Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1u2j_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 3.A NE1 ASP 5.A OD1 no hydrogen 2.624 N/A GLN 17.A N THR 15.A OG1 no hydrogen 3.005 N/A ILE 19.A N THR 15.A O no hydrogen 3.220 N/A ASP 21.A N GLN 17.A O no hydrogen 2.855 N/A LEU 22.A N ASP 18.A O no hydrogen 2.669 N/A LYS 23.A N ILE 19.A O no hydrogen 2.687 N/A LYS 23.A NZ GLU 107.A OE2 no hydrogen 3.166 N/A PHE 24.A N ILE 20.A O no hydrogen 3.156 N/A ALA 25.A N ASP 21.A O no hydrogen 2.814 N/A ILE 26.A N LEU 22.A O no hydrogen 2.803 N/A ALA 27.A N LYS 23.A O no hydrogen 2.857 N/A ASP 28.A N PHE 24.A O no hydrogen 3.211 N/A ASP 28.A N ALA 25.A O no hydrogen 3.255 N/A SER 29.A N ILE 26.A O no hydrogen 2.965 N/A SER 29.A OG ILE 26.A O no hydrogen 2.602 N/A SER 32.A N GLU 35.A OE1 no hydrogen 2.797 N/A SER 32.A OG GLU 35.A OE1 no hydrogen 3.180 N/A SER 34.A OG GLY 189.A O no hydrogen 3.299 N/A GLU 35.A N SER 32.A OG no hydrogen 3.292 N/A LEU 36.A N SER 32.A O no hydrogen 2.818 N/A VAL 37.A N VAL 33.A O no hydrogen 2.906 N/A SER 38.A N SER 34.A O no hydrogen 3.064 N/A SER 38.A OG SER 34.A O no hydrogen 2.604 N/A VAL 39.A N GLU 35.A O no hydrogen 3.223 N/A ALA 40.A N LEU 36.A O no hydrogen 3.383 N/A TRP 41.A N VAL 37.A O no hydrogen 2.814 N/A TRP 41.A NE1 ASP 146.A OD2 no hydrogen 2.957 N/A ALA 42.A N SER 38.A O no hydrogen 2.919 N/A SER 43.A N VAL 39.A O no hydrogen 3.147 N/A ALA 44.A N ALA 40.A O no hydrogen 3.093 N/A ALA 44.A N TRP 41.A O no hydrogen 3.307 N/A SER 45.A N TRP 41.A O no hydrogen 3.107 N/A SER 45.A OG TRP 41.A O no hydrogen 3.007 N/A THR 46.A OG1 SER 43.A O no hydrogen 3.406 N/A ARG 48.A N ARG 53.A O no hydrogen 3.075 N/A GLY 49.A N GLN 170.A O no hydrogen 2.893 N/A ASP 51.A N GLY 49.A O no hydrogen 2.967 N/A ARG 53.A NE ASP 5.A OD2 no hydrogen 2.899 N/A ARG 53.A NH1 MET 137.A O no hydrogen 2.733 N/A ARG 53.A NH2 ASP 5.A OD1 no hydrogen 3.467 N/A ARG 53.A NH2 ASP 5.A OD2 no hydrogen 3.175 N/A ARG 53.A NH2 MET 137.A O no hydrogen 2.950 N/A GLY 55.A N THR 46.A OG1 no hydrogen 2.683 N/A ASN 57.A N ASP 290.A OD2 no hydrogen 2.827 N/A ALA 59.A N ALA 56.A O no hydrogen 3.332 N/A ARG 60.A NE THR 133.A OG1 no hydrogen 2.660 N/A ARG 60.A NH2 PRO 6.A O no hydrogen 2.807 N/A ARG 60.A NH2 GLN 132.A O no hydrogen 2.298 N/A ALA 62.A N ALA 59.A O no hydrogen 3.059 N/A LEU 63.A N ARG 60.A O no hydrogen 2.793 N/A MET 64.A N GLN 130.A OE1 no hydrogen 2.855 N/A ARG 67.A N LEU 63.A O no hydrogen 2.876 N/A ARG 67.A NH1 ALA 62.A O no hydrogen 3.122 N/A ASP 68.A N PRO 65.A O no hydrogen 2.872 N/A TRP 69.A N GLN 66.A O no hydrogen 2.994 N/A ASN 72.A N TRP 69.A O no hydrogen 2.906 N/A ASN 72.A ND2 GLN 66.A O no hydrogen 2.985 N/A ALA 73.A N ASP 70.A O no hydrogen 3.108 N/A VAL 76.A N ASN 72.A O no hydrogen 2.982 N/A ARG 77.A N ALA 74.A O no hydrogen 3.151 N/A ALA 78.A N ALA 75.A O no hydrogen 3.206 N/A LEU 79.A N VAL 76.A O no hydrogen 3.172 N/A LEU 82.A N ALA 78.A O no hydrogen 3.242 N/A GLU 83.A N LEU 79.A O no hydrogen 2.695 N/A LYS 84.A N PRO 80.A O no hydrogen 2.930 N/A ILE 85.A N VAL 81.A O no hydrogen 3.011 N/A GLN 86.A N LEU 82.A O no hydrogen 2.781 N/A GLN 86.A NE2 TYR 12.A OH no hydrogen 3.560 N/A LYS 87.A N GLU 83.A O no hydrogen 2.992 N/A GLU 88.A N LYS 84.A O no hydrogen 3.176 N/A SER 89.A N ILE 85.A O no hydrogen 3.075 N/A GLY 90.A N GLN 86.A O no hydrogen 2.856 N/A LYS 91.A N SER 89.A OG no hydrogen 2.930 N/A SER 93.A OG ARG 125.A O no hydrogen 2.512 N/A LEU 94.A N ASP 127.A OD2 no hydrogen 2.853 N/A ALA 95.A N ASP 127.A OD1 no hydrogen 2.691 N/A ASP 96.A N SER 93.A OG no hydrogen 3.149 N/A ILE 97.A N SER 93.A O no hydrogen 3.075 N/A ILE 97.A N LEU 94.A O no hydrogen 3.039 N/A ILE 98.A N LEU 94.A O no hydrogen 2.775 N/A LEU 100.A N ASP 96.A O no hydrogen 3.028 N/A ALA 101.A N ILE 97.A O no hydrogen 2.993 N/A GLY 102.A N ILE 98.A O no hydrogen 3.473 N/A VAL 103.A N VAL 99.A O no hydrogen 3.025 N/A VAL 104.A N LEU 100.A O no hydrogen 2.875 N/A GLY 105.A N ALA 101.A O no hydrogen 3.011 N/A GLY 105.A N GLY 102.A O no hydrogen 3.082 N/A VAL 106.A N GLY 102.A O no hydrogen 2.951 N/A GLU 107.A N VAL 103.A O no hydrogen 3.236 N/A LYS 108.A N VAL 104.A O no hydrogen 3.119 N/A LYS 108.A NZ ALA 27.A O no hydrogen 3.464 N/A ALA 109.A N GLY 105.A O no hydrogen 2.939 N/A ALA 110.A N VAL 106.A O no hydrogen 2.853 N/A SER 111.A N GLU 107.A O no hydrogen 3.140 N/A SER 111.A OG GLU 107.A O no hydrogen 3.101 N/A SER 111.A OG LEU 115.A O no hydrogen 3.190 N/A ALA 112.A N ALA 109.A O no hydrogen 3.118 N/A ALA 113.A N ALA 109.A O no hydrogen 3.189 N/A LEU 115.A N ALA 110.A O no hydrogen 2.555 N/A VAL 119.A N GLU 107.A OE1 no hydrogen 2.658 N/A GLY 124.A N ASP 96.A OD1 no hydrogen 3.264 N/A GLY 124.A N ASP 96.A OD2 no hydrogen 2.417 N/A ARG 125.A N ASP 96.A OD1 no hydrogen 3.212 N/A ARG 125.A NH1 ASP 96.A OD1 no hydrogen 2.920 N/A ARG 125.A NH2 MET 287.A O no hydrogen 3.252 N/A VAL 126.A N ASN 57.A OD1 no hydrogen 2.899 N/A ALA 128.A N GLY 58.A O no hydrogen 2.865 N/A ARG 129.A N GLN 132.A OE1 no hydrogen 2.352 N/A ARG 129.A NH1 ASP 131.A OD1 no hydrogen 2.632 N/A GLN 130.A NE2 MET 64.A O no hydrogen 2.706 N/A GLN 130.A NE2 GLN 130.A O no hydrogen 3.049 N/A GLN 130.A NE2 THR 133.A O no hydrogen 3.014 N/A GLN 132.A N ARG 129.A O no hydrogen 2.972 N/A THR 133.A N GLN 130.A O no hydrogen 3.036 N/A THR 133.A OG1 ARG 129.A O no hydrogen 3.089 N/A MET 137.A N ASP 134.A OD1 no hydrogen 3.131 N/A PHE 138.A N ASP 134.A O no hydrogen 3.227 N/A PHE 138.A N ILE 135.A O no hydrogen 3.191 N/A GLU 139.A N ILE 135.A O no hydrogen 2.888 N/A LEU 141.A N PHE 138.A O no hydrogen 3.025 N/A GLU 142.A N GLU 139.A O no hydrogen 2.954 N/A ASP 146.A N TYR 151.A O no hydrogen 2.974 N/A PHE 148.A N ASP 146.A OD1 no hydrogen 3.095 N/A ARG 149.A N ASP 146.A O no hydrogen 2.805 N/A ARG 149.A NE ASP 146.A OD2 no hydrogen 2.742 N/A ARG 149.A NH1 ASN 72.A OD1 no hydrogen 2.964 N/A ARG 149.A NH2 ASP 146.A OD2 no hydrogen 2.714 N/A ASN 150.A ND2 ASN 197.A O no hydrogen 2.909 N/A ASN 150.A ND2 ASP 250.A OD1 no hydrogen 3.340 N/A ASN 150.A ND2 ASP 250.A OD2 no hydrogen 2.936 N/A TYR 151.A N ASP 146.A O no hydrogen 2.981 N/A ARG 152.A NE THR 160.A OG1 no hydrogen 2.750 N/A ARG 152.A NH1 ALA 153.A O no hydrogen 2.825 N/A ARG 152.A NH1 VAL 157.A O no hydrogen 3.425 N/A ARG 152.A NH2 VAL 157.A O no hydrogen 3.374 N/A ARG 152.A NH2 SER 158.A O no hydrogen 3.165 N/A ALA 153.A N ILE 144.A O no hydrogen 2.908 N/A VAL 157.A N ARG 154.A O no hydrogen 3.086 N/A THR 159.A N SER 162.A OG no hydrogen 3.187 N/A THR 159.A OG1 SER 162.A OG no hydrogen 2.993 N/A THR 160.A OG1 GLU 230.A OE1 no hydrogen 2.845 N/A THR 160.A OG1 GLU 230.A OE2 no hydrogen 3.241 N/A GLU 161.A N GLU 161.A OE1 no hydrogen 2.514 N/A SER 162.A N THR 159.A OG1 no hydrogen 3.224 N/A SER 162.A OG THR 159.A O no hydrogen 3.173 N/A SER 162.A OG THR 159.A OG1 no hydrogen 2.993 N/A LEU 163.A N THR 159.A O no hydrogen 2.914 N/A LEU 164.A N THR 160.A O no hydrogen 3.261 N/A LEU 164.A N GLU 161.A O no hydrogen 3.241 N/A ILE 165.A N GLU 161.A O no hydrogen 3.419 N/A ASP 166.A N SER 162.A O no hydrogen 2.946 N/A LYS 167.A N LEU 163.A O no hydrogen 2.977 N/A LYS 167.A NZ SER 45.A O no hydrogen 2.431 N/A ALA 168.A N LEU 164.A O no hydrogen 2.932 N/A GLN 169.A N ILE 165.A O no hydrogen 2.886 N/A GLN 170.A N ASP 166.A O no hydrogen 2.907 N/A LEU 171.A N LYS 167.A O no hydrogen 3.085 N/A THR 172.A N GLN 169.A O no hydrogen 2.546 N/A THR 172.A OG1 LEU 171.A O no hydrogen 2.415 N/A LEU 173.A N ALA 168.A O no hydrogen 2.860 N/A THR 174.A N GLU 177.A OE1 no hydrogen 2.903 N/A MET 178.A N THR 174.A O no hydrogen 2.850 N/A THR 179.A N ALA 175.A O no hydrogen 3.043 N/A THR 179.A OG1 ALA 175.A O no hydrogen 2.472 N/A ALA 180.A N PRO 176.A O no hydrogen 2.617 N/A LEU 181.A N GLU 177.A O no hydrogen 2.748 N/A VAL 182.A N MET 178.A O no hydrogen 2.682 N/A GLY 183.A N THR 179.A O no hydrogen 3.022 N/A GLY 184.A N ALA 180.A O no hydrogen 3.014 N/A MET 185.A N LEU 181.A O no hydrogen 2.915 N/A ARG 186.A N VAL 182.A O no hydrogen 2.990 N/A ARG 186.A NE ASP 250.A OD1 no hydrogen 2.417 N/A ARG 186.A NH1 GLY 147.A O no hydrogen 2.743 N/A ARG 186.A NH2 GLY 147.A O no hydrogen 2.786 N/A ARG 186.A NH2 ASP 250.A OD1 no hydrogen 2.759 N/A VAL 187.A N GLY 183.A O no hydrogen 3.279 N/A LEU 188.A N GLY 184.A O no hydrogen 2.911 N/A GLY 189.A N MET 185.A O no hydrogen 3.194 N/A GLY 189.A N ARG 186.A O no hydrogen 3.149 N/A ALA 190.A N MET 185.A O no hydrogen 3.046 N/A ASN 191.A ND2 SER 195.A O no hydrogen 3.007 N/A ASN 191.A ND2 ASN 197.A O no hydrogen 2.979 N/A PHE 192.A N ARG 149.A O no hydrogen 2.741 N/A ASN 197.A N SER 195.A OG no hydrogen 2.731 N/A GLY 198.A N THR 245.A O no hydrogen 2.760 N/A VAL 199.A N LYS 196.A O no hydrogen 2.763 N/A THR 201.A N VAL 199.A O no hydrogen 2.907 N/A THR 201.A OG1 ASP 210.A OD2 no hydrogen 2.711 N/A ASP 202.A N ASP 202.A OD1 no hydrogen 2.305 N/A ARG 203.A N THR 201.A OG1 no hydrogen 2.759 N/A ARG 203.A NE ASP 210.A OD2 no hydrogen 3.242 N/A ARG 203.A NH2 ASP 210.A OD2 no hydrogen 3.344 N/A GLY 205.A N VAL 187.A O no hydrogen 2.801 N/A VAL 206.A N ARG 203.A O no hydrogen 3.180 N/A LEU 207.A N ALA 109.A O no hydrogen 3.301 N/A SER 208.A N VAL 206.A O no hydrogen 2.683 N/A ASN 209.A ND2 TYR 266.A O no hydrogen 2.522 N/A ASP 210.A N SER 208.A OG no hydrogen 2.735 N/A PHE 212.A N ASN 209.A O no hydrogen 2.862 N/A VAL 213.A N ASN 209.A O no hydrogen 3.310 N/A ASN 214.A N ASP 210.A O no hydrogen 2.759 N/A ASN 214.A ND2 PHE 200.A O no hydrogen 2.830 N/A LEU 215.A N PHE 211.A O no hydrogen 2.792 N/A LEU 216.A N PHE 212.A O no hydrogen 2.969 N/A LEU 216.A N VAL 213.A O no hydrogen 3.081 N/A ASP 217.A N ASN 214.A O no hydrogen 3.236 N/A ARG 219.A N ASP 217.A OD1 no hydrogen 2.723 N/A ARG 219.A NE GLU 238.A OE2 no hydrogen 3.115 N/A ARG 219.A NH2 GLU 238.A OE2 no hydrogen 3.387 N/A TYR 220.A N ASP 217.A O no hydrogen 3.150 N/A GLU 221.A N ARG 235.A O no hydrogen 2.954 N/A LYS 223.A N GLU 233.A O no hydrogen 3.210 N/A THR 225.A N LEU 231.A O no hydrogen 3.054 N/A THR 225.A OG1 LEU 231.A O no hydrogen 3.167 N/A SER 228.A N ASP 226.A OD1 no hydrogen 2.818 N/A SER 228.A OG ASP 226.A OD1 no hydrogen 2.627 N/A LYS 229.A N ASP 226.A O no hydrogen 2.975 N/A PHE 232.A N ALA 246.A O no hydrogen 2.672 N/A GLU 233.A N LYS 223.A O no hydrogen 3.173 N/A GLY 234.A N PHE 244.A O no hydrogen 2.699 N/A ARG 235.A N GLU 221.A O no hydrogen 2.862 N/A ARG 235.A NE GLY 240.A O no hydrogen 3.350 N/A ASP 236.A N GLU 241.A O no hydrogen 2.645 N/A ARG 237.A N ARG 219.A O no hydrogen 2.897 N/A ARG 237.A NE MET 218.A O no hydrogen 2.915 N/A GLU 238.A N ASP 236.A OD1 no hydrogen 2.551 N/A THR 239.A N ASP 236.A OD1 no hydrogen 3.134 N/A THR 239.A OG1 GLU 241.A OE2 no hydrogen 2.317 N/A GLY 240.A N ASP 236.A O no hydrogen 2.839 N/A GLU 241.A N THR 239.A OG1 no hydrogen 2.893 N/A LYS 243.A N GLY 234.A O no hydrogen 2.912 N/A PHE 244.A N GLY 234.A O no hydrogen 3.318 N/A THR 245.A OG1 ASN 197.A OD1 no hydrogen 2.544 N/A ALA 246.A N PHE 232.A O no hydrogen 2.771 N/A SER 247.A N ASP 250.A OD2 no hydrogen 2.880 N/A SER 247.A OG ASN 150.A OD1 no hydrogen 2.540 N/A SER 247.A OG ASP 250.A OD2 no hydrogen 3.008 N/A ARG 248.A NE GLU 161.A OE1 no hydrogen 2.851 N/A ARG 248.A NE GLU 161.A OE2 no hydrogen 3.454 N/A ARG 248.A NH1 LYS 229.A O no hydrogen 2.854 N/A ARG 248.A NH2 GLU 161.A OE2 no hydrogen 2.934 N/A ASP 250.A N SER 247.A OG no hydrogen 3.272 N/A LEU 251.A N SER 247.A O no hydrogen 3.212 N/A VAL 252.A N ARG 248.A O no hydrogen 2.808 N/A GLY 254.A N LEU 251.A O no hydrogen 2.548 N/A SER 255.A N LEU 251.A O no hydrogen 3.130 N/A SER 255.A N VAL 252.A O no hydrogen 3.233 N/A ASN 256.A N VAL 252.A O no hydrogen 3.072 N/A ARG 260.A N ASN 256.A O no hydrogen 3.001 N/A ARG 260.A NH1 GLY 254.A O no hydrogen 2.960 N/A ALA 261.A N SER 257.A O no hydrogen 3.281 N/A VAL 262.A N VAL 258.A O no hydrogen 3.294 N/A ALA 263.A N LEU 259.A O no hydrogen 2.943 N/A GLU 264.A N ARG 260.A O no hydrogen 3.221 N/A VAL 265.A N VAL 262.A O no hydrogen 3.245 N/A TYR 266.A OH ASP 278.A OD1 no hydrogen 2.475 N/A ALA 267.A N ALA 263.A O no hydrogen 2.778 N/A SER 268.A N VAL 265.A O no hydrogen 3.332 N/A SER 268.A OG GLU 264.A O no hydrogen 3.079 N/A ALA 271.A N SER 268.A O no hydrogen 3.053 N/A LYS 274.A NZ ASP 278.A OD1 no hydrogen 3.238 N/A PHE 275.A N ALA 271.A O no hydrogen 2.846 N/A VAL 276.A N HIS 272.A O no hydrogen 2.857 N/A LYS 277.A N GLU 273.A O no hydrogen 3.267 N/A ASP 278.A N LYS 274.A O no hydrogen 3.051 N/A PHE 279.A N PHE 275.A O no hydrogen 2.737 N/A VAL 280.A N VAL 276.A O no hydrogen 2.844 N/A ALA 281.A N LYS 277.A O no hydrogen 2.765 N/A ALA 282.A N ASP 278.A O no hydrogen 3.032 N/A TRP 283.A N PHE 279.A O no hydrogen 2.544 N/A VAL 284.A N VAL 280.A O no hydrogen 2.769 N/A LYS 285.A N ALA 281.A O no hydrogen 3.125 N/A LYS 285.A NZ THR 172.A O no hydrogen 2.777 N/A LYS 285.A NZ GLU 177.A OE1 no hydrogen 2.856 N/A VAL 286.A N ALA 282.A O no hydrogen 3.165 N/A MET 287.A N TRP 283.A O no hydrogen 3.145 N/A ASN 288.A N VAL 284.A O no hydrogen 3.171 N/A ASN 288.A N LYS 285.A O no hydrogen 3.300 N/A LEU 289.A N VAL 286.A O no hydrogen 3.169 N/A ARG 291.A N ASN 288.A O no hydrogen 2.963 N/A ARG 291.A NH1 ALA 122.A O no hydrogen 2.768 N/A ARG 291.A NH1 PRO 123.A O no hydrogen 3.565 N/A ARG 291.A NH2 PRO 123.A O no hydrogen 3.063 N/A ARG 291.A NH2 ASP 293.A OD2 no hydrogen 3.279 N/A PHE 292.A N ASP 290.A O no hydrogen 2.735 N/A LEU 294.A N ARG 291.A O no hydrogen 3.123 N/A LEU 295.A N PHE 292.A O no hydrogen 2.945 N/A