==== 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 05-AUG-91 3LPR . 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) . 7882.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 133 66.2 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 . 81 40.3 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 . 4 2.0 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 . 9 4.5 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 . 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 4 2 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 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 52 0, 0.0 73,-2.4 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 160.1 22.7 11.6 6.5 2 15BA N E -a 74 0A 97 71,-0.2 2,-0.8 73,-0.0 73,-0.2 -0.812 360.0-137.8 -87.8 126.1 25.9 13.7 6.0 3 16 A I E +a 75 0A 0 71,-4.3 73,-1.9 -2,-0.5 2,-0.3 -0.842 34.5 163.0 -95.0 112.2 26.0 16.2 8.8 4 17 A V E > - 0 0 13 -2,-0.8 3,-1.5 71,-0.1 15,-0.3 -0.947 43.8 -99.5-127.2 141.9 27.1 19.7 7.5 5 18 A G E 3 S+a 79 0A 0 73,-3.3 75,-3.1 -2,-0.3 15,-0.2 -0.326 104.3 24.7 -61.3 138.6 26.8 23.1 9.1 6 19 A G T 3 S+ 0 0 4 13,-3.5 -1,-0.2 1,-0.3 102,-0.1 0.202 86.2 128.5 94.3 -13.4 23.9 25.1 7.8 7 29 A I < - 0 0 46 -3,-1.5 12,-2.4 97,-0.1 -1,-0.3 -0.317 60.6-102.1 -79.3 160.4 21.5 22.4 6.5 8 30 A E E +C 18 0B 83 10,-0.2 2,-0.3 96,-0.1 10,-0.2 -0.453 38.2 171.3 -79.0 150.4 17.9 22.0 7.4 9 31 A Y E -C 17 0B 2 8,-1.9 8,-2.5 -2,-0.2 2,-0.3 -0.942 23.1-134.9-146.6 153.4 16.5 19.5 10.0 10 32 A S E -CD 16 45B 23 35,-1.9 35,-1.9 -2,-0.3 2,-0.5 -0.785 9.5-137.8-110.4 156.8 12.9 19.4 11.4 11 33 A I E >> S-CD 15 44B 9 4,-2.5 3,-2.9 -2,-0.3 4,-0.8 -0.973 79.8 -20.8-117.4 124.5 11.9 18.9 15.0 12 34 A N T 34 S- 0 0 84 31,-2.6 -1,-0.2 -2,-0.5 32,-0.1 0.823 116.9 -68.2 43.2 44.0 9.0 16.6 15.9 13 35 A N T 34 S+ 0 0 116 30,-0.4 -1,-0.3 1,-0.1 3,-0.1 0.709 129.2 76.6 53.1 27.6 7.8 16.9 12.3 14 39 A A T <4 S+ 0 0 80 -3,-2.9 -2,-0.2 1,-0.3 -1,-0.1 0.534 79.9 39.0-127.4 -80.2 6.9 20.5 12.9 15 40 A S E < -C 11 0B 71 -4,-0.8 -4,-2.5 22,-0.1 -1,-0.3 -0.258 64.2-138.4 -74.5 159.4 9.5 23.3 13.1 16 41 A L E +C 10 0B 66 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.922 25.5 165.3-115.3 147.2 12.6 23.7 11.0 17 42 A a E -C 9 0B 6 -8,-2.5 -8,-1.9 -2,-0.3 2,-0.4 -0.815 32.1-111.4-143.5 179.3 16.1 24.8 12.2 18 43 A S E -C 8 0B 0 125,-2.9 16,-0.3 -2,-0.3 -10,-0.2 -0.924 31.2-107.5-116.4 151.1 19.6 24.7 10.7 19 44 A V - 0 0 0 -12,-2.4 -13,-3.5 -2,-0.4 127,-0.9 -0.484 26.9-165.4 -75.5 138.1 22.6 22.5 11.9 20 45 A G - 0 0 0 12,-1.7 2,-0.3 125,-0.3 126,-0.3 0.943 57.0 -28.8 -83.5 -84.3 25.3 24.4 13.7 21 46 A F E -E 32 0B 2 11,-0.9 11,-2.4 -16,-0.1 2,-0.3 -0.989 56.2-110.1-144.0 142.8 28.4 22.2 13.9 22 47 A S E +E 31 0B 4 54,-0.5 174,-2.4 -2,-0.3 2,-0.3 -0.549 47.8 167.0 -70.1 136.0 29.3 18.5 14.0 23 48 A V E -EF 30 195B 0 7,-2.8 7,-2.3 -2,-0.3 2,-0.3 -0.918 25.6-138.7-145.0 168.4 30.7 17.4 17.4 24 48AA T E -EF 29 194B 49 170,-2.2 170,-3.1 -2,-0.3 2,-0.3 -0.942 6.7-166.1-133.0 155.2 31.5 14.4 19.4 25 48BA R E > S-E 28 0B 113 3,-2.5 3,-2.4 -2,-0.3 168,-0.1 -0.820 73.8 -58.0-134.7 88.1 31.1 13.5 23.0 26 48CA G T 3 S- 0 0 72 -2,-0.3 -1,-0.3 1,-0.3 168,-0.1 -0.513 122.7 -18.0 66.7-139.2 33.3 10.4 23.6 27 48DA A T 3 S+ 0 0 108 -3,-0.1 2,-0.4 -2,-0.1 -1,-0.3 0.450 118.0 105.2 -74.9 -4.1 31.9 7.8 21.1 28 49 A T E < -E 25 0B 50 -3,-2.4 -3,-2.5 40,-0.0 2,-0.3 -0.694 60.6-148.4 -83.6 136.3 28.6 9.8 20.7 29 50 A K E +E 24 0B 64 40,-0.5 40,-2.7 -2,-0.4 2,-0.3 -0.677 32.2 146.8 -93.1 150.4 28.1 11.8 17.5 30 51 A G E -EG 23 68B 0 -7,-2.3 -7,-2.8 -2,-0.3 2,-0.3 -0.941 37.2-129.1-161.1-177.8 26.0 15.0 17.7 31 52 A F E -EG 22 67B 0 36,-1.5 36,-2.4 -2,-0.3 2,-0.3 -0.974 22.2-126.9-141.9 146.8 25.6 18.5 16.3 32 53 A V E +EG 21 66B 0 -11,-2.4 -12,-1.7 -2,-0.3 -11,-0.9 -0.685 40.9 152.7 -93.3 149.4 25.2 21.8 18.2 33 54 A T E - G 0 65B 0 32,-2.5 32,-1.8 -2,-0.3 2,-0.2 -0.794 46.8 -53.7-155.1-170.7 22.2 24.0 17.5 34 55 A A > - 0 0 0 -16,-0.3 3,-1.4 -2,-0.2 4,-0.3 -0.576 36.2-138.8 -82.7 142.1 19.9 26.6 19.0 35 56 A G G > S+ 0 0 0 23,-0.3 3,-1.2 1,-0.3 24,-0.2 0.853 102.3 61.1 -65.7 -39.2 18.1 25.8 22.3 36 57 A H G 3 S+ 0 0 40 1,-0.2 -1,-0.3 22,-0.2 23,-0.1 0.585 88.5 76.3 -66.0 -11.5 14.9 27.4 21.1 37 58 A a G < S- 0 0 10 -3,-1.4 2,-0.3 1,-0.1 -1,-0.2 0.741 108.1 -12.2 -69.6 -30.5 14.7 24.8 18.3 38 59 A G < - 0 0 8 -3,-1.2 2,-0.3 -4,-0.3 -1,-0.1 -0.977 60.1-112.0-158.2 172.7 13.6 21.9 20.5 39 62 A T > - 0 0 72 -2,-0.3 3,-3.3 1,-0.1 15,-0.4 -0.710 58.4 -72.3-107.6 164.6 13.0 20.3 23.9 40 63 A V T 3 S+ 0 0 68 1,-0.3 15,-0.2 -2,-0.3 -1,-0.1 -0.277 123.4 17.9 -52.0 142.6 15.0 17.5 25.4 41 64 A N T 3 S+ 0 0 123 13,-2.8 -1,-0.3 1,-0.3 14,-0.1 0.202 87.7 144.3 70.0 0.5 14.0 14.2 23.6 42 65 A A < - 0 0 3 -3,-3.3 12,-2.0 1,-0.1 2,-0.5 -0.334 53.2-115.2 -64.5 149.6 12.5 16.0 20.6 43 65AA T E - H 0 53B 35 10,-0.2 -31,-2.6 -3,-0.1 -30,-0.4 -0.742 24.2-155.5 -89.7 129.8 13.1 14.1 17.4 44 66 A A E -DH 11 52B 0 8,-2.3 7,-2.3 -2,-0.5 8,-1.1 -0.841 10.4-169.2-104.1 139.7 15.3 15.6 14.6 45 67 A R E -DH 10 50B 51 -35,-1.9 -35,-1.9 -2,-0.4 2,-0.4 -0.951 11.4-163.0-128.7 147.8 14.9 14.5 11.0 46 80 A I E > S- H 0 49B 23 3,-2.8 3,-2.3 -2,-0.4 -37,-0.1 -0.998 83.7 -10.8-132.4 120.5 17.0 15.2 8.0 47 81 A G T 3 S- 0 0 87 -2,-0.4 -1,-0.1 1,-0.3 3,-0.1 0.841 131.2 -55.2 56.4 43.0 15.4 14.6 4.6 48 82 A G T 3 S+ 0 0 66 1,-0.2 2,-0.4 -3,-0.0 -1,-0.3 0.364 115.4 114.5 73.2 -1.5 12.5 12.9 6.3 49 83 A A E < S-H 46 0B 55 -3,-2.3 -3,-2.8 1,-0.0 2,-0.2 -0.852 72.4-114.4-105.4 140.6 14.8 10.4 8.2 50 84 A V E +H 45 0B 77 -2,-0.4 -5,-0.2 -5,-0.2 3,-0.1 -0.504 37.9 169.6 -67.9 129.3 15.2 10.3 11.9 51 85 A V E - 0 0 1 -7,-2.3 19,-2.3 1,-0.4 2,-0.3 0.596 55.6 -55.4-118.5 -21.0 18.8 11.2 12.7 52 86 A G E -HI 44 69B 5 -8,-1.1 -8,-2.3 17,-0.3 -1,-0.4 -0.966 51.8 -95.3 171.6-161.9 18.8 11.7 16.6 53 87 A T E -HI 43 68B 49 15,-1.9 15,-2.3 -2,-0.3 2,-0.3 -0.952 43.1 -85.8-146.1 159.5 17.1 13.6 19.5 54 88 A F E - I 0 67B 0 -12,-2.0 -13,-2.8 -15,-0.4 13,-0.3 -0.624 37.8-174.7 -65.0 125.3 17.8 16.7 21.5 55 89 A A E - 0 0 35 11,-2.7 2,-0.3 1,-0.4 -1,-0.2 0.679 64.3 -14.9 -94.2 -26.5 20.0 15.6 24.4 56 90 A A E + I 0 66B 18 10,-1.3 10,-1.7 -17,-0.1 -1,-0.4 -0.962 60.9 175.8-166.1 155.7 20.1 18.9 26.2 57 91 A R E - I 0 65B 77 -2,-0.3 2,-0.4 8,-0.2 8,-0.3 -0.978 18.4-152.3-161.7 162.2 19.2 22.5 25.8 58 93 A V E + I 0 64B 39 6,-2.6 6,-2.1 -2,-0.3 -23,-0.3 -0.942 26.8 179.9-136.1 118.9 19.1 25.8 27.7 59 94 A F + 0 0 25 -2,-0.4 2,-0.2 4,-0.2 4,-0.2 -0.779 54.3 18.0-169.8 132.5 16.5 28.5 26.5 60 99AA P S S+ 0 0 49 0, 0.0 2,-1.3 0, 0.0 68,-0.2 0.657 121.7 41.9 -83.5-157.9 15.8 31.3 27.4 61 100 A G B S+j 128 0C 32 66,-3.0 68,-2.7 -2,-0.2 2,-0.2 -0.623 136.9 10.3 95.2 -70.8 18.6 32.7 29.6 62 101 A N S S- 0 0 51 -2,-1.3 2,-0.1 66,-0.2 68,-0.1 -0.614 79.2-135.3-119.3-173.5 21.1 31.2 27.0 63 102 A D + 0 0 0 -2,-0.2 2,-0.3 -4,-0.2 119,-0.2 -0.554 52.7 118.1-151.7 78.6 20.1 29.7 23.6 64 103 A R E + I 0 58B 18 -6,-2.1 -6,-2.6 -30,-0.3 2,-0.3 -0.977 23.9 160.6-147.4 156.1 21.9 26.3 23.0 65 104 A A E -GI 33 57B 0 -32,-1.8 -32,-2.5 -2,-0.3 2,-0.3 -0.970 21.1-146.6-163.6 166.1 21.4 22.7 22.5 66 105 A W E -GI 32 56B 9 -10,-1.7 -11,-2.7 -2,-0.3 -10,-1.3 -0.980 12.0-149.7-138.9 139.6 23.1 19.5 21.2 67 106 A V E -GI 31 54B 0 -36,-2.4 -36,-1.5 -2,-0.3 2,-0.5 -0.972 14.1-140.1-108.5 125.3 21.3 16.6 19.4 68 107 A S E -GI 30 53B 31 -15,-2.3 -15,-1.9 -2,-0.4 -38,-0.3 -0.801 25.7-152.4 -89.4 137.3 22.9 13.2 19.9 69 108 A L E - I 0 52B 16 -40,-2.7 -40,-0.5 -2,-0.5 -17,-0.3 -0.569 15.9 -96.9-102.9 169.9 22.7 11.3 16.6 70 109 A T > - 0 0 65 -19,-2.3 3,-2.0 -2,-0.2 -1,-0.1 -0.348 39.4-105.5 -80.4 162.7 22.6 7.6 15.7 71 110 A S T 3 S+ 0 0 105 1,-0.3 -1,-0.1 -2,-0.1 -2,-0.0 0.720 113.8 69.4 -55.4 -31.2 25.7 5.8 14.7 72 111 A A T 3 S+ 0 0 77 -21,-0.1 -1,-0.3 2,-0.1 2,-0.1 0.585 77.3 100.3 -70.9 -17.0 24.7 5.8 11.1 73 112 A Q < - 0 0 12 -3,-2.0 2,-0.6 -22,-0.2 -71,-0.2 -0.392 67.4-135.9 -75.8 149.9 25.2 9.6 10.6 74 113 A T E -a 2 0A 63 -73,-2.4 -71,-4.3 -2,-0.1 2,-0.4 -0.952 14.7-152.2-108.6 111.3 28.3 11.0 9.0 75 114 A L E -a 3 0A 28 -2,-0.6 -71,-0.1 -73,-0.2 -44,-0.0 -0.684 15.0-170.6 -84.8 134.6 29.8 13.9 10.8 76 115 A L E - 0 0 35 -73,-1.9 2,-1.5 -2,-0.4 -54,-0.5 -0.966 30.5-130.7-127.4 146.6 31.8 16.3 8.6 77 116 A P E S+ 0 0 16 0, 0.0 11,-2.4 0, 0.0 2,-0.3 -0.442 74.7 105.5 -84.2 54.8 34.0 19.3 9.5 78 117 A R E - B 0 87A 93 -2,-1.5 -73,-3.3 -75,-0.3 2,-0.4 -0.963 56.0-151.0-142.0 158.1 32.2 21.5 7.0 79 118 A V E -aB 5 86A 0 7,-2.1 7,-2.4 -2,-0.3 -73,-0.2 -0.995 34.9-111.4-125.6 134.1 29.7 24.4 6.7 80 119 A A E + B 0 85A 18 -75,-3.1 2,-0.3 -2,-0.4 5,-0.2 -0.428 32.8 175.2 -68.0 135.6 27.6 24.8 3.6 81 120 A N E > - 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