 37.5 11 11 A K - 0 0 50 -2,-0.1 2,-0.2 4,-0.1 7,-0.1 -0.721 19.6-101.3-113.2 160.7 -3.9 17.6 37.9 12 12 A R > - 0 0 52 -2,-0.2 3,-2.0 5,-0.2 -1,-0.0 -0.565 38.2-113.3 -72.8 147.7 -6.9 17.4 40.2 13 13 A S T 3 S+ 0 0 124 1,-0.3 -1,-0.1 -2,-0.2 -2,-0.0 0.769 118.4 54.8 -50.2 -33.3 -6.3 15.0 43.2 14 14 A E T 3 S+ 0 0 145 2,-0.0 -1,-0.3 0, 0.0 2,-0.1 0.608 89.3 94.1 -76.3 -22.4 -8.9 12.7 41.7 15 15 A D < - 0 0 63 -3,-2.0 -4,-0.1 1,-0.1 3,-0.1 -0.474 68.5-144.4 -75.3 147.4 -7.2 12.4 38.3 16 16 A A S S+ 0 0 70 -2,-0.1 87,-0.5 1,-0.1 2,-0.3 0.844 74.1 25.0 -82.5 -32.6 -4.9 9.5 37.7 17 17 A G - 0 0 2 85,-0.2 2,-0.4 83,-0.0 85,-0.2 -0.881 67.9-117.0-136.1 169.8 -2.4 11.4 35.6 18 18 A Y E - C 0 101B 58 83,-2.1 83,-2.1 -2,-0.3 2,-0.2 -0.814 37.6-117.2 -98.7 136.1 -0.8 14.7 34.5 19 19 A D E - C 0 100B 22 -2,-0.4 -10,-1.8 -10,-0.2 2,-0.4 -0.514 24.2-150.6 -74.8 138.9 -1.3 15.9 30.9 20 20 A L E -BC 8 99B 0 79,-3.0 78,-2.2 -2,-0.2 79,-1.0 -0.857 10.4-146.1-112.2 142.4 1.9 16.2 28.9 21 21 A L E - C 0 97B 1 -14,-2.3 76,-0.2 -2,-0.4 2,-0.2 -0.876 18.5-112.2-116.4 141.5 2.2 18.9 26.0 22 22 A A - 0 0 0 74,-2.3 73,-3.2 -2,-0.3 16,-0.2 -0.502 19.5-150.0 -69.2 131.8 4.0 18.8 22.7 23 23 A A S S+ 0 0 36 14,-2.8 2,-0.3 -2,-0.2 -1,-0.2 0.544 76.9 7.8 -80.5 -10.8 6.9 21.3 22.8 24 24 A K S S- 0 0 110 13,-0.4 -1,-0.2 69,-0.2 72,-0.1 -0.971 91.9 -76.3-164.7 162.7 6.6 21.9 19.1 25 25 A E - 0 0 102 -2,-0.3 2,-0.4 -3,-0.1 68,-0.2 -0.326 46.3-169.1 -67.3 133.8 4.5 21.2 16.1 26 26 A I E -F 92 0C 10 66,-2.4 66,-3.4 -2,-0.1 2,-0.4 -0.992 12.0-155.0-130.8 138.0 4.9 17.7 14.7 27 27 A H E -F 91 0C 92 -2,-0.4 2,-0.4 64,-0.2 64,-0.2 -0.936 12.5-170.5-115.4 130.1 3.8 16.2 11.4 28 28 A L E -F 90 0C 2 62,-2.9 62,-2.3 -2,-0.4 3,-0.1 -0.947 5.7-161.1-128.4 117.3 3.2 12.4 11.1 29 29 A L > - 0 0 97 -2,-0.4 3,-2.5 60,-0.2 55,-0.4 -0.473 50.2 -67.2 -84.3 164.4 2.6 10.5 8.0 30 30 A P T 3 S+ 0 0 61 0, 0.0 -1,-0.2 0, 0.0 55,-0.2 -0.210 123.9 10.4 -54.6 127.1 1.0 7.1 8.1 31 31 A G T 3 S+ 0 0 60 53,-2.9 2,-0.3 55,-0.3 54,-0.1 0.402 93.6 135.0 86.1 -2.6 3.5 4.7 9.6 32 32 A E < - 0 0 64 -3,-2.5 52,-1.8 52,-0.2 2,-0.4 -0.642 38.6-158.8 -83.4 140.3 5.9 7.3 10.9 33 33 A V E +G 83 0D 80 -2,-0.3 2,-0.3 50,-0.2 50,-0.2 -0.945 17.3 172.0-115.7 134.2 7.4 7.1 14.5 34 34 A K E -G 82 0D 77 48,-2.3 48,-2.7 -2,-0.4 2,-0.8 -0.984 34.6-126.1-142.5 148.4 8.7 10.2 16.1 35 35 A V E -G 81 0D 97 -2,-0.3 46,-0.3 46,-0.2 -2,-0.0 -0.868 30.1-151.0 -97.0 107.6 10.0 11.1 19.5 36 36 A I E -G 80 0D 0 44,-3.0 44,-2.9 -2,-0.8 2,-0.1 -0.717 8.9-135.0 -84.4 121.2 8.0 14.2 20.6 37 37 A P E -G 79 0D 33 0, 0.0 -14,-2.8 0, 0.0 -13,-0.4 -0.454 22.0-179.8 -74.5 142.5 9.8 16.6 23.0 38 38 A T - 0 0 3 40,-1.2 -17,-0.2 -16,-0.2 -31,-0.1 0.544 35.5-131.9-115.6 -15.1 7.8 17.9 26.0 39 39 A G + 0 0 28 39,-0.4 2,-0.2 1,-0.2 40,-0.1 0.332 64.0 123.5 77.9 -4.0 10.5 20.1 27.5 40 40 A V - 0 0 0 38,-0.4 38,-2.9 -33,-0.1 2,-0.3 -0.627 36.2-177.4 -98.9 145.4 10.0 18.7 31.1 41 41 A K E +A 4 0A 71 -37,-1.9 -37,-2.5 -2,-0.2 2,-0.3 -0.908 17.0 179.9-126.6 152.3 12.5 17.0 33.4 42 42 A L E -A 3 0A 7 34,-0.4 2,-0.6 -2,-0.3 -39,-0.2 -0.972 33.7-129.1-152.4 164.3 11.4 15.7 36.8 43 43 A M - 0 0 86 -41,-2.4 -41,-0.4 -2,-0.3 30,-0.1 -0.936 32.2-147.9-117.5 102.9 12.5 13.9 40.1 44 44 A L - 0 0 11 -2,-0.6 2,-0.1 28,-0.6 3,-0.1 -0.355 29.5 -96.5 -69.6 147.8 10.0 11.1 40.7 45 45 A P > - 0 0 49 0, 0.0 3,-1.5 0, 0.0 -1,-0.1 -0.421 47.2 -94.8 -65.5 144.0 9.4 10.3 44.3 46 46 A K T 3 S+ 0 0 185 1,-0.2 3,-0.1 -2,-0.1 -3,-0.0 -0.410 111.8 32.6 -59.8 132.1 11.4 7.4 45.8 47 47 A G T 3 S+ 0 0 35 1,-0.3 59,-2.8 -2,-0.1 -1,-0.2 0.362 108.0 79.9 101.5 0.5 9.5 4.1 45.6 48 48 A Y E < -D 105 0B 98 -3,-1.5 -1,-0.3 57,-0.3 24,-0.3 -0.786 53.5-159.3-133.9 170.1 7.6 4.9 42.3 49 49 A W E -D 104 0B 67 55,-2.4 55,-2.4 -2,-0.2 2,-0.4 -0.849 25.9-115.1-141.6 168.3 8.0 4.9 38.5 50 50 A G E -DE 103 70B 0 20,-2.8 20,-2.6 -2,-0.3 2,-0.5 -0.953 15.2-155.1-118.1 138.0 6.0 6.8 35.8 51 51 A L E -DE 102 69B 49 51,-3.0 51,-2.7 -2,-0.4 2,-0.5 -0.935 7.6-153.5-109.3 125.5 3.9 5.3 33.1 52 52 A I E +D 101 0B 9 16,-2.0 2,-0.3 -2,-0.5 49,-0.2 -0.878 25.1 169.2 -99.4 127.2 3.3 7.4 29.9 53 53 A I E -D 100 0B 79 47,-2.4 47,-2.5 -2,-0.5 13,-0.1 -0.970 32.9 -96.0-139.2 153.4 0.0 6.5 28.3 54 54 A G E -D 99 0B 34 -2,-0.3 2,-0.3 45,-0.2 45,-0.2 -0.301 30.2-118.1 -77.8 146.8 -2.0 8.0 25.5 55 55 A K > - 0 0 41 43,-0.7 4,-3.1 1,-0.1 3,-0.3 -0.616 19.0-128.5 -76.7 144.0 -4.9 10.3 25.8 56 56 A S H > S+ 0 0 107 -2,-0.3 4,-2.0 1,-0.2 -1,-0.1 0.828 107.8 61.4 -61.8 -36.5 -8.3 9.2 24.4 57 57 A S H 4 S+ 0 0 53 1,-0.2 -1,-0.2 2,-0.2 4,-0.1 0.907 115.3 31.7 -57.8 -45.0 -8.6 12.4 22.4 58 58 A I H >4>S+ 0 0 5 -3,-0.3 3,-1.7 2,-0.2 5,-1.1 0.838 113.8 60.8 -84.1 -29.8 -5.5 11.5 20.4 59 59 A G H ><5S+ 0 0 39 -4,-3.1 3,-1.8 1,-0.3 -2,-0.2 0.892 98.7 58.8 -62.6 -32.1 -5.9 7.7 20.5 60 60 A S T 3<5S+ 0 0 85 -4,-2.0 -1,-0.3 1,-0.3 -2,-0.2 0.596 98.2 60.0 -74.2 -10.6 -9.2 8.1 18.7 61 61 A K T < 5S- 0 0 103 -3,-1.7 -1,-0.3 2,-0.1 -2,-0.2 0.468 125.0-102.0 -89.8 -6.5 -7.2 9.8 15.9 62 62 A G T < 5S+ 0 0 21 -3,-1.8 23,-1.9 -4,-0.4 24,-0.8 0.804 77.8 134.8 89.7 32.1 -5.1 6.6 15.4 63 63 A L E < -H 84 0D 8 -5,-1.1 -1,-0.3 21,-0.2 2,-0.3 -0.938 34.9-162.8-112.5 133.1 -2.0 7.7 17.2 64 64 A D E -H 83 0D 84 19,-2.6 19,-1.7 -2,-0.4 2,-0.4 -0.840 16.7-131.6-116.7 158.0 -0.3 5.3 19.7 65 65 A V E -H 82 0D 19 -2,-0.3 2,-0.3 17,-0.2 17,-0.2 -0.884 25.6-160.7-104.2 129.9 2.3 5.8 22.5 66 66 A L E -H 81 0D 64 15,-2.4 15,-0.5 -2,-0.4 2,-0.1 -0.800 59.5 -0.2-108.2 157.2 5.2 3.3 22.3 67 67 A G + 0 0 73 -2,-0.3 -2,-0.1 1,-0.1 13,-0.0 -0.492 66.5 175.5 64.6-136.9 7.5 2.4 25.2 68 68 A G + 0 0 16 1,-0.3 -16,-2.0 -2,-0.1 2,-0.5 0.694 23.9 127.2 112.9 16.5 6.4 4.5 28.2 69 69 A V E -E 51 0B 90 -18,-0.2 2,-0.5 -20,-0.0 -1,-0.3 -0.953 30.6-173.0-107.2 121.8 8.4 3.6 31.3 70 70 A I E -E 50 0B 17 -20,-2.6 -20,-2.8 -2,-0.5 2,-0.2 -0.977 19.5-145.4-110.7 116.7 10.2 6.4 33.3 71 71 A D > - 0 0 105 -2,-0.5 3,-2.8 -22,-0.2 -27,-0.2 -0.613 25.4-109.3 -79.3 150.6 12.3 4.9 36.0 72 72 A E T 3 S+ 0 0 73 -24,-0.3 -28,-0.6 1,-0.3 -1,-0.1 0.805 118.2 55.9 -49.2 -34.3 12.7 6.8 39.3 73 73 A G T 3 S+ 0 0 55 -30,-0.1 2,-0.4 2,-0.0 -1,-0.3 0.470 76.2 119.8 -81.7 -2.8 16.3 7.6 38.4 74 74 A Y < + 0 0 102 -3,-2.8 -32,-0.3 1,-0.1 -30,-0.3 -0.519 26.5 165.4 -69.4 127.9 15.6 9.3 35.0 75 75 A R + 0 0 132 -2,-0.4 -1,-0.1 -34,-0.1 3,-0.1 0.404 42.5 96.6-119.7 -6.4 16.8 12.9 34.9 76 76 A G S S- 0 0 29 1,-0.2 -34,-0.4 -35,-0.1 2,-0.1 -0.187 87.7 -73.2 -77.6 179.6 16.7 13.7 31.3 77 77 A E - 0 0 78 -36,-0.1 2,-0.5 1,-0.1 -36,-0.2 -0.433 51.5-112.4 -72.4 145.5 14.0 15.5 29.4 78 78 A I - 0 0 1 -38,-2.9 -40,-1.2 -2,-0.1 -39,-0.4 -0.680 36.1-179.1 -83.8 122.4 10.8 13.5 28.8 79 79 A G E -G 37 0D 32 -2,-0.5 2,-0.5 -42,-0.2 -44,-0.0 -0.930 19.2-139.9-117.4 143.3 10.1 12.6 25.1 80 80 A V E -G 36 0D 2 -44,-2.9 -44,-3.0 -2,-0.4 2,-0.7 -0.930 10.3-139.5-108.0 125.4 7.0 10.7 24.1 81 81 A I E +GH 35 66D 65 -2,-0.5 -15,-2.4 -15,-0.5 2,-0.3 -0.762 32.3 177.8 -82.5 114.0 7.5 8.0 21.3 82 82 A M E -GH 34 65D 0 -48,-2.7 -48,-2.3 -2,-0.7 2,-0.4 -0.925 14.4-168.6-121.2 144.7 4.4 8.4 19.0 83 83 A I E -GH 33 64D 16 -19,-1.7 -19,-2.6 -2,-0.3 2,-0.9 -0.996 23.4-132.9-130.5 147.6 3.4 6.5 15.8 84 84 A N E + H 0 63D 0 -52,-1.8 -53,-2.9 -55,-0.4 -21,-0.2 -0.822 30.4 169.2 -95.8 99.7 0.6 7.3 13.4 85 85 A V + 0 0 98 -23,-1.9 -22,-0.2 -2,-0.9 -1,-0.1 0.339 51.7 89.3 -92.8 3.5 -1.0 3.8 12.9 86 86 A S S S- 0 0 22 -24,-0.8 -55,-0.3 2,-0.2 -24,-0.1 -0.300 88.1-113.8 -87.7 178.6 -4.0 5.3 11.0 87 87 A R S S+ 0 0 237 -57,-0.1 2,-0.4 -2,-0.1 -25,-0.1 0.230 89.6 82.3-102.6 17.4 -4.1 5.8 7.2 88 88 A K S S- 0 0 96 -27,-0.2 -2,-0.2 -59,-0.1 2,-0.1 -0.954 80.7-115.5-128.0 144.1 -4.2 9.6 7.5 89 89 A S - 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