==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=6-SEP-2013 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 21-AUG-12 4GPG . COMPND 2 MOLECULE: PROTEASE 1; . SOURCE 2 ORGANISM_SCIENTIFIC: ACHROMOBACTER LYTICUS; . AUTHOR Y.OHNISHI,T.YAMADA,K.KURIHARA,I.TANAKA,F.SAKIYAMA,T.MASAKI,N . 263 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9585.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 156 59.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 5 1.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 27.8 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 0.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 . 13 4.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 34 12.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 12 4.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.4 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 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 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 0 5 3 2 3 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 . 1 0 0 0 0 1 0 0 1 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 G 0 0 23 0, 0.0 91,-2.2 0, 0.0 2,-0.4 0.000 360.0 360.0 360.0 177.4 -11.0 9.9 10.2 2 2 A V + 0 0 82 149,-0.3 2,-0.3 89,-0.2 89,-0.1 -0.976 360.0 152.9-127.0 133.5 -10.3 6.7 12.1 3 3 A S - 0 0 5 85,-0.4 148,-0.1 -2,-0.4 151,-0.0 -0.919 51.9 -52.7-147.4 178.0 -7.0 4.8 12.7 4 4 A G > - 0 0 19 -2,-0.3 3,-1.4 1,-0.1 80,-0.1 -0.101 42.5-127.0 -59.7 145.9 -5.6 2.5 15.4 5 5 A S T 3 S+ 0 0 45 1,-0.3 79,-3.3 84,-0.1 80,-0.5 0.708 104.0 68.4 -65.5 -21.0 -5.7 3.5 19.0 6 6 A a T 3 S+ 0 0 1 77,-0.2 -1,-0.3 78,-0.2 -2,-0.1 0.664 81.9 102.4 -72.5 -15.8 -1.9 2.9 19.5 7 7 A N < - 0 0 0 -3,-1.4 2,-0.5 180,-0.1 77,-0.3 -0.323 68.9-133.0 -67.9 155.4 -1.3 5.9 17.2 8 8 A I E -A 157 0A 8 149,-0.7 149,-2.0 75,-0.1 74,-0.1 -0.920 12.9-125.2-122.2 120.1 -0.2 9.3 18.6 9 9 A D E > -A 156 0A 0 72,-0.5 3,-1.6 -2,-0.5 6,-0.2 -0.375 21.4-126.1 -61.6 143.4 -1.7 12.7 17.7 10 10 A V T 3 S+ 0 0 1 145,-1.2 5,-0.2 1,-0.3 -1,-0.1 0.752 107.6 62.6 -63.4 -25.8 0.8 15.2 16.5 11 11 A V T 3 S+ 0 0 52 66,-0.3 -1,-0.3 68,-0.1 69,-0.2 0.517 85.5 102.3 -78.6 -6.5 -0.4 17.9 19.0 12 12 A b S X S- 0 0 0 -3,-1.6 3,-2.5 67,-0.2 4,-0.3 -0.244 97.4 -97.6 -65.3 163.9 0.7 15.4 21.8 13 13 A P G > S+ 0 0 88 0, 0.0 3,-2.1 0, 0.0 -1,-0.1 0.766 119.1 75.2 -63.6 -22.6 3.9 16.1 23.7 14 14 A E G 3 S+ 0 0 64 1,-0.3 -4,-0.1 -5,-0.2 -3,-0.1 0.766 91.7 58.2 -54.1 -24.5 5.7 13.5 21.3 15 15 A G G X S+ 0 0 0 -3,-2.5 3,-2.3 -6,-0.2 -1,-0.3 0.538 77.5 117.1 -82.9 -9.2 5.5 16.3 18.7 16 16 A D T < S+ 0 0 97 -3,-2.1 -4,-0.0 1,-0.3 -5,-0.0 -0.412 82.2 19.4 -64.3 139.8 7.4 18.8 20.9 17 17 A G T 3 S+ 0 0 57 -2,-0.1 -1,-0.3 1,-0.0 3,-0.1 0.381 118.5 71.2 78.2 -3.7 10.7 19.7 19.1 18 18 A R <> + 0 0 69 -3,-2.3 4,-2.1 2,-0.1 -2,-0.2 0.074 54.1 116.5-127.7 18.5 9.2 18.5 15.8 19 19 A R T 4 S+ 0 0 87 1,-0.2 4,-0.4 2,-0.2 -3,-0.1 0.632 76.0 54.9 -77.1 -10.4 6.6 21.3 15.1 20 20 A D T >4 S+ 0 0 39 2,-0.1 3,-1.5 1,-0.1 -1,-0.2 0.949 110.7 40.7 -79.4 -60.8 8.5 22.3 12.0 21 21 A I G >4 S+ 0 0 1 1,-0.3 3,-1.7 2,-0.2 4,-0.4 0.792 104.0 69.1 -61.4 -27.2 8.6 18.9 10.2 22 22 A I G >< S+ 0 0 4 -4,-2.1 3,-1.0 1,-0.3 -1,-0.3 0.884 97.1 54.8 -53.6 -35.5 5.0 18.2 11.3 23 23 A R G < S+ 0 0 36 -3,-1.5 107,-1.2 -4,-0.4 -1,-0.3 0.395 95.2 67.2 -84.3 3.5 4.0 21.0 8.8 24 24 A A G < S+ 0 0 0 -3,-1.7 16,-2.6 105,-0.2 2,-0.3 0.611 84.8 87.4 -92.1 -14.8 5.8 19.4 5.9 25 25 A V E < +J 39 0B 0 -3,-1.0 49,-0.5 -4,-0.4 2,-0.3 -0.693 50.6 174.1-101.6 138.9 3.4 16.4 5.7 26 26 A G E -JK 38 73B 0 12,-2.7 12,-2.5 -2,-0.3 2,-0.3 -0.964 24.3-134.4-136.8 153.8 0.1 16.2 3.8 27 27 A A E -JK 37 72B 0 45,-1.8 45,-3.0 -2,-0.3 2,-0.3 -0.746 30.1-169.0 -97.5 156.1 -2.6 13.7 3.0 28 28 A Y E -JK 36 71B 0 8,-2.4 7,-2.8 -2,-0.3 8,-1.3 -0.985 19.8-135.8-147.9 162.2 -3.9 13.4 -0.5 29 29 A S E -JK 34 70B 1 41,-2.1 41,-1.4 -2,-0.3 2,-0.4 -0.809 12.7-149.0-109.7 153.0 -6.5 11.9 -2.8 30 30 A K E > S-J 33 0B 75 3,-2.3 3,-2.0 -2,-0.3 39,-0.1 -0.994 84.4 -10.4-122.8 123.6 -6.0 10.3 -6.2 31 31 A S T 3 S- 0 0 91 -2,-0.4 -1,-0.1 34,-0.3 38,-0.1 0.838 134.0 -51.6 49.8 38.0 -8.9 10.6 -8.7 32 32 A G T 3 S+ 0 0 64 36,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.142 117.6 104.3 94.9 -17.7 -11.1 12.0 -5.9 33 33 A T E < S-J 30 0B 107 -3,-2.0 -3,-2.3 1,-0.0 -1,-0.2 -0.825 80.1-106.6-108.0 128.2 -10.5 9.2 -3.3 34 34 A L E +J 29 0B 73 -2,-0.5 -5,-0.3 -5,-0.3 -1,-0.0 -0.293 54.9 153.7 -49.8 128.2 -8.2 9.5 -0.2 35 35 A A E - 0 0 28 -7,-2.8 2,-0.2 1,-0.3 159,-0.2 0.742 41.8 -16.8-127.9 -58.9 -5.1 7.5 -1.1 36 36 A c E -J 28 0B 9 -8,-1.3 -8,-2.4 157,-0.1 -1,-0.3 -0.803 53.7 -99.8-152.3-180.0 -1.7 8.2 0.5 37 37 A T E +J 27 0B 0 157,-2.6 18,-0.4 -2,-0.2 2,-0.3 -0.886 32.1 172.2-115.3 149.8 0.6 10.5 2.3 38 38 A G E -J 26 0B 0 -12,-2.5 -12,-2.7 -2,-0.3 2,-0.3 -0.902 12.5-149.1-144.1 176.8 3.4 12.8 1.0 39 39 A S E -JL 25 53B 1 14,-1.9 14,-2.8 -2,-0.3 -14,-0.2 -0.999 20.3-106.9-153.1 149.6 5.7 15.5 2.3 40 40 A L E - L 0 52B 0 -16,-2.6 92,-2.0 -2,-0.3 2,-0.4 -0.515 32.1-163.6 -75.9 136.4 7.5 18.7 1.2 41 41 A V B -p 132 0C 3 10,-2.1 10,-0.4 90,-0.2 92,-0.2 -0.964 12.9-131.5-124.6 143.0 11.3 18.6 0.8 42 42 A N - 0 0 3 90,-3.6 2,-0.3 -2,-0.4 90,-0.1 -0.356 19.7-155.3 -81.0 163.3 13.8 21.4 0.6 43 43 A N > - 0 0 0 -2,-0.1 3,-1.8 88,-0.1 206,-0.2 -0.879 33.8 -96.3-136.1 169.6 16.4 21.6 -2.1 44 44 A T T 3 S+ 0 0 16 204,-2.4 205,-0.1 1,-0.3 204,-0.1 0.671 119.0 61.1 -68.3 -16.7 19.8 23.3 -2.3 45 45 A A T 3 S- 0 0 47 203,-0.2 -1,-0.3 0, 0.0 204,-0.1 0.585 94.2-144.2 -81.2 -10.8 18.6 26.5 -4.0 46 46 A N < + 0 0 103 -3,-1.8 -2,-0.1 1,-0.1 -4,-0.1 0.883 52.6 139.5 51.7 47.3 16.3 27.1 -0.9 47 47 A D - 0 0 77 -4,-0.0 -1,-0.1 214,-0.0 -3,-0.1 0.258 68.8-114.3-111.9 7.6 13.6 28.5 -3.3 48 48 A R + 0 0 94 1,-0.2 75,-0.4 -5,-0.1 -6,-0.1 0.695 49.4 173.9 59.2 25.3 10.3 27.0 -1.8 49 49 A K - 0 0 75 1,-0.1 2,-1.8 73,-0.1 -1,-0.2 -0.354 41.5-116.3 -57.0 138.8 9.7 24.8 -4.9 50 50 A M + 0 0 6 69,-0.3 69,-2.6 -10,-0.1 2,-0.5 -0.301 50.1 165.1 -85.1 56.5 6.7 22.6 -4.1 51 51 A Y E - M 0 118B 14 -2,-1.8 -10,-2.1 -10,-0.4 2,-0.5 -0.655 15.1-170.1 -78.4 123.4 8.6 19.3 -4.3 52 52 A F E -LM 40 117B 0 65,-2.4 65,-2.8 -2,-0.5 2,-0.4 -0.964 7.0-153.6-127.0 105.2 6.3 16.7 -2.7 53 53 A L E +LM 39 116B 5 -14,-2.8 -14,-1.9 -2,-0.5 2,-0.2 -0.694 28.2 146.7 -85.3 132.8 7.8 13.3 -2.1 54 54 A T E - M 0 115B 0 61,-2.7 61,-2.4 -2,-0.4 2,-0.4 -0.777 47.2 -71.9-145.0-170.1 5.6 10.2 -2.0 55 55 A A E > - M 0 114B 0 -18,-0.4 3,-1.4 59,-0.2 5,-0.4 -0.795 25.6-137.5 -98.4 139.7 5.7 6.5 -2.8 56 56 A H G > S+ 0 0 63 57,-1.1 3,-2.1 -2,-0.4 5,-0.4 0.816 100.5 65.0 -54.4 -39.7 5.7 5.0 -6.3 57 57 A H G 3 S+ 0 0 80 56,-0.3 -1,-0.3 1,-0.3 57,-0.1 0.632 85.8 73.1 -70.6 -9.7 3.2 2.3 -5.4 58 58 A c G < S- 0 0 7 -3,-1.4 -1,-0.3 1,-0.0 -2,-0.2 0.609 106.3-126.0 -75.8 -14.6 0.6 5.0 -4.8 59 59 A G S < S+ 0 0 26 -3,-2.1 3,-0.2 -4,-0.2 -2,-0.1 0.691 72.3 123.2 86.8 22.3 0.4 5.4 -8.6 60 60 A M + 0 0 0 -5,-0.4 2,-0.4 1,-0.2 6,-0.2 0.406 43.0 97.3 -94.1 -2.6 1.0 9.2 -8.9 61 61 A G + 0 0 21 -5,-0.4 2,-0.3 -6,-0.1 -1,-0.2 -0.028 65.9 83.3 -84.8 36.1 4.0 8.9 -11.2 62 62 A T S > S- 0 0 73 -2,-0.4 4,-2.5 -3,-0.2 5,-0.3 -0.962 84.7-120.1-126.0 153.6 2.1 9.5 -14.4 63 63 A A H > S+ 0 0 83 -2,-0.3 4,-1.6 1,-0.2 40,-0.2 0.896 112.5 49.9 -57.7 -40.6 1.1 12.8 -15.9 64 64 A S H > S+ 0 0 95 2,-0.2 4,-0.7 1,-0.2 -1,-0.2 0.894 113.8 41.2 -66.6 -45.3 -2.6 11.9 -15.7 65 65 A T H >> S+ 0 0 25 1,-0.2 3,-0.6 2,-0.2 4,-0.5 0.881 111.9 55.8 -76.1 -35.3 -2.7 10.7 -12.1 66 66 A A H >< S+ 0 0 0 -4,-2.5 3,-1.0 1,-0.2 37,-0.6 0.862 102.5 57.3 -58.6 -37.4 -0.5 13.5 -10.9 67 67 A A H 3< S+ 0 0 61 -4,-1.6 -1,-0.2 -5,-0.3 -2,-0.2 0.800 102.5 57.1 -64.0 -27.1 -2.9 16.1 -12.4 68 68 A S H << S+ 0 0 39 -4,-0.7 -36,-0.4 -3,-0.6 -1,-0.2 0.610 79.6 124.7 -81.8 -11.8 -5.7 14.6 -10.3 69 69 A I << - 0 0 1 -3,-1.0 33,-2.6 -4,-0.5 2,-0.5 -0.097 37.1-172.7 -56.8 135.0 -4.0 15.1 -6.8 70 70 A V E -KN 29 101B 30 -41,-1.4 -41,-2.1 31,-0.2 2,-0.4 -0.988 12.0-156.7-122.8 125.8 -5.8 17.0 -4.1 71 71 A V E -KN 28 100B 0 29,-2.8 29,-1.5 -2,-0.5 2,-0.5 -0.851 2.3-156.0-103.0 134.9 -3.5 17.7 -1.1 72 72 A Y E -KN 27 99B 46 -45,-3.0 -45,-1.8 -2,-0.4 3,-0.4 -0.950 14.3-161.8-114.2 114.4 -5.0 18.3 2.4 73 73 A W E +K 26 0B 3 25,-3.3 25,-0.4 -2,-0.5 -47,-0.1 -0.655 64.5 13.8 -99.0 152.9 -2.8 20.3 4.8 74 74 A N S S+ 0 0 41 -49,-0.5 2,-1.0 -2,-0.3 21,-0.4 0.849 74.1 159.3 54.7 40.3 -2.9 20.6 8.5 75 75 A Y + 0 0 11 -3,-0.4 80,-2.7 19,-0.1 2,-0.3 -0.821 24.0 122.2 -99.1 95.7 -5.4 17.7 8.9 76 76 A Q - 0 0 45 -2,-1.0 19,-0.4 78,-0.3 80,-0.1 -0.985 68.4 -83.0-154.9 154.3 -4.9 16.7 12.5 77 77 A N - 0 0 12 78,-0.4 -66,-0.3 -2,-0.3 17,-0.0 -0.394 34.3-134.0 -66.4 140.5 -7.0 16.2 15.7 78 78 A S S S+ 0 0 87 -2,-0.1 2,-0.3 2,-0.0 -1,-0.1 0.764 86.7 33.6 -67.4 -26.9 -7.4 19.5 17.6 79 79 A T S S- 0 0 83 -67,-0.0 2,-0.6 0, 0.0 -67,-0.2 -0.890 93.7 -96.2-129.0 154.1 -6.5 17.9 21.0 80 80 A b - 0 0 54 -2,-0.3 2,-0.4 -69,-0.2 8,-0.1 -0.605 33.9-155.9 -71.4 114.9 -4.2 15.2 22.2 81 81 A R - 0 0 18 -2,-0.6 -72,-0.5 7,-0.1 -69,-0.1 -0.784 31.7-106.1 -89.0 132.8 -6.1 11.9 22.5 82 82 A A > - 0 0 53 -2,-0.4 3,-1.0 1,-0.1 6,-0.6 -0.424 39.8-113.1 -64.8 125.0 -4.3 9.6 24.9 83 83 A P T 3 S+ 0 0 36 0, 0.0 -77,-0.2 0, 0.0 -75,-0.1 -0.204 96.9 20.9 -56.3 141.4 -2.5 6.8 23.0 84 84 A N T 3 S+ 0 0 94 -79,-3.3 -78,-0.2 -77,-0.3 -79,-0.1 0.736 100.2 108.4 67.6 26.6 -3.8 3.2 23.5 85 85 A T S X> S- 0 0 51 -3,-1.0 3,-1.1 -80,-0.5 4,-0.9 -0.890 85.3-110.0-123.5 158.5 -7.2 4.5 24.7 86 86 A P T 34 S+ 0 0 117 0, 0.0 4,-0.2 0, 0.0 3,-0.2 0.743 114.5 69.8 -67.5 -16.0 -10.4 4.2 22.8 87 87 A A T >4 S+ 0 0 49 1,-0.2 3,-1.2 2,-0.2 -6,-0.1 0.903 97.3 50.5 -60.5 -42.3 -10.4 8.0 22.4 88 88 A S T <4 S+ 0 0 0 -3,-1.1 -85,-0.4 -6,-0.6 -1,-0.2 0.787 110.5 50.0 -66.5 -29.1 -7.4 7.7 20.0 89 89 A G T 3< S+ 0 0 27 -4,-0.9 -1,-0.2 -3,-0.2 -2,-0.2 0.333 95.7 93.5 -94.1 5.8 -9.2 5.0 17.9 90 90 A A S < S- 0 0 45 -3,-1.2 -87,-0.3 -4,-0.2 2,-0.1 -0.549 94.4 -73.7 -91.2 161.1 -12.3 7.1 17.6 91 91 A N - 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