==== 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 06-SEP-95 1GBI . COMPND 2 MOLECULE: ALPHA-LYTIC PROTEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: LYSOBACTER ENZYMOGENES; . AUTHOR J.E.MACE,D.A.AGARD . 201 2 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7854.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 137 68.2 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 . 79 39.3 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 . 3 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 4 2.0 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 . 15 7.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 9.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 8 4.0 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 0 1 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 5 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 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 55 0, 0.0 73,-1.8 0, 0.0 2,-0.6 0.000 360.0 360.0 360.0 146.0 22.5 12.0 6.4 2 15BA N E -a 74 0A 97 71,-0.2 2,-0.8 73,-0.0 73,-0.2 -0.817 360.0-135.7 -85.7 123.8 25.8 13.8 6.0 3 16 A I E +a 75 0A 0 71,-3.1 73,-1.5 -2,-0.6 75,-0.3 -0.817 37.0 161.8 -88.1 111.7 25.9 16.3 8.9 4 17 A V E > - 0 0 14 -2,-0.8 3,-1.1 71,-0.1 15,-0.3 -0.938 44.3-103.2-125.8 139.7 27.1 19.6 7.4 5 18 A G E 3 S+a 79 0A 0 73,-2.5 75,-2.9 -2,-0.3 15,-0.2 -0.452 102.8 30.6 -68.5 139.5 26.6 23.0 9.3 6 19 A G T 3 S+ 0 0 4 13,-3.3 -1,-0.2 1,-0.3 102,-0.2 0.195 87.4 124.4 102.0 -14.0 23.8 25.2 7.8 7 31 A I < - 0 0 45 -3,-1.1 12,-2.0 97,-0.1 -1,-0.3 -0.372 62.8-100.0 -86.2 159.8 21.5 22.5 6.5 8 32 A E E +C 18 0B 88 10,-0.2 2,-0.3 96,-0.1 10,-0.2 -0.471 39.0 168.9 -75.5 146.8 17.8 22.0 7.5 9 33 A Y E -C 17 0B 1 8,-1.5 8,-1.9 -2,-0.2 2,-0.3 -0.957 25.4-130.8-150.7 150.3 16.5 19.6 10.0 10 34 A S E -CD 16 45B 20 35,-2.0 35,-1.8 -2,-0.3 2,-0.5 -0.778 8.7-140.6-106.1 155.5 12.9 19.4 11.5 11 35 A I E >> S-CD 15 44B 8 4,-2.1 3,-1.2 -2,-0.3 4,-1.0 -0.958 81.7 -20.1-119.3 116.7 12.0 19.1 15.1 12 36 A N T 34 S- 0 0 84 31,-2.6 -1,-0.2 -2,-0.5 32,-0.1 0.862 118.2 -64.4 53.5 43.1 9.0 16.8 15.9 13 38 A N T 34 S+ 0 0 116 30,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.760 130.1 66.2 54.5 32.0 7.7 16.9 12.3 14 39 A A T <4 S+ 0 0 74 -3,-1.2 -2,-0.2 1,-0.4 -1,-0.1 0.484 80.4 46.2-146.1 -78.1 7.0 20.6 12.6 15 40 A S E < -C 11 0B 74 -4,-1.0 -4,-2.1 22,-0.1 -1,-0.4 -0.368 63.5-141.8 -77.2 161.8 9.6 23.5 13.1 16 41 A L E +C 10 0B 63 -6,-0.2 2,-0.2 -3,-0.1 127,-0.2 -0.934 26.2 157.3-121.2 147.7 12.8 23.9 11.1 17 42 A a E -C 9 0B 5 -8,-1.9 -8,-1.5 -2,-0.4 2,-0.3 -0.818 34.8-107.4-146.5-168.0 16.2 25.0 12.1 18 43 A S E -C 8 0B 0 125,-2.5 16,-0.3 -2,-0.2 -10,-0.2 -0.928 30.8-103.8-134.5 151.3 19.7 24.6 10.7 19 44 A V - 0 0 0 -12,-2.0 -13,-3.3 -2,-0.3 127,-0.8 -0.508 26.4-167.0 -72.5 135.5 22.6 22.5 11.9 20 44AA G - 0 0 0 12,-2.2 2,-0.3 125,-0.3 126,-0.3 0.913 58.6 -25.8 -88.9 -67.8 25.4 24.5 13.7 21 45 A F E -E 32 0B 3 11,-1.0 11,-2.0 -16,-0.1 2,-0.3 -0.995 54.9-110.6-153.7 146.5 28.4 22.1 13.9 22 46 A S E +E 31 0B 5 54,-0.4 174,-2.4 -2,-0.3 2,-0.3 -0.571 47.0 165.4 -76.8 131.7 29.4 18.4 14.1 23 47 A V E -EF 30 195B 0 7,-2.6 7,-2.1 -2,-0.3 2,-0.3 -0.890 24.6-145.1-141.0 169.6 30.7 17.5 17.5 24 48 A T E -EF 29 194B 46 170,-1.9 170,-2.5 -2,-0.3 2,-0.4 -0.964 7.0-162.8-135.4 149.8 31.4 14.3 19.5 25 48AA R E > S-E 28 0B 123 3,-2.1 3,-1.9 -2,-0.3 168,-0.1 -0.834 74.0 -57.1-129.6 94.0 31.1 13.5 23.2 26 48BA G T 3 S- 0 0 66 -2,-0.4 -1,-0.3 1,-0.3 168,-0.1 -0.445 123.0 -13.0 72.3-139.8 33.2 10.4 23.5 27 48CA A T 3 S+ 0 0 108 -3,-0.1 2,-0.4 -2,-0.1 -1,-0.3 0.486 117.0 103.8 -67.1 -8.4 31.9 7.8 21.1 28 49 A T E < -E 25 0B 58 -3,-1.9 -3,-2.1 40,-0.0 2,-0.2 -0.681 62.2-145.0 -88.0 130.1 28.6 9.8 20.6 29 50 A K E +E 24 0B 61 -2,-0.4 40,-2.6 40,-0.4 2,-0.3 -0.611 34.5 148.2 -82.5 148.0 28.1 11.8 17.3 30 51 A G E -EG 23 68B 0 -7,-2.1 -7,-2.6 38,-0.3 2,-0.3 -0.956 35.3-135.6-163.6 177.2 26.2 15.1 17.7 31 52 A F E -EG 22 67B 0 36,-1.2 36,-2.2 -2,-0.3 2,-0.3 -0.987 20.3-127.4-144.6 143.5 25.6 18.6 16.4 32 53 A V E +EG 21 66B 0 -11,-2.0 -12,-2.2 -2,-0.3 -11,-1.0 -0.709 40.5 149.2 -89.9 150.2 25.2 21.9 18.2 33 54 A T E - G 0 65B 0 32,-2.0 32,-1.3 -2,-0.3 2,-0.3 -0.796 49.6 -53.2-159.6-168.9 22.2 24.1 17.4 34 55 A A > - 0 0 0 -16,-0.3 3,-1.3 -2,-0.2 4,-0.4 -0.670 35.3-135.1 -92.3 145.6 19.9 26.5 19.1 35 56 A G G > S+ 0 0 0 23,-0.4 3,-1.0 -2,-0.3 24,-0.2 0.851 103.0 58.4 -60.5 -36.4 18.1 25.8 22.4 36 57 A H G 3 S+ 0 0 35 1,-0.2 -1,-0.3 22,-0.2 3,-0.1 0.524 89.1 76.8 -75.9 -5.6 14.8 27.3 21.3 37 58 A a G < S- 0 0 9 -3,-1.3 2,-0.3 1,-0.2 -1,-0.2 0.823 109.2 -9.3 -76.5 -28.2 14.7 24.8 18.3 38 59 A G < - 0 0 7 -3,-1.0 2,-0.3 -4,-0.4 -1,-0.2 -0.974 62.3-116.6-160.9 167.4 13.6 21.9 20.4 39 59AA T > - 0 0 74 -2,-0.3 3,-2.3 1,-0.1 15,-0.4 -0.710 59.5 -66.2-104.2 172.1 13.1 20.5 23.9 40 59BA V T 3 S+ 0 0 67 1,-0.3 15,-0.2 -2,-0.3 -1,-0.1 -0.293 123.8 12.9 -64.7 131.7 15.0 17.6 25.4 41 60 A N T 3 S+ 0 0 119 13,-3.1 -1,-0.3 1,-0.3 14,-0.1 0.372 86.4 145.4 75.6 10.0 14.2 14.4 23.5 42 61 A A < - 0 0 2 -3,-2.3 12,-2.0 12,-0.1 2,-0.5 -0.428 54.4-110.2 -66.3 146.8 12.4 16.1 20.6 43 62 A T E - H 0 53B 39 10,-0.2 -31,-2.6 -3,-0.1 -30,-0.4 -0.748 25.7-154.7 -91.5 122.9 13.1 14.2 17.3 44 64 A A E -DH 11 52B 0 8,-2.5 7,-2.0 -2,-0.5 8,-1.1 -0.742 12.3-170.7 -95.3 143.2 15.3 15.7 14.7 45 65 A R E -DH 10 50B 45 -35,-1.8 -35,-2.0 -2,-0.3 2,-0.5 -0.982 13.3-163.7-132.6 143.0 14.9 14.6 11.1 46 66 A I E > S- H 0 49B 27 3,-2.8 3,-0.7 -2,-0.4 -37,-0.1 -0.970 83.1 -15.6-131.6 109.6 17.0 15.3 8.1 47 67 A G T 3 S- 0 0 88 -2,-0.5 2,-0.6 1,-0.3 -1,-0.1 0.855 129.3 -50.3 71.3 40.2 15.2 14.7 4.8 48 81 A G T 3 S+ 0 0 58 1,-0.2 -1,-0.3 -38,-0.0 2,-0.2 -0.320 116.7 107.0 94.5 -50.5 12.3 12.6 6.4 49 82 A A E < S-H 46 0B 60 -3,-0.7 -3,-2.8 -2,-0.6 2,-0.3 -0.372 74.6-115.8 -72.9 141.2 14.7 10.3 8.3 50 83 A V E +H 45 0B 73 -5,-0.2 -5,-0.3 -2,-0.2 -1,-0.1 -0.508 35.1 171.2 -70.6 123.1 15.2 10.4 12.0 51 84 A V E - 0 0 1 -7,-2.0 19,-2.0 1,-0.3 2,-0.3 0.631 55.7 -48.4-110.7 -20.0 18.8 11.4 12.8 52 85 A G E -HI 44 69B 4 -8,-1.1 -8,-2.5 17,-0.3 -1,-0.3 -0.985 50.1 -97.4 172.1-172.3 18.7 11.9 16.6 53 87 A T E -HI 43 68B 54 15,-1.7 15,-1.7 -2,-0.3 2,-0.5 -0.934 44.0 -90.3-136.6 155.4 17.0 13.5 19.6 54 88 A F E - I 0 67B 0 -12,-2.0 -13,-3.1 -15,-0.4 13,-0.2 -0.590 38.2-175.5 -69.7 119.4 17.7 16.7 21.7 55 88AA A E - 0 0 35 11,-2.4 2,-0.3 -2,-0.5 -1,-0.2 0.851 64.2 -15.0 -83.3 -39.0 20.1 15.7 24.5 56 89 A A E + I 0 66B 21 10,-1.2 10,-1.8 -17,-0.1 -1,-0.4 -0.963 63.2 173.0-160.8 159.1 20.2 18.9 26.3 57 90 A R E - I 0 65B 73 -2,-0.3 2,-0.4 8,-0.2 8,-0.3 -0.961 17.6-153.7-165.1 162.5 19.3 22.6 25.8 58 91 A V E + I 0 64B 40 6,-2.6 6,-2.8 -2,-0.3 -23,-0.4 -0.921 23.9 178.0-151.2 118.8 19.0 25.9 27.6 59 94 A F + 0 0 25 -2,-0.4 4,-0.2 1,-0.3 2,-0.1 -0.822 55.4 21.0-166.6 139.7 16.6 28.5 26.4 60 95 A P S S+ 0 0 47 0, 0.0 2,-1.1 0, 0.0 -1,-0.3 0.739 121.4 41.9 -75.9-160.0 15.9 31.2 27.4 61 100 A G B S+j 128 0C 35 66,-1.7 68,-2.6 -2,-0.1 2,-0.2 -0.649 138.0 8.4 97.0 -64.6 18.7 32.6 29.6 62 101 A N S S- 0 0 53 -2,-1.1 2,-0.2 66,-0.2 68,-0.1 -0.601 77.7-135.5-126.2-179.9 21.1 31.1 27.0 63 102 A D + 0 0 1 -2,-0.2 2,-0.3 -4,-0.2 -4,-0.2 -0.657 53.8 121.1-145.3 87.7 20.1 29.7 23.7 64 103 A R E + I 0 58B 20 -6,-2.8 -6,-2.6 -30,-0.3 2,-0.3 -0.986 22.6 158.4-149.6 151.6 22.0 26.4 23.2 65 104 A A E -GI 33 57B 0 -32,-1.3 -32,-2.0 -2,-0.3 2,-0.4 -0.948 21.6-146.7-162.4 156.6 21.3 22.7 22.5 66 105 A W E -GI 32 56B 11 -10,-1.8 -11,-2.4 -2,-0.3 -10,-1.2 -0.986 11.1-145.8-131.0 150.6 23.0 19.6 21.1 67 106 A V E -GI 31 54B 0 -36,-2.2 -36,-1.2 -2,-0.4 2,-0.4 -0.966 12.7-142.3-112.0 114.7 21.4 16.7 19.2 68 107 A S E -GI 30 53B 29 -15,-1.7 -15,-1.7 -2,-0.5 -38,-0.3 -0.693 24.5-149.5 -82.7 133.2 22.9 13.2 19.8 69 108 A L E - I 0 52B 15 -40,-2.6 -40,-0.4 -2,-0.4 -17,-0.3 -0.577 17.1-104.7-101.6 157.8 22.8 11.3 16.6 70 109 A T > - 0 0 67 -19,-2.0 3,-2.3 -2,-0.2 -1,-0.1 -0.591 42.8-109.7 -72.7 151.7 22.5 7.7 15.7 71 110 A S T 3 S+ 0 0 103 1,-0.3 -1,-0.1 -2,-0.2 -20,-0.0 0.569 111.3 78.3 -66.3 -5.6 25.9 6.3 14.7 72 111 A A T 3 S+ 0 0 75 -21,-0.1 -1,-0.3 2,-0.1 -21,-0.0 0.707 74.7 99.9 -68.4 -21.8 24.7 6.0 11.1 73 112 A Q S < S- 0 0 11 -3,-2.3 2,-0.6 -22,-0.2 -71,-0.2 -0.303 70.8-139.2 -67.9 147.7 25.2 9.7 10.7 74 113 A T E -a 2 0A 66 -73,-1.8 -71,-3.1 2,-0.0 2,-0.3 -0.967 15.2-150.6-113.1 107.5 28.4 10.9 9.0 75 114 A L E -a 3 0A 29 -2,-0.6 -71,-0.1 -73,-0.2 -44,-0.1 -0.656 15.9-169.4 -77.4 136.7 29.8 13.9 10.9 76 119 A L E - 0 0 32 -73,-1.5 2,-1.7 -2,-0.3 -54,-0.4 -0.989 29.7-131.6-131.7 137.5 31.7 16.3 8.6 77 120 A P E S+ 0 0 16 0, 0.0 11,-2.8 0, 0.0 121,-0.3 -0.124 74.8 102.3 -75.0 42.2 34.0 19.3 9.5 78 120AA R E - B 0 87A 91 -2,-1.7 -73,-2.5 -75,-0.3 2,-0.4 -0.841 56.4-151.3-128.3 168.5 32.2 21.6 6.9 79 120BA V E -aB 5 86A 0 7,-1.2 7,-1.9 -2,-0.3 -73,-0.2 -0.991 36.1-112.3-133.9 127.9 29.6 24.4 6.7 80 120CA A E + B 0 85A 21 -75,-2.9 5,-0.2 -2,-0.4 2,-0.2 -0.346 34.2 174.4 -66.5 140.7 27.6 24.7 3.6 81 120DA N E > - B 0 84A 56 3,-2.1 3,-2.6 1,-0.3 2,-0.2 -0.745 68.2 -64.2-146.2 87.7 28.1 27.7 1.3 82 120EA G T 3 S- 0 0 71 1,-0.3 -1,-0.3 -2,-0.2 26,-0.0 -0.470 114.4 -23.2 64.3-124.1 26.0 27.2 -1.8 83 120GA S T 3 S+ 0 0 126 -2,-0.2 -1,-0.3 -3,-0.1 2,-0.2 0.278 133.6 75.6 -96.2 9.6 27.4 24.1 -3.5 84 120HA S E < S-B 81 0A 64 -3,-2.6 -3,-2.1 2,-0.0 2,-0.3 -0.457 71.2-140.3-111.7-176.6 30.7 24.7 -1.8 85 120IA F E -B 80 0A 112 -5,-0.2 2,-0.4 -2,-0.2 -5,-0.2 -0.961 7.0-139.2-143.8 154.2 31.9 24.2 1.8 86 120JA V E -B 79 0A 18 -7,-1.9 -7,-1.2 -2,-0.3 2,-0.2 -0.981 30.4-127.7-112.3 131.6 34.0 26.0 4.4 87 120KA T E -B 78 0A 46 -2,-0.4 2,-0.6 -9,-0.2 -9,-0.2 -0.575 17.1-127.3 -79.6 143.7 36.3 23.7 6.5 88 121 A V + 0 0 3 -11,-2.8 110,-2.5 -2,-0.2 65,-0.2 -0.849 34.5 169.1 -94.9 121.8 36.0 24.0 10.2 89 122 A R - 0 0 137 63,-2.6 2,-0.3 -2,-0.6 64,-0.2 0.639 55.5 -50.5-104.8 -30.4 39.5 24.5 11.6 90 123 A G B -r 153 0D 15 62,-1.5 64,-2.9 106,-0.1 -1,-0.3 -0.968 50.6 -91.4 179.7-161.5 38.9 25.5 15.2 91 124 A S + 0 0 37 -2,-0.3 2,-0.4 62,-0.3 94,-0.2 -0.072 49.2 156.1-133.8 38.0 36.9 27.8 17.5 92 125 A T - 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