==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=22-JUL-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 18-APR-12 4AQL . COMPND 2 MOLECULE: GUANINE DEAMINASE; . SOURCE 2 ORGANISM_SCIENTIFIC: HOMO SAPIENS; . AUTHOR M.WELIN,L.EGEBLAD,C.H.ARROWSMITH,H.BERGLUND,C.BOUNTRA,R.COLL . 443 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 18134.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 317 71.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 44 9.9 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 35 7.9 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 . 1 0.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.5 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 . 25 5.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 43 9.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 134 30.2 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 15 3.4 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 1 0 5 2 1 1 2 0 0 1 1 0 0 2 1 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 3 2 1 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 PARALLEL BRIDGES PER LADDER . 1 0 1 2 1 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 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 1 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 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 9 A L 0 0 73 0, 0.0 28,-0.3 0, 0.0 3,-0.1 0.000 360.0 360.0 360.0 134.1 -28.7 -41.2 32.4 2 10 A A + 0 0 44 26,-2.2 2,-0.3 1,-0.3 27,-0.2 0.816 360.0 5.0 -82.9 -35.0 -28.9 -40.2 28.7 3 11 A H E -A 28 0A 51 25,-1.5 25,-2.6 2,-0.0 2,-0.4 -0.998 49.2-168.3-149.2 148.1 -28.0 -43.6 27.3 4 12 A I E -A 27 0A 7 52,-0.4 54,-3.0 -2,-0.3 2,-0.4 -0.983 19.7-168.7-132.9 128.2 -27.2 -47.1 28.3 5 13 A F E -Ab 26 58A 2 21,-2.5 21,-2.5 -2,-0.4 2,-0.4 -0.932 9.8-161.9-117.7 140.9 -25.7 -49.3 25.7 6 14 A R E +Ab 25 59A 55 52,-3.0 54,-2.8 -2,-0.4 2,-0.3 -0.982 49.9 54.2-118.5 125.4 -25.1 -53.0 25.7 7 15 A G E S-A 24 0A 10 17,-2.2 17,-2.9 -2,-0.4 2,-0.4 -0.987 84.9 -16.5 161.9-147.1 -22.7 -54.7 23.3 8 16 A T E - c 0 65A 33 56,-0.5 58,-2.6 -2,-0.3 2,-0.4 -0.758 45.6-171.4 -97.3 132.8 -19.1 -54.7 22.0 9 17 A F E -Ac 21 66A 0 12,-2.2 12,-3.7 -2,-0.4 2,-0.5 -0.980 2.3-167.2-122.8 134.4 -16.7 -51.8 22.6 10 18 A V E +A 20 0A 1 56,-2.5 2,-0.3 -2,-0.4 10,-0.2 -0.993 25.6 138.0-125.7 123.8 -13.2 -51.6 20.9 11 19 A H E -A 19 0A 4 8,-2.1 8,-3.4 -2,-0.5 2,-0.3 -0.901 42.8-108.0-153.2 177.3 -10.7 -49.0 22.1 12 20 A S - 0 0 0 367,-0.4 2,-0.3 -2,-0.3 369,-0.2 -0.773 21.8-170.8-108.5 157.1 -7.0 -48.6 22.9 13 21 A T - 0 0 20 3,-2.7 353,-0.0 -2,-0.3 349,-0.0 -0.882 40.6-104.4-131.9 172.4 -5.2 -48.2 26.2 14 22 A W S S+ 0 0 124 -2,-0.3 348,-0.0 1,-0.2 -1,-0.0 0.748 124.2 38.5 -69.0 -18.9 -1.5 -47.3 26.9 15 23 A T S S+ 0 0 136 1,-0.2 -1,-0.2 2,-0.0 -3,-0.0 0.596 122.2 42.6-105.9 -11.3 -0.8 -50.8 27.7 16 24 A C - 0 0 41 1,-0.1 -3,-2.7 3,-0.0 3,-0.3 -0.918 63.4-156.5-138.0 113.1 -3.0 -52.4 25.0 17 25 A P S S+ 0 0 36 0, 0.0 2,-0.3 0, 0.0 -1,-0.1 0.852 89.5 13.7 -58.7 -36.0 -3.2 -51.1 21.4 18 26 A M - 0 0 13 -6,-0.1 2,-0.5 343,-0.1 -6,-0.2 -0.883 68.5-177.9-144.6 112.8 -6.6 -52.7 20.8 19 27 A E E -A 11 0A 70 -8,-3.4 -8,-2.1 -2,-0.3 2,-0.6 -0.927 12.8-155.3-110.1 123.8 -8.8 -54.0 23.7 20 28 A V E -A 10 0A 29 -2,-0.5 2,-0.7 -10,-0.2 -10,-0.2 -0.917 4.0-163.7-103.4 118.4 -12.1 -55.6 22.7 21 29 A L E -A 9 0A 29 -12,-3.7 -12,-2.2 -2,-0.6 3,-0.5 -0.883 13.2-158.9-104.0 104.0 -14.8 -55.5 25.4 22 30 A R E - 0 0 154 -2,-0.7 18,-0.2 1,-0.2 -14,-0.2 -0.563 64.4 -1.2 -91.3 151.2 -17.5 -58.0 24.5 23 31 A D E S+ 0 0 73 -2,-0.2 17,-2.2 1,-0.1 2,-0.3 0.875 91.2 155.3 34.5 62.0 -21.1 -57.9 25.9 24 32 A H E -AD 7 39A 20 -17,-2.9 -17,-2.2 -3,-0.5 2,-0.4 -0.736 40.6-131.9-109.3 161.0 -20.4 -54.9 28.1 25 33 A L E -AD 6 38A 0 13,-3.4 13,-2.2 -2,-0.3 2,-0.4 -0.960 22.2-173.6-113.3 129.5 -22.7 -52.3 29.5 26 34 A L E -AD 5 37A 0 -21,-2.5 -21,-2.5 -2,-0.4 2,-0.4 -0.985 5.9-159.9-126.9 131.9 -21.9 -48.6 29.2 27 35 A G E -AD 4 36A 0 9,-2.0 8,-2.6 -2,-0.4 9,-1.1 -0.884 1.4-163.9-114.1 139.4 -23.7 -45.7 30.8 28 36 A V E -AD 3 34A 0 -25,-2.6 -26,-2.2 -2,-0.4 -25,-1.5 -0.972 15.4-137.1-122.2 129.8 -23.6 -42.1 29.7 29 37 A S > - 0 0 22 4,-3.2 3,-1.2 -2,-0.4 -25,-0.0 -0.178 28.9-102.4 -79.5 172.5 -24.8 -39.2 31.9 30 38 A D T 3 S+ 0 0 147 1,-0.2 -1,-0.1 2,-0.1 -2,-0.0 0.834 123.7 56.8 -56.6 -39.1 -26.8 -36.1 31.0 31 39 A S T 3 S- 0 0 81 2,-0.1 -1,-0.2 1,-0.1 -2,-0.0 0.498 124.1-105.8 -75.1 -5.6 -23.6 -34.1 31.1 32 40 A G S < S+ 0 0 1 -3,-1.2 355,-2.3 1,-0.3 2,-0.2 0.487 74.5 137.0 96.3 6.8 -22.1 -36.5 28.4 33 41 A K B -H 386 0B 55 353,-0.2 -4,-3.2 402,-0.1 2,-0.6 -0.530 61.5-114.6 -87.8 149.4 -19.7 -38.4 30.7 34 42 A I E +D 28 0A 2 351,-3.0 350,-2.5 348,-0.3 -6,-0.2 -0.741 36.1 176.8 -78.5 118.4 -19.1 -42.2 30.8 35 43 A V E + 0 0 26 -8,-2.6 2,-0.3 -2,-0.6 -7,-0.2 0.658 61.3 7.8-104.1 -23.6 -20.5 -43.1 34.3 36 44 A F E -D 27 0A 5 -9,-1.1 -9,-2.0 346,-0.1 -1,-0.3 -0.981 47.8-178.9-154.5 157.2 -20.0 -46.9 34.1 37 45 A L E +D 26 0A 34 -2,-0.3 2,-0.3 -11,-0.2 -11,-0.2 -0.773 32.7 136.3-152.9 103.5 -18.4 -49.6 31.9 38 46 A E E -D 25 0A 67 -13,-2.2 -13,-3.4 -2,-0.2 -2,-0.0 -0.960 56.7 -75.8-147.9 162.0 -18.8 -53.2 33.1 39 47 A E E > -D 24 0A 120 -2,-0.3 3,-2.0 -15,-0.2 -15,-0.2 -0.201 46.7-115.7 -55.1 147.7 -19.6 -56.7 32.0 40 48 A A G > S+ 0 0 7 -17,-2.2 3,-2.3 1,-0.3 4,-0.2 0.739 109.2 80.0 -65.8 -20.9 -23.3 -57.3 31.4 41 49 A S G 3 S+ 0 0 90 1,-0.3 3,-0.3 -18,-0.2 -1,-0.3 0.720 88.4 60.5 -52.3 -20.6 -23.3 -59.8 34.3 42 50 A Q G <> + 0 0 67 -3,-2.0 4,-2.7 1,-0.2 5,-0.3 0.257 69.9 111.1 -93.4 12.3 -23.5 -56.6 36.4 43 51 A Q H <> S+ 0 0 47 -3,-2.3 4,-3.1 1,-0.2 5,-0.2 0.924 76.5 48.4 -51.4 -50.7 -26.8 -55.5 34.9 44 52 A E H > S+ 0 0 131 -3,-0.3 4,-1.4 1,-0.2 -1,-0.2 0.941 114.1 46.2 -59.8 -49.6 -28.9 -56.0 38.0 45 53 A K H > S+ 0 0 99 -4,-0.2 4,-2.6 1,-0.2 3,-0.3 0.911 115.5 45.2 -58.3 -47.6 -26.4 -54.2 40.2 46 54 A L H X S+ 0 0 0 -4,-2.7 4,-2.9 1,-0.2 5,-0.2 0.909 106.4 59.9 -66.3 -41.0 -26.0 -51.2 37.9 47 55 A A H <>S+ 0 0 7 -4,-3.1 5,-1.7 -5,-0.3 4,-0.3 0.843 112.4 40.6 -56.2 -33.3 -29.8 -51.0 37.3 48 56 A K H ><5S+ 0 0 143 -4,-1.4 3,-0.9 -3,-0.3 -2,-0.2 0.962 115.9 47.1 -79.7 -54.9 -30.1 -50.4 41.1 49 57 A E H 3<5S+ 0 0 113 -4,-2.6 -2,-0.2 1,-0.2 -3,-0.2 0.885 124.5 32.5 -49.5 -47.4 -27.1 -48.1 41.6 50 58 A W T 3<5S- 0 0 100 -4,-2.9 -1,-0.2 -5,-0.2 -2,-0.2 0.279 105.5-123.2-103.3 6.0 -28.0 -45.9 38.6 51 59 A C T < 5 + 0 0 112 -3,-0.9 2,-0.3 -4,-0.3 -3,-0.2 0.945 60.2 130.6 55.5 64.2 -31.7 -46.1 38.7 52 60 A F < - 0 0 11 -5,-1.7 -1,-0.2 -6,-0.1 -2,-0.1 -0.978 49.7-123.2-141.9 157.5 -32.7 -47.4 35.2 53 61 A K > - 0 0 139 -2,-0.3 3,-1.8 1,-0.1 4,-0.3 -0.718 25.6-116.6 -97.5 151.0 -34.8 -50.2 33.8 54 62 A P G > S+ 0 0 83 0, 0.0 3,-1.2 0, 0.0 -1,-0.1 0.773 115.2 61.9 -50.0 -33.1 -33.7 -53.1 31.6 55 63 A C G 3 S+ 0 0 113 1,-0.2 -3,-0.0 3,-0.0 0, 0.0 0.688 95.0 62.4 -69.8 -18.8 -36.1 -51.7 28.8 56 64 A E G < S+ 0 0 97 -3,-1.8 -52,-0.4 2,-0.1 2,-0.4 0.581 82.3 101.7 -79.5 -10.6 -34.1 -48.5 28.8 57 65 A I < - 0 0 24 -3,-1.2 2,-0.7 -4,-0.3 -52,-0.2 -0.607 67.7-141.3 -81.8 126.7 -30.9 -50.3 27.6 58 66 A R E -b 5 0A 87 -54,-3.0 -52,-3.0 -2,-0.4 2,-0.6 -0.829 15.6-152.9 -88.5 116.8 -30.1 -50.1 23.9 59 67 A E E -b 6 0A 134 -2,-0.7 -52,-0.2 -54,-0.2 2,-0.1 -0.797 9.5-137.7 -89.8 121.5 -28.8 -53.5 22.7 60 68 A L - 0 0 12 -54,-2.8 6,-0.0 -2,-0.6 -55,-0.0 -0.472 32.8 -94.1 -71.2 146.5 -26.4 -53.3 19.7 61 69 A S > - 0 0 46 -2,-0.1 3,-1.7 1,-0.1 -1,-0.1 -0.135 40.3-104.2 -51.1 158.9 -26.8 -55.8 17.0 62 70 A H T 3 S+ 0 0 189 1,-0.3 -1,-0.1 -3,-0.1 -2,-0.1 0.730 120.9 42.0 -65.6 -23.1 -24.7 -58.9 17.3 63 71 A H T 3 S+ 0 0 55 2,-0.0 -1,-0.3 353,-0.0 2,-0.2 0.210 97.8 95.2-110.4 12.9 -22.3 -57.7 14.6 64 72 A E < - 0 0 20 -3,-1.7 -56,-0.5 329,-0.2 2,-0.3 -0.670 48.2-176.8-100.0 159.8 -22.1 -54.0 15.6 65 73 A F E -cE 8 392A 11 327,-1.9 327,-3.2 -2,-0.2 2,-0.4 -0.990 21.4-129.8-151.2 151.8 -19.5 -52.4 17.8 66 74 A F E +cE 9 391A 0 -58,-2.6 -56,-2.5 -2,-0.3 325,-0.2 -0.791 26.7 176.4 -93.1 145.1 -18.7 -49.0 19.3 67 75 A M E - E 0 390A 2 323,-2.1 323,-2.5 -2,-0.4 -56,-0.2 -0.953 37.6 -88.2-137.5 165.1 -15.2 -47.4 19.0 68 76 A P E - E 0 389A 1 0, 0.0 321,-0.3 0, 0.0 319,-0.1 -0.304 53.3 -91.3 -69.1 156.7 -13.9 -44.1 20.1 69 77 A G - 0 0 3 319,-1.5 2,-0.2 364,-0.1 59,-0.2 -0.344 44.7-107.4 -61.6 148.0 -14.3 -41.1 17.8 70 78 A L E -i 128 0C 0 57,-2.3 60,-1.6 -3,-0.1 59,-1.5 -0.557 26.5-142.8 -80.8 142.1 -11.4 -40.5 15.4 71 79 A V E -i 130 0C 1 293,-2.6 2,-0.8 -2,-0.2 248,-0.5 -0.948 7.0-161.3-114.0 111.3 -9.1 -37.5 16.2 72 80 A D E -i 131 0C 0 58,-2.8 60,-2.2 -2,-0.6 248,-0.2 -0.837 5.6-173.1 -95.4 102.8 -7.8 -35.5 13.2 73 81 A T E S+ 0 0 1 246,-2.9 2,-0.2 -2,-0.8 247,-0.2 0.512 70.1 25.6 -77.0 -6.5 -4.8 -33.5 14.6 74 82 A H E + 0 0 3 245,-0.2 248,-2.7 218,-0.1 247,-0.7 -0.749 65.1 142.7-163.7 114.1 -4.3 -31.4 11.4 75 83 A I E -i 133 0C 0 57,-1.7 59,-2.5 -2,-0.2 2,-1.0 -0.986 40.0-135.9-149.8 137.6 -6.6 -30.4 8.6 76 84 A H E > -i 134 0C 0 247,-1.9 3,-2.0 -2,-0.3 4,-0.4 -0.804 18.4-172.2 -92.3 95.5 -6.9 -27.2 6.5 77 85 A A G > S+ 0 0 0 57,-1.4 3,-1.3 -2,-1.0 4,-0.2 0.851 82.3 60.2 -54.8 -34.7 -10.7 -26.6 6.5 78 86 A S G 3 S+ 0 0 0 56,-0.9 -1,-0.3 1,-0.3 3,-0.2 0.542 98.5 55.6 -72.8 -13.7 -10.2 -23.9 4.0 79 87 A Q G X> S+ 0 0 0 -3,-2.0 3,-1.5 244,-0.2 4,-0.5 0.431 76.5 99.8 -96.3 -0.3 -8.6 -26.1 1.4 80 88 A Y G X4 + 0 0 42 -3,-1.3 3,-1.1 -4,-0.4 -1,-0.1 0.817 67.5 71.5 -56.6 -30.7 -11.5 -28.5 1.3 81 89 A S G 34 S+ 0 0 68 1,-0.3 -1,-0.3 -3,-0.2 -2,-0.1 0.799 110.1 29.8 -60.9 -29.1 -12.9 -27.0 -1.9 82 90 A F G X4 S+ 0 0 26 -3,-1.5 3,-1.3 3,-0.1 -1,-0.3 0.322 84.7 133.7-112.2 9.2 -10.1 -28.4 -4.1 83 91 A A T << + 0 0 29 -3,-1.1 244,-0.1 -4,-0.5 3,-0.1 -0.368 69.0 33.4 -57.4 132.1 -9.3 -31.6 -2.1 84 92 A G T 3 S+ 0 0 59 1,-0.5 2,-0.3 240,-0.3 -1,-0.2 0.571 109.8 74.5 95.4 11.4 -9.0 -34.5 -4.5 85 93 A S S < S+ 0 0 62 -3,-1.3 -1,-0.5 239,-0.2 2,-0.4 -0.806 85.6 19.4-133.4-177.4 -7.5 -32.5 -7.4 86 94 A S + 0 0 25 -2,-0.3 -3,-0.1 1,-0.2 8,-0.0 -0.400 59.2 140.8 64.8-110.2 -4.2 -30.9 -8.2 87 95 A I + 0 0 34 -2,-0.4 -1,-0.2 1,-0.1 240,-0.1 0.766 51.3 90.5 42.3 43.7 -1.6 -32.7 -5.9 88 96 A D + 0 0 108 2,-0.1 -1,-0.1 212,-0.1 3,-0.1 0.674 60.5 66.8-129.7 -64.4 1.1 -32.8 -8.7 89 97 A L S S- 0 0 29 1,-0.1 5,-0.0 4,-0.1 -1,-0.0 -0.120 96.3 -79.9 -59.2 163.6 3.5 -29.8 -8.9 90 98 A P > - 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