==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=18-MAR-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 05-JUL-11 3SQF . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: MASON-PFIZER MONKEY VIRUS; . AUTHOR M.JASKOLSKI,M.KAZMIERCZYK,M.GILSKI,S.KRZYWDA,I.PICHOVA,H.ZAB . 189 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 10217.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 103 54.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 15 7.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 48 25.4 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 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 1.1 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 . 4 2.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 26 13.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 3.2 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+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 1 3 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 4 2 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 ANTIPARALLEL BRIDGES PER LADDER . 0 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 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 9 A K 0 0 163 0, 0.0 16,-0.0 0, 0.0 3,-0.0 0.000 360.0 360.0 360.0 156.9 4.3 26.7 26.2 2 10 A P + 0 0 20 0, 0.0 15,-2.6 0, 0.0 2,-0.3 0.579 360.0 57.7 -92.6 -15.7 3.4 27.5 22.5 3 11 A S E -A 16 0A 44 13,-0.2 2,-0.4 81,-0.0 13,-0.2 -0.801 58.2-162.6-126.1 161.0 4.4 24.2 20.8 4 12 A L E -A 15 0A 24 11,-2.4 11,-2.0 -2,-0.3 2,-0.4 -0.997 7.6-151.8-146.8 133.6 3.5 20.5 21.2 5 13 A T E +A 14 0A 54 -2,-0.4 60,-0.3 9,-0.2 2,-0.3 -0.949 29.0 155.6-113.2 134.5 5.3 17.3 20.0 6 14 A L E -A 13 0A 1 7,-2.5 7,-2.6 -2,-0.4 2,-0.4 -0.914 41.5-106.1-144.6 172.2 3.2 14.2 19.3 7 15 A W E -AB 12 63A 83 56,-2.7 56,-1.9 -2,-0.3 2,-0.5 -0.898 20.2-166.0-104.1 136.1 3.3 11.1 17.3 8 16 A L E > S-AB 11 62A 0 3,-2.6 3,-2.2 -2,-0.4 54,-0.2 -0.992 72.8 -47.4-115.2 121.8 1.1 10.8 14.1 9 17 A D T 3 S- 0 0 55 52,-3.0 54,-0.1 -2,-0.5 51,-0.0 -0.225 126.1 -19.5 42.6-125.1 1.2 7.0 13.2 10 18 A D T 3 S+ 0 0 118 -3,-0.1 2,-0.3 2,-0.1 -1,-0.2 0.053 122.3 79.4-101.1 32.8 4.9 6.1 13.5 11 19 A K E < S-A 8 0A 112 -3,-2.2 -3,-2.6 21,-0.0 2,-0.3 -0.991 71.0-127.9-137.9 143.2 6.6 9.6 13.2 12 20 A M E -A 7 0A 111 -2,-0.3 2,-0.4 -5,-0.2 -5,-0.2 -0.658 27.6-174.9 -89.7 143.9 7.1 12.4 15.7 13 21 A F E -A 6 0A 10 -7,-2.6 -7,-2.5 -2,-0.3 2,-0.4 -0.992 13.9-154.3-135.7 144.5 6.0 15.9 14.8 14 22 A T E +A 5 0A 74 -2,-0.4 69,-0.5 -9,-0.2 2,-0.3 -0.943 27.2 154.1-117.8 142.7 6.3 19.3 16.4 15 23 A G E -A 4 0A 3 -11,-2.0 -11,-2.4 -2,-0.4 2,-0.3 -0.978 41.8 -92.6-157.8 167.2 3.9 22.1 15.8 16 24 A L E -Ac 3 84A 12 67,-2.9 69,-2.8 -2,-0.3 2,-0.5 -0.648 42.0-109.9 -87.6 147.4 2.3 25.2 17.3 17 25 A I E + c 0 85A 29 -15,-2.6 2,-0.3 -2,-0.3 69,-0.1 -0.619 37.5 179.2 -77.0 123.2 -0.9 25.1 19.2 18 26 A N > + 0 0 9 67,-2.9 3,-2.0 -2,-0.5 69,-0.3 -0.594 11.1 164.7-130.7 63.6 -3.5 26.8 16.9 19 27 A T T 3 + 0 0 80 1,-0.3 -1,-0.1 -2,-0.3 68,-0.1 0.634 68.1 71.7 -66.2 -12.6 -6.8 26.6 18.9 20 28 A G T 3 S+ 0 0 64 -3,-0.1 2,-0.3 66,-0.1 -1,-0.3 0.687 90.3 70.4 -71.9 -18.6 -8.4 29.2 16.6 21 29 A A < - 0 0 24 -3,-2.0 66,-3.0 64,-0.2 67,-0.2 -0.779 69.2-149.4-105.3 141.7 -8.6 26.7 13.8 22 30 A D S S+ 0 0 100 -2,-0.3 66,-1.1 64,-0.2 2,-0.3 0.743 82.0 52.6 -79.9 -17.5 -11.0 23.6 13.6 23 31 A V S S- 0 0 31 64,-0.2 2,-0.3 65,-0.1 64,-0.2 -0.799 80.0-120.7-123.3 153.9 -8.5 21.5 11.5 24 32 A T - 0 0 0 -2,-0.3 51,-2.9 62,-0.2 2,-0.4 -0.708 22.0-157.6 -93.4 142.7 -4.8 20.6 11.8 25 33 A I E -dE 75 84A 8 59,-2.4 59,-2.7 -2,-0.3 2,-0.4 -0.987 5.3-167.6-127.6 126.4 -2.2 21.5 9.1 26 34 A I E -d 76 0A 0 49,-2.9 51,-2.1 -2,-0.4 2,-0.2 -0.865 29.4-115.5-110.0 138.5 1.1 19.8 8.5 27 35 A K E >> -d 77 0A 21 -2,-0.4 3,-1.5 49,-0.2 4,-0.6 -0.478 21.4-124.9 -73.7 142.7 3.7 21.3 6.2 28 36 A L G >4 S+ 0 0 70 49,-2.5 3,-1.4 1,-0.3 -1,-0.1 0.868 108.0 64.9 -54.8 -37.1 4.4 19.4 3.1 29 37 A E G 34 S+ 0 0 105 48,-0.3 -1,-0.3 1,-0.3 113,-0.0 0.794 106.9 41.3 -59.2 -26.6 8.1 19.3 4.0 30 38 A D G <4 S+ 0 0 55 -3,-1.5 -1,-0.3 2,-0.1 -2,-0.2 0.475 90.4 107.7 -96.5 -6.2 7.4 17.2 7.1 31 39 A W S << S- 0 0 14 -3,-1.4 4,-0.0 -4,-0.6 45,-0.0 -0.597 78.1-119.0 -78.0 125.6 4.9 15.0 5.3 32 40 A P > - 0 0 20 0, 0.0 3,-2.3 0, 0.0 -1,-0.1 -0.317 17.3-137.0 -62.9 130.3 6.3 11.5 4.7 33 41 A P T 3 S+ 0 0 126 0, 0.0 -2,-0.0 0, 0.0 -3,-0.0 0.807 99.6 58.6 -65.8 -23.9 6.3 10.9 1.0 34 42 A N T 3 S+ 0 0 154 2,-0.1 -3,-0.0 0, 0.0 0, 0.0 0.435 85.5 95.6 -77.6 -1.9 4.9 7.4 1.3 35 43 A W S < S- 0 0 39 -3,-2.3 2,-0.1 1,-0.0 -4,-0.0 -0.837 82.5-113.5 -93.7 132.7 1.8 8.5 3.2 36 44 A P + 0 0 72 0, 0.0 21,-2.3 0, 0.0 22,-0.5 -0.329 36.1 176.3 -69.4 135.5 -1.2 9.0 1.0 37 45 A I E -F 56 0A 54 19,-0.3 2,-0.4 20,-0.1 19,-0.2 -0.953 11.9-155.8-128.0 155.6 -2.7 12.5 0.5 38 46 A T E -F 55 0A 76 17,-2.6 17,-2.4 -2,-0.3 0, 0.0 -0.994 29.0-102.6-132.7 141.5 -5.6 13.6 -1.7 39 47 A D E -F 54 0A 112 -2,-0.4 2,-0.4 15,-0.2 15,-0.2 -0.289 43.0-148.1 -60.2 142.1 -6.4 16.9 -3.3 40 48 A T - 0 0 13 13,-1.8 -1,-0.1 2,-0.1 12,-0.0 -0.915 27.5-166.1-119.7 142.2 -9.2 18.6 -1.2 41 49 A L + 0 0 145 -2,-0.4 -1,-0.1 2,-0.1 -2,-0.0 0.449 54.7 127.2 -97.1 -5.6 -11.9 20.9 -2.3 42 50 A T - 0 0 66 1,-0.1 2,-1.1 11,-0.1 -2,-0.1 -0.174 67.5-121.5 -47.4 138.8 -12.5 21.7 1.4 43 51 A N - 0 0 142 3,-0.0 2,-0.2 6,-0.0 -1,-0.1 -0.779 32.0-163.9 -92.7 101.8 -12.5 25.4 2.0 44 52 A L > - 0 0 16 -2,-1.1 3,-1.3 3,-0.3 2,-0.2 -0.575 29.4-100.3 -84.2 146.3 -9.7 26.0 4.5 45 53 A R T 3 S- 0 0 166 1,-0.2 -1,-0.1 -2,-0.2 3,-0.1 -0.507 103.9 -1.8 -66.0 127.8 -9.5 29.2 6.4 46 54 A G T 3 S+ 0 0 22 -2,-0.2 2,-0.4 1,-0.1 -1,-0.2 0.479 108.8 108.5 75.1 5.1 -6.9 31.5 4.8 47 55 A I < - 0 0 17 -3,-1.3 -3,-0.3 130,-0.1 -1,-0.1 -0.959 56.6-147.3-122.6 127.9 -5.8 28.9 2.2 48 56 A G > - 0 0 29 -2,-0.4 3,-1.6 1,-0.1 4,-0.2 -0.484 26.4-113.8 -96.4 162.9 -6.7 29.3 -1.5 49 57 A Q G > S+ 0 0 100 1,-0.3 3,-1.6 2,-0.2 -1,-0.1 0.821 114.7 65.2 -64.1 -28.4 -7.4 26.7 -4.1 50 58 A S G 3 S+ 0 0 107 1,-0.3 -1,-0.3 2,-0.1 -3,-0.0 0.552 88.5 64.8 -70.7 -13.9 -4.2 27.8 -5.9 51 59 A N G < S- 0 0 4 -3,-1.6 -1,-0.3 26,-0.0 -2,-0.2 0.474 103.7-138.3 -77.7 -7.7 -2.1 26.5 -2.9 52 60 A N < - 0 0 73 -3,-1.6 -2,-0.1 -4,-0.2 -3,-0.1 0.948 23.5-155.6 41.8 69.3 -3.5 23.1 -4.0 53 61 A P - 0 0 2 0, 0.0 -13,-1.8 0, 0.0 2,-0.3 -0.342 9.2-162.0 -69.9 150.7 -4.2 22.0 -0.4 54 62 A K E -FG 39 76A 37 22,-1.6 22,-2.3 -15,-0.2 2,-0.4 -0.848 6.9-144.0-124.3 166.3 -4.3 18.3 0.2 55 63 A Q E -FG 38 75A 41 -17,-2.4 -17,-2.6 -2,-0.3 20,-0.3 -0.988 34.0 -95.8-129.1 145.6 -5.7 16.2 3.0 56 64 A S E -F 37 0A 3 18,-3.0 -19,-0.3 -2,-0.4 4,-0.1 -0.337 32.7-138.5 -48.8 132.3 -4.3 13.0 4.5 57 65 A S S S+ 0 0 34 -21,-2.3 2,-0.3 2,-0.1 -1,-0.2 0.815 82.7 32.9 -67.4 -31.7 -6.2 10.2 2.7 58 66 A K S S- 0 0 141 -22,-0.5 2,-0.2 14,-0.0 14,-0.1 -0.856 93.4 -95.6-120.5 163.5 -6.6 8.3 6.0 59 67 A Y - 0 0 145 -2,-0.3 2,-0.4 14,-0.1 14,-0.2 -0.520 40.1-144.9 -71.8 144.0 -7.0 9.1 9.6 60 68 A L E - H 0 72A 5 12,-3.3 12,-2.4 -2,-0.2 2,-0.4 -0.865 13.9-119.6-108.5 145.6 -3.7 9.0 11.4 61 69 A T E - H 0 71A 51 -2,-0.4 -52,-3.0 10,-0.2 2,-0.4 -0.720 28.4-157.2 -78.3 129.1 -3.4 7.8 15.0 62 70 A W E -BH 8 70A 2 8,-2.2 8,-1.7 -2,-0.4 2,-0.3 -0.874 12.4-179.0-102.6 148.3 -2.1 10.5 17.3 63 71 A R E -BH 7 69A 90 -56,-1.9 -56,-2.7 -2,-0.4 6,-0.2 -0.989 12.2-152.8-134.2 148.3 -0.3 9.7 20.5 64 72 A D > - 0 0 26 4,-1.8 3,-2.2 -2,-0.3 -58,-0.1 -0.571 44.3 -87.4-104.2-178.4 1.1 11.9 23.2 65 73 A K T 3 S+ 0 0 160 -60,-0.3 -59,-0.1 1,-0.3 -1,-0.0 0.588 128.3 55.4 -67.8 -11.0 4.0 11.1 25.5 66 74 A E T 3 S- 0 0 135 2,-0.1 -1,-0.3 0, 0.0 3,-0.1 0.292 118.4-111.2 -96.1 6.4 1.5 9.6 28.1 67 75 A N < + 0 0 115 -3,-2.2 2,-0.2 1,-0.3 -2,-0.1 0.709 66.3 150.8 63.5 24.2 0.2 7.2 25.4 68 76 A N - 0 0 44 26,-0.0 -4,-1.8 1,-0.0 2,-0.3 -0.568 28.3-171.3 -71.7 152.5 -3.1 9.0 25.2 69 77 A S E +H 63 0A 66 -6,-0.2 2,-0.3 -2,-0.2 -6,-0.2 -0.975 25.5 147.0-151.8 160.8 -4.4 8.5 21.7 70 78 A G E -H 62 0A 16 -8,-1.7 -8,-2.2 -2,-0.3 2,-0.4 -0.862 40.8 -90.1-169.1-160.2 -7.0 9.4 19.1 71 79 A L E +H 61 0A 94 -10,-0.3 2,-0.3 -2,-0.3 -10,-0.2 -0.996 32.8 173.5-136.5 137.8 -7.4 10.0 15.4 72 80 A I E -H 60 0A 3 -12,-2.4 -12,-3.3 -2,-0.4 -14,-0.0 -0.971 23.1-152.2-140.9 156.7 -7.0 13.0 13.1 73 81 A K - 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