==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=7-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 14-JAN-08 3BXS . COMPND 2 MOLECULE: PROTEASE; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.D.TYNDALL,L.K.PATTENDEN,R.C.REID,S.H.HU,D.ALEWOOD, . 200 4 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 9327.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 130 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 14 7.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 73 36.5 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 . 6 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 . 22 11.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 13 6.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 6 3.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.0 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 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 0 0 0 0 PARALLEL BRIDGES PER LADDER . 2 2 3 0 0 2 1 3 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 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 P 0 0 79 0, 0.0 198,-2.0 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 169.3 -2.7 6.5 34.6 2 2 A Q E -A 198 0A 130 196,-0.2 2,-0.5 194,-0.0 196,-0.2 -0.968 360.0-163.1-111.6 128.0 1.1 6.0 34.4 3 3 A I E -A 197 0A 32 194,-3.1 194,-2.4 -2,-0.5 2,-0.1 -0.960 4.2-151.9-118.2 125.3 2.0 2.8 32.6 4 4 A T - 0 0 75 -2,-0.5 3,-0.3 192,-0.2 192,-0.1 -0.416 16.5-128.1 -87.0 170.8 5.4 1.2 32.8 5 5 A L S S+ 0 0 1 190,-0.5 186,-0.2 1,-0.2 185,-0.1 0.111 73.2 108.6-113.5 24.4 6.9 -0.9 30.0 6 6 A W S S+ 0 0 177 185,-0.1 2,-0.3 184,-0.1 -1,-0.2 0.779 93.9 28.6 -67.4 -25.0 8.0 -4.2 31.5 7 7 A K S S- 0 0 168 -3,-0.3 0, 0.0 3,-0.0 0, 0.0 -0.814 110.8 -75.8-126.3 167.5 5.0 -5.7 29.7 8 8 A R - 0 0 93 -2,-0.3 2,-2.4 1,-0.1 119,-0.1 -0.451 48.9-117.7 -63.8 134.8 3.2 -4.8 26.5 9 9 A P + 0 0 4 0, 0.0 15,-2.5 0, 0.0 2,-0.4 -0.433 51.5 166.4 -76.9 72.4 1.0 -1.7 27.3 10 10 A L E +D 23 0B 66 -2,-2.4 2,-0.3 13,-0.2 13,-0.2 -0.715 6.1 170.9 -90.3 137.2 -2.3 -3.5 26.5 11 11 A V E -D 22 0B 17 11,-2.6 11,-2.8 -2,-0.4 2,-0.4 -0.938 35.4-101.4-141.2 161.5 -5.5 -1.9 27.6 12 12 A T E -D 21 0B 83 -2,-0.3 55,-2.0 9,-0.2 2,-0.3 -0.697 39.1-178.5 -87.2 137.9 -9.2 -2.4 27.0 13 13 A I E -DE 20 66B 3 7,-3.0 7,-2.2 -2,-0.4 2,-0.5 -0.861 21.4-138.4-128.6 161.5 -11.0 -0.2 24.5 14 14 A R E +DE 19 65B 119 51,-1.8 51,-2.2 -2,-0.3 2,-0.3 -0.997 30.1 163.3-122.3 128.4 -14.6 0.1 23.4 15 15 A I E > +DE 18 64B 1 3,-2.5 3,-2.1 -2,-0.5 49,-0.1 -0.981 69.4 1.7-146.0 131.6 -15.2 0.6 19.6 16 16 A G T 3 S- 0 0 53 47,-0.6 3,-0.1 -2,-0.3 48,-0.1 0.763 130.6 -62.7 62.5 21.6 -18.4 0.1 17.7 17 17 A G T 3 S+ 0 0 55 1,-0.3 2,-0.3 0, 0.0 -1,-0.3 0.379 115.6 111.9 84.6 -2.7 -19.9 -0.8 21.1 18 18 A Q E < -D 15 0B 95 -3,-2.1 -3,-2.5 0, 0.0 2,-0.3 -0.802 65.8-124.9-108.1 144.5 -17.6 -3.8 21.5 19 19 A L E +D 14 0B 100 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.673 36.2 164.7 -87.1 139.4 -14.8 -4.3 23.9 20 20 A K E -D 13 0B 30 -7,-2.2 -7,-3.0 -2,-0.3 2,-0.4 -0.963 36.4-116.5-146.9 160.3 -11.3 -5.2 22.6 21 21 A E E +D 12 0B 118 -2,-0.3 62,-0.5 -9,-0.2 2,-0.3 -0.865 38.9 177.0-101.0 134.8 -7.7 -5.3 23.9 22 22 A A E -D 11 0B 0 -11,-2.8 -11,-2.6 -2,-0.4 2,-0.4 -0.971 28.3-118.4-139.9 155.6 -5.3 -2.9 22.1 23 23 A L E -Df 10 84B 2 60,-3.1 62,-3.2 -2,-0.3 2,-1.0 -0.782 20.7-131.9 -95.3 128.0 -1.7 -1.8 22.4 24 24 A L E - f 0 85B 0 -15,-2.5 2,-0.6 -2,-0.4 62,-0.1 -0.714 36.9-174.2 -80.1 109.7 -0.8 1.8 23.2 25 25 A D > + 0 0 0 60,-2.5 3,-1.6 -2,-1.0 62,-0.3 -0.858 28.7 179.7-119.9 99.5 1.8 2.3 20.4 26 26 A T T 3 S+ 0 0 0 -2,-0.6 -1,-0.1 1,-0.3 98,-0.1 0.603 85.4 64.9 -70.3 -11.6 3.8 5.4 20.2 27 27 A G T 3 S+ 0 0 2 174,-0.1 2,-0.5 81,-0.1 -1,-0.3 0.379 87.4 86.8 -90.7 3.1 5.6 4.0 17.1 28 28 A A < - 0 0 0 -3,-1.6 59,-3.3 173,-0.3 60,-0.2 -0.905 55.6-166.6-109.8 127.1 2.4 4.0 15.1 29 29 A D S S+ 0 0 35 -2,-0.5 59,-1.1 57,-0.2 2,-0.2 0.889 80.3 35.2 -69.7 -39.2 1.2 7.0 13.2 30 30 A D S S- 0 0 52 57,-0.2 2,-0.5 56,-0.1 57,-0.2 -0.653 83.4-110.9-115.3 167.4 -2.2 5.4 12.8 31 31 A T - 0 0 1 43,-0.4 45,-2.8 -2,-0.2 2,-0.5 -0.865 32.6-171.4-100.7 126.8 -4.7 3.2 14.7 32 32 A V E -gH 76 84B 0 52,-1.5 52,-3.2 -2,-0.5 2,-0.4 -0.972 1.6-172.6-126.4 118.9 -5.1 -0.3 13.3 33 33 A I E -g 77 0B 0 43,-3.2 45,-2.3 -2,-0.5 3,-0.2 -0.862 31.5-100.9-112.4 143.4 -7.8 -2.7 14.5 34 34 A E - 0 0 71 -2,-0.4 -1,-0.1 43,-0.2 49,-0.0 -0.114 63.3 -66.3 -55.4 156.7 -8.2 -6.3 13.6 35 35 A E S S+ 0 0 104 43,-0.3 2,-0.3 42,-0.1 -1,-0.2 -0.196 78.7 136.7 -51.7 130.3 -10.9 -7.2 11.0 36 36 A M - 0 0 23 -3,-0.2 2,-0.5 2,-0.0 -3,-0.1 -0.951 57.6 -89.1-164.4 167.5 -14.3 -6.4 12.4 37 37 A N + 0 0 147 -2,-0.3 -2,-0.0 -21,-0.0 0, 0.0 -0.792 43.3 179.8 -92.3 131.0 -17.5 -4.8 11.3 38 38 A L - 0 0 13 -2,-0.5 -2,-0.0 2,-0.2 39,-0.0 -0.992 30.0-108.8-131.1 139.2 -17.7 -1.1 11.9 39 39 A P S S+ 0 0 97 0, 0.0 2,-0.1 0, 0.0 -23,-0.0 -0.274 77.1 31.4 -65.3 148.8 -20.7 1.3 11.1 40 40 A G S S- 0 0 66 19,-0.1 2,-0.3 2,-0.0 -2,-0.2 -0.332 95.8 -48.5 99.2 178.5 -20.3 3.7 8.3 41 41 A K - 0 0 95 -2,-0.1 19,-0.5 19,-0.1 2,-0.3 -0.695 50.1-161.4 -93.7 144.0 -18.5 3.9 5.0 42 42 A W E -I 59 0B 106 -2,-0.3 17,-0.2 17,-0.1 34,-0.0 -0.815 8.6-138.8-121.3 163.0 -14.9 3.1 4.7 43 43 A K E -I 58 0B 48 15,-1.9 15,-3.3 -2,-0.3 2,-0.2 -0.962 27.1-109.0-122.8 138.8 -12.2 3.8 2.0 44 44 A P E +I 57 0B 112 0, 0.0 2,-0.3 0, 0.0 13,-0.2 -0.479 49.8 163.3 -66.8 134.6 -9.6 1.4 0.7 45 45 A K E -I 56 0B 24 11,-2.3 11,-2.9 -2,-0.2 2,-0.4 -0.922 29.4-139.6-145.0 165.5 -6.1 2.5 2.0 46 46 A M E -I 55 0B 129 -2,-0.3 2,-0.3 9,-0.2 9,-0.2 -0.986 19.0-177.3-130.1 142.5 -2.6 0.9 2.3 47 47 A I E -I 54 0B 14 7,-2.0 7,-2.5 -2,-0.4 2,-0.3 -0.972 15.7-133.8-137.7 154.5 -0.3 1.4 5.2 48 48 A G E +I 53 0B 6 -2,-0.3 5,-0.2 5,-0.2 2,-0.2 -0.771 23.5 166.8-112.3 154.4 3.3 0.2 6.0 49 49 A G E > -I 52 0B 7 3,-2.3 3,-0.6 -2,-0.3 102,-0.1 -0.643 57.1 -61.2-140.7-160.8 4.9 -1.3 9.0 50 50 A I T 3 S+ 0 0 5 1,-0.2 101,-0.1 -2,-0.2 3,-0.1 0.858 131.9 37.0 -61.8 -36.8 8.1 -3.1 9.9 51 51 A G T 3 S- 0 0 22 99,-2.0 2,-0.3 1,-0.3 100,-0.2 0.431 122.3 -82.1 -99.2 1.4 7.5 -6.0 7.5 52 52 A G E < -I 49 0B 26 98,-0.7 -3,-2.3 -3,-0.6 2,-0.3 -0.925 63.9 -32.4 135.6-161.6 5.9 -4.2 4.6 53 53 A F E -I 48 0B 148 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.2 -0.725 42.7-173.9-105.2 149.4 2.6 -2.9 3.4 54 54 A I E -I 47 0B 22 -7,-2.5 -7,-2.0 -2,-0.3 2,-0.4 -0.925 26.6-115.2-133.7 159.9 -1.0 -4.1 3.9 55 55 A K E +I 46 0B 161 -2,-0.3 2,-0.3 -9,-0.2 -9,-0.2 -0.799 39.3 176.1 -94.7 136.6 -4.4 -3.1 2.6 56 56 A V E -I 45 0B 7 -11,-2.9 -11,-2.3 -2,-0.4 2,-0.6 -0.866 33.6-116.2-135.3 167.7 -6.8 -1.7 5.2 57 57 A R E -IJ 44 77B 77 20,-2.5 20,-2.5 -2,-0.3 2,-0.7 -0.941 31.3-143.3-105.2 121.1 -10.3 -0.2 5.4 58 58 A Q E -IJ 43 76B 63 -15,-3.3 -15,-1.9 -2,-0.6 2,-0.5 -0.791 18.3-176.0 -93.4 117.9 -10.2 3.4 6.5 59 59 A Y E -IJ 42 75B 6 16,-2.6 16,-2.8 -2,-0.7 3,-0.3 -0.935 13.4-150.4-108.0 130.2 -13.1 4.5 8.8 60 60 A D E + 0 0 93 -19,-0.5 14,-0.2 -2,-0.5 13,-0.1 -0.710 65.7 11.0-104.1 155.8 -13.2 8.2 9.7 61 61 A Q E S+ 0 0 164 -2,-0.3 -1,-0.2 1,-0.2 13,-0.2 0.856 77.6 164.9 51.3 47.1 -14.5 9.9 12.9 62 62 A I E - J 0 73B 19 11,-2.8 11,-2.1 -3,-0.3 2,-0.3 -0.783 36.8-125.5 -94.3 127.5 -15.0 6.7 14.9 63 63 A P E + J 0 72B 82 0, 0.0 -47,-0.6 0, 0.0 2,-0.4 -0.546 32.1 177.9 -73.7 136.2 -15.5 7.0 18.6 64 64 A V E -EJ 15 71B 4 7,-3.0 7,-1.6 -2,-0.3 2,-0.6 -0.979 18.6-152.5-139.0 123.6 -13.1 4.9 20.6 65 65 A E E -EJ 14 70B 95 -51,-2.2 -51,-1.8 -2,-0.4 2,-0.6 -0.878 14.1-166.0 -99.4 120.3 -13.0 4.8 24.4 66 66 A I E > -EJ 13 69B 0 3,-3.3 3,-2.4 -2,-0.6 -53,-0.2 -0.913 69.1 -31.7-112.3 109.9 -9.4 4.0 25.7 67 67 A X T 3 S- 0 0 56 -55,-2.0 -1,-0.2 -2,-0.6 -54,-0.1 0.900 128.0 -45.2 48.6 43.1 -9.1 3.0 29.3 68 68 A G T 3 S+ 0 0 53 1,-0.2 2,-0.4 -56,-0.2 -1,-0.3 0.381 116.9 114.7 85.1 -4.7 -12.0 5.4 30.1 69 69 A H E < - J 0 66B 60 -3,-2.4 -3,-3.3 1,-0.0 2,-0.3 -0.838 61.7-127.5-103.4 137.3 -10.7 8.3 27.9 70 70 A K E + J 0 65B 81 -2,-0.4 2,-0.3 -5,-0.2 -5,-0.2 -0.636 31.4 164.3 -89.9 137.1 -12.7 9.4 24.9 71 71 A A E - J 0 64B 2 -7,-1.6 -7,-3.0 -2,-0.3 2,-0.4 -0.961 16.5-165.7-140.3 153.9 -11.3 9.8 21.3 72 72 A I E + J 0 63B 88 -2,-0.3 2,-0.3 -9,-0.3 -11,-0.1 -0.914 42.0 99.8-142.7 112.6 -13.0 10.1 18.0 73 73 A G E - 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