==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-MAR-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/INHIBITOR 30-JUN-10 3NR6 . COMPND 2 MOLECULE: PROTEASE P14; . SOURCE 2 ORGANISM_SCIENTIFIC: XENOTROPIC MULV-RELATED VIRUS VP62; . AUTHOR J.LUBKOWSKI,M.LI,A.GUSTCHINA,D.ZHOU,Z.DAUTER,A.WLODAWER . 234 5 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 11466.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 149 63.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 12 5.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 72 30.8 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 . 3 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 30 12.8 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 . 11 4.7 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 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 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 . 6 2 1 2 4 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 ANTIPARALLEL BRIDGES PER LADDER . 2 0 0 0 1 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 T 0 0 118 0, 0.0 23,-0.2 0, 0.0 2,-0.2 0.000 360.0 360.0 360.0 137.1 13.4 21.2 0.3 2 2 A L - 0 0 6 21,-2.2 3,-0.1 20,-0.3 41,-0.1 -0.563 360.0-141.0 -92.3 159.0 15.9 20.1 3.0 3 3 A G - 0 0 33 40,-2.8 -1,-0.1 1,-0.3 39,-0.1 -0.099 62.5 -15.2 -93.8-153.6 19.1 18.4 2.3 4 4 A D + 0 0 111 1,-0.2 -1,-0.3 -2,-0.1 21,-0.0 -0.203 50.6 176.6 -52.4 121.3 20.7 15.6 4.3 5 5 A Q + 0 0 10 -3,-0.1 3,-0.5 21,-0.1 23,-0.2 0.105 42.4 123.2-107.4 17.6 19.1 15.1 7.7 6 6 A G + 0 0 36 1,-0.2 21,-0.0 2,-0.1 -2,-0.0 -0.248 41.6 55.5 -75.1 164.8 21.2 12.1 8.6 7 7 A G > + 0 0 39 -2,-0.0 3,-1.6 3,-0.0 4,-0.3 0.426 61.2 127.6 94.4 2.4 23.5 11.6 11.5 8 8 A Q G > + 0 0 36 -3,-0.5 3,-1.4 1,-0.3 -2,-0.1 0.760 60.5 72.6 -58.3 -27.5 20.9 12.3 14.2 9 9 A G G 3 S+ 0 0 73 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.685 87.9 64.2 -63.2 -16.9 21.7 9.0 16.0 10 10 A Q G < S+ 0 0 148 -3,-1.6 -1,-0.3 1,-0.2 -2,-0.2 0.740 124.2 13.3 -73.4 -28.9 25.0 10.6 17.1 11 11 A E S < S- 0 0 100 -3,-1.4 -1,-0.2 -4,-0.3 -2,-0.1 -0.518 86.7-172.1-143.2 68.0 22.9 13.2 19.2 12 12 A P - 0 0 76 0, 0.0 -3,-0.1 0, 0.0 75,-0.1 -0.408 26.7-114.0 -70.9 138.7 19.4 11.9 19.4 13 13 A P - 0 0 4 0, 0.0 2,-0.1 0, 0.0 4,-0.1 -0.330 30.8-123.5 -59.5 146.1 16.7 14.1 20.9 14 14 A P - 0 0 33 0, 0.0 139,-0.0 0, 0.0 0, 0.0 -0.391 51.2 -47.9 -75.7 169.6 15.2 12.8 24.2 15 15 A E S S+ 0 0 74 1,-0.1 15,-0.1 15,-0.1 193,-0.1 -0.531 111.8 64.2 -69.2 149.8 11.4 12.3 24.5 16 16 A P S S+ 0 0 0 0, 0.0 15,-2.9 0, 0.0 2,-0.3 0.363 83.2 145.1 -75.7 127.7 9.1 13.9 23.9 17 17 A R E -A 30 0A 102 92,-0.3 2,-0.3 13,-0.3 94,-0.2 -0.932 28.8-169.7-129.0 159.0 10.2 13.6 20.3 18 18 A I E -A 29 0A 0 11,-1.9 11,-2.9 -2,-0.3 2,-0.6 -0.988 15.8-142.1-148.5 136.2 8.5 13.3 17.0 19 19 A T E +A 28 0A 34 -2,-0.3 102,-2.2 9,-0.3 2,-0.3 -0.903 30.1 169.1 -97.9 125.8 9.7 12.5 13.5 20 20 A L E -A 27 0A 0 7,-2.7 7,-3.2 -2,-0.6 2,-0.6 -0.834 38.4-113.0-127.2 162.3 8.1 14.5 10.7 21 21 A K E -AB 26 69A 90 48,-1.7 48,-3.8 -2,-0.3 2,-0.5 -0.914 37.2-177.8 -98.4 124.4 8.9 14.9 7.1 22 22 A V E > -AB 25 68A 0 3,-2.8 3,-1.8 -2,-0.6 -20,-0.3 -0.986 68.5 -13.2-127.6 120.3 10.0 18.5 6.4 23 23 A G T 3 S- 0 0 9 44,-2.9 -21,-2.2 -2,-0.5 -1,-0.1 0.860 132.5 -50.4 52.9 38.8 10.9 19.7 2.9 24 24 A G T 3 S+ 0 0 35 43,-0.3 -1,-0.3 -23,-0.2 44,-0.1 0.357 121.3 95.9 87.3 -9.0 10.9 16.1 1.8 25 25 A Q E < S-A 22 0A 69 -3,-1.8 -3,-2.8 -21,-0.0 2,-0.3 -0.915 76.2-112.2-118.3 147.4 13.2 14.7 4.5 26 26 A P E -A 21 0A 65 0, 0.0 2,-0.4 0, 0.0 -5,-0.3 -0.561 35.5-175.4 -76.9 135.0 12.6 13.0 7.9 27 27 A V E -A 20 0A 0 -7,-3.2 -7,-2.7 -2,-0.3 2,-0.6 -1.000 17.5-147.6-127.9 129.7 13.5 15.1 10.8 28 28 A T E -A 19 0A 33 -2,-0.4 2,-0.3 -9,-0.3 -9,-0.3 -0.905 24.9-169.1 -97.1 120.0 13.4 14.0 14.5 29 29 A F E -A 18 0A 0 -11,-2.9 -11,-1.9 -2,-0.6 2,-0.5 -0.791 26.5-129.4-106.3 149.3 12.6 16.9 16.8 30 30 A L E -Ac 17 89A 3 58,-2.4 60,-2.9 -2,-0.3 2,-0.8 -0.832 30.8-129.8 -82.8 130.9 12.6 17.4 20.5 31 31 A V E - c 0 90A 0 -15,-2.9 2,-0.6 -2,-0.5 60,-0.2 -0.803 35.7-174.2 -85.1 112.2 9.2 18.9 21.2 32 32 A D > - 0 0 20 58,-2.5 3,-2.0 -2,-0.8 60,-0.3 -0.894 27.3-177.2-124.5 98.8 10.4 21.8 23.3 33 33 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 115,-0.1 0.660 86.8 67.4 -70.3 -17.0 7.9 24.0 25.1 34 34 A G T 3 S+ 0 0 26 113,-0.1 2,-0.5 -3,-0.1 -1,-0.3 0.496 86.1 83.2 -76.7 -6.0 10.9 26.1 26.2 35 35 A A < - 0 0 13 -3,-2.0 57,-3.2 55,-0.2 58,-0.2 -0.901 59.2-163.6-106.2 123.6 11.6 27.2 22.6 36 36 A Q S S+ 0 0 119 -2,-0.5 57,-1.6 55,-0.2 2,-0.3 0.914 81.1 35.2 -62.4 -42.4 9.7 30.2 21.1 37 37 A H S S- 0 0 52 55,-0.2 2,-0.1 54,-0.1 55,-0.1 -0.859 86.1-114.3-120.6 148.9 10.7 29.2 17.5 38 38 A S - 0 0 0 -2,-0.3 42,-2.8 40,-0.3 2,-0.4 -0.473 35.2-153.0 -81.2 153.6 11.2 25.9 15.8 39 39 A V E -dE 80 89A 11 50,-2.1 50,-1.6 40,-0.2 2,-0.4 -0.970 18.1-160.7-135.9 136.5 14.8 25.1 14.7 40 40 A L E -d 81 0A 0 40,-2.5 42,-2.1 -2,-0.4 3,-0.1 -0.943 8.6-163.1-109.5 140.4 16.5 23.0 12.1 41 41 A T + 0 0 21 -2,-0.4 2,-0.3 1,-0.2 44,-0.1 0.685 63.9 26.5 -97.6 -20.3 20.1 22.2 12.8 42 42 A Q S S- 0 0 68 1,-0.1 -1,-0.2 -39,-0.1 -39,-0.2 -0.998 112.9 -5.0-148.8 151.7 21.4 21.1 9.4 43 43 A N + 0 0 80 -2,-0.3 -40,-2.8 1,-0.2 -1,-0.1 0.860 63.6 172.2 40.2 61.8 20.9 21.4 5.5 44 44 A P - 0 0 12 0, 0.0 -1,-0.2 0, 0.0 35,-0.1 0.447 36.0-122.2 -87.2 0.1 17.8 23.5 5.9 45 45 A G - 0 0 30 18,-0.1 -43,-0.1 2,-0.0 -42,-0.0 -0.371 67.1 -5.8 85.6-168.6 17.4 24.5 2.2 46 46 A P S S- 0 0 83 0, 0.0 18,-2.0 0, 0.0 2,-0.3 -0.240 70.5-140.1 -66.0 146.7 17.2 28.1 1.1 47 47 A L E -H 63 0B 49 16,-0.3 16,-0.3 1,-0.1 33,-0.1 -0.783 6.7-129.4-108.7 142.8 17.3 30.9 3.8 48 48 A S E - 0 0 29 14,-3.1 16,-0.1 -2,-0.3 -1,-0.1 -0.235 27.9-113.5 -75.4-176.9 15.3 34.1 3.9 49 49 A D E S+ 0 0 154 12,-0.1 2,-0.1 14,-0.1 -1,-0.1 0.531 89.8 98.3 -92.7 -7.2 17.1 37.3 4.5 50 50 A K E - 0 0 153 12,-0.2 12,-2.0 13,-0.0 2,-0.3 -0.450 53.2-177.3 -82.9 149.7 15.3 37.7 7.9 51 51 A S E -H 61 0B 43 10,-0.3 2,-0.3 -2,-0.1 10,-0.3 -0.937 14.8-143.4-145.6 163.8 17.0 36.6 11.1 52 52 A A E -H 60 0B 13 8,-2.8 8,-2.8 -2,-0.3 2,-0.4 -0.975 21.5-117.8-135.8 151.1 16.3 36.3 14.8 53 53 A W E -H 59 0B 141 -2,-0.3 2,-0.5 6,-0.2 6,-0.2 -0.691 26.2-163.0 -85.2 126.2 18.4 36.9 17.9 54 54 A V E H 58 0B 52 4,-3.7 4,-2.5 -2,-0.4 -2,-0.0 -0.979 360.0 360.0-121.6 115.8 18.7 33.6 19.9 55 55 A Q 0 0 183 -2,-0.5 4,-0.0 2,-0.3 3,-0.0 -0.393 360.0 360.0 -85.1 360.0 19.9 34.3 23.5 56 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 57 60 A G 0 0 72 0, 0.0 -2,-0.3 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 159.1 23.5 34.5 22.2 58 61 A K E -H 54 0B 110 -4,-2.5 -4,-3.7 -6,-0.0 2,-0.4 -0.888 360.0 -81.0-156.1-171.0 23.5 35.2 18.5 59 62 A R E +H 53 0B 134 -2,-0.3 2,-0.3 -6,-0.2 -6,-0.2 -0.826 35.8 176.3-108.7 136.9 21.7 35.8 15.3 60 63 A Y E -H 52 0B 28 -8,-2.8 -8,-2.8 -2,-0.4 2,-0.2 -0.937 27.1-111.4-134.0 156.5 20.4 33.1 12.9 61 64 A R E -H 51 0B 105 20,-0.4 20,-2.9 -2,-0.3 -10,-0.3 -0.577 21.3-125.9 -92.1 145.0 18.4 33.1 9.7 62 65 A W E -F 80 0A 44 -12,-2.0 -14,-3.1 18,-0.2 18,-0.3 -0.619 27.1-123.9 -77.0 143.7 14.8 31.9 9.1 63 66 A T E -H 47 0B 3 16,-3.3 -16,-0.3 -16,-0.3 3,-0.1 -0.411 29.9-100.7 -70.3 162.2 14.3 29.4 6.3 64 67 A T - 0 0 56 -18,-2.0 15,-0.4 1,-0.2 -1,-0.2 -0.166 69.3 -56.9 -61.9 176.3 11.9 30.2 3.5 65 68 A D - 0 0 118 13,-0.1 2,-0.4 -3,-0.1 13,-0.2 -0.354 61.0-162.8 -59.0 137.8 8.5 28.3 4.0 66 69 A R E - G 0 77A 8 11,-2.2 11,-2.6 -3,-0.1 2,-0.3 -0.979 20.7-119.4-122.0 142.7 8.8 24.5 4.3 67 70 A K E - G 0 76A 131 -2,-0.4 -44,-2.9 9,-0.2 2,-0.6 -0.618 26.2-157.6 -73.1 132.5 6.1 21.9 3.9 68 71 A V E -BG 22 75A 0 7,-3.2 7,-2.4 -2,-0.3 2,-0.6 -0.973 3.9-152.3-120.2 109.5 5.8 19.9 7.1 69 72 A H E -BG 21 74A 65 -48,-3.8 -48,-1.7 -2,-0.6 52,-0.2 -0.794 15.8-176.0 -85.4 119.1 4.2 16.4 6.6 70 73 A L E > - G 0 73A 20 3,-3.0 3,-1.2 -2,-0.6 50,-0.2 -0.654 45.4 -92.9-105.8 164.7 2.3 15.1 9.6 71 74 A A T 3 S+ 0 0 44 48,-3.0 48,-0.2 1,-0.3 49,-0.1 0.892 122.0 14.6 -44.7 -47.8 0.7 11.6 9.9 72 75 A T T 3 S+ 0 0 119 46,-0.4 -1,-0.3 45,-0.1 2,-0.2 -0.341 129.1 6.5-136.5 58.5 -2.6 13.1 8.7 73 76 A G E < -G 70 0A 41 -3,-1.2 -3,-3.0 46,-0.1 2,-0.3 -0.812 64.0-113.0 162.7-178.9 -2.1 16.5 7.1 74 77 A K E -G 69 0A 107 -2,-0.2 2,-0.3 -5,-0.2 -5,-0.2 -0.976 21.6-173.4-131.8 146.6 0.4 19.0 6.0 75 78 A V E -G 68 0A 32 -7,-2.4 -7,-3.2 -2,-0.3 2,-0.4 -0.876 23.2-125.3-130.6 163.9 1.3 22.5 7.2 76 79 A T E +G 67 0A 74 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.946 39.9 161.1-106.7 135.5 3.7 25.2 5.9 77 80 A H E -G 66 0A 11 -11,-2.6 -11,-2.2 -2,-0.4 2,-0.4 -0.998 31.9-138.0-152.4 147.9 6.2 26.5 8.4 78 81 A S - 0 0 33 -2,-0.3 -40,-0.3 -13,-0.2 2,-0.3 -0.916 22.3-160.9-110.4 142.4 9.5 28.4 8.6 79 82 A F - 0 0 0 -2,-0.4 -16,-3.3 -15,-0.4 2,-0.4 -0.770 20.8-114.8-116.7 152.3 12.2 27.4 10.9 80 83 A L E -dF 39 62A 3 -42,-2.8 -40,-2.5 -2,-0.3 2,-1.0 -0.716 27.7-131.8 -79.7 138.7 15.3 29.1 12.3 81 84 A H E +d 40 0A 38 -20,-2.9 -20,-0.4 -2,-0.4 -40,-0.2 -0.806 37.5 165.1 -91.9 105.6 18.5 27.5 11.1 82 85 A V > + 0 0 9 -42,-2.1 3,-0.8 -2,-1.0 -2,-0.1 -0.803 14.3 173.5-120.9 90.1 20.5 27.1 14.3 83 86 A P T 3 S+ 0 0 67 0, 0.0 2,-0.6 0, 0.0 -1,-0.1 0.860 75.0 70.7 -65.2 -30.3 23.4 24.8 13.7 84 87 A D T 3 S+ 0 0 120 2,-0.0 -43,-0.1 3,-0.0 3,-0.0 0.039 81.8 91.8 -76.9 32.1 24.7 25.5 17.3 85 88 A C S < S- 0 0 25 -3,-0.8 -3,-0.0 -2,-0.6 4,-0.0 -0.972 79.6-132.1-121.5 144.0 21.8 23.5 18.8 86 89 A P S S+ 0 0 80 0, 0.0 -1,-0.1 0, 0.0 -45,-0.1 0.825 83.3 4.8 -72.6 -29.2 22.2 19.8 19.5 87 90 A Y S S- 0 0 48 -75,-0.1 -58,-0.1 -47,-0.0 -48,-0.0 -0.982 85.5 -83.0-151.6 161.0 18.9 18.8 17.8 88 91 A P - 0 0 1 0, 0.0 -58,-2.4 0, 0.0 2,-0.4 -0.347 47.0-150.8 -57.0 140.2 16.0 20.1 15.8 89 92 A L E -cE 30 39A 19 -50,-1.6 -50,-2.1 -60,-0.2 2,-0.8 -0.981 17.0-153.8-120.6 134.3 13.3 21.6 18.0 90 93 A L E -c 31 0A 2 -60,-2.9 -58,-2.5 -2,-0.4 -55,-0.2 -0.947 37.1-175.6-101.5 110.3 9.6 21.9 17.5 91 94 A G > - 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