==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE/HYDROLASE INHIBITOR 24-APR-89 1P06 . COMPND 2 MOLECULE: ALPHA-LYTIC PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LYSOBACTER ENZYMOGENES; . AUTHOR R.BONE,D.A.AGARD . 201 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7884.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 135 67.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 9 4.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 80 39.8 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 . 4 2.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 1.5 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 . 12 6.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 20 10.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 7 3.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 1 0.5 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 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 . 2 0 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 PARALLEL BRIDGES PER LADDER . 2 3 2 4 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 . 0 1 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 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 15AA A 0 0 54 0, 0.0 73,-1.9 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 150.3 22.6 12.0 6.5 2 15BA N E -a 74 0A 101 71,-0.2 2,-0.7 73,-0.0 73,-0.2 -0.881 360.0-132.3 -91.3 132.2 25.9 13.7 6.1 3 16 A I E +a 75 0A 0 71,-4.2 73,-2.1 -2,-0.5 75,-0.4 -0.871 37.1 162.8 -96.9 118.5 26.1 16.4 8.9 4 17 A V E > - 0 0 12 -2,-0.7 3,-1.6 71,-0.1 15,-0.3 -0.970 43.8-101.6-132.9 141.9 27.2 19.8 7.6 5 18 A G E 3 S+a 79 0A 0 73,-3.2 75,-2.5 -2,-0.4 15,-0.2 -0.345 103.7 26.0 -62.1 139.8 26.9 23.1 9.2 6 19 A G T 3 S+ 0 0 4 13,-2.9 -1,-0.2 1,-0.3 102,-0.1 0.180 86.7 125.3 94.6 -12.5 24.0 25.2 7.8 7 29 A I < - 0 0 47 -3,-1.6 12,-2.2 97,-0.1 -1,-0.3 -0.308 61.6 -97.5 -81.8 162.8 21.6 22.4 6.5 8 30 A E E +C 18 0B 82 10,-0.2 2,-0.3 96,-0.1 10,-0.2 -0.456 38.0 170.7 -78.6 151.8 18.0 22.0 7.5 9 31 A Y E -C 17 0B 1 8,-2.0 8,-2.4 37,-0.1 2,-0.3 -0.927 21.5-139.3-151.6 147.1 16.5 19.8 10.1 10 32 A S E -CD 16 45B 19 35,-1.9 35,-1.9 -2,-0.3 2,-0.5 -0.785 11.5-137.0-104.4 164.1 12.9 19.6 11.5 11 33 A I E >> S-CD 15 44B 7 4,-1.7 3,-2.0 -2,-0.3 4,-0.8 -0.986 82.4 -19.8-123.9 119.4 11.9 19.1 15.2 12 34 A N T 34 S- 0 0 86 31,-2.8 -1,-0.2 -2,-0.5 32,-0.1 0.821 119.3 -65.4 44.5 46.2 9.0 16.8 15.9 13 35 A N T 34 S+ 0 0 118 30,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.675 128.4 74.0 53.5 27.1 7.8 17.2 12.2 14 39 A A T <4 S+ 0 0 76 -3,-2.0 -2,-0.2 1,-0.3 -1,-0.1 0.588 79.3 39.8-128.6 -84.1 7.0 20.8 12.9 15 40 A S E < -C 11 0B 72 -4,-0.8 -4,-1.7 22,-0.2 2,-0.4 -0.287 65.6-138.5 -69.5 160.3 9.6 23.7 13.2 16 41 A L E +C 10 0B 67 -6,-0.2 2,-0.3 -3,-0.1 125,-0.2 -0.975 25.9 163.2-127.7 142.9 12.8 24.0 11.1 17 42 A a E -C 9 0B 6 -8,-2.4 -8,-2.0 -2,-0.4 2,-0.4 -0.810 32.0-112.0-140.3-176.1 16.2 25.0 12.2 18 43 A S E -C 8 0B 0 125,-2.9 16,-0.3 -2,-0.3 -10,-0.2 -0.925 30.6-107.4-123.1 152.0 19.7 24.7 10.8 19 44 A V - 0 0 0 -12,-2.2 -13,-2.9 -2,-0.4 127,-0.9 -0.487 26.0-165.7 -75.5 141.3 22.7 22.6 12.0 20 45 A G - 0 0 0 12,-1.8 2,-0.3 125,-0.3 126,-0.2 0.931 58.1 -25.9 -91.1 -73.0 25.5 24.6 13.7 21 46 A F E -E 32 0B 3 11,-1.0 11,-2.1 -16,-0.1 -1,-0.3 -0.982 55.0-112.5-148.9 143.0 28.5 22.3 13.9 22 47 A S E +E 31 0B 4 54,-0.5 174,-2.8 -2,-0.3 2,-0.3 -0.559 45.4 166.4 -74.5 134.0 29.4 18.6 14.1 23 48 A V E -EF 30 195B 0 7,-2.3 7,-2.4 -2,-0.3 2,-0.3 -0.941 24.5-139.3-142.2 159.1 30.9 17.6 17.5 24 48AA T E -EF 29 194B 49 170,-3.1 170,-3.5 -2,-0.3 2,-0.2 -0.857 6.1-163.8-120.9 160.4 31.6 14.4 19.4 25 48BA R E > S-E 28 0B 113 3,-2.7 3,-2.0 1,-0.5 168,-0.1 -0.742 71.5 -56.1-132.1 84.1 31.2 13.4 23.0 26 48CA G T 3 S- 0 0 74 1,-0.3 -1,-0.5 -2,-0.2 168,-0.1 -0.442 123.3 -19.5 67.9-146.3 33.3 10.3 23.7 27 48DA A T 3 S+ 0 0 109 -3,-0.1 2,-0.3 -2,-0.1 -1,-0.3 0.436 120.4 106.9 -66.3 -3.2 32.0 7.7 21.1 28 49 A T E < -E 25 0B 54 -3,-2.0 -3,-2.7 40,-0.0 2,-0.4 -0.726 59.2-148.0 -89.1 140.2 28.7 9.8 20.7 29 50 A K E +EG 24 69B 59 40,-0.6 40,-3.8 -2,-0.3 2,-0.3 -0.819 30.5 141.6-100.4 145.2 28.0 12.0 17.7 30 51 A G E -EG 23 68B 0 -7,-2.4 -7,-2.3 -2,-0.4 2,-0.3 -0.894 37.0-131.9-157.4-173.7 26.0 15.2 17.8 31 52 A F E -EG 22 67B 0 36,-1.3 36,-2.0 -2,-0.3 2,-0.3 -0.978 25.4-123.6-145.9 147.1 25.7 18.7 16.4 32 53 A V E +EG 21 66B 0 -11,-2.1 -12,-1.8 -2,-0.3 -11,-1.0 -0.682 39.9 159.8 -94.0 145.8 25.2 21.9 18.4 33 54 A T E - G 0 65B 0 32,-1.8 32,-1.4 -2,-0.3 2,-0.3 -0.718 45.4 -58.4-146.2-169.7 22.2 24.1 17.6 34 55 A A > - 0 0 0 -16,-0.3 3,-1.7 -2,-0.2 4,-0.5 -0.672 37.7-134.3 -84.9 141.0 20.0 26.8 19.1 35 56 A G G > S+ 0 0 0 23,-0.3 3,-1.0 -2,-0.3 24,-0.2 0.870 103.1 60.0 -61.1 -37.5 18.3 26.0 22.4 36 57 A H G 3 S+ 0 0 37 1,-0.2 -1,-0.3 22,-0.2 3,-0.1 0.446 87.8 74.8 -71.6 -4.8 15.0 27.5 21.2 37 58 A a G < S- 0 0 10 -3,-1.7 2,-0.3 1,-0.1 -1,-0.2 0.777 108.7 -4.3 -77.8 -33.5 14.8 25.0 18.3 38 59 A G < - 0 0 7 -3,-1.0 2,-0.3 -4,-0.5 -1,-0.1 -0.935 61.8-117.4-148.4 176.1 13.7 22.1 20.5 39 62 A T > - 0 0 72 -2,-0.3 3,-3.3 1,-0.1 15,-0.4 -0.796 56.6 -73.2-113.4 162.5 13.1 20.6 23.9 40 63 A V T 3 S+ 0 0 66 -2,-0.3 15,-0.2 1,-0.3 -1,-0.1 -0.248 123.5 19.4 -52.4 144.0 15.0 17.8 25.5 41 64 A N T 3 S+ 0 0 127 13,-2.8 -1,-0.3 1,-0.3 14,-0.1 0.109 86.7 141.5 71.9 -7.2 13.9 14.6 23.8 42 65 A A < - 0 0 3 -3,-3.3 12,-1.7 1,-0.1 2,-0.5 -0.252 54.6-114.8 -65.4 145.8 12.5 16.2 20.6 43 65AA T E - H 0 53B 38 10,-0.2 -31,-2.8 -3,-0.1 2,-0.4 -0.692 23.1-154.3 -87.3 127.4 13.2 14.3 17.4 44 66 A A E -DH 11 52B 0 8,-2.6 7,-2.2 -2,-0.5 8,-1.2 -0.818 12.5-168.8-100.6 132.1 15.4 15.9 14.8 45 67 A R E -DH 10 50B 48 -35,-1.9 -35,-1.9 -2,-0.4 2,-0.5 -0.991 12.9-160.9-130.1 142.8 14.9 14.8 11.1 46 80 A I E > S- H 0 49B 25 3,-2.1 3,-1.8 -2,-0.4 -37,-0.1 -0.990 84.1 -14.5-125.7 114.7 17.1 15.4 8.1 47 81 A G T 3 S- 0 0 82 -2,-0.5 -1,-0.1 1,-0.3 3,-0.1 0.909 129.6 -52.5 53.9 51.9 15.2 14.9 4.8 48 82 A G T 3 S+ 0 0 65 1,-0.2 2,-0.4 -3,-0.1 -1,-0.3 0.216 115.8 110.5 73.7 -9.8 12.4 13.1 6.5 49 83 A A E < S-H 46 0B 55 -3,-1.8 -3,-2.1 2,-0.0 2,-0.3 -0.745 73.7-115.0 -99.9 139.6 14.7 10.5 8.3 50 84 A V E +H 45 0B 76 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.633 37.0 169.0 -66.4 126.5 15.2 10.5 12.1 51 85 A V E - 0 0 2 -7,-2.2 19,-2.7 1,-0.3 2,-0.3 0.536 57.2 -59.8-113.0 -20.7 18.9 11.4 12.9 52 86 A G E -HI 44 69B 5 -8,-1.2 -8,-2.6 17,-0.3 -1,-0.3 -0.993 49.2 -93.9 170.9-161.6 18.6 11.9 16.7 53 87 A T E -HI 43 68B 51 15,-1.7 15,-2.6 -2,-0.3 2,-0.3 -0.936 45.5 -81.1-146.0 161.0 17.1 13.8 19.6 54 88 A F E - I 0 67B 0 -12,-1.7 -13,-2.8 -15,-0.4 13,-0.3 -0.569 35.9-172.0 -70.1 126.6 17.8 16.8 21.7 55 89 A A E - 0 0 37 11,-3.0 2,-0.3 1,-0.4 12,-0.2 0.827 66.6 -26.1 -87.1 -39.3 20.2 15.7 24.5 56 90 A A E + I 0 66B 20 10,-1.1 10,-1.4 -17,-0.1 -1,-0.4 -0.919 63.7 176.4-163.5 158.5 20.1 18.9 26.5 57 91 A R E - I 0 65B 71 -2,-0.3 2,-0.4 8,-0.2 8,-0.3 -0.951 19.0-144.6-160.7 168.1 19.4 22.7 25.9 58 93 A V E - I 0 64B 39 6,-2.7 6,-1.8 -2,-0.3 -23,-0.3 -0.963 24.1-179.4-135.9 122.3 19.1 26.0 27.6 59 94 A F + 0 0 29 -2,-0.4 2,-0.2 4,-0.2 4,-0.2 -0.835 56.3 19.2-166.0 133.6 16.6 28.7 26.5 60 99AA P S S+ 0 0 45 0, 0.0 2,-1.9 0, 0.0 68,-0.2 0.543 122.0 40.8 -81.7-159.4 15.9 31.5 27.5 61 100 A G B S+j 128 0C 36 66,-2.9 68,-2.3 -2,-0.2 2,-0.2 -0.535 137.1 9.9 93.5 -69.2 18.8 32.8 29.6 62 101 A N S S- 0 0 51 -2,-1.9 2,-0.2 66,-0.2 68,-0.1 -0.538 77.6-135.7-117.1-168.6 21.2 31.3 27.1 63 102 A D + 0 0 0 -2,-0.2 2,-0.3 -4,-0.2 -4,-0.2 -0.615 52.7 122.7-152.0 80.6 20.2 29.8 23.7 64 103 A R E + I 0 58B 19 -6,-1.8 -6,-2.7 -30,-0.3 2,-0.3 -0.956 23.4 163.9-146.3 153.4 22.1 26.4 23.2 65 104 A A E -GI 33 57B 0 -32,-1.4 -32,-1.8 -2,-0.3 2,-0.3 -0.911 18.8-153.3-160.4 162.1 21.3 22.7 22.5 66 105 A W E -GI 32 56B 8 -10,-1.4 -11,-3.0 -2,-0.3 -10,-1.1 -0.982 12.5-151.8-142.2 140.1 23.2 19.6 21.3 67 106 A V E -GI 31 54B 0 -36,-2.0 -36,-1.3 -2,-0.3 2,-0.5 -0.983 13.8-136.9-112.2 127.6 21.3 16.8 19.5 68 107 A S E -GI 30 53B 31 -15,-2.6 -15,-1.7 -2,-0.5 -38,-0.3 -0.780 23.5-144.7 -94.6 143.1 22.8 13.4 19.9 69 108 A L E -GI 29 52B 16 -40,-3.8 -40,-0.6 -2,-0.5 -17,-0.3 -0.618 14.8-106.8-102.4 158.3 22.9 11.3 16.7 70 109 A T > - 0 0 68 -19,-2.7 3,-1.0 -2,-0.2 -1,-0.1 -0.167 40.5-110.6 -67.8 167.4 22.5 7.7 15.7 71 110 A S T 3 S+ 0 0 99 1,-0.3 -1,-0.1 -43,-0.0 -2,-0.0 0.704 111.6 74.8 -76.0 -22.9 25.8 6.1 14.8 72 111 A A T 3 S+ 0 0 77 -21,-0.1 -1,-0.3 2,-0.1 2,-0.0 0.615 76.6 97.9 -65.8 -21.8 24.7 5.9 11.2 73 112 A Q < - 0 0 12 -3,-1.0 2,-0.6 -22,-0.2 -71,-0.2 -0.286 68.2-137.6 -70.5 154.8 25.2 9.7 10.7 74 113 A T E -a 2 0A 64 -73,-1.9 -71,-4.2 -2,-0.0 2,-0.4 -0.984 14.7-153.6-115.0 111.2 28.4 11.0 9.1 75 114 A L E -a 3 0A 28 -2,-0.6 -71,-0.1 -73,-0.2 -44,-0.0 -0.790 13.9-171.1 -85.5 137.8 29.8 14.0 10.8 76 115 A L E - 0 0 33 -73,-2.1 2,-2.2 -2,-0.4 -54,-0.5 -0.958 32.5-125.4-129.6 153.7 32.0 16.4 8.7 77 116 A P E S+ 0 0 17 0, 0.0 11,-2.9 0, 0.0 2,-0.3 -0.258 75.7 110.5 -77.4 49.2 34.1 19.4 9.6 78 117 A R E - B 0 87A 92 -2,-2.2 -73,-3.2 -75,-0.4 2,-0.4 -0.933 53.6-156.0-138.7 161.7 32.2 21.6 7.1 79 118 A V E -aB 5 86A 0 7,-1.9 7,-2.2 -2,-0.3 -73,-0.2 -0.998 34.4-114.4-130.1 130.5 29.8 24.4 6.7 80 119 A A E + B 0 85A 18 -75,-2.5 2,-0.3 -2,-0.4 5,-0.2 -0.375 29.5 177.4 -62.5 126.6 27.7 24.8 3.5 81 120 A N E > - 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