Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2x3x_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 4.A N SER 2.A OG no hydrogen 3.407 N/A GLU 5.A N SER 2.A O no hydrogen 2.845 N/A GLY 7.A N GLN 127.A OE1 no hydrogen 3.181 N/A ASN 8.A N GLU 5.A O no hydrogen 3.292 N/A ASN 8.A ND2 SER 2.A O no hydrogen 2.698 N/A TYR 9.A OH GLU 120.A OE2 no hydrogen 2.648 N/A LYS 10.A N GLY 7.A O no hydrogen 3.157 N/A ARG 11.A NH2 ASP 1.A O no hydrogen 3.127 N/A THR 12.A N TYR 9.A O no hydrogen 3.040 N/A VAL 13.A N LYS 10.A O no hydrogen 2.736 N/A LYS 14.A N LYS 10.A O no hydrogen 2.862 N/A LYS 14.A NZ ASP 18.A OD1 no hydrogen 3.171 N/A LYS 14.A NZ ASP 18.A OD2 no hydrogen 2.866 N/A ARG 15.A N ARG 11.A O no hydrogen 3.314 N/A ILE 16.A N VAL 13.A O no hydrogen 3.048 N/A ASP 18.A N LYS 14.A O no hydrogen 2.876 N/A GLY 19.A N ARG 15.A O no hydrogen 2.577 N/A HIS 20.A N ILE 16.A O no hydrogen 3.441 N/A ARG 21.A N ASP 17.A O no hydrogen 3.243 N/A ARG 21.A NE ASP 25.A OD2 no hydrogen 3.156 N/A LEU 22.A N ASP 18.A O no hydrogen 2.905 N/A CYS 23.A N GLY 19.A O no hydrogen 3.393 N/A CYS 23.A SG GLY 19.A O no hydrogen 3.667 N/A ASN 24.A N HIS 20.A O no hydrogen 3.443 N/A ASN 24.A ND2 GLN 101.A OE1 no hydrogen 2.808 N/A ASP 25.A N ARG 21.A O no hydrogen 3.061 N/A LEU 26.A N LEU 22.A O no hydrogen 2.807 N/A MET 27.A N CYS 23.A O no hydrogen 3.000 N/A SER 28.A N ASN 24.A O no hydrogen 2.834 N/A CYS 29.A N ASP 25.A O no hydrogen 2.935 N/A VAL 30.A N LEU 26.A O no hydrogen 2.744 N/A GLN 31.A N MET 27.A O no hydrogen 2.783 N/A GLU 32.A N SER 28.A O no hydrogen 2.854 N/A ARG 33.A N CYS 29.A O no hydrogen 3.343 N/A ALA 34.A N VAL 30.A O no hydrogen 3.071 N/A LYS 35.A N GLN 31.A O no hydrogen 3.129 N/A GLU 37.A N ARG 33.A O no hydrogen 3.049 N/A LYS 38.A N ALA 34.A O no hydrogen 3.180 N/A LYS 38.A NZ GLN 42.A OE1 no hydrogen 3.311 N/A ALA 39.A N LYS 35.A O no hydrogen 3.123 N/A TYR 40.A N ILE 36.A O no hydrogen 3.365 N/A ALA 41.A N GLU 37.A O no hydrogen 2.978 N/A GLN 42.A N LYS 38.A O no hydrogen 2.781 N/A GLN 43.A N ALA 39.A O no hydrogen 2.938 N/A LEU 44.A N TYR 40.A O no hydrogen 3.008 N/A THR 45.A OG1 ALA 41.A O no hydrogen 3.070 N/A ASP 46.A N GLN 42.A O no hydrogen 3.107 N/A TRP 47.A N GLN 43.A O no hydrogen 2.966 N/A ALA 48.A N LEU 44.A O no hydrogen 2.688 N/A LYS 49.A N THR 45.A O no hydrogen 3.042 N/A ARG 50.A N ASP 46.A O no hydrogen 2.604 N/A TRP 51.A N TRP 47.A O no hydrogen 3.178 N/A ARG 52.A N ALA 48.A O no hydrogen 2.920 N/A ARG 52.A NH2 MET 72.A O no hydrogen 3.539 N/A GLN 53.A N LYS 49.A O no hydrogen 3.457 N/A LEU 54.A N ARG 50.A O no hydrogen 3.180 N/A ILE 55.A N TRP 51.A O no hydrogen 2.831 N/A GLU 56.A N ARG 52.A O no hydrogen 2.896 N/A LYS 57.A N GLN 53.A O no hydrogen 2.717 N/A LYS 57.A NZ GLN 53.A OE1 no hydrogen 3.354 N/A GLY 58.A N ILE 55.A O no hydrogen 3.058 N/A GLN 60.A NE2 TYR 61.A O no hydrogen 3.679 N/A SER 63.A N ASP 267.A OD2 no hydrogen 2.839 N/A SER 63.A OG ASP 263.A O no hydrogen 3.011 N/A SER 63.A OG ASP 267.A OD2 no hydrogen 2.406 N/A LEU 64.A N ASP 267.A OD1 no hydrogen 3.268 N/A ARG 66.A N GLY 62.A O no hydrogen 3.277 N/A ALA 67.A N SER 63.A O no hydrogen 2.852 N/A TRP 68.A N LEU 64.A O no hydrogen 3.011 N/A GLY 69.A N GLU 65.A O no hydrogen 2.777 N/A ALA 70.A N ARG 66.A O no hydrogen 2.707 N/A MET 71.A N TRP 68.A O no hydrogen 2.920 N/A MET 72.A N GLY 69.A O no hydrogen 2.931 N/A ALA 75.A N MET 71.A O no hydrogen 3.165 N/A ASP 76.A N MET 72.A O no hydrogen 3.137 N/A LYS 77.A N THR 73.A O no hydrogen 2.800 N/A LYS 77.A NZ GLU 254.A OE2 no hydrogen 2.923 N/A VAL 78.A N GLU 74.A O no hydrogen 2.702 N/A SER 79.A N ALA 75.A O no hydrogen 3.153 N/A SER 79.A OG ALA 41.A O no hydrogen 2.390 N/A SER 79.A OG THR 45.A OG1 no hydrogen 2.652 N/A GLU 80.A N ASP 76.A O no hydrogen 2.968 N/A LEU 81.A N LYS 77.A O no hydrogen 3.303 N/A LEU 81.A N VAL 78.A O no hydrogen 2.513 N/A HIS 82.A N VAL 78.A O no hydrogen 3.115 N/A GLN 83.A N SER 79.A O no hydrogen 3.088 N/A GLU 84.A N GLU 80.A O no hydrogen 3.180 N/A VAL 85.A N LEU 81.A O no hydrogen 3.133 N/A LYS 86.A N HIS 82.A O no hydrogen 3.254 N/A LYS 86.A NZ ASN 87.A OD1 no hydrogen 3.125 N/A ASN 87.A N GLN 83.A O no hydrogen 2.831 N/A SER 88.A N GLU 84.A O no hydrogen 2.977 N/A SER 88.A OG GLU 84.A O no hydrogen 3.083 N/A LEU 89.A N VAL 85.A O no hydrogen 2.740 N/A LEU 90.A N LYS 86.A O no hydrogen 3.125 N/A ASN 91.A N ASN 87.A O no hydrogen 2.520 N/A ASP 93.A N SER 88.A O no hydrogen 3.231 N/A LEU 94.A N LEU 89.A O no hydrogen 3.010 N/A LYS 96.A N ASP 93.A O no hydrogen 3.180 N/A LYS 96.A NZ GLU 231.A OE1 no hydrogen 3.114 N/A LYS 96.A NZ ASP 235.A OD2 no hydrogen 2.605 N/A VAL 97.A N ASP 93.A O no hydrogen 3.301 N/A LYS 98.A N LEU 94.A O no hydrogen 2.992 N/A LYS 98.A NZ GLU 95.A OE1 no hydrogen 2.617 N/A ASN 99.A N GLU 95.A O no hydrogen 2.967 N/A TRP 100.A N LYS 96.A O no hydrogen 2.956 N/A GLN 101.A N VAL 97.A O no hydrogen 3.085 N/A GLN 101.A NE2 HIS 20.A O no hydrogen 3.188 N/A LYS 102.A N LYS 98.A O no hydrogen 2.943 N/A LYS 102.A NZ ASN 99.A OD1 no hydrogen 3.327 N/A TYR 105.A N GLN 101.A O no hydrogen 3.001 N/A HIS 106.A N GLU 115.A OE2 no hydrogen 2.752 N/A HIS 106.A ND1 GLU 115.A OE1 no hydrogen 2.546 N/A GLN 108.A N GLY 112.A O no hydrogen 2.752 N/A GLY 111.A N GLN 108.A O no hydrogen 3.050 N/A LYS 114.A N HIS 106.A O no hydrogen 2.878 N/A GLU 115.A N GLU 115.A OE2 no hydrogen 2.836 N/A THR 116.A OG1 ASP 17.A OD1 no hydrogen 2.676 N/A LYS 117.A N PHE 113.A O no hydrogen 2.764 N/A LYS 117.A NZ ASP 121.A OD2 no hydrogen 2.744 N/A GLU 118.A N LYS 114.A O no hydrogen 3.337 N/A ALA 119.A N GLU 115.A O no hydrogen 3.116 N/A GLU 120.A N THR 116.A O no hydrogen 2.733 N/A ASP 121.A N LYS 117.A O no hydrogen 2.823 N/A GLY 122.A N GLU 118.A O no hydrogen 2.913 N/A PHE 123.A N ALA 119.A O no hydrogen 3.287 N/A ARG 124.A N GLU 120.A O no hydrogen 2.958 N/A LYS 125.A N ASP 121.A O no hydrogen 2.808 N/A ALA 126.A N GLY 122.A O no hydrogen 2.953 N/A GLN 127.A N PHE 123.A O no hydrogen 2.951 N/A LYS 128.A N LYS 125.A O no hydrogen 3.307 N/A ALA 131.A N GLN 127.A O no hydrogen 2.792 N/A LYS 132.A N LYS 128.A O no hydrogen 2.911 N/A LYS 133.A N PRO 129.A O no hydrogen 2.822 N/A MET 134.A N TRP 130.A O no hydrogen 3.057 N/A LEU 137.A N LYS 133.A O no hydrogen 2.906 N/A GLU 138.A N MET 134.A O no hydrogen 2.863 N/A ALA 140.A N GLU 136.A O no hydrogen 2.848 N/A LYS 141.A N LEU 137.A O no hydrogen 2.927 N/A LYS 142.A N GLU 138.A O no hydrogen 2.854 N/A ALA 143.A N ALA 139.A O no hydrogen 2.812 N/A TYR 144.A N ALA 140.A O no hydrogen 2.863 N/A HIS 145.A N LYS 141.A O no hydrogen 2.953 N/A LEU 146.A N LYS 142.A O no hydrogen 3.132 N/A LEU 146.A N ALA 143.A O no hydrogen 3.077 N/A ALA 147.A N ALA 143.A O no hydrogen 3.334 N/A CYS 148.A N TYR 144.A O no hydrogen 3.269 N/A CYS 148.A SG TYR 144.A O no hydrogen 3.307 N/A LYS 149.A N HIS 145.A O no hydrogen 3.268 N/A GLU 150.A N LEU 146.A O no hydrogen 2.856 N/A GLU 151.A N ALA 147.A O no hydrogen 2.857 N/A ARG 152.A N LYS 149.A O no hydrogen 3.270 N/A LEU 153.A N LYS 149.A O no hydrogen 3.131 N/A ALA 154.A N GLU 150.A O no hydrogen 2.961 N/A THR 156.A N ARG 152.A O no hydrogen 3.047 N/A THR 156.A OG1 ARG 152.A O no hydrogen 2.491 N/A ARG 157.A N LEU 153.A O no hydrogen 2.754 N/A GLU 158.A N ALA 154.A O no hydrogen 3.237 N/A MET 159.A N MET 155.A O no hydrogen 2.734 N/A ASN 160.A N THR 156.A O no hydrogen 3.301 N/A SER 161.A N GLU 158.A O no hydrogen 2.948 N/A SER 161.A OG GLU 158.A O no hydrogen 3.326 N/A LYS 162.A NZ MET 159.A O no hydrogen 3.252 N/A THR 168.A N SER 166.A O no hydrogen 2.668 N/A THR 168.A OG1 GLN 171.A OE1 no hydrogen 3.270 N/A GLN 171.A N THR 168.A O no hydrogen 2.800 N/A GLN 172.A N THR 168.A O no hydrogen 3.168 N/A GLN 172.A NE2 GLU 158.A OE2 no hydrogen 2.722 N/A LYS 174.A N GLN 171.A O no hydrogen 3.326 N/A ASP 177.A N LYS 173.A O no hydrogen 3.157 N/A LYS 178.A N LYS 174.A O no hydrogen 3.211 N/A VAL 179.A N LEU 175.A O no hydrogen 2.982 N/A ASP 180.A N VAL 176.A O no hydrogen 2.894 N/A LYS 181.A N LYS 178.A O no hydrogen 3.242 N/A LYS 181.A NZ GLN 184.A O no hydrogen 3.527 N/A CYS 182.A N LYS 178.A O no hydrogen 2.849 N/A CYS 182.A SG GLU 150.A O no hydrogen 3.363 N/A ARG 183.A N VAL 179.A O no hydrogen 2.509 N/A VAL 186.A N ARG 183.A O no hydrogen 2.731 N/A THR 189.A N ASP 185.A O no hydrogen 2.858 N/A GLN 190.A N VAL 186.A O no hydrogen 2.620 N/A GLU 191.A N GLN 187.A O no hydrogen 2.959 N/A LYS 192.A N LYS 188.A O no hydrogen 3.248 N/A LYS 192.A NZ GLU 136.A OE2 no hydrogen 2.911 N/A TYR 193.A N THR 189.A O no hydrogen 3.198 N/A GLU 194.A N GLN 190.A O no hydrogen 2.695 N/A LYS 195.A N GLU 191.A O no hydrogen 2.797 N/A VAL 196.A N LYS 192.A O no hydrogen 2.745 N/A LEU 197.A N TYR 193.A O no hydrogen 3.294 N/A GLU 198.A N GLU 194.A O no hydrogen 3.254 N/A ASP 199.A N LYS 195.A O no hydrogen 3.226 N/A VAL 200.A N VAL 196.A O no hydrogen 3.039 N/A GLY 201.A N LEU 197.A O no hydrogen 3.030 N/A LYS 202.A N GLU 198.A O no hydrogen 3.086 N/A THR 203.A N ASP 199.A O no hydrogen 2.751 N/A THR 203.A OG1 ASP 199.A O no hydrogen 3.314 N/A THR 204.A N VAL 200.A O no hydrogen 3.276 N/A THR 204.A OG1 VAL 200.A O no hydrogen 2.944 N/A THR 204.A OG1 GLY 201.A O no hydrogen 2.489 N/A GLN 206.A NE2 LYS 202.A O no hydrogen 3.178 N/A GLN 206.A NE2 THR 203.A O no hydrogen 3.687 N/A TYR 207.A N THR 203.A O no hydrogen 3.018 N/A TYR 207.A OH TRP 4.A O no hydrogen 2.999 N/A MET 208.A N THR 204.A O no hydrogen 2.809 N/A GLU 209.A N PRO 205.A O no hydrogen 2.805 N/A GLY 210.A N GLN 206.A O no hydrogen 3.241 N/A MET 211.A N TYR 207.A O no hydrogen 3.058 N/A GLU 212.A N MET 208.A O no hydrogen 2.806 N/A GLN 213.A N GLU 209.A O no hydrogen 3.023 N/A GLN 213.A NE2 GLU 209.A OE2 no hydrogen 3.466 N/A VAL 214.A N GLY 210.A O no hydrogen 3.360 N/A PHE 215.A N MET 211.A O no hydrogen 3.220 N/A GLU 216.A N GLU 212.A O no hydrogen 2.882 N/A GLN 217.A N GLN 213.A O no hydrogen 2.941 N/A CYS 218.A N VAL 214.A O no hydrogen 2.852 N/A CYS 218.A SG VAL 214.A O no hydrogen 3.509 N/A GLN 219.A N PHE 215.A O no hydrogen 2.805 N/A GLN 220.A N GLU 216.A O no hydrogen 3.079 N/A PHE 221.A N GLN 217.A O no hydrogen 3.253 N/A GLU 222.A N CYS 218.A O no hydrogen 2.977 N/A GLU 223.A N GLN 219.A O no hydrogen 2.762 N/A LYS 224.A N GLN 220.A O no hydrogen 3.320 N/A ARG 225.A N GLU 222.A O no hydrogen 2.688 N/A ARG 225.A NE GLU 222.A OE2 no hydrogen 3.556 N/A LEU 226.A N GLU 222.A O no hydrogen 3.122 N/A VAL 227.A N GLU 223.A O no hydrogen 2.892 N/A PHE 228.A N ARG 225.A O no hydrogen 2.942 N/A LEU 229.A N ARG 225.A O no hydrogen 2.869 N/A LYS 230.A N LEU 226.A O no hydrogen 3.046 N/A VAL 232.A N PHE 228.A O no hydrogen 2.868 N/A LEU 233.A N LEU 229.A O no hydrogen 2.853 N/A LEU 234.A N LYS 230.A O no hydrogen 3.040 N/A ASP 235.A N GLU 231.A O no hydrogen 2.783 N/A ILE 236.A N VAL 232.A O no hydrogen 2.974 N/A LYS 237.A N LEU 233.A O no hydrogen 2.919 N/A LYS 237.A NZ GLU 244.A OE1 no hydrogen 2.663 N/A ARG 238.A N LEU 234.A O no hydrogen 3.413 N/A HIS 239.A N ASP 235.A O no hydrogen 3.360 N/A HIS 239.A ND1 ASP 93.A OD2 no hydrogen 2.728 N/A LEU 240.A N ILE 236.A O no hydrogen 3.010 N/A ASN 241.A N LYS 237.A O no hydrogen 3.357 N/A ASN 241.A ND2 GLU 244.A OE1 no hydrogen 3.495 N/A GLU 244.A N ASN 241.A O no hydrogen 3.208 N/A SER 247.A OG ASN 245.A OD1 no hydrogen 2.758 N/A TYR 248.A N ASN 245.A O no hydrogen 3.253 N/A HIS 250.A N SER 246.A O no hydrogen 2.902 N/A VAL 251.A N TYR 248.A O no hydrogen 3.322 N/A ARG 253.A N MET 249.A O no hydrogen 3.365 N/A ARG 253.A NH2 GLU 254.A OE1 no hydrogen 2.975 N/A GLU 254.A N HIS 250.A O no hydrogen 3.271 N/A LEU 255.A N VAL 251.A O no hydrogen 3.141 N/A GLU 256.A N TYR 252.A O no hydrogen 3.173 N/A GLN 257.A N ARG 253.A O no hydrogen 3.245 N/A ALA 258.A N GLU 254.A O no hydrogen 3.067 N/A ILE 259.A N LEU 255.A O no hydrogen 3.258 N/A ARG 260.A N GLU 256.A O no hydrogen 3.049 N/A ARG 260.A NH2 GLU 256.A OE2 no hydrogen 3.550 N/A GLY 261.A N GLN 257.A O no hydrogen 2.928 N/A ALA 262.A N ILE 259.A O no hydrogen 3.025 N/A ASP 263.A N SER 63.A OG no hydrogen 3.058 N/A GLN 265.A N ASP 263.A OD1 no hydrogen 3.089 N/A ASP 267.A N ASP 263.A O no hydrogen 3.278 N/A LEU 268.A N ALA 264.A O no hydrogen 2.995 N/A ARG 269.A N GLN 265.A O no hydrogen 2.834 N/A TRP 270.A N GLU 266.A O no hydrogen 3.076 N/A PHE 271.A N ASP 267.A O no hydrogen 2.889 N/A ARG 272.A N LEU 268.A O no hydrogen 3.135 N/A SER 273.A N ARG 269.A O no hydrogen 3.243 N/A SER 273.A OG TRP 270.A O no hydrogen 3.344 N/A THR 274.A N TRP 270.A O no hydrogen 2.902 N/A THR 274.A OG1 TRP 270.A O no hydrogen 2.864 N/A THR 274.A OG1 PHE 271.A O no hydrogen 3.544 N/A SER 275.A N PHE 271.A O no hydrogen 2.754 N/A GLY 276.A N ARG 272.A O no hydrogen 2.970 N/A GLY 278.A N ARG 272.A O no hydrogen 2.906 N/A MET 279.A N GLY 276.A O no hydrogen 3.074 N/A GLN 285.A NE2 TRP 283.A O no hydrogen 3.256 N/A