Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3q0k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 5.A N SER 2.A O no hydrogen 3.357 N/A GLY 7.A N GLN 127.A OE1 no hydrogen 2.739 N/A ASN 8.A N GLU 5.A O no hydrogen 2.941 N/A ASN 8.A ND2 SER 2.A O no hydrogen 2.311 N/A TYR 9.A OH GLU 120.A OE1 no hydrogen 2.868 N/A ARG 11.A NE ARG 11.A O no hydrogen 2.834 N/A VAL 13.A N TYR 9.A O no hydrogen 3.100 N/A LYS 14.A N LYS 10.A O no hydrogen 2.832 N/A LYS 14.A NZ ASP 17.A OD1 no hydrogen 2.741 N/A ARG 15.A N THR 12.A O no hydrogen 3.348 N/A ILE 16.A N VAL 13.A O no hydrogen 3.158 N/A ASP 18.A N LYS 14.A O no hydrogen 3.219 N/A GLY 19.A N ARG 15.A O no hydrogen 3.046 N/A HIS 20.A N ILE 16.A O no hydrogen 3.245 N/A ARG 21.A N ASP 17.A O no hydrogen 3.024 N/A LEU 22.A N ASP 18.A O no hydrogen 2.793 N/A CYS 23.A N GLY 19.A O no hydrogen 3.032 N/A CYS 23.A SG GLY 19.A O no hydrogen 2.711 N/A SER 24.A N HIS 20.A O no hydrogen 3.030 N/A SER 24.A OG HIS 20.A O no hydrogen 3.382 N/A ASP 25.A N ARG 21.A O no hydrogen 2.903 N/A LEU 26.A N LEU 22.A O no hydrogen 2.918 N/A MET 27.A N CYS 23.A O no hydrogen 2.971 N/A ASN 28.A N SER 24.A O no hydrogen 2.928 N/A CYS 29.A N ASP 25.A O no hydrogen 2.898 N/A LEU 30.A N LEU 26.A O no hydrogen 2.945 N/A HIS 31.A N MET 27.A O no hydrogen 2.927 N/A GLU 32.A N ASN 28.A O no hydrogen 2.938 N/A ARG 33.A N CYS 29.A O no hydrogen 3.160 N/A ARG 33.A NE GLU 37.A OE2 no hydrogen 3.263 N/A ARG 33.A NH2 GLU 37.A OE2 no hydrogen 3.350 N/A ALA 34.A N LEU 30.A O no hydrogen 2.907 N/A ARG 35.A N HIS 31.A O no hydrogen 2.905 N/A ILE 36.A N GLU 32.A O no hydrogen 2.987 N/A GLU 37.A N ARG 33.A O no hydrogen 2.797 N/A LYS 38.A N ALA 34.A O no hydrogen 3.024 N/A ALA 39.A N ARG 35.A O no hydrogen 3.232 N/A ALA 39.A N ILE 36.A O no hydrogen 3.079 N/A TYR 40.A N ILE 36.A O no hydrogen 3.364 N/A ALA 41.A N GLU 37.A O no hydrogen 3.331 N/A GLN 42.A N ALA 39.A O no hydrogen 3.270 N/A GLN 42.A NE2 GLU 46.A OE1 no hydrogen 3.432 N/A GLN 43.A N ALA 39.A O no hydrogen 3.136 N/A LEU 44.A N TYR 40.A O no hydrogen 3.052 N/A THR 45.A N ALA 41.A O no hydrogen 3.334 N/A THR 45.A OG1 ALA 41.A O no hydrogen 2.766 N/A GLU 46.A N GLN 42.A O no hydrogen 3.194 N/A TRP 47.A N GLN 43.A O no hydrogen 3.233 N/A ALA 48.A N LEU 44.A O no hydrogen 2.805 N/A ARG 49.A N THR 45.A O no hydrogen 3.164 N/A ARG 50.A N GLU 46.A O no hydrogen 2.867 N/A TRP 51.A N TRP 47.A O no hydrogen 2.862 N/A ARG 52.A N ALA 48.A O no hydrogen 2.914 N/A GLN 53.A N ARG 49.A O no hydrogen 3.268 N/A LEU 54.A N ARG 50.A O no hydrogen 3.007 N/A VAL 55.A N TRP 51.A O no hydrogen 2.911 N/A GLU 56.A N ARG 52.A O no hydrogen 2.867 N/A LYS 57.A N GLN 53.A O no hydrogen 2.862 N/A LYS 57.A N LEU 54.A O no hydrogen 3.312 N/A GLY 58.A N VAL 55.A O no hydrogen 3.388 N/A THR 63.A N ASP 266.A OD1 no hydrogen 3.025 N/A THR 63.A OG1 ASP 262.A O no hydrogen 3.216 N/A THR 63.A OG1 ASP 266.A OD1 no hydrogen 2.982 N/A LYS 66.A N GLY 62.A O no hydrogen 3.394 N/A ALA 67.A N THR 63.A O no hydrogen 3.369 N/A MET 69.A N GLU 65.A O no hydrogen 2.992 N/A ALA 70.A N LYS 66.A O no hydrogen 2.956 N/A ALA 70.A N ALA 67.A O no hydrogen 3.102 N/A PHE 71.A N ALA 67.A O no hydrogen 3.167 N/A MET 72.A N TRP 68.A O no hydrogen 3.246 N/A SER 73.A N MET 69.A O no hydrogen 3.041 N/A GLU 74.A N ALA 70.A O no hydrogen 3.084 N/A GLU 74.A N PHE 71.A O no hydrogen 3.168 N/A ARG 77.A N SER 73.A O no hydrogen 3.366 N/A ARG 77.A NH1 ASP 253.A OD1 no hydrogen 3.485 N/A ARG 77.A NH2 ASP 253.A OD1 no hydrogen 3.004 N/A VAL 78.A N GLU 74.A O no hydrogen 2.920 N/A SER 79.A N ALA 75.A O no hydrogen 2.899 N/A SER 79.A OG ALA 41.A O no hydrogen 3.175 N/A SER 79.A OG THR 45.A OG1 no hydrogen 3.241 N/A GLU 80.A N GLU 76.A O no hydrogen 2.964 N/A LEU 81.A N ARG 77.A O no hydrogen 3.060 N/A HIS 82.A N VAL 78.A O no hydrogen 3.067 N/A HIS 82.A N SER 79.A O no hydrogen 3.047 N/A HIS 82.A ND1 GLU 37.A OE1 no hydrogen 2.461 N/A LEU 83.A N SER 79.A O no hydrogen 2.990 N/A LEU 83.A N GLU 80.A O no hydrogen 3.269 N/A GLU 84.A N GLU 80.A O no hydrogen 2.965 N/A VAL 85.A N LEU 81.A O no hydrogen 3.174 N/A LYS 86.A N HIS 82.A O no hydrogen 2.977 N/A ALA 87.A N LEU 83.A O no hydrogen 2.849 N/A SER 88.A N GLU 84.A O no hydrogen 2.954 N/A SER 88.A OG GLU 84.A O no hydrogen 3.205 N/A LEU 89.A N VAL 85.A O no hydrogen 2.931 N/A MET 90.A N LYS 86.A O no hydrogen 2.939 N/A ASN 91.A N ALA 87.A O no hydrogen 2.691 N/A ASP 92.A N SER 88.A O no hydrogen 2.866 N/A ASP 93.A N SER 88.A O no hydrogen 3.431 N/A PHE 94.A N LEU 89.A O no hydrogen 3.092 N/A LYS 96.A N ASP 92.A O no hydrogen 2.893 N/A LYS 96.A NZ GLU 230.A OE2 no hydrogen 3.183 N/A LYS 96.A NZ GLU 234.A OE1 no hydrogen 3.169 N/A LYS 96.A NZ GLU 234.A OE2 no hydrogen 3.407 N/A ILE 97.A N ASP 93.A O no hydrogen 2.996 N/A LYS 98.A N PHE 94.A O no hydrogen 2.884 N/A ASN 99.A N GLU 95.A O no hydrogen 2.915 N/A TRP 100.A N LYS 96.A O no hydrogen 2.957 N/A GLN 101.A N ILE 97.A O no hydrogen 3.003 N/A GLN 101.A NE2 SER 24.A OG no hydrogen 3.055 N/A GLU 103.A N TRP 100.A O no hydrogen 3.130 N/A ALA 104.A N TRP 100.A O no hydrogen 3.086 N/A PHE 105.A N GLN 101.A O no hydrogen 2.872 N/A HIS 106.A N GLU 115.A OE1 no hydrogen 2.775 N/A LYS 107.A NZ GLY 112.A O no hydrogen 3.329 N/A GLN 108.A N GLY 112.A O no hydrogen 3.294 N/A GLY 111.A N GLN 108.A O no hydrogen 2.758 N/A LYS 114.A N HIS 106.A O no hydrogen 2.862 N/A THR 116.A N PHE 113.A O no hydrogen 3.188 N/A LYS 117.A N PHE 113.A O no hydrogen 3.206 N/A LYS 117.A NZ ASP 121.A OD2 no hydrogen 3.018 N/A GLU 118.A N LYS 114.A O no hydrogen 3.044 N/A ALA 119.A N GLU 115.A O no hydrogen 3.366 N/A GLU 120.A N THR 116.A O no hydrogen 3.044 N/A ASP 121.A N LYS 117.A O no hydrogen 2.943 N/A GLY 122.A N GLU 118.A O no hydrogen 3.229 N/A PHE 123.A N ALA 119.A O no hydrogen 3.218 N/A ARG 124.A N GLU 120.A O no hydrogen 3.130 N/A ARG 124.A NH1 GLU 120.A OE1 no hydrogen 3.249 N/A LYS 125.A N ASP 121.A O no hydrogen 3.001 N/A ALA 126.A N GLY 122.A O no hydrogen 3.093 N/A GLN 127.A N PHE 123.A O no hydrogen 2.969 N/A LYS 128.A N ARG 124.A O no hydrogen 2.397 N/A ALA 131.A N GLN 127.A O no hydrogen 3.003 N/A ALA 131.A N LYS 128.A O no hydrogen 2.998 N/A LYS 132.A N LYS 128.A O no hydrogen 3.213 N/A LYS 132.A N PRO 129.A O no hydrogen 3.170 N/A LYS 135.A N ALA 131.A O no hydrogen 3.306 N/A LYS 135.A N LYS 132.A O no hydrogen 2.890 N/A GLU 136.A N LYS 132.A O no hydrogen 3.118 N/A VAL 137.A N LYS 133.A O no hydrogen 2.868 N/A GLU 138.A N LEU 134.A O no hydrogen 3.213 N/A ALA 139.A N LYS 135.A O no hydrogen 3.163 N/A ALA 140.A N GLU 136.A O no hydrogen 3.002 N/A LYS 141.A N VAL 137.A O no hydrogen 2.627 N/A LYS 141.A N GLU 138.A O no hydrogen 3.126 N/A LYS 142.A N GLU 138.A O no hydrogen 3.030 N/A ALA 143.A N ALA 139.A O no hydrogen 2.736 N/A HIS 144.A N ALA 140.A O no hydrogen 3.332 N/A HIS 145.A N LYS 141.A O no hydrogen 3.344 N/A ALA 146.A N LYS 142.A O no hydrogen 3.160 N/A ALA 147.A N ALA 143.A O no hydrogen 3.111 N/A CYS 148.A N HIS 144.A O no hydrogen 3.058 N/A LYS 149.A N HIS 145.A O no hydrogen 2.945 N/A GLU 150.A N ALA 146.A O no hydrogen 2.902 N/A GLU 151.A N ALA 147.A O no hydrogen 2.916 N/A LYS 152.A N CYS 148.A O no hydrogen 2.963 N/A LEU 153.A N GLU 150.A O no hydrogen 3.196 N/A ALA 154.A N GLU 150.A O no hydrogen 3.119 N/A ILE 155.A N GLU 151.A O no hydrogen 3.330 N/A ALA 159.A N ILE 155.A O no hydrogen 3.031 N/A ASN 160.A N SER 156.A O no hydrogen 2.875 N/A SER 161.A OG LYS 162.A O no hydrogen 2.298 N/A SER 165.A OG SER 165.A O no hydrogen 2.297 N/A LYS 172.A N PRO 168.A O no hydrogen 2.995 N/A LYS 173.A N GLU 169.A O no hydrogen 2.902 N/A LEU 174.A N GLN 170.A O no hydrogen 2.967 N/A GLN 175.A N LEU 171.A O no hydrogen 2.913 N/A ASP 176.A N LYS 172.A O no hydrogen 2.887 N/A LYS 177.A N LYS 173.A O no hydrogen 2.902 N/A ILE 178.A N LEU 174.A O no hydrogen 3.222 N/A GLU 179.A N GLN 175.A O no hydrogen 3.118 N/A LYS 180.A N ASP 176.A O no hydrogen 2.863 N/A CYS 181.A N LYS 177.A O no hydrogen 3.099 N/A CYS 181.A SG LYS 177.A O no hydrogen 3.671 N/A LYS 182.A N ILE 178.A O no hydrogen 3.180 N/A GLN 183.A N GLU 179.A O no hydrogen 3.325 N/A ASP 184.A N LYS 180.A O no hydrogen 2.908 N/A VAL 185.A N CYS 181.A O no hydrogen 3.074 N/A LEU 186.A N LYS 182.A O no hydrogen 2.935 N/A LYS 187.A N GLN 183.A O no hydrogen 2.917 N/A THR 188.A N ASP 184.A O no hydrogen 2.863 N/A THR 188.A N VAL 185.A O no hydrogen 3.237 N/A THR 188.A OG1 ASP 184.A O no hydrogen 2.345 N/A THR 188.A OG1 VAL 185.A O no hydrogen 2.758 N/A LYS 189.A N VAL 185.A O no hydrogen 3.044 N/A GLU 190.A N LEU 186.A O no hydrogen 3.299 N/A TYR 192.A N THR 188.A O no hydrogen 2.950 N/A GLU 193.A N LYS 189.A O no hydrogen 2.886 N/A LYS 194.A N GLU 190.A O no hydrogen 2.941 N/A SER 195.A N LYS 191.A O no hydrogen 2.975 N/A LEU 196.A N TYR 192.A O no hydrogen 2.969 N/A LYS 197.A N GLU 193.A O no hydrogen 2.961 N/A GLU 198.A N LYS 194.A O no hydrogen 2.891 N/A LEU 199.A N SER 195.A O no hydrogen 2.974 N/A GLY 202.A N GLU 198.A O no hydrogen 3.465 N/A THR 203.A N LEU 199.A O no hydrogen 2.703 N/A THR 203.A OG1 ASP 200.A O no hydrogen 2.558 N/A GLN 205.A N GLN 201.A O no hydrogen 3.193 N/A GLN 205.A NE2 GLU 208.A OE2 no hydrogen 3.014 N/A TYR 206.A N GLY 202.A O no hydrogen 2.918 N/A TYR 206.A OH TRP 4.A O no hydrogen 2.982 N/A MET 207.A N THR 203.A O no hydrogen 2.891 N/A GLU 208.A N PRO 204.A O no hydrogen 3.070 N/A ASN 209.A N GLN 205.A O no hydrogen 3.002 N/A ASN 209.A ND2 ALA 126.A O no hydrogen 3.600 N/A MET 210.A N TYR 206.A O no hydrogen 2.954 N/A GLU 211.A N MET 207.A O no hydrogen 3.135 N/A GLN 212.A N GLU 208.A O no hydrogen 3.333 N/A PHE 214.A N MET 210.A O no hydrogen 3.038 N/A GLU 215.A N GLU 211.A O no hydrogen 2.898 N/A CYS 217.A N VAL 213.A O no hydrogen 3.042 N/A CYS 217.A N PHE 214.A O no hydrogen 2.834 N/A CYS 217.A SG VAL 213.A O no hydrogen 3.481 N/A GLN 218.A N PHE 214.A O no hydrogen 2.965 N/A GLN 219.A N GLU 215.A O no hydrogen 2.930 N/A GLU 221.A N CYS 217.A O no hydrogen 2.737 N/A GLU 222.A N GLN 218.A O no hydrogen 2.775 N/A LYS 223.A N GLN 219.A O no hydrogen 3.360 N/A LYS 223.A N PHE 220.A O no hydrogen 3.112 N/A ARG 224.A N PHE 220.A O no hydrogen 3.450 N/A LEU 225.A N GLU 221.A O no hydrogen 3.003 N/A ARG 226.A N GLU 222.A O no hydrogen 2.878 N/A ARG 226.A NH2 GLU 222.A OE1 no hydrogen 2.624 N/A PHE 227.A N LYS 223.A O no hydrogen 2.919 N/A PHE 228.A N ARG 224.A O no hydrogen 2.876 N/A ARG 229.A N LEU 225.A O no hydrogen 2.983 N/A GLU 230.A N ARG 226.A O no hydrogen 3.002 N/A VAL 231.A N PHE 227.A O no hydrogen 3.139 N/A LEU 232.A N PHE 228.A O no hydrogen 3.231 N/A LEU 233.A N ARG 229.A O no hydrogen 3.388 N/A VAL 235.A N VAL 231.A O no hydrogen 2.921 N/A GLN 236.A N LEU 232.A O no hydrogen 3.006 N/A LYS 237.A N LEU 233.A O no hydrogen 3.020 N/A HIS 238.A N GLU 234.A O no hydrogen 2.959 N/A LEU 239.A N VAL 235.A O no hydrogen 2.941 N/A ASP 240.A N LYS 237.A O no hydrogen 3.294 N/A SER 242.A N ASP 240.A OD1 no hydrogen 2.904 N/A SER 242.A OG ASP 240.A OD1 no hydrogen 2.457 N/A TYR 247.A N VAL 244.A O no hydrogen 3.129 N/A ALA 249.A N ALA 245.A O no hydrogen 3.250 N/A ILE 250.A N TYR 247.A O no hydrogen 3.040 N/A TYR 251.A N LYS 248.A O no hydrogen 3.116 N/A HIS 252.A N LYS 248.A O no hydrogen 3.093 N/A ASP 253.A N ALA 249.A O no hydrogen 2.992 N/A LEU 254.A N ILE 250.A O no hydrogen 3.008 N/A GLU 255.A N TYR 251.A O no hydrogen 2.913 N/A GLN 256.A N HIS 252.A O no hydrogen 3.003 N/A SER 257.A N ASP 253.A O no hydrogen 3.160 N/A SER 257.A OG ASP 253.A O no hydrogen 3.478 N/A ILE 258.A N LEU 254.A O no hydrogen 3.107 N/A ARG 259.A N GLU 255.A O no hydrogen 3.068 N/A ALA 260.A N SER 257.A O no hydrogen 3.328 N/A ALA 261.A N ILE 258.A O no hydrogen 3.271 N/A ASP 262.A N THR 63.A OG1 no hydrogen 2.996 N/A VAL 264.A N ASP 262.A OD2 no hydrogen 3.116 N/A ASP 266.A N ASP 262.A O no hydrogen 3.253 N/A LEU 267.A N VAL 264.A O no hydrogen 3.069 N/A ARG 268.A N VAL 264.A O no hydrogen 2.795 N/A TRP 269.A N GLU 265.A O no hydrogen 3.261 N/A ARG 271.A N LEU 267.A O no hydrogen 3.263 N/A ASN 273.A N TRP 269.A O no hydrogen 3.282 N/A ASN 273.A N PHE 270.A O no hydrogen 3.337 N/A HIS 274.A N PHE 270.A O no hydrogen 2.740 N/A GLY 275.A N ARG 271.A O no hydrogen 3.216 N/A GLY 277.A N ARG 271.A O no hydrogen 2.950 N/A MET 278.A N GLY 275.A O no hydrogen 3.130 N/A