Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4cwa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 4.A N LEU 18.A O no hydrogen 2.777 N/A SER 5.A OG SER 17.A OG no hydrogen 2.689 N/A GLU 6.A N PHE 16.A O no hydrogen 2.925 N/A MET 10.A N SER 8.A OG no hydrogen 2.896 N/A TRP 11.A N SER 8.A O no hydrogen 3.162 N/A GLN 14.A N TRP 11.A O no hydrogen 3.442 N/A SER 17.A OG SER 5.A OG no hydrogen 2.689 N/A LEU 18.A N PHE 4.A O no hydrogen 2.944 N/A ILE 20.A N LYS 2.A O no hydrogen 3.006 N/A LYS 21.A N GLU 38.A O no hydrogen 2.738 N/A LYS 22.A N GLU 38.A O no hydrogen 2.980 N/A LEU 24.A N VAL 36.A O no hydrogen 2.895 N/A TYR 25.A N VAL 36.A O no hydrogen 3.261 N/A THR 27.A N VAL 34.A O no hydrogen 3.022 N/A SER 29.A N GLN 32.A O no hydrogen 2.803 N/A SER 29.A OG GLN 32.A O no hydrogen 3.244 N/A SER 29.A OG ASP 109.A OD2 no hydrogen 2.472 N/A LYS 30.A NZ TYR 31.A OH no hydrogen 3.336 N/A TYR 31.A N SER 29.A OG no hydrogen 2.925 N/A GLN 32.A N SER 29.A OG no hydrogen 3.117 N/A GLN 32.A NE2 ASP 109.A OD2 no hydrogen 2.879 N/A ASN 33.A N ASP 49.A OD1 no hydrogen 2.750 N/A VAL 34.A N THR 27.A O no hydrogen 2.876 N/A LEU 35.A N VAL 47.A O no hydrogen 2.770 N/A VAL 36.A N TYR 25.A O no hydrogen 2.814 N/A PHE 37.A N VAL 45.A O no hydrogen 3.060 N/A GLU 38.A N LYS 22.A O no hydrogen 2.878 N/A SER 39.A N GLY 43.A O no hydrogen 2.756 N/A SER 39.A OG GLY 43.A O no hydrogen 2.618 N/A THR 40.A N LYS 19.A O no hydrogen 2.962 N/A TYR 42.A N SER 39.A OG no hydrogen 2.681 N/A LYS 44.A N GLU 56.A OE1 no hydrogen 2.757 N/A LYS 44.A NZ GLU 56.A OE2 no hydrogen 3.505 N/A LYS 44.A NZ TYR 119.A O no hydrogen 3.190 N/A VAL 45.A N PHE 37.A O no hydrogen 2.714 N/A LEU 46.A N LEU 54.A O no hydrogen 3.037 N/A VAL 47.A N LEU 35.A O no hydrogen 2.868 N/A LEU 48.A N VAL 51.A O no hydrogen 2.985 N/A ASP 49.A N ASN 33.A O no hydrogen 2.868 N/A VAL 51.A N LEU 48.A O no hydrogen 3.012 N/A ILE 52.A N GLU 6.A OE2 no hydrogen 2.873 N/A GLN 53.A N LEU 46.A O no hydrogen 2.745 N/A THR 55.A OG1 TYR 42.A O no hydrogen 3.533 N/A THR 55.A OG1 ASP 58.A OD1 no hydrogen 2.888 N/A GLU 56.A N LYS 44.A O no hydrogen 2.979 N/A LYS 57.A N TYR 42.A O no hydrogen 3.142 N/A GLU 59.A N THR 55.A O no hydrogen 3.033 N/A ALA 61.A N ASP 58.A O no hydrogen 3.019 N/A TYR 62.A OH ASP 156.A OD1 no hydrogen 2.589 N/A HIS 63.A N GLU 59.A O no hydrogen 3.101 N/A HIS 63.A ND1 GLU 59.A OE1 no hydrogen 2.692 N/A GLU 64.A N PHE 60.A O no hydrogen 2.898 N/A MET 65.A N ALA 61.A O no hydrogen 3.231 N/A MET 66.A N TYR 62.A O no hydrogen 3.077 N/A THR 67.A N HIS 63.A O no hydrogen 3.142 N/A THR 67.A OG1 HIS 63.A O no hydrogen 2.714 N/A HIS 68.A N GLU 64.A O no hydrogen 2.833 N/A HIS 68.A ND1 TYR 97.A OH no hydrogen 2.817 N/A HIS 68.A NE2 GLU 93.A OE1 no hydrogen 2.936 N/A VAL 69.A N MET 65.A O no hydrogen 3.341 N/A MET 71.A N THR 67.A O no hydrogen 3.071 N/A THR 72.A N HIS 68.A O no hydrogen 3.067 N/A THR 72.A OG1 HIS 68.A O no hydrogen 2.653 N/A THR 72.A OG1 VAL 69.A O no hydrogen 3.434 N/A THR 72.A OG1 TYR 259.A OH no hydrogen 2.962 N/A THR 72.A OG1 HIS 264.A ND1 no hydrogen 3.330 N/A VAL 73.A N PRO 70.A O no hydrogen 3.190 N/A SER 74.A N PRO 70.A O no hydrogen 2.922 N/A LYS 78.A N ASP 151.A OD2 no hydrogen 2.629 N/A ASN 79.A N ASP 151.A OD2 no hydrogen 2.938 N/A ASN 79.A ND2 THR 149.A O no hydrogen 3.509 N/A VAL 80.A N ASN 102.A O no hydrogen 3.134 N/A LEU 81.A N VAL 152.A O no hydrogen 3.084 N/A VAL 82.A N ASP 104.A O no hydrogen 2.843 N/A VAL 83.A N ILE 154.A O no hydrogen 2.862 N/A GLY 84.A N CYS 106.A O no hydrogen 2.792 N/A GLY 86.A N GLU 107.A OE1 no hydrogen 3.164 N/A GLY 88.A N GLY 85.A O no hydrogen 2.914 N/A GLY 89.A N ASP 87.A OD2 no hydrogen 2.756 N/A ARG 92.A N GLY 88.A O no hydrogen 2.793 N/A ARG 92.A NE GLU 93.A OE2 no hydrogen 3.035 N/A ARG 92.A NH1 GLU 59.A OE1 no hydrogen 3.479 N/A ARG 92.A NH1 GLU 59.A OE2 no hydrogen 2.896 N/A ARG 92.A NH1 ASN 122.A O no hydrogen 2.987 N/A ARG 92.A NH2 GLU 59.A OE1 no hydrogen 2.856 N/A ARG 92.A NH2 GLU 59.A OE2 no hydrogen 3.467 N/A ARG 92.A NH2 GLU 93.A OE2 no hydrogen 2.881 N/A GLU 93.A N GLY 89.A O no hydrogen 3.244 N/A LEU 94.A N ILE 90.A O no hydrogen 2.787 N/A CYS 95.A N ILE 91.A O no hydrogen 2.988 N/A CYS 95.A SG ILE 91.A O no hydrogen 3.410 N/A LYS 96.A N GLU 93.A O no hydrogen 3.367 N/A LYS 96.A NZ GLU 93.A OE1 no hydrogen 2.696 N/A LYS 96.A NZ GLU 93.A OE2 no hydrogen 3.313 N/A LYS 96.A NZ ASP 255.A OD1 no hydrogen 3.301 N/A TYR 97.A N LEU 94.A O no hydrogen 3.041 N/A TYR 97.A OH HIS 68.A ND1 no hydrogen 2.817 N/A LYS 98.A NZ GLU 252.A OE1 no hydrogen 3.075 N/A LYS 98.A NZ GLU 252.A OE2 no hydrogen 3.003 N/A SER 99.A OG PRO 77.A O no hydrogen 3.119 N/A VAL 100.A N TYR 97.A O no hydrogen 3.224 N/A GLU 101.A N LYS 78.A O no hydrogen 2.857 N/A ASN 102.A N LYS 78.A O no hydrogen 3.044 N/A ASN 102.A ND2 ASN 133.A OD1 no hydrogen 2.861 N/A ILE 103.A N ARG 131.A O no hydrogen 2.950 N/A ASP 104.A N VAL 80.A O no hydrogen 2.993 N/A ILE 105.A N ASN 133.A O no hydrogen 2.851 N/A CYS 106.A N VAL 82.A O no hydrogen 2.966 N/A CYS 106.A SG GLU 137.A O no hydrogen 3.277 N/A CYS 106.A SG ASP 138.A O no hydrogen 3.999 N/A GLU 107.A N PHE 135.A O no hydrogen 2.987 N/A ASP 109.A N GLU 107.A OE2 no hydrogen 2.970 N/A THR 111.A N ASP 109.A OD1 no hydrogen 3.160 N/A THR 111.A OG1 ASP 109.A OD1 no hydrogen 3.347 N/A VAL 112.A N ASP 109.A O no hydrogen 3.013 N/A GLU 114.A N GLU 110.A O no hydrogen 2.966 N/A VAL 115.A N THR 111.A O no hydrogen 2.906 N/A SER 116.A N VAL 112.A O no hydrogen 3.023 N/A SER 116.A OG ASP 87.A O no hydrogen 2.519 N/A LYS 117.A N ILE 113.A O no hydrogen 2.874 N/A ILE 118.A N GLU 114.A O no hydrogen 3.117 N/A TYR 119.A N VAL 115.A O no hydrogen 2.854 N/A PHE 120.A N SER 116.A O no hydrogen 2.893 N/A LYS 121.A NZ LYS 117.A O no hydrogen 3.318 N/A LYS 121.A NZ ILE 118.A O no hydrogen 3.423 N/A ILE 123.A N PHE 120.A O no hydrogen 2.908 N/A SER 124.A N PHE 120.A O no hydrogen 3.083 N/A SER 124.A OG SER 116.A O no hydrogen 2.787 N/A SER 124.A OG PHE 120.A O no hydrogen 3.044 N/A CYS 125.A SG ASN 122.A O no hydrogen 3.923 N/A TYR 127.A N SER 124.A O no hydrogen 3.177 N/A TYR 127.A OH GLY 86.A O no hydrogen 2.575 N/A GLU 128.A N CYS 125.A O no hydrogen 3.290 N/A ASP 129.A N GLY 126.A O no hydrogen 2.884 N/A ARG 131.A N ASP 129.A OD1 no hydrogen 2.870 N/A ARG 131.A NE ASP 129.A OD1 no hydrogen 2.879 N/A ARG 131.A NH1 TYR 97.A O no hydrogen 2.790 N/A ARG 131.A NH1 VAL 100.A O no hydrogen 2.860 N/A ARG 131.A NH2 CYS 95.A O no hydrogen 2.899 N/A ARG 131.A NH2 ASP 129.A OD2 no hydrogen 2.899 N/A VAL 132.A N ASP 129.A O no hydrogen 3.032 N/A ASN 133.A N ILE 103.A O no hydrogen 2.779 N/A PHE 135.A N ILE 105.A O no hydrogen 2.749 N/A GLU 137.A N GLU 107.A O no hydrogen 3.383 N/A LYS 141.A N ASP 138.A OD2 no hydrogen 2.989 N/A PHE 142.A N ASP 138.A O no hydrogen 3.010 N/A LEU 143.A N ALA 139.A O no hydrogen 2.877 N/A GLU 144.A N SER 140.A O no hydrogen 2.992 N/A ASN 145.A N LYS 141.A O no hydrogen 3.087 N/A ASN 145.A N PHE 142.A O no hydrogen 3.135 N/A VAL 146.A N PHE 142.A O no hydrogen 2.926 N/A TYR 150.A N ALA 179.A O no hydrogen 2.841 N/A TYR 150.A OH ASP 104.A OD2 no hydrogen 2.738 N/A ASP 151.A N ASN 79.A O no hydrogen 2.886 N/A ILE 153.A N TYR 185.A O no hydrogen 2.981 N/A ILE 154.A N LEU 81.A O no hydrogen 2.944 N/A VAL 155.A N VAL 187.A O no hydrogen 2.862 N/A ASP 156.A N VAL 83.A O no hydrogen 2.838 N/A SER 157.A OG SER 158.A O no hydrogen 2.990 N/A GLU 165.A N GLY 162.A O no hydrogen 3.236 N/A LEU 167.A N ALA 164.A O no hydrogen 3.080 N/A ASN 169.A ND2 THR 166.A O no hydrogen 2.617 N/A PHE 172.A N ASN 169.A OD1 no hydrogen 3.170 N/A GLU 174.A N GLN 170.A O no hydrogen 3.151 N/A LYS 175.A N ASN 171.A O no hydrogen 3.238 N/A LYS 175.A NZ SER 140.A O no hydrogen 3.350 N/A ILE 176.A N PHE 172.A O no hydrogen 3.064 N/A TYR 177.A N TYR 173.A O no hydrogen 2.927 N/A ASN 178.A N GLU 174.A O no hydrogen 2.888 N/A ALA 179.A N LYS 175.A O no hydrogen 2.923 N/A LEU 180.A N TYR 177.A O no hydrogen 3.207 N/A LYS 181.A N TYR 150.A O no hydrogen 2.820 N/A LYS 181.A NZ THR 149.A O no hydrogen 3.297 N/A LYS 181.A NZ THR 149.A OG1 no hydrogen 3.012 N/A ASN 183.A N ASN 183.A OD1 no hydrogen 2.450 N/A GLY 184.A N LYS 181.A O no hydrogen 3.093 N/A TYR 185.A N ASP 151.A O no hydrogen 3.045 N/A CYS 186.A N CYS 234.A O no hydrogen 3.063 N/A CYS 186.A SG ILE 153.A O no hydrogen 3.596 N/A VAL 187.A N ILE 153.A O no hydrogen 3.035 N/A ALA 188.A N LEU 232.A O no hydrogen 2.897 N/A GLN 189.A N VAL 155.A O no hydrogen 2.990 N/A GLN 189.A NE2 SER 157.A O no hydrogen 2.807 N/A GLN 189.A NE2 SER 158.A O no hydrogen 3.354 N/A CYS 190.A N GLY 230.A O no hydrogen 2.867 N/A GLU 191.A N GLN 189.A OE1 no hydrogen 2.981 N/A SER 192.A N HIS 196.A ND1 no hydrogen 3.046 N/A TRP 194.A N SER 192.A OG no hydrogen 3.360 N/A ILE 195.A N SER 192.A O no hydrogen 3.076 N/A HIS 196.A N SER 192.A O no hydrogen 2.883 N/A HIS 196.A NE2 MET 10.A O no hydrogen 3.172 N/A ILE 200.A N HIS 196.A O no hydrogen 3.028 N/A LYS 201.A N VAL 197.A O no hydrogen 2.918 N/A ASN 202.A N GLY 198.A O no hydrogen 2.956 N/A MET 203.A N THR 199.A O no hydrogen 2.864 N/A ILE 204.A N ILE 200.A O no hydrogen 3.032 N/A GLY 205.A N LYS 201.A O no hydrogen 3.004 N/A TYR 206.A N ASN 202.A O no hydrogen 2.984 N/A ALA 207.A N MET 203.A O no hydrogen 2.915 N/A LYS 208.A N ILE 204.A O no hydrogen 2.960 N/A LYS 208.A N GLY 205.A O no hydrogen 3.010 N/A LYS 208.A NZ ILE 281.A O no hydrogen 3.114 N/A LYS 209.A N GLY 205.A O no hydrogen 3.246 N/A LEU 210.A N ALA 207.A O no hydrogen 3.123 N/A PHE 211.A N ALA 207.A O no hydrogen 2.894 N/A LYS 212.A N SER 235.A O no hydrogen 3.129 N/A LYS 212.A NZ ASP 238.A OD1 no hydrogen 2.943 N/A LYS 213.A N SER 235.A O no hydrogen 3.241 N/A GLU 215.A N CYS 233.A O no hydrogen 2.823 N/A TYR 216.A OH CYS 190.A O no hydrogen 2.777 N/A ALA 217.A N ILE 231.A O no hydrogen 3.025 N/A ASN 218.A N ALA 267.A O no hydrogen 2.933 N/A ILE 219.A N ILE 229.A O no hydrogen 3.002 N/A SER 220.A N TYR 258.A OH no hydrogen 3.063 N/A ILE 221.A N GLY 227.A O no hydrogen 3.060 N/A THR 223.A N ASP 58.A OD2 no hydrogen 3.123 N/A THR 223.A OG1 ASP 58.A OD1 no hydrogen 3.116 N/A THR 223.A OG1 ASP 58.A OD2 no hydrogen 2.444 N/A TYR 224.A N ILE 221.A O no hydrogen 3.483 N/A TYR 224.A OH GLN 53.A O no hydrogen 2.823 N/A CYS 226.A SG GLN 14.A OE1 no hydrogen 3.871 N/A GLY 227.A N TYR 224.A O no hydrogen 2.793 N/A CYS 228.A SG SER 192.A OG no hydrogen 3.427 N/A CYS 228.A SG ASN 218.A OD1 no hydrogen 3.666 N/A ILE 229.A N ILE 219.A O no hydrogen 3.065 N/A GLY 230.A N GLU 191.A O no hydrogen 2.807 N/A ILE 231.A N ALA 217.A O no hydrogen 2.736 N/A LEU 232.A N ALA 188.A O no hydrogen 2.864 N/A CYS 233.A N GLU 215.A O no hydrogen 2.774 N/A CYS 233.A SG ILE 231.A O no hydrogen 3.703 N/A CYS 234.A N CYS 186.A O no hydrogen 2.811 N/A SER 235.A N LYS 213.A O no hydrogen 2.836 N/A LYS 236.A NZ TYR 177.A O no hydrogen 3.138 N/A LYS 236.A NZ LEU 180.A O no hydrogen 2.986 N/A LYS 236.A NZ LYS 181.A O no hydrogen 2.855 N/A THR 237.A OG1 THR 239.A OG1 no hydrogen 3.410 N/A THR 239.A OG1 THR 237.A OG1 no hydrogen 3.410 N/A LEU 241.A N GLU 215.A OE1 no hydrogen 2.858 N/A LYS 243.A NZ THR 242.A OG1 no hydrogen 3.140 N/A ASN 245.A N THR 72.A O no hydrogen 2.725 N/A ASN 245.A ND2 VAL 73.A O no hydrogen 2.847 N/A LYS 246.A NZ MET 71.A O no hydrogen 2.865 N/A LYS 246.A NZ SER 74.A O no hydrogen 2.713 N/A LYS 246.A NZ LYS 75.A O no hydrogen 3.404 N/A SER 250.A OG GLU 252.A OE1 no hydrogen 2.497 N/A GLU 252.A N GLU 252.A OE1 no hydrogen 2.902 N/A PHE 253.A N SER 250.A O no hydrogen 3.022 N/A ALA 254.A N LYS 251.A O no hydrogen 3.390 N/A LEU 256.A N PHE 253.A O no hydrogen 3.348 N/A LYS 257.A N GLU 64.A OE2 no hydrogen 2.909 N/A TYR 258.A N GLU 64.A OE1 no hydrogen 2.731 N/A TYR 259.A N GLU 64.A OE1 no hydrogen 2.908 N/A TYR 259.A OH HIS 264.A ND1 no hydrogen 2.833 N/A ASN 260.A N ASN 263.A OD1 no hydrogen 2.958 N/A ASN 263.A N ASN 260.A OD1 no hydrogen 2.892 N/A ASN 263.A ND2 TYR 258.A O no hydrogen 3.072 N/A HIS 264.A N ASN 260.A O no hydrogen 3.130 N/A HIS 264.A ND1 TYR 259.A OH no hydrogen 2.833 N/A HIS 264.A NE2 LEU 241.A O no hydrogen 2.691 N/A SER 265.A OG THR 242.A O no hydrogen 3.087 N/A ALA 266.A N GLU 262.A O no hydrogen 3.116 N/A ALA 267.A N ASN 263.A O no hydrogen 3.043 N/A PHE 268.A N SER 265.A O no hydrogen 3.127 N/A LYS 269.A N ALA 266.A O no hydrogen 2.932 N/A LEU 274.A N PRO 271.A O no hydrogen 3.019 N/A LEU 275.A N PRO 271.A O no hydrogen 3.343 N/A LYS 276.A N ALA 272.A O no hydrogen 3.231 N/A LYS 276.A NZ GLU 279.A OE2 no hydrogen 3.279 N/A GLU 277.A N PHE 273.A O no hydrogen 3.113 N/A ILE 278.A N LEU 274.A O no hydrogen 3.172 N/A ILE 278.A N LEU 275.A O no hydrogen 3.346 N/A