==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=8-JAN-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 11-JUL-11 3STI . COMPND 2 MOLECULE: PROTEASE DEGQ; . SOURCE 2 ORGANISM_SCIENTIFIC: ESCHERICHIA COLI; . AUTHOR J.SAWA,H.MALET,T.KROJER,F.CANELLAS,M.EHRMANN,T.CLAUSEN . 551 13 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 23599.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 358 65.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 189 34.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 7 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 6 1.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 1 0.2 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 . 34 6.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 7.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 68 12.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 7 1.3 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 3 0 0 0 0 0 1 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 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 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 4 2 16 8 4 5 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 0 0 0 0 3 3 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 11 A P 0 0 182 0, 0.0 0, 0.0 0, 0.0 0, 0.0 0.000 360.0 360.0 360.0 123.7 -9.0 35.7 -40.4 2 12 A L - 0 0 73 1,-0.0 2,-0.1 284,-0.0 336,-0.0 -0.807 360.0-113.6 -99.7 141.9 -10.9 32.3 -40.3 3 13 A P + 0 0 89 0, 0.0 283,-0.5 0, 0.0 2,-0.3 -0.411 46.6 166.6 -70.1 147.4 -12.1 30.4 -37.1 4 14 A S B -A 285 0A 25 281,-0.1 281,-0.2 -2,-0.1 4,-0.2 -0.969 49.5-132.6-155.0 163.0 -10.3 27.2 -36.5 5 15 A L S >> S+ 0 0 14 279,-2.0 4,-1.7 -2,-0.3 3,-0.5 0.469 92.1 88.7 -96.7 -6.3 -9.6 24.4 -33.9 6 16 A A H 3> S+ 0 0 2 1,-0.2 4,-1.4 2,-0.2 -1,-0.1 0.855 76.8 60.6 -61.7 -40.7 -5.9 24.7 -34.7 7 17 A P H 3> S+ 0 0 78 0, 0.0 4,-0.6 0, 0.0 -1,-0.2 0.848 112.7 37.4 -60.2 -33.7 -5.2 27.5 -32.0 8 18 A M H <> S+ 0 0 19 -3,-0.5 4,-1.0 1,-0.2 3,-0.3 0.829 112.6 58.9 -84.1 -31.2 -6.3 25.3 -29.1 9 19 A L H X S+ 0 0 0 -4,-1.7 4,-0.9 1,-0.2 -1,-0.2 0.693 99.8 58.4 -66.2 -25.6 -4.8 22.1 -30.7 10 20 A E H < S+ 0 0 105 -4,-1.4 -1,-0.2 2,-0.2 -2,-0.2 0.868 104.0 49.1 -76.0 -36.9 -1.3 23.6 -30.7 11 21 A K H < S+ 0 0 139 -4,-0.6 -2,-0.2 -3,-0.3 -1,-0.2 0.775 114.9 45.9 -70.7 -27.0 -1.2 24.3 -26.9 12 22 A V H >X S+ 0 0 9 -4,-1.0 3,-1.3 1,-0.2 4,-0.5 0.671 87.8 93.9 -88.3 -23.5 -2.3 20.7 -26.2 13 23 A L G >< S+ 0 0 49 -4,-0.9 3,-1.2 1,-0.2 -1,-0.2 0.800 81.6 49.8 -41.8 -52.8 0.2 19.1 -28.7 14 24 A P G 34 S+ 0 0 30 0, 0.0 65,-0.3 0, 0.0 -1,-0.2 0.779 104.2 60.0 -67.5 -22.9 3.1 18.3 -26.2 15 25 A A G <4 S+ 0 0 3 -3,-1.3 11,-3.2 -4,-0.2 2,-0.5 0.595 93.1 76.6 -76.2 -14.6 0.8 16.5 -23.7 16 26 A V E << S-B 25 0B 1 -3,-1.2 2,-0.3 -4,-0.5 33,-0.2 -0.878 70.5-170.7-104.0 126.8 -0.3 13.9 -26.3 17 27 A V E -B 24 0B 0 7,-2.6 7,-1.3 -2,-0.5 83,-0.3 -0.782 28.2-114.2-121.3 161.7 2.3 11.2 -26.9 18 28 A S E BC 23 47B 6 29,-2.9 29,-1.9 -2,-0.3 5,-0.2 -0.690 360.0 360.0 -86.7 139.2 3.1 8.2 -29.2 19 29 A V 0 0 24 3,-2.6 3,-1.0 -2,-0.3 27,-0.3 -0.937 360.0 360.0-119.0 360.0 3.0 4.9 -27.3 20 ! 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 21 64 A L 0 0 141 0, 0.0 2,-0.3 0, 0.0 20,-0.0 0.000 360.0 360.0 360.0 132.3 0.8 1.2 -31.7 22 65 A G - 0 0 1 -3,-1.0 -3,-2.6 78,-0.1 80,-0.3 -0.926 360.0 -87.2-169.4-169.1 -1.3 3.9 -30.1 23 66 A S E -B 18 0B 0 118,-1.9 14,-0.5 -2,-0.3 2,-0.3 -0.577 29.5-174.7-115.4 171.1 -1.6 7.3 -28.3 24 67 A G E -B 17 0B 0 -7,-1.3 -7,-2.6 -2,-0.2 2,-0.4 -0.970 17.5-127.5-163.3 165.2 -1.3 8.4 -24.6 25 68 A V E -BD 16 35B 0 10,-2.5 10,-2.8 -2,-0.3 2,-0.6 -0.992 17.1-127.9-131.5 132.8 -1.8 11.5 -22.5 26 69 A I E + D 0 34B 1 -11,-3.2 55,-2.5 -2,-0.4 8,-0.2 -0.693 32.3 167.7 -80.3 116.1 0.6 13.1 -20.0 27 70 A I E S+ 0 0 26 6,-2.6 2,-0.5 -2,-0.6 -1,-0.2 0.838 72.8 28.5 -96.1 -44.9 -1.5 13.5 -16.8 28 71 A N E >> - D 0 33B 54 5,-1.2 4,-1.6 1,-0.1 5,-1.4 -0.951 62.3-171.5-124.0 109.7 1.5 14.3 -14.3 29 72 A A T 45S+ 0 0 22 -2,-0.5 49,-0.2 3,-0.2 -1,-0.1 0.861 86.5 50.3 -62.5 -44.0 4.6 16.1 -15.9 30 73 A S T 45S+ 0 0 102 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.913 121.9 31.4 -64.3 -47.7 6.8 15.8 -12.7 31 74 A K T 45S- 0 0 112 2,-0.1 -2,-0.2 43,-0.1 -1,-0.2 0.631 105.0-127.9 -87.2 -16.4 6.1 12.0 -12.1 32 75 A G T <5 + 0 0 0 -4,-1.6 40,-2.1 1,-0.2 2,-0.4 0.770 42.1 172.7 74.9 30.8 5.8 11.3 -15.9 33 76 A Y E < -DE 28 71B 36 -5,-1.4 -6,-2.6 38,-0.2 -5,-1.2 -0.597 9.5-170.3 -77.4 123.7 2.4 9.5 -15.5 34 77 A V E -DE 26 70B 0 36,-3.1 36,-2.6 -2,-0.4 2,-0.4 -0.974 12.3-148.2-122.1 125.9 0.9 8.7 -18.9 35 78 A L E +DE 25 69B 0 -10,-2.8 -10,-2.5 -2,-0.4 2,-0.2 -0.775 33.2 146.4 -93.1 131.8 -2.7 7.4 -19.5 36 79 A T E - E 0 68B 0 32,-2.3 32,-2.0 -2,-0.4 2,-0.4 -0.770 50.6 -69.1-146.9-174.6 -3.3 5.1 -22.5 37 80 A N >> - 0 0 0 -14,-0.5 3,-0.7 30,-0.2 4,-0.7 -0.788 28.6-141.4 -91.0 134.5 -5.4 2.1 -23.6 38 81 A N G >4 S+ 0 0 33 -2,-0.4 3,-1.1 24,-0.2 -1,-0.1 0.868 102.2 59.3 -59.1 -38.6 -4.8 -1.3 -22.0 39 82 A H G 34 S+ 0 0 76 1,-0.2 -1,-0.2 27,-0.1 28,-0.0 0.798 100.3 54.8 -65.1 -27.9 -5.4 -3.0 -25.4 40 83 A V G <4 0 0 34 -3,-0.7 -1,-0.2 -17,-0.1 -2,-0.2 0.703 360.0 360.0 -77.7 -17.9 -2.4 -1.1 -27.0 41 84 A I << 0 0 68 -3,-1.1 3,-0.1 -4,-0.7 -1,-0.1 -0.763 360.0 360.0 -88.8 360.0 -0.1 -2.4 -24.2 42 ! 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 43 89 A K 0 0 201 0, 0.0 2,-0.4 0, 0.0 14,-0.1 0.000 360.0 360.0 360.0 127.2 8.9 -3.4 -23.3 44 90 A I E - F 0 56B 32 12,-0.8 12,-2.1 -3,-0.1 2,-0.3 -0.969 360.0-170.5-122.3 132.0 7.1 -0.0 -23.9 45 91 A S E - F 0 55B 36 -2,-0.4 2,-0.4 10,-0.2 10,-0.2 -0.947 7.3-154.4-123.5 141.6 8.5 3.2 -25.4 46 92 A I E - F 0 54B 0 8,-2.7 8,-2.5 -2,-0.3 2,-0.5 -0.936 4.3-156.9-115.9 142.6 6.9 6.6 -25.6 47 93 A Q E -CF 18 53B 36 -29,-1.9 -29,-2.9 -2,-0.4 6,-0.2 -0.982 8.8-146.1-124.6 124.5 7.7 9.3 -28.2 48 94 A L > - 0 0 5 4,-3.0 3,-1.3 -2,-0.5 -31,-0.1 -0.302 30.1-106.6 -79.5 167.4 7.1 13.0 -27.6 49 95 A N T 3 S+ 0 0 51 1,-0.2 -1,-0.1 -35,-0.2 -32,-0.0 0.910 120.4 58.8 -58.7 -42.9 6.0 15.6 -30.3 50 96 A D T 3 S- 0 0 88 1,-0.1 -1,-0.2 -36,-0.1 -2,-0.0 0.382 124.0-103.8 -71.2 2.5 9.6 17.1 -30.3 51 97 A G S < S+ 0 0 47 -3,-1.3 -2,-0.1 1,-0.3 -1,-0.1 0.183 73.2 144.5 95.4 -15.1 11.0 13.6 -31.3 52 98 A R - 0 0 76 -5,-0.1 -4,-3.0 1,-0.0 2,-0.4 -0.314 35.2-154.0 -59.8 131.6 12.3 12.7 -27.8 53 99 A E E -F 47 0B 118 -6,-0.2 2,-0.3 -2,-0.0 -6,-0.2 -0.965 14.4-178.9-116.9 131.7 12.0 9.0 -27.0 54 100 A F E -F 46 0B 33 -8,-2.5 -8,-2.7 -2,-0.4 2,-0.2 -0.875 28.5-113.9-126.3 154.2 11.7 7.6 -23.4 55 101 A D E -F 45 0B 93 18,-0.4 18,-2.7 -2,-0.3 2,-0.4 -0.557 34.0-161.4 -81.6 151.3 11.4 4.2 -21.8 56 102 A A E -FG 44 72B 9 -12,-2.1 -12,-0.8 16,-0.2 2,-0.4 -0.999 8.1-150.1-142.3 137.1 8.1 3.5 -19.9 57 103 A K E - G 0 71B 131 14,-2.3 14,-2.3 -2,-0.4 2,-0.6 -0.861 24.4-117.3-108.1 141.2 7.1 1.0 -17.3 58 104 A L E + G 0 70B 78 -2,-0.4 12,-0.2 12,-0.2 3,-0.1 -0.675 28.6 179.6 -76.7 115.9 3.6 -0.5 -16.8 59 105 A I E - 0 0 56 10,-2.2 2,-0.3 -2,-0.6 -1,-0.2 0.894 62.0 -50.1 -78.7 -50.0 2.3 0.6 -13.4 60 106 A G E - G 0 69B 15 9,-1.2 9,-2.4 123,-0.0 -1,-0.3 -0.946 49.8-140.5 179.9 163.4 -1.1 -1.2 -13.8 61 107 A S E - G 0 68B 39 -2,-0.3 2,-0.4 7,-0.2 7,-0.2 -0.926 7.9-145.3-138.6 162.2 -4.1 -1.7 -16.0 62 108 A D E >> - G 0 67B 37 5,-2.9 5,-1.7 -2,-0.3 4,-1.0 -0.949 6.5-167.7-131.5 104.1 -7.9 -2.1 -15.8 63 109 A D T 45S+ 0 0 126 -2,-0.4 3,-0.2 1,-0.2 -1,-0.1 0.867 87.7 56.4 -58.3 -40.5 -9.4 -4.5 -18.5 64 110 A Q T 45S+ 0 0 165 1,-0.2 -1,-0.2 2,-0.1 -2,-0.0 0.807 118.1 31.3 -64.1 -38.9 -13.0 -3.3 -17.8 65 111 A S T 45S- 0 0 3 -3,-0.3 -1,-0.2 2,-0.2 -2,-0.2 0.490 102.5-128.1 -98.9 -1.5 -12.2 0.4 -18.5 66 112 A D T <5 + 0 0 7 -4,-1.0 2,-0.4 -3,-0.2 -28,-0.2 0.901 62.2 142.8 53.6 42.7 -9.5 -0.3 -21.1 67 113 A I E < - G 0 62B 0 -5,-1.7 -5,-2.9 -30,-0.3 2,-0.4 -0.940 28.7-179.8-116.6 137.8 -7.2 2.0 -19.1 68 114 A A E -EG 36 61B 0 -32,-2.0 -32,-2.3 -2,-0.4 2,-0.5 -0.996 14.4-150.5-138.0 131.9 -3.4 1.6 -18.5 69 115 A L E -EG 35 60B 0 -9,-2.4 -10,-2.2 -2,-0.4 -9,-1.2 -0.934 16.0-172.2-108.1 127.2 -1.1 3.9 -16.5 70 116 A L E -EG 34 58B 0 -36,-2.6 -36,-3.1 -2,-0.5 2,-0.5 -0.901 15.6-142.9-117.7 147.0 2.5 4.2 -17.5 71 117 A Q E -EG 33 57B 59 -14,-2.3 -14,-2.3 -2,-0.3 2,-0.3 -0.960 21.2-127.5-114.2 124.1 5.4 5.9 -15.8 72 118 A I E - G 0 56B 1 -40,-2.1 2,-0.3 -2,-0.5 -16,-0.2 -0.559 25.6-123.9 -69.5 123.4 8.1 7.6 -18.0 73 119 A Q S S- 0 0 66 -18,-2.7 -18,-0.4 -2,-0.3 -1,-0.1 -0.606 88.2 -6.4 -71.7 124.3 11.6 6.4 -17.0 74 120 A N S S- 0 0 145 -2,-0.3 -1,-0.2 1,-0.1 2,-0.1 0.962 90.0-156.2 51.6 72.2 13.8 9.5 -16.1 75 121 A P + 0 0 49 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 -0.443 20.1 166.5 -78.8 156.6 11.3 12.3 -17.1 76 122 A S + 0 0 67 -2,-0.1 -46,-0.0 -44,-0.0 0, 0.0 -0.932 57.2 4.5-165.9 143.2 12.3 15.9 -18.1 77 123 A K S S+ 0 0 182 -2,-0.3 2,-0.3 1,-0.2 -47,-0.1 0.871 80.6 164.3 46.6 50.0 10.7 19.0 -19.7 78 124 A L - 0 0 23 -49,-0.2 2,-0.5 -30,-0.0 -1,-0.2 -0.780 32.3-146.2 -98.7 142.9 7.2 17.4 -19.9 79 125 A T - 0 0 69 -2,-0.3 2,-0.2 -65,-0.3 -53,-0.2 -0.924 17.5-155.7-106.2 125.1 4.0 19.3 -20.6 80 126 A Q - 0 0 100 -2,-0.5 2,-0.2 -53,-0.1 -53,-0.2 -0.686 17.2-111.0 -99.5 158.3 0.9 17.8 -18.8 81 127 A I - 0 0 8 -55,-2.5 2,-0.3 -2,-0.2 70,-0.1 -0.590 23.7-118.4 -89.2 149.2 -2.7 18.2 -19.9 82 128 A A - 0 0 57 68,-0.4 70,-2.9 -2,-0.2 2,-0.4 -0.643 32.6-142.4 -79.0 139.7 -5.4 20.3 -18.0 83 129 A I B -h 152 0C 44 -2,-0.3 2,-0.3 68,-0.3 70,-0.1 -0.928 10.3-153.3-113.9 137.2 -8.2 18.0 -16.8 84 130 A A - 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