==== 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 31-JUL-08 3E0R . COMPND 2 MOLECULE: C3-DEGRADING PROTEINASE (CPPA PROTEIN); . SOURCE 2 ORGANISM_SCIENTIFIC: STREPTOCOCCUS PNEUMONIAE; . AUTHOR B.NOCEK,R.MULLIGAN,J.ABDULLAH,Z.OTWINOWSKI,A.JOACHIMIAK,MIDW . 947 6 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 45997.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 625 66.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 100 10.6 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 213 22.5 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 . 12 1.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 7 0.7 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 . 99 10.5 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 73 7.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 96 10.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 12 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 4 0 0 3 5 2 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 4 0 0 8 4 4 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 6 1 10 9 0 8 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 4 4 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 3 A V 0 0 37 0, 0.0 200,-0.2 0, 0.0 494,-0.0 0.000 360.0 360.0 360.0 126.0 10.1 12.1 66.9 2 4 A N + 0 0 29 198,-2.5 2,-0.3 1,-0.2 199,-0.1 0.666 360.0 166.2 75.3 24.0 12.2 12.1 70.2 3 5 A Q - 0 0 130 197,-0.2 196,-2.0 1,-0.1 2,-0.4 -0.567 40.2-115.3 -71.3 131.1 10.9 15.6 71.4 4 6 A I E +A 198 0A 40 -2,-0.3 194,-0.3 194,-0.2 3,-0.1 -0.498 39.7 168.2 -80.5 118.8 11.7 16.1 75.1 5 7 A V E S- 0 0 80 192,-3.6 2,-0.3 -2,-0.4 193,-0.2 0.795 70.6 -5.3 -93.8 -42.1 8.7 16.4 77.4 6 8 A R E -A 197 0A 53 191,-1.4 191,-2.6 2,-0.0 2,-0.5 -0.985 55.7-144.1-155.5 145.1 10.6 16.1 80.7 7 9 A I E -A 196 0A 11 -2,-0.3 189,-0.2 141,-0.2 141,-0.2 -0.957 16.4-167.7-111.2 124.5 14.1 15.4 82.1 8 10 A I E -A 195 0A 2 187,-2.7 187,-2.8 -2,-0.5 42,-0.2 -0.955 8.0-152.1-115.7 112.7 14.4 13.4 85.3 9 11 A P E -A 194 0A 0 0, 0.0 42,-1.9 0, 0.0 2,-0.5 -0.506 3.0-149.4 -76.8 146.2 17.8 13.3 87.1 10 12 A T E -Ab 193 51A 6 183,-2.1 182,-2.4 40,-0.2 183,-1.3 -1.000 12.6-166.8-114.7 121.1 18.9 10.4 89.2 11 13 A L E -Ab 191 52A 1 40,-2.1 42,-2.8 -2,-0.5 2,-0.2 -0.914 22.9-121.5-103.9 133.7 21.2 11.2 92.1 12 14 A K E - b 0 53A 10 178,-2.3 2,-0.4 -2,-0.4 42,-0.2 -0.579 29.5-161.6 -74.0 136.9 23.0 8.5 94.0 13 15 A A E - b 0 54A 2 40,-2.7 42,-2.3 -2,-0.2 3,-0.2 -0.952 15.2-164.3-123.8 138.1 22.2 8.4 97.8 14 16 A N S S+ 0 0 57 -2,-0.4 2,-0.7 1,-0.3 -1,-0.2 0.926 82.8 30.4 -85.7 -73.5 24.1 6.7 100.5 15 17 A N S > S- 0 0 78 1,-0.2 4,-2.0 39,-0.1 -1,-0.3 -0.819 70.6-159.7 -90.5 118.4 21.8 6.6 103.5 16 18 A R H > S+ 0 0 47 -2,-0.7 4,-3.3 2,-0.2 5,-0.2 0.934 89.6 49.5 -59.1 -53.9 18.2 6.3 102.3 17 19 A K H > S+ 0 0 125 1,-0.2 4,-2.7 2,-0.2 -1,-0.2 0.914 111.1 52.2 -58.8 -41.5 16.5 7.5 105.5 18 20 A L H > S+ 0 0 98 2,-0.2 4,-1.2 1,-0.2 -1,-0.2 0.944 113.1 43.1 -53.9 -53.7 18.8 10.6 105.5 19 21 A N H X S+ 0 0 2 -4,-2.0 4,-2.7 1,-0.2 5,-0.3 0.889 113.7 52.2 -64.7 -39.9 18.0 11.5 102.0 20 22 A E H X>S+ 0 0 18 -4,-3.3 4,-2.3 1,-0.2 5,-1.1 0.927 106.9 52.9 -58.9 -47.7 14.3 10.8 102.5 21 23 A T H <>S+ 0 0 52 -4,-2.7 5,-1.8 -5,-0.2 -1,-0.2 0.822 114.1 44.6 -57.1 -32.7 14.3 13.1 105.5 22 24 A F H <>S+ 0 0 17 -4,-1.2 5,-2.9 3,-0.2 6,-0.2 0.960 119.8 34.5 -78.7 -54.6 15.8 15.8 103.4 23 25 A Y H <5S+ 0 0 0 -4,-2.7 6,-2.5 3,-0.2 -3,-0.2 0.872 132.1 27.6 -77.2 -34.0 13.8 15.7 100.2 24 26 A I T X5S+ 0 0 39 -4,-2.3 4,-1.2 -5,-0.3 -3,-0.2 0.948 131.3 30.2 -90.9 -61.3 10.5 14.8 101.7 25 27 A E T 4 - 0 0 0 4,-0.7 3,-1.1 -2,-0.2 101,-0.2 -0.390 58.4 -62.2-133.1-155.7 4.9 16.8 93.8 44 46 A Q T 3 S+ 0 0 99 100,-1.6 101,-0.1 99,-0.5 100,-0.1 0.540 120.6 74.6 -84.4 -4.8 1.1 16.8 94.0 45 47 A T T 3 S- 0 0 73 99,-0.4 -1,-0.3 2,-0.2 3,-0.1 0.736 104.2-130.1 -67.8 -23.7 0.8 16.4 90.2 46 48 A G < + 0 0 45 -3,-1.1 2,-0.4 1,-0.3 -2,-0.1 0.546 63.3 133.9 87.9 7.9 1.9 12.9 90.9 47 49 A L - 0 0 80 1,-0.0 -4,-0.7 2,-0.0 -1,-0.3 -0.762 61.2-114.5 -96.7 136.6 4.6 13.1 88.3 48 50 A E E + D 0 42A 41 -2,-0.4 -6,-0.3 -6,-0.2 3,-0.1 -0.523 43.4 158.0 -68.4 130.6 8.1 11.9 88.9 49 51 A K E + 0 0 10 -8,-3.0 2,-0.3 1,-0.4 -7,-0.2 0.543 64.4 24.6-126.7 -20.9 10.7 14.8 88.8 50 52 A L E - D 0 41A 0 -9,-2.2 -9,-3.2 -42,-0.2 2,-0.4 -0.988 60.5-160.1-148.3 142.9 13.7 13.4 90.7 51 53 A V E -bD 10 40A 8 -42,-1.9 -40,-2.1 -2,-0.3 2,-0.4 -1.000 5.2-156.4-128.3 127.4 14.9 9.9 91.5 52 54 A L E -bD 11 39A 6 -13,-2.4 -13,-1.8 -2,-0.4 2,-0.5 -0.914 11.0-161.0 -97.8 137.6 17.3 8.9 94.3 53 55 A E E -bD 12 38A 71 -42,-2.8 -40,-2.7 -2,-0.4 2,-0.2 -0.962 14.2-128.3-125.6 123.5 19.3 5.8 93.9 54 56 A E E +b 13 0A 84 -17,-1.9 -40,-0.2 -2,-0.5 -39,-0.1 -0.448 26.5 174.8 -75.9 129.4 20.9 3.9 96.7 55 57 A A - 0 0 2 -42,-2.3 2,-0.1 -2,-0.2 5,-0.1 -0.992 28.3-125.8-129.9 125.5 24.6 2.9 96.5 56 58 A P >> - 0 0 56 0, 0.0 3,-1.9 0, 0.0 4,-0.9 -0.390 16.8-123.4 -69.4 145.0 26.3 1.3 99.6 57 59 A S T 34 S+ 0 0 85 1,-0.3 3,-0.3 2,-0.2 5,-0.0 0.797 109.0 73.8 -56.4 -25.0 29.5 2.8 101.1 58 60 A X T 34 S+ 0 0 180 1,-0.2 -1,-0.3 3,-0.0 3,-0.0 0.840 114.5 19.6 -46.9 -41.4 31.0 -0.7 100.4 59 61 A R T <4 S+ 0 0 128 -3,-1.9 2,-0.3 2,-0.0 -1,-0.2 0.371 122.0 63.1-111.8 -7.0 31.1 0.1 96.6 60 62 A T < - 0 0 11 -4,-0.9 2,-0.3 -3,-0.3 128,-0.2 -0.870 51.9-169.9-137.6 151.2 30.9 3.8 96.6 61 63 A R B -h 188 0B 94 126,-1.4 128,-1.6 -2,-0.3 2,-0.2 -0.919 32.7 -88.6-140.5 171.4 32.7 7.0 97.7 62 64 A K - 0 0 84 -2,-0.3 128,-0.1 126,-0.2 2,-0.1 -0.493 47.3-106.0 -76.7 140.6 32.4 10.7 98.0 63 65 A V - 0 0 20 126,-0.4 2,-0.5 -2,-0.2 -1,-0.1 -0.388 25.7-144.4 -59.8 140.4 33.3 13.0 95.1 64 66 A E - 0 0 92 2,-0.2 116,-0.8 -2,-0.1 115,-0.2 -0.978 68.3 -10.7-106.2 122.1 36.6 14.9 95.4 65 67 A G S S+ 0 0 27 -2,-0.5 113,-0.1 113,-0.1 778,-0.1 -0.557 120.4 3.8 89.8-157.3 36.3 18.3 93.9 66 68 A R S S- 0 0 35 111,-0.5 114,-0.3 776,-0.4 2,-0.3 -0.299 71.6-134.0 -64.9 145.0 33.4 19.5 91.7 67 69 A K - 0 0 13 2,-0.3 86,-0.4 1,-0.1 114,-0.1 -0.665 21.3-116.1 -93.9 157.6 30.5 17.2 91.3 68 70 A K S S+ 0 0 3 -2,-0.3 85,-2.6 112,-0.2 2,-0.9 0.904 111.5 67.3 -56.6 -38.8 28.9 16.5 87.9 69 71 A L E +I 152 0C 4 83,-0.2 -2,-0.3 1,-0.2 44,-0.2 -0.763 63.6 176.9 -83.5 108.8 25.8 18.1 89.5 70 72 A A E - 0 0 14 81,-1.9 43,-0.4 -2,-0.9 2,-0.3 0.955 69.3 -17.7 -73.8 -57.9 26.8 21.7 90.0 71 73 A R E -I 151 0C 48 80,-1.5 80,-2.8 41,-0.1 2,-0.5 -0.987 54.5-138.1-148.7 141.4 23.4 22.6 91.4 72 74 A L E -Ij 150 114C 0 41,-2.3 43,-2.7 -2,-0.3 2,-0.5 -0.880 25.1-153.8 -91.1 131.5 19.8 21.2 91.4 73 75 A I E -Ij 149 115C 7 76,-2.6 76,-2.4 -2,-0.5 2,-0.6 -0.916 10.3-170.0-115.1 121.2 17.3 24.0 90.8 74 76 A V E -Ij 148 116C 0 41,-3.0 43,-2.4 -2,-0.5 2,-0.7 -0.952 6.4-162.1-115.4 105.0 13.7 23.6 92.1 75 77 A K E -Ij 147 117C 56 72,-2.7 72,-1.8 -2,-0.6 2,-0.3 -0.872 11.7-155.2 -92.1 111.6 11.4 26.2 90.8 76 78 A V E -I 146 0C 1 41,-3.5 70,-0.2 -2,-0.7 6,-0.0 -0.691 10.8-148.7 -90.4 136.7 8.4 26.3 93.0 77 79 A E S S+ 0 0 122 68,-2.5 -1,-0.1 -2,-0.3 69,-0.1 0.961 86.6 47.3 -65.5 -61.0 5.0 27.6 91.7 78 80 A N S >> S- 0 0 62 67,-0.3 3,-1.2 1,-0.1 4,-0.5 -0.800 70.8-158.2 -86.3 119.4 3.5 29.2 95.0 79 81 A P H >> S+ 0 0 35 0, 0.0 4,-1.2 0, 0.0 3,-1.2 0.852 88.5 66.7 -69.8 -29.0 6.1 31.3 96.7 80 82 A L H 3> S+ 0 0 100 1,-0.3 4,-1.1 2,-0.2 58,-0.2 0.670 90.7 66.0 -64.6 -13.1 4.4 31.1 100.1 81 83 A E H <> S+ 0 0 13 -3,-1.2 4,-1.9 2,-0.2 -1,-0.3 0.855 97.3 52.8 -75.1 -32.6 5.3 27.4 100.0 82 84 A I H X S+ 0 0 0 -4,-1.9 3,-1.5 1,-0.2 4,-1.0 0.927 112.0 48.8 -54.4 -49.7 9.5 25.3 104.3 86 88 A L H 3< S+ 0 0 7 -4,-2.2 3,-0.4 1,-0.3 -1,-0.2 0.867 101.3 63.8 -65.8 -33.8 11.7 28.0 106.0 87 89 A S T 3< S+ 0 0 32 -4,-1.8 -1,-0.3 1,-0.2 -2,-0.2 0.702 112.1 38.7 -58.0 -18.7 9.3 28.4 108.9 88 90 A K T <4 S+ 0 0 139 -3,-1.5 2,-0.4 -4,-0.5 -1,-0.2 0.627 102.9 74.5-110.3 -17.3 10.1 24.7 109.7 89 91 A T < - 0 0 20 -4,-1.0 3,-0.2 -3,-0.4 -1,-0.1 -0.848 44.2-172.7-109.8 136.1 13.9 24.3 109.0 90 92 A D S S+ 0 0 158 -2,-0.4 -1,-0.1 1,-0.1 -4,-0.0 0.702 75.9 65.9 -84.2 -17.9 16.8 25.5 111.1 91 93 A S + 0 0 90 15,-0.0 -1,-0.1 2,-0.0 -5,-0.0 -0.057 53.3 143.9-115.8 30.4 19.6 24.5 108.6 92 94 A I - 0 0 30 -3,-0.2 14,-0.3 1,-0.1 3,-0.1 -0.199 41.9-142.6 -65.1 155.8 19.6 26.4 105.2 93 95 A H S S- 0 0 49 12,-2.9 2,-0.3 1,-0.3 13,-0.2 0.832 77.6 -7.8 -85.3 -37.1 23.0 27.2 103.6 94 96 A R E -K 105 0C 20 11,-1.6 11,-2.7 2,-0.0 2,-0.4 -0.967 61.8-138.0-165.1 144.2 22.0 30.7 102.3 95 97 A L E +K 104 0C 8 33,-0.5 33,-1.3 -2,-0.3 2,-0.3 -0.864 22.7 172.8-114.6 138.5 19.0 32.9 101.9 96 98 A Y E -KL 103 127C 26 7,-3.0 7,-1.9 -2,-0.4 2,-0.3 -0.816 14.5-157.2-128.5 171.3 18.0 35.0 98.9 97 99 A K E +KL 102 126C 66 29,-1.5 29,-2.6 5,-0.3 5,-0.2 -0.937 17.6 164.6-149.8 139.5 15.1 37.1 97.8 98 100 A G - 0 0 12 3,-2.7 27,-0.1 -2,-0.3 24,-0.1 -0.475 55.4 -53.9-124.8-157.4 14.0 38.1 94.3 99 101 A Q S S+ 0 0 147 22,-0.2 3,-0.1 1,-0.2 20,-0.1 0.942 130.7 29.6 -43.3 -64.5 11.1 39.5 92.4 100 102 A N S S- 0 0 65 1,-0.1 2,-0.3 2,-0.0 -1,-0.2 0.784 123.4 -62.4 -83.5 -28.1 8.4 36.9 93.5 101 103 A G S S- 0 0 2 -22,-0.0 -3,-2.7 -19,-0.0 -1,-0.1 -0.977 71.1 -29.7 177.3-161.5 9.7 35.8 97.0 102 104 A Y E -K 97 0C 61 -2,-0.3 2,-0.3 -5,-0.2 -5,-0.3 -0.263 47.8-175.9 -73.5 162.7 12.3 34.3 99.1 103 105 A A E -K 96 0C 0 -7,-1.9 -7,-3.0 14,-0.1 2,-0.3 -0.962 2.8-168.3-150.3 160.1 14.7 31.6 97.9 104 106 A F E -KM 95 116C 0 12,-2.3 12,-2.7 -2,-0.3 2,-0.3 -0.992 18.3-136.3-151.2 162.8 17.4 29.5 99.5 105 107 A E E +KM 94 115C 5 -11,-2.7 -12,-2.9 -2,-0.3 -11,-1.6 -0.906 25.5 168.6-112.4 148.2 20.2 27.1 99.1 106 108 A I E - M 0 114C 7 8,-1.7 8,-2.5 -2,-0.3 2,-0.3 -0.967 30.0-121.8-152.6 145.4 20.8 24.0 101.2 107 109 A F E - M 0 113C 38 -2,-0.3 6,-0.2 6,-0.2 -2,-0.0 -0.747 23.8-136.8 -90.4 140.2 23.2 21.0 100.9 108 110 A S > - 0 0 5 4,-2.4 3,-2.8 -2,-0.3 -89,-0.1 -0.477 36.5 -92.5 -84.5 166.8 21.8 17.5 100.8 109 111 A P T 3 S+ 0 0 34 0, 0.0 -1,-0.1 0, 0.0 -90,-0.1 0.674 132.0 49.0 -51.8 -22.7 23.3 14.5 102.7 110 112 A E T 3 S- 0 0 5 2,-0.1 3,-0.1 -96,-0.0 -98,-0.1 0.214 123.8-107.6-103.8 11.7 25.5 13.7 99.6 111 113 A D < + 0 0 78 -3,-2.8 2,-0.4 1,-0.3 -4,-0.0 0.747 65.2 154.7 69.4 31.4 26.5 17.4 99.4 112 114 A D - 0 0 2 78,-0.0 -4,-2.4 -41,-0.0 2,-0.5 -0.748 43.0-129.9 -81.3 132.1 24.5 18.2 96.4 113 115 A L E - M 0 107C 16 -2,-0.4 -41,-2.3 -43,-0.4 2,-0.4 -0.792 25.8-166.4 -89.4 124.7 23.7 22.0 96.4 114 116 A I E -jM 72 106C 0 -8,-2.5 -8,-1.7 -2,-0.5 2,-0.5 -0.935 10.2-159.6-116.6 130.8 20.0 22.6 95.9 115 117 A L E -jM 73 105C 0 -43,-2.7 -41,-3.0 -2,-0.4 2,-0.5 -0.970 6.7-168.6-105.7 122.5 18.4 26.0 95.1 116 118 A I E +jM 74 104C 0 -12,-2.7 -12,-2.3 -2,-0.5 2,-0.3 -0.978 26.5 143.7-111.0 123.4 14.7 26.4 95.8 117 119 A H E -j 75 0C 6 -43,-2.4 -41,-3.5 -2,-0.5 -14,-0.1 -0.844 48.0-143.5-149.6 177.8 13.2 29.5 94.4 118 120 A A + 0 0 3 -2,-0.3 2,-0.2 -43,-0.2 -43,-0.1 0.084 56.4 125.2-137.8 23.8 10.1 30.8 92.7 119 121 A E - 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