Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2x3w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 1.A N ASP 1.A OD1 no hydrogen 2.258 N/A TRP 4.A N SER 2.A OG no hydrogen 3.425 N/A GLU 5.A N SER 2.A O no hydrogen 2.991 N/A ASN 8.A N GLU 5.A O no hydrogen 2.883 N/A ASN 8.A ND2 SER 2.A O no hydrogen 2.685 N/A LYS 10.A N GLY 7.A O no hydrogen 3.374 N/A LYS 10.A NZ ASN 8.A OD1 no hydrogen 3.461 N/A ARG 11.A NH1 ASP 1.A O no hydrogen 3.337 N/A ARG 11.A NH1 ASN 8.A O no hydrogen 3.409 N/A THR 12.A N TYR 9.A O no hydrogen 3.064 N/A VAL 13.A N TYR 9.A O no hydrogen 3.417 N/A LYS 14.A N LYS 10.A O no hydrogen 3.241 N/A ARG 15.A N ARG 11.A O no hydrogen 3.325 N/A ILE 16.A N VAL 13.A O no hydrogen 2.816 N/A ASP 18.A N LYS 14.A O no hydrogen 3.061 N/A GLY 19.A N ARG 15.A O no hydrogen 3.060 N/A ARG 21.A N ASP 17.A O no hydrogen 3.272 N/A ARG 21.A NE ASP 25.A OD2 no hydrogen 3.425 N/A LEU 22.A N ASP 18.A O no hydrogen 2.942 N/A CYS 23.A N GLY 19.A O no hydrogen 3.252 N/A CYS 23.A SG GLY 19.A O no hydrogen 3.641 N/A ASN 24.A N HIS 20.A O no hydrogen 3.413 N/A ASP 25.A N ARG 21.A O no hydrogen 3.063 N/A LEU 26.A N LEU 22.A O no hydrogen 2.874 N/A MET 27.A N CYS 23.A O no hydrogen 3.074 N/A SER 28.A N ASN 24.A O no hydrogen 2.931 N/A SER 28.A OG ASN 24.A O no hydrogen 3.325 N/A CYS 29.A N ASP 25.A O no hydrogen 3.020 N/A VAL 30.A N LEU 26.A O no hydrogen 3.083 N/A GLN 31.A N MET 27.A O no hydrogen 2.881 N/A GLU 32.A N SER 28.A O no hydrogen 2.990 N/A ARG 33.A N CYS 29.A O no hydrogen 3.227 N/A ARG 33.A NE GLU 37.A OE2 no hydrogen 3.255 N/A ARG 33.A NH2 GLU 37.A OE2 no hydrogen 3.356 N/A ALA 34.A N VAL 30.A O no hydrogen 3.034 N/A LYS 35.A N GLN 31.A O no hydrogen 3.104 N/A ILE 36.A N GLU 32.A O no hydrogen 3.079 N/A GLU 37.A N ARG 33.A O no hydrogen 3.072 N/A LYS 38.A N ALA 34.A O no hydrogen 3.099 N/A ALA 39.A N LYS 35.A O no hydrogen 3.009 N/A TYR 40.A N ILE 36.A O no hydrogen 3.407 N/A ALA 41.A N GLU 37.A O no hydrogen 3.183 N/A GLN 42.A N LYS 38.A O no hydrogen 2.995 N/A GLN 43.A N ALA 39.A O no hydrogen 3.022 N/A LEU 44.A N TYR 40.A O no hydrogen 3.017 N/A THR 45.A N ALA 41.A O no hydrogen 3.044 N/A THR 45.A OG1 ALA 41.A O no hydrogen 3.177 N/A THR 45.A OG1 SER 79.A OG no hydrogen 2.816 N/A ASP 46.A N GLN 42.A O no hydrogen 3.281 N/A TRP 47.A N GLN 43.A O no hydrogen 3.091 N/A ALA 48.A N LEU 44.A O no hydrogen 2.953 N/A LYS 49.A N THR 45.A O no hydrogen 2.970 N/A ARG 50.A N ASP 46.A O no hydrogen 2.901 N/A TRP 51.A N TRP 47.A O no hydrogen 3.027 N/A ARG 52.A N ALA 48.A O no hydrogen 3.033 N/A ARG 52.A NH1 ASP 76.A OD1 no hydrogen 3.275 N/A ARG 52.A NH2 ASP 76.A OD1 no hydrogen 3.042 N/A GLN 53.A N LYS 49.A O no hydrogen 3.400 N/A LEU 54.A N ARG 50.A O no hydrogen 3.372 N/A ILE 55.A N TRP 51.A O no hydrogen 2.995 N/A GLU 56.A N ARG 52.A O no hydrogen 2.992 N/A LYS 57.A N GLN 53.A O no hydrogen 3.145 N/A GLY 58.A N LEU 54.A O no hydrogen 2.981 N/A GLN 60.A NE2 TYR 61.A O no hydrogen 2.590 N/A SER 63.A N ASP 267.A OD2 no hydrogen 3.039 N/A SER 63.A OG ASP 267.A OD1 no hydrogen 3.180 N/A SER 63.A OG ASP 267.A OD2 no hydrogen 3.315 N/A GLU 65.A N GLY 62.A O no hydrogen 3.039 N/A ARG 66.A N GLY 62.A O no hydrogen 3.203 N/A ALA 67.A N SER 63.A O no hydrogen 2.964 N/A TRP 68.A N LEU 64.A O no hydrogen 3.089 N/A GLY 69.A N GLU 65.A O no hydrogen 2.898 N/A ALA 70.A N ARG 66.A O no hydrogen 2.959 N/A ALA 70.A N ALA 67.A O no hydrogen 3.213 N/A MET 71.A N TRP 68.A O no hydrogen 3.179 N/A MET 72.A N GLY 69.A O no hydrogen 3.114 N/A THR 73.A N ALA 70.A O no hydrogen 3.117 N/A THR 73.A OG1 ALA 70.A O no hydrogen 2.713 N/A GLU 74.A N ALA 70.A O no hydrogen 3.165 N/A ALA 75.A N MET 71.A O no hydrogen 3.222 N/A ASP 76.A N MET 72.A O no hydrogen 3.179 N/A LYS 77.A N THR 73.A O no hydrogen 2.887 N/A LYS 77.A NZ GLU 254.A OE2 no hydrogen 3.173 N/A VAL 78.A N GLU 74.A O no hydrogen 2.800 N/A SER 79.A N ALA 75.A O no hydrogen 2.979 N/A SER 79.A OG ALA 41.A O no hydrogen 3.077 N/A SER 79.A OG THR 45.A OG1 no hydrogen 2.816 N/A GLU 80.A N ASP 76.A O no hydrogen 3.062 N/A LEU 81.A N LYS 77.A O no hydrogen 3.123 N/A HIS 82.A N VAL 78.A O no hydrogen 3.286 N/A HIS 82.A ND1 GLU 37.A OE1 no hydrogen 2.707 N/A GLN 83.A N SER 79.A O no hydrogen 3.106 N/A GLU 84.A N GLU 80.A O no hydrogen 3.273 N/A GLU 84.A N LEU 81.A O no hydrogen 3.020 N/A VAL 85.A N LEU 81.A O no hydrogen 3.057 N/A LYS 86.A N HIS 82.A O no hydrogen 3.095 N/A LYS 86.A NZ GLN 83.A OE1 no hydrogen 3.332 N/A LYS 86.A NZ ASN 87.A OD1 no hydrogen 3.402 N/A ASN 87.A N GLN 83.A O no hydrogen 2.892 N/A SER 88.A N GLU 84.A O no hydrogen 2.801 N/A SER 88.A OG GLU 84.A O no hydrogen 3.055 N/A LEU 89.A N VAL 85.A O no hydrogen 2.898 N/A LEU 90.A N LYS 86.A O no hydrogen 3.150 N/A ASN 91.A N ASN 87.A O no hydrogen 2.949 N/A GLU 92.A N SER 88.A O no hydrogen 3.002 N/A ASP 93.A N SER 88.A O no hydrogen 3.129 N/A LEU 94.A N LEU 89.A O no hydrogen 2.775 N/A GLU 95.A N LEU 90.A O no hydrogen 3.356 N/A LYS 96.A N GLU 92.A O no hydrogen 2.939 N/A LYS 96.A NZ GLU 231.A OE2 no hydrogen 3.136 N/A LYS 96.A NZ ASP 235.A OD2 no hydrogen 2.758 N/A VAL 97.A N ASP 93.A O no hydrogen 3.379 N/A LYS 98.A N LEU 94.A O no hydrogen 3.118 N/A LYS 98.A NZ GLU 95.A OE1 no hydrogen 3.151 N/A ASN 99.A N GLU 95.A O no hydrogen 2.804 N/A TRP 100.A N LYS 96.A O no hydrogen 3.017 N/A GLN 101.A N VAL 97.A O no hydrogen 2.763 N/A GLN 101.A NE2 HIS 20.A O no hydrogen 3.436 N/A GLN 101.A NE2 ASN 24.A OD1 no hydrogen 2.821 N/A LYS 102.A N LYS 98.A O no hydrogen 2.898 N/A LYS 102.A NZ ASN 99.A OD1 no hydrogen 3.304 N/A ASP 103.A N ASN 99.A O no hydrogen 3.299 N/A ALA 104.A N TRP 100.A O no hydrogen 3.206 N/A ALA 104.A N GLN 101.A O no hydrogen 3.273 N/A TYR 105.A N GLN 101.A O no hydrogen 3.136 N/A TYR 105.A OH ILE 16.A O no hydrogen 3.189 N/A HIS 106.A N GLU 115.A OE2 no hydrogen 2.864 N/A HIS 106.A ND1 GLU 115.A OE1 no hydrogen 3.041 N/A LYS 107.A NZ GLY 112.A O no hydrogen 2.860 N/A GLN 108.A N GLY 112.A O no hydrogen 2.998 N/A GLY 111.A N GLN 108.A O no hydrogen 2.786 N/A LYS 114.A N HIS 106.A O no hydrogen 2.870 N/A THR 116.A OG1 ASP 17.A OD1 no hydrogen 3.389 N/A THR 116.A OG1 ASP 17.A OD2 no hydrogen 3.382 N/A LYS 117.A N PHE 113.A O no hydrogen 3.035 N/A GLU 118.A N LYS 114.A O no hydrogen 3.020 N/A ALA 119.A N GLU 115.A O no hydrogen 3.418 N/A GLU 120.A N THR 116.A O no hydrogen 3.230 N/A ASP 121.A N LYS 117.A O no hydrogen 3.010 N/A GLY 122.A N GLU 118.A O no hydrogen 2.967 N/A PHE 123.A N ALA 119.A O no hydrogen 3.086 N/A ARG 124.A N GLU 120.A O no hydrogen 3.103 N/A LYS 125.A N ASP 121.A O no hydrogen 3.043 N/A ALA 126.A N GLY 122.A O no hydrogen 3.112 N/A GLN 127.A N ARG 124.A O no hydrogen 3.312 N/A LYS 128.A N LYS 125.A O no hydrogen 3.056 N/A ALA 131.A N GLN 127.A O no hydrogen 3.009 N/A LYS 132.A N LYS 128.A O no hydrogen 3.129 N/A LYS 133.A N PRO 129.A O no hydrogen 3.056 N/A LYS 133.A N TRP 130.A O no hydrogen 3.210 N/A MET 134.A N TRP 130.A O no hydrogen 3.093 N/A LYS 135.A N ALA 131.A O no hydrogen 3.356 N/A GLU 136.A N LYS 132.A O no hydrogen 3.487 N/A LEU 137.A N LYS 133.A O no hydrogen 2.993 N/A GLU 138.A N MET 134.A O no hydrogen 2.893 N/A ALA 139.A N LYS 135.A O no hydrogen 2.822 N/A ALA 140.A N GLU 136.A O no hydrogen 2.849 N/A LYS 141.A N LEU 137.A O no hydrogen 3.078 N/A LYS 141.A NZ GLU 138.A OE1 no hydrogen 3.533 N/A LYS 142.A N GLU 138.A O no hydrogen 3.024 N/A ALA 143.A N ALA 139.A O no hydrogen 3.081 N/A TYR 144.A N ALA 140.A O no hydrogen 3.108 N/A HIS 145.A N LYS 141.A O no hydrogen 3.096 N/A HIS 145.A N LYS 142.A O no hydrogen 2.807 N/A LEU 146.A N LYS 142.A O no hydrogen 2.944 N/A ALA 147.A N ALA 143.A O no hydrogen 2.978 N/A CYS 148.A N TYR 144.A O no hydrogen 3.227 N/A CYS 148.A SG TYR 144.A O no hydrogen 3.290 N/A LYS 149.A N HIS 145.A O no hydrogen 3.212 N/A GLU 150.A N LEU 146.A O no hydrogen 3.039 N/A GLU 151.A N ALA 147.A O no hydrogen 3.372 N/A ARG 152.A N CYS 148.A O no hydrogen 3.009 N/A LEU 153.A N LYS 149.A O no hydrogen 3.344 N/A ALA 154.A N GLU 150.A O no hydrogen 2.928 N/A MET 155.A N GLU 151.A O no hydrogen 3.006 N/A MET 155.A N ARG 152.A O no hydrogen 3.271 N/A THR 156.A N ARG 152.A O no hydrogen 2.943 N/A THR 156.A OG1 ARG 152.A O no hydrogen 3.002 N/A GLU 158.A N ALA 154.A O no hydrogen 2.959 N/A MET 159.A N MET 155.A O no hydrogen 3.237 N/A SER 161.A OG SER 166.A O no hydrogen 3.063 N/A LYS 162.A NZ GLU 158.A OE2 no hydrogen 2.682 N/A GLU 164.A N SER 161.A O no hydrogen 2.944 N/A VAL 167.A N GLN 165.A O no hydrogen 2.562 N/A THR 168.A N GLN 171.A OE1 no hydrogen 3.345 N/A GLN 172.A N THR 168.A O no hydrogen 2.446 N/A GLN 172.A NE2 GLU 158.A OE2 no hydrogen 2.507 N/A LYS 173.A N PRO 169.A O no hydrogen 3.219 N/A VAL 176.A N GLN 172.A O no hydrogen 3.174 N/A ASP 177.A N LYS 173.A O no hydrogen 2.995 N/A LYS 178.A N LYS 174.A O no hydrogen 2.722 N/A VAL 179.A N LEU 175.A O no hydrogen 3.104 N/A ASP 180.A N VAL 176.A O no hydrogen 2.920 N/A LYS 181.A N ASP 177.A O no hydrogen 3.148 N/A LYS 181.A N LYS 178.A O no hydrogen 2.921 N/A CYS 182.A N LYS 178.A O no hydrogen 3.140 N/A CYS 182.A SG GLU 150.A O no hydrogen 3.897 N/A CYS 182.A SG LYS 178.A O no hydrogen 3.619 N/A ARG 183.A N VAL 179.A O no hydrogen 3.239 N/A ARG 183.A NH2 ASP 180.A OD1 no hydrogen 2.778 N/A ASP 185.A N LYS 181.A O no hydrogen 3.068 N/A VAL 186.A N CYS 182.A O no hydrogen 2.895 N/A GLN 187.A N ARG 183.A O no hydrogen 3.233 N/A LYS 188.A N GLN 184.A O no hydrogen 2.882 N/A THR 189.A N ASP 185.A O no hydrogen 3.068 N/A THR 189.A OG1 ASP 185.A O no hydrogen 3.249 N/A GLN 190.A N VAL 186.A O no hydrogen 2.977 N/A GLN 190.A N GLN 187.A O no hydrogen 3.250 N/A GLU 191.A N GLN 187.A O no hydrogen 3.042 N/A LYS 192.A N LYS 188.A O no hydrogen 3.345 N/A TYR 193.A N THR 189.A O no hydrogen 3.358 N/A GLU 194.A N GLN 190.A O no hydrogen 2.907 N/A LYS 195.A N GLU 191.A O no hydrogen 2.950 N/A LYS 195.A NZ GLU 191.A OE2 no hydrogen 3.266 N/A VAL 196.A N LYS 192.A O no hydrogen 2.973 N/A LEU 197.A N TYR 193.A O no hydrogen 3.137 N/A GLU 198.A N GLU 194.A O no hydrogen 3.208 N/A ASP 199.A N LYS 195.A O no hydrogen 3.206 N/A VAL 200.A N VAL 196.A O no hydrogen 2.906 N/A GLY 201.A N LEU 197.A O no hydrogen 3.053 N/A LYS 202.A N GLU 198.A O no hydrogen 2.970 N/A THR 203.A N ASP 199.A O no hydrogen 3.096 N/A THR 203.A N VAL 200.A O no hydrogen 3.324 N/A THR 203.A OG1 ASP 199.A O no hydrogen 3.039 N/A THR 203.A OG1 VAL 200.A O no hydrogen 3.221 N/A THR 204.A OG1 GLY 201.A O no hydrogen 3.027 N/A TYR 207.A N THR 203.A O no hydrogen 3.257 N/A TYR 207.A OH TRP 4.A O no hydrogen 2.642 N/A TYR 207.A OH GLN 127.A OE1 no hydrogen 3.043 N/A MET 208.A N THR 204.A O no hydrogen 2.924 N/A GLU 209.A N PRO 205.A O no hydrogen 2.730 N/A GLY 210.A N GLN 206.A O no hydrogen 3.086 N/A MET 211.A N TYR 207.A O no hydrogen 3.031 N/A GLU 212.A N MET 208.A O no hydrogen 2.817 N/A GLN 213.A N GLU 209.A O no hydrogen 3.426 N/A PHE 215.A N MET 211.A O no hydrogen 3.239 N/A GLU 216.A N GLU 212.A O no hydrogen 2.718 N/A GLN 217.A N GLN 213.A O no hydrogen 3.044 N/A CYS 218.A N VAL 214.A O no hydrogen 3.144 N/A CYS 218.A SG VAL 214.A O no hydrogen 3.333 N/A GLN 219.A N PHE 215.A O no hydrogen 2.757 N/A GLN 220.A N GLU 216.A O no hydrogen 2.845 N/A PHE 221.A N GLN 217.A O no hydrogen 3.061 N/A GLU 222.A N CYS 218.A O no hydrogen 3.004 N/A GLU 223.A N GLN 219.A O no hydrogen 2.943 N/A LYS 224.A N GLN 220.A O no hydrogen 3.205 N/A ARG 225.A N PHE 221.A O no hydrogen 3.394 N/A ARG 225.A NH2 GLU 222.A OE1 no hydrogen 2.574 N/A LEU 226.A N GLU 222.A O no hydrogen 3.138 N/A VAL 227.A N GLU 223.A O no hydrogen 2.902 N/A PHE 228.A N LYS 224.A O no hydrogen 3.095 N/A LEU 229.A N ARG 225.A O no hydrogen 2.861 N/A LYS 230.A N LEU 226.A O no hydrogen 3.003 N/A GLU 231.A N VAL 227.A O no hydrogen 3.051 N/A VAL 232.A N PHE 228.A O no hydrogen 2.869 N/A LEU 233.A N LEU 229.A O no hydrogen 2.967 N/A LEU 234.A N LYS 230.A O no hydrogen 3.301 N/A ASP 235.A N GLU 231.A O no hydrogen 3.182 N/A ILE 236.A N VAL 232.A O no hydrogen 3.142 N/A LYS 237.A N LEU 233.A O no hydrogen 3.118 N/A ARG 238.A N LEU 234.A O no hydrogen 3.153 N/A HIS 239.A N ASP 235.A O no hydrogen 3.173 N/A HIS 239.A ND1 ASP 93.A OD2 no hydrogen 2.700 N/A LEU 240.A N ILE 236.A O no hydrogen 2.876 N/A ASN 241.A N LYS 237.A O no hydrogen 3.023 N/A ASN 241.A N ARG 238.A O no hydrogen 3.364 N/A ASN 245.A N LEU 242.A O no hydrogen 3.151 N/A SER 247.A N ASN 245.A OD1 no hydrogen 2.671 N/A TYR 248.A N ASN 245.A O no hydrogen 3.098 N/A TYR 248.A N ASN 245.A OD1 no hydrogen 3.314 N/A MET 249.A N ASN 245.A O no hydrogen 3.379 N/A HIS 250.A N SER 246.A O no hydrogen 3.046 N/A VAL 251.A N SER 247.A O no hydrogen 3.018 N/A ARG 253.A N MET 249.A O no hydrogen 3.132 N/A GLU 254.A N HIS 250.A O no hydrogen 2.864 N/A LEU 255.A N VAL 251.A O no hydrogen 3.034 N/A GLU 256.A N TYR 252.A O no hydrogen 3.066 N/A GLN 257.A N ARG 253.A O no hydrogen 3.035 N/A ALA 258.A N GLU 254.A O no hydrogen 3.016 N/A ILE 259.A N LEU 255.A O no hydrogen 3.062 N/A ARG 260.A N GLU 256.A O no hydrogen 2.815 N/A ARG 260.A NE GLU 256.A OE2 no hydrogen 3.255 N/A GLY 261.A N ALA 258.A O no hydrogen 3.273 N/A ALA 262.A N ILE 259.A O no hydrogen 2.894 N/A ASP 263.A N SER 63.A OG no hydrogen 2.980 N/A GLN 265.A N ASP 263.A OD1 no hydrogen 3.051 N/A ASP 267.A N ASP 263.A O no hydrogen 3.350 N/A LEU 268.A N ALA 264.A O no hydrogen 2.965 N/A ARG 269.A N GLN 265.A O no hydrogen 2.905 N/A TRP 270.A N GLU 266.A O no hydrogen 3.099 N/A PHE 271.A N ASP 267.A O no hydrogen 3.077 N/A ARG 272.A N LEU 268.A O no hydrogen 2.956 N/A SER 273.A N ARG 269.A O no hydrogen 2.985 N/A THR 274.A N TRP 270.A O no hydrogen 2.867 N/A THR 274.A OG1 TRP 270.A O no hydrogen 3.049 N/A SER 275.A N PHE 271.A O no hydrogen 2.848 N/A GLY 276.A N ARG 272.A O no hydrogen 3.311 N/A GLY 278.A N ARG 272.A O no hydrogen 3.006 N/A MET 279.A N GLY 276.A O no hydrogen 2.868 N/A