==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=4-JAN-2010 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 30-AUG-07 2R3U . COMPND 2 MOLECULE: PROTEASE DEGS; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR T.CLAUSEN,R.KURZBAUER . 581 10 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23477.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 390 67.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 204 35.1 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 6 1.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 9 1.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 52 9.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 46 7.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 57 9.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 3 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 2 0 0 3 0 0 0 1 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 PARALLEL BRIDGES PER LADDER . 3 2 12 10 7 4 0 0 1 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 0 0 0 6 0 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 42 A M 0 0 154 0, 0.0 552,-0.1 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 174.8 9.6 -37.4 16.8 2 43 A T - 0 0 121 550,-0.0 3,-0.1 3,-0.0 2,-0.0 -0.918 360.0-112.4-118.4 140.9 6.6 -37.1 19.1 3 44 A P - 0 0 22 0, 0.0 2,-0.2 0, 0.0 505,-0.1 -0.281 36.0 -99.8 -67.3 149.5 3.4 -39.2 19.1 4 45 A A + 0 0 30 503,-0.1 503,-2.4 502,-0.1 2,-0.3 -0.513 61.4 166.4 -66.2 135.3 -0.0 -37.8 18.1 5 46 A S B -A 506 0A 42 501,-0.3 501,-0.3 -2,-0.2 3,-0.2 -1.000 53.5-156.3-158.5 154.5 -1.7 -37.1 21.4 6 47 A Y > + 0 0 27 499,-2.9 4,-1.4 -2,-0.3 3,-0.2 -0.232 64.3 119.8-118.5 36.5 -4.5 -35.3 23.2 7 48 A N H > + 0 0 25 1,-0.2 4,-2.2 2,-0.2 5,-0.2 0.760 61.4 64.4 -74.0 -29.0 -2.4 -35.3 26.4 8 49 A L H > S+ 0 0 82 1,-0.2 4,-0.9 2,-0.2 -1,-0.2 0.847 106.6 44.9 -65.3 -31.1 -2.4 -31.5 26.7 9 50 A A H > S+ 0 0 0 -3,-0.2 4,-2.0 2,-0.2 5,-0.4 0.904 110.5 53.7 -76.8 -42.9 -6.2 -31.7 27.3 10 51 A V H X S+ 0 0 11 -4,-1.4 4,-1.7 1,-0.2 -2,-0.2 0.860 108.2 50.3 -58.4 -39.7 -5.9 -34.6 29.7 11 52 A R H < S+ 0 0 152 -4,-2.2 -1,-0.2 1,-0.2 -2,-0.2 0.797 113.2 45.5 -70.7 -30.1 -3.4 -32.7 31.8 12 53 A R H < S+ 0 0 92 -4,-0.9 -2,-0.2 -3,-0.3 -1,-0.2 0.777 128.4 21.1 -84.6 -28.7 -5.5 -29.6 32.0 13 54 A A H >X S+ 0 0 0 -4,-2.0 3,-2.2 83,-0.1 4,-0.6 0.793 100.0 78.2-111.2 -38.9 -8.9 -31.3 32.8 14 55 A A G >< S+ 0 0 8 -4,-1.7 3,-1.4 -5,-0.4 -3,-0.1 0.827 93.4 57.0 -42.5 -43.9 -8.4 -34.8 34.3 15 56 A P G 34 S+ 0 0 54 0, 0.0 49,-0.5 0, 0.0 -1,-0.3 0.720 103.8 52.9 -62.7 -25.3 -7.5 -33.3 37.7 16 57 A A G <4 S+ 0 0 0 -3,-2.2 23,-3.1 79,-0.2 2,-0.7 0.459 89.6 90.1 -91.8 -1.3 -10.8 -31.4 38.0 17 58 A V E << -B 38 0B 0 -3,-1.4 21,-0.2 -4,-0.6 2,-0.2 -0.863 63.9-165.0-100.6 118.6 -12.9 -34.5 37.3 18 59 A V E -B 37 0B 0 19,-2.1 19,-1.8 -2,-0.7 2,-0.5 -0.568 22.0-115.2-101.2 163.4 -13.9 -36.3 40.4 19 60 A N E -BC 36 62B 15 43,-2.7 43,-2.6 17,-0.2 2,-0.4 -0.861 32.8-155.8 -96.9 123.9 -15.3 -39.8 41.1 20 61 A V E -BC 35 61B 0 15,-2.0 15,-2.0 -2,-0.5 2,-0.4 -0.825 9.8-171.4-106.3 142.9 -18.8 -39.6 42.7 21 62 A Y E -BC 34 60B 40 39,-1.8 39,-2.1 -2,-0.4 2,-0.6 -0.991 15.6-152.5-134.2 140.0 -20.4 -42.3 44.8 22 63 A N E -BC 33 59B 3 11,-2.6 10,-2.9 -2,-0.4 11,-0.6 -0.941 20.0-173.5-112.6 110.3 -23.9 -42.8 46.1 23 64 A R E +BC 31 58B 82 35,-2.7 35,-2.2 -2,-0.6 34,-1.2 -0.890 6.5 175.3-106.5 133.8 -23.9 -44.8 49.4 24 65 A G E -B 30 0B 12 6,-2.8 6,-2.1 -2,-0.4 32,-0.1 -0.942 38.0 -84.7-136.5 158.6 -27.1 -45.9 51.0 25 66 A L E B 29 0B 78 -2,-0.3 4,-0.2 4,-0.2 32,-0.0 -0.298 360.0 360.0 -60.1 140.4 -28.2 -48.0 54.0 26 67 A N 0 0 107 2,-2.0 3,-0.1 0, 0.0 -1,-0.1 0.821 360.0 360.0-106.4 360.0 -28.4 -51.8 53.2 27 ! 0 0 0 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 360.0 0.0 0.0 0.0 28 73 A Q 0 0 176 0, 0.0 -2,-2.0 0, 0.0 2,-0.3 0.000 360.0 360.0 360.0 113.6 -24.3 -51.7 56.6 29 74 A L E +B 25 0B 78 -4,-0.2 2,-0.3 -3,-0.1 -4,-0.2 -0.701 360.0 169.5 -95.0 144.4 -23.8 -48.9 53.8 30 75 A E E -B 24 0B 98 -6,-2.1 -6,-2.8 -2,-0.3 2,-0.7 -0.897 40.8 -85.0-144.4 170.7 -23.0 -49.7 50.1 31 76 A I E -B 23 0B 75 -2,-0.3 -8,-0.3 -8,-0.3 3,-0.1 -0.727 31.1-179.0 -85.5 112.9 -22.8 -48.0 46.7 32 77 A R E S- 0 0 73 -10,-2.9 2,-0.3 -2,-0.7 -1,-0.2 0.983 73.4 -18.2 -70.1 -59.0 -26.2 -47.7 45.0 33 78 A T E -B 22 0B 34 -11,-0.6 -11,-2.6 19,-0.3 2,-0.3 -0.925 61.8-148.6-142.2 166.1 -24.6 -46.0 41.9 34 79 A L E +B 21 0B 21 -2,-0.3 -13,-0.2 -13,-0.2 120,-0.2 -0.988 23.7 149.1-139.6 147.0 -21.5 -44.2 41.0 35 80 A G E -B 20 0B 0 -15,-2.0 -15,-2.0 -2,-0.3 2,-0.3 -0.507 35.7 -96.0-145.2-144.4 -20.7 -41.4 38.6 36 81 A S E -B 19 0B 0 120,-2.6 13,-0.5 -17,-0.3 2,-0.3 -0.892 22.9-161.7-143.9 172.3 -18.4 -38.5 38.1 37 82 A G E -BD 18 48B 0 -19,-1.8 -19,-2.1 -2,-0.3 2,-0.5 -0.964 17.2-128.1-153.5 164.6 -18.4 -34.7 38.6 38 83 A V E -BD 17 47B 0 9,-1.9 9,-1.4 -2,-0.3 2,-0.5 -0.967 21.6-131.5-124.1 113.9 -16.5 -31.6 37.5 39 84 A I E - D 0 46B 0 -23,-3.1 57,-1.8 -2,-0.5 7,-0.2 -0.510 25.0-170.3 -62.6 113.4 -15.0 -29.3 40.1 40 85 A M E - 0 0 17 5,-3.0 2,-0.3 -2,-0.5 -1,-0.2 0.837 58.1 -11.0 -79.9 -35.2 -16.3 -25.9 38.7 41 86 A D E >> S- D 0 45B 38 4,-0.8 3,-1.8 53,-0.1 4,-0.6 -0.983 75.1 -90.5-159.6 165.1 -14.3 -23.5 40.9 42 87 A Q T 34 S+ 0 0 143 -2,-0.3 50,-0.1 1,-0.3 51,-0.1 0.341 107.6 80.3 -65.7 8.5 -12.1 -23.3 44.1 43 88 A R T 34 S- 0 0 131 2,-0.1 -1,-0.3 45,-0.1 46,-0.1 0.522 115.6-102.7 -89.8 -6.7 -15.1 -22.7 46.3 44 89 A G T <4 + 0 0 0 -3,-1.8 43,-2.1 1,-0.3 2,-0.5 0.586 69.1 151.6 97.9 12.8 -15.8 -26.5 46.3 45 90 A Y E < -DE 41 86B 40 -4,-0.6 -5,-3.0 41,-0.2 -4,-0.8 -0.660 20.6-174.2 -83.2 125.5 -18.7 -26.5 43.8 46 91 A I E -DE 39 85B 0 39,-2.0 39,-2.7 -2,-0.5 2,-0.5 -0.894 16.9-146.2-120.6 147.4 -19.1 -29.6 41.7 47 92 A I E +DE 38 84B 1 -9,-1.4 -9,-1.9 -2,-0.3 37,-0.2 -0.953 33.0 151.6-113.4 128.2 -21.5 -30.5 38.9 48 93 A T E -DE 37 83B 0 35,-2.9 35,-1.8 -2,-0.5 2,-0.4 -0.632 47.8 -69.7-136.3-165.9 -22.7 -34.1 38.6 49 94 A N E > - E 0 82B 2 -13,-0.5 4,-1.0 107,-0.4 3,-0.3 -0.789 30.0-141.7 -96.9 138.5 -25.6 -36.1 37.4 50 95 A K T 4 S+ 0 0 45 31,-2.5 4,-0.2 -2,-0.4 3,-0.2 0.842 103.1 52.5 -66.5 -35.2 -28.9 -35.9 39.2 51 96 A H T 4 S+ 0 0 71 30,-0.4 3,-0.3 1,-0.2 -1,-0.2 0.748 104.5 58.9 -73.8 -20.3 -29.7 -39.6 38.8 52 97 A V T 4 S+ 0 0 0 -3,-0.3 -19,-0.3 1,-0.2 -1,-0.2 0.810 115.5 31.8 -76.2 -31.6 -26.2 -40.4 40.3 53 98 A I S >< S+ 0 0 3 -4,-1.0 3,-0.7 -3,-0.2 2,-0.3 0.163 87.9 128.0-112.0 17.0 -26.9 -38.6 43.6 54 99 A N T 3 S+ 0 0 67 -3,-0.3 -3,-0.0 1,-0.3 -5,-0.0 -0.602 80.4 3.0 -80.0 133.3 -30.7 -39.2 43.8 55 100 A D T 3 S+ 0 0 154 -2,-0.3 2,-0.5 1,-0.2 -1,-0.3 0.963 91.4 166.9 58.1 55.8 -31.8 -40.8 47.1 56 101 A A < - 0 0 33 -3,-0.7 -1,-0.2 1,-0.2 3,-0.2 -0.889 34.0-172.7-108.3 128.9 -28.4 -40.7 48.6 57 102 A D S S+ 0 0 114 -34,-1.2 2,-0.4 -2,-0.5 -33,-0.2 0.856 87.3 14.4 -80.2 -38.6 -27.7 -41.3 52.3 58 103 A Q E -C 23 0B 43 -35,-2.2 -35,-2.7 2,-0.0 2,-0.6 -0.998 67.8-156.6-140.6 132.0 -24.0 -40.4 51.8 59 104 A I E -C 22 0B 14 12,-0.5 12,-2.6 -2,-0.4 2,-0.5 -0.950 13.6-165.0-110.5 118.2 -22.4 -38.7 48.8 60 105 A I E -CF 21 70B 28 -39,-2.1 -39,-1.8 -2,-0.6 2,-0.5 -0.918 4.0-167.4-110.2 122.4 -18.7 -39.4 48.4 61 106 A V E -CF 20 69B 0 8,-2.7 8,-3.6 -2,-0.5 2,-0.5 -0.910 6.1-170.0-106.0 126.7 -16.5 -37.2 46.1 62 107 A A E -CF 19 68B 15 -43,-2.6 -43,-2.7 -2,-0.5 6,-0.2 -0.946 8.0-151.7-123.7 114.7 -13.1 -38.6 45.4 63 108 A L > - 0 0 8 4,-2.6 3,-0.9 -2,-0.5 -45,-0.1 -0.205 28.2-112.7 -74.3 171.6 -10.4 -36.4 43.6 64 109 A Q T 3 S+ 0 0 69 -49,-0.5 -1,-0.1 1,-0.2 -48,-0.1 0.779 111.7 66.0 -76.3 -25.7 -7.7 -38.0 41.5 65 110 A D T 3 S- 0 0 90 -50,-0.2 -1,-0.2 2,-0.1 3,-0.1 0.260 123.2 -96.8 -80.5 13.5 -5.0 -36.9 43.9 66 111 A G S < S+ 0 0 57 -3,-0.9 2,-0.1 1,-0.3 -2,-0.1 0.050 80.1 136.2 98.7 -27.7 -6.3 -39.2 46.6 67 112 A R - 0 0 72 -5,-0.1 -4,-2.6 1,-0.1 2,-0.5 -0.334 36.4-161.6 -60.5 128.8 -8.4 -36.7 48.5 68 113 A V E -F 62 0B 100 -6,-0.2 2,-0.3 -3,-0.1 -6,-0.2 -0.960 8.4-172.6-118.0 122.8 -11.8 -38.0 49.6 69 114 A F E -F 61 0B 32 -8,-3.6 -8,-2.7 -2,-0.5 2,-0.6 -0.808 25.7-136.6-115.7 155.0 -14.6 -35.7 50.5 70 115 A E E -F 60 0B 132 -2,-0.3 18,-0.4 -10,-0.2 -10,-0.2 -0.932 39.8-151.4-102.0 125.0 -18.1 -36.1 51.9 71 116 A A - 0 0 17 -12,-2.6 -12,-0.5 -2,-0.6 2,-0.4 -0.635 11.9-134.2-105.6 165.1 -20.2 -33.7 49.9 72 117 A L E -G 86 0B 105 14,-2.3 14,-1.3 -2,-0.2 2,-0.7 -0.941 21.5-126.5-115.3 134.0 -23.4 -31.7 50.4 73 118 A L E -G 85 0B 68 -2,-0.4 12,-0.2 12,-0.2 3,-0.1 -0.718 25.5-179.9 -81.5 114.3 -26.1 -31.7 47.8 74 119 A V E - 0 0 26 10,-2.5 2,-0.2 -2,-0.7 -1,-0.2 0.783 60.0 -59.5 -84.3 -28.4 -26.8 -28.0 47.1 75 120 A G E -G 84 0B 19 9,-1.2 9,-2.8 126,-0.1 -1,-0.3 -0.696 45.3-132.5 155.3 151.8 -29.6 -28.8 44.6 76 121 A S E -G 83 0B 39 7,-0.3 2,-0.4 -2,-0.2 7,-0.3 -0.819 12.7-133.3-124.7 165.7 -30.4 -30.5 41.3 77 122 A D E >> -G 82 0B 32 5,-4.5 4,-1.2 -2,-0.3 5,-1.1 -0.976 6.0-162.8-124.7 124.6 -32.2 -29.7 38.0 78 123 A S T 45S+ 0 0 93 -2,-0.4 -1,-0.1 3,-0.2 -28,-0.1 0.935 84.2 59.6 -69.7 -51.5 -34.8 -31.9 36.3 79 124 A L T 45S+ 0 0 170 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.864 125.5 21.2 -46.5 -43.0 -35.0 -30.5 32.8 80 125 A T T 45S- 0 0 16 2,-0.1 -1,-0.2 112,-0.1 -2,-0.2 0.553 101.8-125.7-104.3 -12.3 -31.3 -31.2 32.3 81 126 A D T <5 + 0 0 38 -4,-1.2 -31,-2.5 1,-0.2 -30,-0.4 0.823 59.4 144.7 70.2 31.8 -30.7 -33.8 34.9 82 127 A L E < -EG 49 77B 3 -5,-1.1 -5,-4.5 -33,-0.2 2,-0.3 -0.710 29.2-169.7-101.1 154.8 -27.9 -31.9 36.6 83 128 A A E -EG 48 76B 0 -35,-1.8 -35,-2.9 -7,-0.3 2,-0.5 -0.978 12.8-140.5-139.9 148.3 -27.1 -31.7 40.3 84 129 A V E -EG 47 75B 1 -9,-2.8 -10,-2.5 -2,-0.3 -9,-1.2 -0.962 16.4-168.3-120.0 125.8 -24.7 -29.5 42.1 85 130 A L E -EG 46 73B 0 -39,-2.7 -39,-2.0 -2,-0.5 2,-0.3 -0.538 7.3-150.6-102.6 170.8 -22.5 -30.6 45.0 86 131 A K E -EG 45 72B 47 -14,-1.3 -14,-2.3 -41,-0.2 2,-0.3 -0.981 11.3-175.8-146.2 126.8 -20.4 -28.7 47.5 87 132 A I - 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