==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE(ASPARTYL PROTEINASE) 17-OCT-89 2RSP . COMPND 2 MOLECULE: RSV PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: ROUS SARCOMA VIRUS; . AUTHOR A.WLODAWER,M.MILLER,M.JASKOLSKI . 228 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12379.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 144 63.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 16 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 32.0 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 . 2 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.3 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 . 23 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 11 4.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 11 4.8 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 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 RESIDUES PER ALPHA HELIX . 0 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 PARALLEL BRIDGES PER LADDER . 4 1 8 0 0 2 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 . 0 0 1 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 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 L 0 0 10 0, 0.0 229,-1.5 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 125.3 2.4 29.9 56.1 2 2 A A E +A 229 0A 55 227,-0.2 2,-0.4 228,-0.1 227,-0.2 -0.968 360.0 174.4-141.6 125.7 4.6 29.4 59.3 3 3 A M E -A 228 0A 27 225,-2.8 225,-2.9 -2,-0.4 2,-0.2 -0.969 24.6-136.4-140.1 124.7 8.5 29.4 58.9 4 4 A T E -A 227 0A 87 -2,-0.4 2,-0.5 223,-0.3 223,-0.3 -0.484 26.2-118.9 -73.4 139.5 11.0 29.3 61.7 5 5 A M + 0 0 2 221,-2.8 2,-0.4 216,-0.2 220,-0.1 -0.763 39.2 177.3 -84.7 125.9 14.0 31.7 61.3 6 6 A E - 0 0 78 3,-0.6 213,-0.1 -2,-0.5 212,-0.1 -0.987 31.6-138.2-128.2 141.1 17.2 29.6 61.1 7 7 A H S S+ 0 0 81 -2,-0.4 212,-0.2 211,-0.2 211,-0.1 0.941 100.1 42.0 -62.5 -45.1 20.7 31.0 60.6 8 8 A K S S+ 0 0 166 210,-0.1 2,-0.5 1,-0.1 -1,-0.2 0.717 109.6 57.5 -77.7 -25.9 21.9 28.3 58.1 9 9 A D S S- 0 0 72 -3,-0.1 -3,-0.6 209,-0.1 -1,-0.1 -0.948 79.1-131.8-111.9 124.8 18.8 27.9 56.0 10 10 A R - 0 0 93 -2,-0.5 2,-1.9 1,-0.1 146,-0.1 -0.407 30.2-111.9 -70.4 145.9 17.3 30.8 54.1 11 11 A P + 0 0 6 0, 0.0 25,-2.2 0, 0.0 2,-0.3 -0.511 55.1 170.9 -76.4 79.1 13.5 31.0 54.5 12 12 A L E -D 35 0B 50 -2,-1.9 2,-0.3 23,-0.2 23,-0.2 -0.746 14.4-175.9 -95.8 144.0 12.6 30.1 50.9 13 13 A V E -D 34 0B 11 21,-2.2 21,-2.7 -2,-0.3 2,-0.3 -0.907 29.0-114.1-133.5 160.0 9.2 29.3 49.5 14 14 A R E -DE 33 77B 129 63,-0.8 63,-2.7 -2,-0.3 2,-0.3 -0.680 36.6-171.0 -90.6 145.8 8.0 28.1 46.1 15 15 A V E -DE 32 76B 0 17,-2.1 17,-2.1 -2,-0.3 2,-0.5 -0.992 17.8-144.8-133.0 140.6 5.9 30.7 44.2 16 16 A I E -DE 31 75B 33 59,-2.9 59,-2.6 -2,-0.3 2,-0.4 -0.918 15.4-160.9-106.6 136.6 3.9 30.5 41.0 17 17 A L E -DE 30 74B 0 13,-3.5 13,-1.9 -2,-0.5 2,-0.5 -0.944 5.4-169.5-108.8 135.6 3.9 33.7 38.9 18 18 A T E -DE 29 73B 30 55,-2.3 55,-3.1 -2,-0.4 2,-0.5 -0.991 18.9-139.9-129.1 126.7 1.1 34.2 36.3 19 19 A N E - E 0 72B 1 9,-3.1 53,-0.2 -2,-0.5 6,-0.1 -0.718 17.2-175.9 -80.9 118.7 1.2 37.0 33.7 20 20 A T + 0 0 64 51,-2.0 -1,-0.1 -2,-0.5 52,-0.1 0.356 37.0 151.4 -95.1 2.1 -2.5 38.2 33.5 21 21 A G - 0 0 12 50,-0.3 4,-0.1 1,-0.1 49,-0.0 0.159 61.5-123.3 -37.5 141.8 -1.3 40.5 30.7 22 22 A S S S+ 0 0 127 2,-0.1 -1,-0.1 0, 0.0 -2,-0.0 0.284 92.4 51.6 -74.7 7.9 -3.1 41.9 27.8 23 23 A H S S- 0 0 56 1,-0.0 2,-0.1 0, 0.0 -2,-0.0 -0.855 92.2 -83.4-133.7 165.8 -0.5 40.4 25.1 24 24 A P + 0 0 116 0, 0.0 2,-0.3 0, 0.0 -2,-0.1 -0.384 38.4 176.2 -81.7 151.6 1.0 36.9 24.5 25 25 A V - 0 0 23 -2,-0.1 3,-0.1 -6,-0.1 29,-0.1 -0.954 38.6-117.4-146.4 148.7 3.9 35.3 26.1 26 26 A K S S+ 0 0 173 -2,-0.3 2,-0.5 1,-0.2 -1,-0.0 0.821 105.0 28.3 -60.7 -40.0 5.5 31.8 25.8 27 27 A Q - 0 0 115 1,-0.1 -1,-0.2 -3,-0.0 -8,-0.1 -0.992 59.4-172.8-129.3 124.7 4.8 30.9 29.3 28 28 A R S S+ 0 0 103 -2,-0.5 -9,-3.1 1,-0.2 2,-0.3 0.756 79.5 32.7 -83.8 -35.7 1.8 32.3 31.2 29 29 A S E +D 18 0B 44 -11,-0.3 2,-0.3 2,-0.0 -11,-0.2 -0.995 65.7 179.7-121.6 136.6 2.8 30.7 34.5 30 30 A V E -D 17 0B 16 -13,-1.9 -13,-3.5 -2,-0.3 2,-0.4 -0.955 23.0-133.2-138.1 150.2 6.3 30.0 36.0 31 31 A Y E +D 16 0B 131 -2,-0.3 2,-0.3 -15,-0.3 -15,-0.2 -0.885 33.8 166.2-103.0 131.8 7.5 28.4 39.3 32 32 A I E -D 15 0B 14 -17,-2.1 -17,-2.1 -2,-0.4 2,-0.4 -0.778 32.7-123.8-135.7 176.0 10.3 30.3 41.1 33 33 A T E -D 14 0B 70 -2,-0.3 66,-0.7 -19,-0.2 2,-0.3 -0.977 32.2-176.7-125.2 142.5 11.8 30.2 44.5 34 34 A A E -Df 13 99B 1 -21,-2.7 -21,-2.2 -2,-0.4 2,-0.3 -0.990 24.6-117.8-142.7 156.8 11.9 33.3 46.6 35 35 A L E -Df 12 100B 16 64,-2.7 66,-2.6 -2,-0.3 2,-0.8 -0.690 23.0-127.6 -90.2 136.9 13.2 34.5 50.0 36 36 A L E - f 0 101B 0 -25,-2.2 2,-0.6 -2,-0.3 66,-0.2 -0.786 37.4-174.2 -80.0 107.6 10.7 35.9 52.7 37 37 A D > + 0 0 18 64,-2.5 3,-1.7 -2,-0.8 66,-0.2 -0.900 26.2 179.0-116.2 101.6 12.5 39.2 53.4 38 38 A S T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 115,-0.1 0.629 86.4 60.9 -70.9 -18.0 11.2 41.4 56.3 39 39 A G T 3 S+ 0 0 18 88,-0.1 2,-0.4 113,-0.1 -1,-0.3 0.433 87.1 80.3 -90.2 -4.2 14.0 43.8 55.4 40 40 A A < - 0 0 19 -3,-1.7 63,-2.7 61,-0.2 64,-0.1 -0.862 62.6-156.3-101.8 133.8 13.0 44.6 51.8 41 41 A D S S+ 0 0 47 -2,-0.4 63,-0.7 61,-0.2 2,-0.3 0.846 78.9 32.7 -71.7 -31.6 10.1 47.2 51.4 42 42 A I S S- 0 0 59 61,-0.2 2,-0.3 60,-0.1 61,-0.1 -0.858 84.1-107.0-130.9 157.7 9.2 45.7 47.9 43 43 A T - 0 0 1 -2,-0.3 49,-2.0 59,-0.2 2,-0.4 -0.676 34.7-173.5 -82.0 133.4 9.1 42.4 46.0 44 44 A I E -gH 92 100B 20 56,-2.3 56,-2.9 -2,-0.3 2,-0.4 -0.997 15.8-150.7-133.0 131.3 11.7 41.9 43.4 45 45 A I E -g 93 0B 0 47,-2.5 49,-1.6 -2,-0.4 54,-0.1 -0.835 31.5-115.9 -94.4 137.0 12.0 39.0 40.9 46 46 A S E > -g 94 0B 4 -2,-0.4 4,-1.3 47,-0.2 3,-0.3 -0.389 17.8-120.7 -66.7 153.8 15.7 38.3 39.9 47 47 A E T 4 S+ 0 0 71 47,-1.5 -1,-0.1 1,-0.2 48,-0.1 0.832 115.4 57.3 -62.6 -28.5 16.5 38.8 36.2 48 48 A E T 4 S+ 0 0 182 48,-0.3 -1,-0.2 46,-0.2 4,-0.1 0.920 111.1 41.7 -63.2 -43.3 17.5 35.2 36.1 49 49 A D T 4 S+ 0 0 42 -3,-0.3 -1,-0.2 2,-0.1 -2,-0.2 0.660 92.5 99.2 -78.6 -21.8 14.0 34.1 37.2 50 50 A W S < S- 0 0 18 -4,-1.3 43,-0.0 1,-0.1 -18,-0.0 -0.607 84.1-110.1 -70.6 118.1 12.0 36.7 35.0 51 51 A P > - 0 0 18 0, 0.0 3,-2.5 0, 0.0 -1,-0.1 -0.158 26.6-128.2 -54.7 130.7 10.5 35.2 31.8 52 52 A T T 3 S+ 0 0 132 1,-0.3 -2,-0.1 -4,-0.1 -3,-0.0 0.877 104.5 43.8 -54.2 -38.2 12.5 36.8 28.9 53 53 A D T 3 S+ 0 0 49 2,-0.1 -1,-0.3 -26,-0.0 -3,-0.0 0.238 81.2 107.8 -93.5 10.8 9.4 37.9 27.1 54 54 A W S < S- 0 0 3 -3,-2.5 -29,-0.1 -29,-0.1 -26,-0.0 -0.819 77.7-121.4 -84.7 122.2 7.4 39.2 30.0 55 55 A P - 0 0 34 0, 0.0 14,-2.6 0, 0.0 15,-0.5 -0.146 30.6-171.8 -61.3 147.7 7.7 43.0 29.3 56 56 A V E -I 68 0B 53 12,-0.3 2,-0.3 13,-0.1 12,-0.2 -0.815 5.2-158.1-131.9 169.8 9.2 45.4 31.8 57 57 A M E -I 67 0B 60 10,-2.0 10,-2.8 -2,-0.3 2,-0.0 -0.882 29.6 -99.1-148.5 156.2 9.3 49.2 31.8 58 58 A E E -I 66 0B 162 -2,-0.3 2,-0.3 8,-0.2 8,-0.1 -0.224 41.7-146.3 -74.0 159.7 11.6 51.7 33.6 59 59 A A 0 0 60 6,-0.5 6,-0.1 1,-0.1 -1,-0.0 -0.918 360.0 360.0-128.9 163.7 10.1 53.1 36.8 60 60 A A 0 0 161 -2,-0.3 -1,-0.1 0, 0.0 -2,-0.0 0.296 360.0 360.0-134.8 360.0 10.4 56.5 38.4 61 ! 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 62 70 A G 0 0 110 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 77.8 21.0 50.9 45.6 63 71 A I - 0 0 73 31,-0.0 2,-0.2 0, 0.0 33,-0.0 -0.925 360.0-107.9-119.2 143.7 20.5 48.8 42.4 64 72 A P - 0 0 93 0, 0.0 31,-0.5 0, 0.0 2,-0.3 -0.514 45.1-175.8 -65.0 132.5 18.8 49.8 39.1 65 73 A M E - J 0 94B 66 -2,-0.2 -6,-0.5 29,-0.1 2,-0.2 -0.965 20.7-154.2-137.2 155.6 15.4 48.2 38.7 66 74 A R E -IJ 58 93B 84 27,-2.3 27,-2.0 -2,-0.3 2,-0.3 -0.530 21.7-127.3-107.4 175.2 12.6 47.9 36.1 67 75 A K E -IJ 57 92B 65 -10,-2.8 -10,-2.0 25,-0.3 25,-0.2 -0.941 28.4-102.3-122.5 142.8 8.9 47.2 36.9 68 76 A S E -I 56 0B 0 23,-2.2 -12,-0.3 -2,-0.3 4,-0.1 -0.479 23.4-150.4 -62.4 139.7 6.8 44.5 35.3 69 77 A R S S+ 0 0 143 -14,-2.6 -1,-0.2 -2,-0.1 -13,-0.1 0.909 80.2 58.4 -77.2 -47.6 4.6 46.1 32.6 70 78 A D S S- 0 0 14 -15,-0.5 2,-0.3 1,-0.1 -2,-0.0 -0.416 95.1-107.3 -82.3 154.6 1.8 43.4 33.2 71 79 A M - 0 0 70 -2,-0.1 -51,-2.0 19,-0.1 2,-0.5 -0.654 39.7-148.6 -79.6 139.3 -0.0 42.8 36.5 72 80 A I E -EK 19 89B 0 17,-4.9 17,-1.8 -2,-0.3 2,-0.5 -0.910 8.0-140.6-113.0 148.0 1.2 39.5 37.9 73 81 A E E -EK 18 88B 74 -55,-3.1 -55,-2.3 -2,-0.5 2,-0.5 -0.804 21.9-160.5 -96.3 136.3 -0.7 37.1 40.0 74 82 A L E -EK 17 87B 1 13,-2.8 13,-1.8 -2,-0.5 2,-0.5 -0.954 10.2-174.5-119.9 119.2 1.5 35.6 42.7 75 83 A G E -E 16 0B 7 -59,-2.6 -59,-2.9 -2,-0.5 2,-0.4 -0.949 14.4-148.8-114.7 119.8 0.7 32.4 44.6 76 84 A V E -E 15 0B 1 -2,-0.5 8,-2.5 9,-0.3 2,-0.4 -0.712 12.6-149.9 -90.2 125.5 2.9 31.3 47.5 77 85 A I E -EL 14 83B 16 -63,-2.7 -63,-0.8 -2,-0.4 6,-0.2 -0.854 9.1-137.6 -97.3 126.3 3.1 27.5 47.9 78 86 A N > - 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