Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mwd_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ ASP 121.A OD1 no hydrogen 3.118 N/A LYS 2.A NZ VAL 125.A O no hydrogen 2.647 N/A SER 8.A N THR 11.A OG1 no hydrogen 2.875 N/A ARG 9.A NH2 SER 32.A O no hydrogen 3.073 N/A HIS 10.A N SER 8.A OG no hydrogen 3.038 N/A THR 11.A N SER 8.A O no hydrogen 3.087 N/A THR 11.A OG1 SER 8.A O no hydrogen 3.301 N/A LYS 12.A NZ GLU 35.A OE1 no hydrogen 2.938 N/A LYS 12.A NZ PRO 36.A O no hydrogen 2.937 N/A ALA 13.A N SER 37.A O no hydrogen 2.738 N/A ILE 14.A N VAL 77.A O no hydrogen 2.910 N/A VAL 15.A N ALA 40.A O no hydrogen 3.041 N/A TRP 16.A N ILE 79.A O no hydrogen 2.900 N/A GLY 17.A N VAL 41.A O no hydrogen 2.984 N/A VAL 22.A N GLN 18.A O no hydrogen 2.988 N/A GLN 23.A N THR 19.A O no hydrogen 2.968 N/A GLN 23.A NE2 ASP 26.A OD1 no hydrogen 3.015 N/A GLN 23.A NE2 TYR 53.A O no hydrogen 2.913 N/A GLY 24.A N ARG 20.A O no hydrogen 3.020 N/A ASP 26.A N GLN 23.A O no hydrogen 2.974 N/A PHE 27.A N GLY 24.A O no hydrogen 3.019 N/A TYR 29.A N LEU 25.A O no hydrogen 2.741 N/A TYR 29.A OH THR 307.A OG1 no hydrogen 3.313 N/A VAL 30.A N ASP 26.A O no hydrogen 3.031 N/A CYS 31.A N PHE 27.A O no hydrogen 2.929 N/A CYS 31.A SG PHE 27.A O no hydrogen 3.265 N/A CYS 31.A SG TYR 158.A O no hydrogen 3.718 N/A SER 32.A N TYR 29.A O no hydrogen 2.924 N/A ARG 33.A N ASP 28.A O no hydrogen 3.192 N/A ARG 33.A NE CYS 140.A O no hydrogen 2.691 N/A ARG 33.A NH1 THR 11.A O no hydrogen 3.410 N/A ARG 33.A NH1 GLU 35.A O no hydrogen 2.782 N/A ARG 33.A NH2 SER 8.A O no hydrogen 3.191 N/A ARG 33.A NH2 THR 11.A O no hydrogen 2.747 N/A ARG 33.A NH2 CYS 140.A O no hydrogen 3.141 N/A SER 37.A N ASP 28.A OD2 no hydrogen 2.726 N/A SER 37.A OG ASP 28.A OD1 no hydrogen 3.340 N/A SER 37.A OG ASP 28.A OD2 no hydrogen 2.619 N/A ALA 39.A N ALA 13.A O no hydrogen 2.879 N/A TYR 42.A N PHE 64.A O no hydrogen 2.822 N/A HIS 48.A N VAL 63.A O no hydrogen 3.143 N/A HIS 48.A ND1 GLY 46.A O no hydrogen 2.898 N/A GLN 50.A N ILE 61.A O no hydrogen 2.974 N/A PHE 52.A N ILE 59.A O no hydrogen 2.874 N/A TYR 53.A N GLN 23.A OE1 no hydrogen 3.026 N/A TYR 53.A OH GLU 58.A OE2 no hydrogen 2.635 N/A TRP 54.A N LYS 57.A O no hydrogen 2.969 N/A ILE 59.A N PHE 52.A O no hydrogen 2.844 N/A ILE 61.A N GLN 50.A O no hydrogen 2.853 N/A VAL 63.A N HIS 48.A O no hydrogen 2.762 N/A LYS 65.A N ASP 47.A OD1 no hydrogen 2.952 N/A ASN 66.A ND2 ASP 68.A OD2 no hydrogen 3.474 N/A ASP 68.A N ASN 66.A O no hydrogen 3.213 N/A LYS 71.A N ASP 68.A O no hydrogen 3.012 N/A HIS 72.A N ALA 69.A O no hydrogen 3.045 N/A HIS 72.A ND1 GLU 74.A OE2 no hydrogen 3.016 N/A GLU 74.A N GLU 74.A OE1 no hydrogen 2.628 N/A VAL 75.A N HIS 72.A O no hydrogen 3.104 N/A ASP 76.A N LYS 12.A O no hydrogen 3.287 N/A LEU 78.A N THR 100.A O no hydrogen 2.959 N/A ILE 79.A N ILE 14.A O no hydrogen 2.837 N/A ASN 80.A N ALA 102.A O no hydrogen 2.817 N/A ASN 80.A ND2 SER 90.A OG no hydrogen 2.980 N/A ASN 80.A ND2 THR 91.A OG1 no hydrogen 3.079 N/A PHE 81.A N TRP 16.A O no hydrogen 2.866 N/A ALA 82.A N ASN 80.A OD1 no hydrogen 2.856 N/A SER 86.A N SER 83.A O no hydrogen 2.942 N/A SER 90.A N SER 86.A O no hydrogen 3.234 N/A SER 90.A OG SER 86.A O no hydrogen 2.756 N/A SER 90.A OG ALA 87.A O no hydrogen 3.364 N/A THR 91.A N ALA 87.A O no hydrogen 3.105 N/A THR 91.A OG1 ALA 87.A O no hydrogen 2.832 N/A THR 93.A N SER 90.A O no hydrogen 2.953 N/A THR 93.A OG1 SER 90.A O no hydrogen 2.668 N/A TYR 95.A N THR 93.A O no hydrogen 3.035 N/A GLN 97.A NE2 HIS 72.A O no hydrogen 2.974 N/A GLN 97.A NE2 VAL 75.A O no hydrogen 3.154 N/A ILE 98.A N TYR 95.A O no hydrogen 3.126 N/A ARG 99.A N ASP 76.A O no hydrogen 3.048 N/A ARG 99.A NH1 ALA 96.A O no hydrogen 3.011 N/A ARG 99.A NH2 LYS 123.A O no hydrogen 3.164 N/A THR 100.A N ASP 76.A O no hydrogen 3.341 N/A ILE 101.A N THR 126.A O no hydrogen 2.946 N/A ALA 102.A N LEU 78.A O no hydrogen 3.024 N/A ILE 103.A N ILE 128.A O no hydrogen 2.883 N/A ILE 104.A N ASN 80.A O no hydrogen 3.096 N/A LEU 112.A N PRO 109.A O no hydrogen 3.012 N/A THR 113.A N PRO 109.A O no hydrogen 3.115 N/A THR 113.A OG1 PRO 109.A O no hydrogen 3.386 N/A ARG 114.A N GLU 110.A O no hydrogen 2.943 N/A LEU 116.A N LEU 112.A O no hydrogen 3.065 N/A ILE 117.A N THR 113.A O no hydrogen 2.946 N/A LYS 118.A N ARG 114.A O no hydrogen 2.888 N/A LYS 119.A N LYS 115.A O no hydrogen 3.032 N/A LYS 119.A NZ ASN 94.A OD1 no hydrogen 2.749 N/A ALA 120.A N LEU 116.A O no hydrogen 2.838 N/A ASP 121.A N ILE 117.A O no hydrogen 2.820 N/A GLN 122.A N LYS 118.A O no hydrogen 3.094 N/A LYS 123.A N LYS 119.A O no hydrogen 2.854 N/A LYS 123.A N ALA 120.A O no hydrogen 3.183 N/A VAL 125.A N ALA 120.A O no hydrogen 3.029 N/A THR 126.A N ARG 99.A O no hydrogen 2.939 N/A ILE 128.A N ILE 101.A O no hydrogen 2.862 N/A ALA 131.A N ALA 105.A O no hydrogen 2.852 N/A THR 132.A OG1 ALA 191.A O no hydrogen 2.627 N/A GLY 134.A N THR 132.A OG1 no hydrogen 2.983 N/A GLY 135.A N THR 146.A OG1 no hydrogen 2.992 N/A ILE 136.A N GLY 189.A O no hydrogen 2.902 N/A LYS 137.A N PHE 141.A O no hydrogen 2.738 N/A LYS 137.A NZ PHE 7.A O no hydrogen 2.876 N/A CYS 140.A N LYS 137.A O no hydrogen 2.815 N/A CYS 140.A SG PRO 138.A O no hydrogen 3.876 N/A PHE 141.A N LYS 137.A O no hydrogen 3.045 N/A LYS 142.A NZ GLY 144.A O no hydrogen 3.002 N/A LYS 142.A NZ THR 146.A O no hydrogen 2.848 N/A ILE 143.A N GLY 135.A O no hydrogen 3.059 N/A THR 146.A N ILE 143.A O no hydrogen 2.998 N/A THR 146.A OG1 VAL 133.A O no hydrogen 2.857 N/A THR 146.A OG1 GLY 135.A O no hydrogen 3.340 N/A THR 146.A OG1 ILE 143.A O no hydrogen 2.796 N/A GLY 148.A N ASN 145.A O no hydrogen 3.231 N/A ASN 151.A ND2 GLY 147.A O no hydrogen 2.639 N/A ASN 151.A ND2 ASN 173.A OD1 no hydrogen 3.101 N/A LEU 153.A N LEU 149.A O no hydrogen 2.701 N/A ALA 154.A N ASP 150.A O no hydrogen 3.064 N/A SER 155.A N ASN 151.A O no hydrogen 3.065 N/A LYS 156.A N LEU 153.A O no hydrogen 3.070 N/A LEU 157.A N ILE 152.A O no hydrogen 2.969 N/A ARG 159.A NE GLU 302.A OE1 no hydrogen 3.031 N/A ARG 159.A NH1 ARG 159.A O no hydrogen 2.859 N/A ARG 159.A NH1 ASP 184.A O no hydrogen 3.139 N/A ARG 159.A NH2 ASP 184.A O no hydrogen 3.058 N/A ARG 159.A NH2 GLU 302.A OE2 no hydrogen 2.754 N/A GLY 161.A N VAL 186.A O no hydrogen 2.942 N/A SER 162.A N ASP 184.A OD1 no hydrogen 2.911 N/A SER 162.A OG ASP 184.A OD1 no hydrogen 3.479 N/A SER 162.A OG ASP 184.A OD2 no hydrogen 2.501 N/A VAL 163.A N GLY 185.A O no hydrogen 3.188 N/A TYR 165.A N GLU 188.A O no hydrogen 2.962 N/A TYR 165.A OH ASN 176.A OD1 no hydrogen 2.604 N/A VAL 166.A N VAL 217.A O no hydrogen 3.083 N/A SER 167.A N VAL 190.A O no hydrogen 3.123 N/A SER 167.A OG SER 169.A O no hydrogen 2.903 N/A ARG 168.A NH2 ILE 222.A O no hydrogen 3.459 N/A SER 172.A OG SER 169.A O no hydrogen 2.810 N/A ASN 173.A N GLY 170.A O no hydrogen 3.147 N/A ASN 176.A N SER 172.A O no hydrogen 2.871 N/A ASN 176.A ND2 ASN 173.A OD1 no hydrogen 3.163 N/A ASN 177.A N ASN 173.A O no hydrogen 3.065 N/A ASN 177.A ND2 GLU 174.A OE1 no hydrogen 3.217 N/A ILE 178.A N GLU 174.A O no hydrogen 2.808 N/A ILE 179.A N LEU 175.A O no hydrogen 2.862 N/A SER 180.A N ASN 176.A O no hydrogen 2.973 N/A SER 180.A OG ASN 176.A O no hydrogen 3.322 N/A SER 180.A OG ASN 177.A O no hydrogen 3.302 N/A ARG 181.A N ASN 177.A O no hydrogen 3.226 N/A ARG 181.A NE ASN 177.A OD1 no hydrogen 2.918 N/A THR 182.A N ILE 179.A O no hydrogen 3.309 N/A THR 182.A OG1 ILE 178.A O no hydrogen 2.713 N/A THR 182.A OG1 ILE 179.A O no hydrogen 3.473 N/A THR 183.A N ILE 179.A O no hydrogen 2.971 N/A THR 183.A OG1 ILE 179.A O no hydrogen 2.627 N/A GLY 185.A N THR 183.A OG1 no hydrogen 2.907 N/A TYR 187.A N VAL 163.A O no hydrogen 2.716 N/A GLY 189.A N ILE 136.A O no hydrogen 2.829 N/A VAL 190.A N TYR 165.A O no hydrogen 3.043 N/A ALA 191.A N GLY 134.A O no hydrogen 2.984 N/A ILE 192.A N SER 167.A O no hydrogen 2.894 N/A GLY 193.A N ARG 168.A O no hydrogen 3.034 N/A GLY 194.A N ALA 131.A O no hydrogen 3.382 N/A GLY 199.A N GLY 129.A O no hydrogen 2.745 N/A SER 200.A OG ILE 127.A O no hydrogen 2.649 N/A SER 200.A OG HIS 204.A NE2 no hydrogen 2.864 N/A THR 201.A N ASP 203.A OD2 no hydrogen 2.956 N/A THR 201.A OG1 GLU 226.A OE2 no hydrogen 3.476 N/A HIS 204.A N THR 201.A O no hydrogen 3.377 N/A HIS 204.A NE2 SER 200.A OG no hydrogen 2.864 N/A VAL 205.A N PHE 202.A O no hydrogen 2.960 N/A ARG 207.A N ASP 203.A O no hydrogen 3.310 N/A ARG 207.A NE HIS 204.A ND1 no hydrogen 3.221 N/A ARG 207.A NH1 THR 4.A O no hydrogen 3.072 N/A ARG 207.A NH1 GLU 188.A OE1 no hydrogen 3.137 N/A ARG 207.A NH2 GLU 188.A OE1 no hydrogen 3.494 N/A ARG 207.A NH2 GLU 188.A OE2 no hydrogen 3.302 N/A ARG 207.A NH2 HIS 204.A ND1 no hydrogen 2.982 N/A TYR 208.A N HIS 204.A O no hydrogen 2.874 N/A TYR 208.A OH TYR 165.A O no hydrogen 2.924 N/A GLN 209.A N VAL 205.A O no hydrogen 2.816 N/A GLN 209.A NE2 THR 240.A OG1 no hydrogen 3.186 N/A ASP 210.A N LEU 206.A O no hydrogen 2.972 N/A ASP 210.A N ARG 207.A O no hydrogen 2.978 N/A THR 211.A N TYR 208.A O no hydrogen 3.185 N/A THR 211.A OG1 ARG 207.A O no hydrogen 2.793 N/A VAL 214.A N THR 211.A O no hydrogen 2.866 N/A LYS 215.A N SER 162.A O no hydrogen 2.974 N/A VAL 217.A N ALA 164.A O no hydrogen 2.761 N/A VAL 218.A N VAL 244.A O no hydrogen 2.802 N/A LEU 219.A N VAL 166.A O no hydrogen 3.133 N/A GLY 220.A N TRP 246.A O no hydrogen 2.878 N/A GLU 221.A N GLU 227.A OE2 no hydrogen 2.917 N/A ILE 222.A N ILE 248.A O no hydrogen 3.032 N/A GLY 223.A N GLU 257.A O no hydrogen 2.748 N/A GLY 224.A N GLU 257.A OE1 no hydrogen 2.953 N/A GLU 227.A N GLU 227.A OE1 no hydrogen 2.585 N/A TYR 228.A N THR 225.A O no hydrogen 2.983 N/A TYR 228.A OH SER 256.A O no hydrogen 2.592 N/A LYS 229.A N GLU 226.A O no hydrogen 3.022 N/A LYS 229.A NZ GLU 226.A OE1 no hydrogen 2.643 N/A ILE 230.A N GLU 227.A O no hydrogen 3.022 N/A CYS 231.A SG ALA 265.A O no hydrogen 3.844 N/A ARG 232.A N TYR 228.A O no hydrogen 3.076 N/A GLY 233.A N LYS 229.A O no hydrogen 3.026 N/A ILE 234.A N ILE 230.A O no hydrogen 3.014 N/A LYS 235.A N CYS 231.A O no hydrogen 2.936 N/A GLU 236.A N ARG 232.A O no hydrogen 2.726 N/A GLY 237.A N ILE 234.A O no hydrogen 2.968 N/A ARG 238.A NH1 ASP 210.A OD1 no hydrogen 2.830 N/A ARG 238.A NH2 ASP 210.A OD1 no hydrogen 3.460 N/A ARG 238.A NH2 ASP 210.A OD2 no hydrogen 2.848 N/A LEU 239.A N GLY 233.A O no hydrogen 3.039 N/A THR 240.A N GLN 209.A OE1 no hydrogen 2.907 N/A LYS 241.A N GLN 209.A OE1 no hydrogen 3.363 N/A LYS 241.A NZ TYR 208.A O no hydrogen 2.915 N/A LYS 241.A NZ GLN 209.A O no hydrogen 3.163 N/A LYS 241.A NZ VAL 214.A O no hydrogen 2.860 N/A VAL 244.A N ILE 216.A O no hydrogen 2.750 N/A CYS 245.A N PHE 272.A O no hydrogen 3.077 N/A CYS 245.A SG VAL 218.A O no hydrogen 3.525 N/A TRP 246.A N VAL 218.A O no hydrogen 3.180 N/A CYS 247.A N ASN 263.A OD1 no hydrogen 2.785 N/A CYS 247.A SG GLU 227.A OE2 no hydrogen 3.820 N/A ILE 248.A N GLY 220.A O no hydrogen 3.075 N/A ALA 252.A N GLY 249.A O no hydrogen 3.323 N/A THR 253.A OG1 CYS 251.A O no hydrogen 3.299 N/A SER 256.A OG GLN 254.A OE1 no hydrogen 3.100 N/A GLU 257.A N GLN 254.A O no hydrogen 2.917 N/A THR 258.A N ALA 255.A O no hydrogen 3.447 N/A THR 258.A OG1 ALA 255.A O no hydrogen 3.260 N/A ALA 261.A N THR 258.A OG1 no hydrogen 3.076 N/A LYS 262.A N THR 258.A O no hydrogen 3.002 N/A LYS 262.A NZ GLU 221.A O no hydrogen 2.583 N/A LYS 262.A NZ GLY 223.A O no hydrogen 2.758 N/A LYS 262.A NZ GLY 224.A O no hydrogen 2.897 N/A LYS 262.A NZ GLU 227.A OE1 no hydrogen 3.033 N/A ASN 263.A N ALA 259.A O no hydrogen 2.711 N/A ASN 263.A ND2 CYS 247.A O no hydrogen 3.332 N/A GLN 264.A N VAL 260.A O no hydrogen 3.001 N/A ALA 265.A N ALA 261.A O no hydrogen 2.978 N/A LEU 266.A N LYS 262.A O no hydrogen 2.941 N/A LYS 267.A N ASN 263.A O no hydrogen 3.108 N/A GLU 268.A N GLN 264.A O no hydrogen 3.068 N/A ALA 269.A N ALA 265.A O no hydrogen 3.174 N/A ALA 269.A N LEU 266.A O no hydrogen 3.006 N/A GLY 270.A N LYS 267.A O no hydrogen 2.873 N/A VAL 271.A N LEU 266.A O no hydrogen 3.013 N/A PHE 272.A N ILE 243.A O no hydrogen 2.892 N/A GLU 279.A N SER 276.A O no hydrogen 2.915 N/A LEU 280.A N PHE 277.A O no hydrogen 2.864 N/A ILE 283.A N GLU 279.A O no hydrogen 3.108 N/A ILE 284.A N LEU 280.A O no hydrogen 2.997 N/A GLN 285.A N GLY 281.A O no hydrogen 2.848 N/A GLN 285.A NE2 GLU 289.A OE2 no hydrogen 2.911 N/A SER 286.A N GLU 282.A O no hydrogen 2.865 N/A VAL 287.A N ILE 283.A O no hydrogen 2.907 N/A TYR 288.A N ILE 284.A O no hydrogen 2.938 N/A GLU 289.A N GLN 285.A O no hydrogen 2.864 N/A ASP 290.A N SER 286.A O no hydrogen 3.243 N/A LEU 291.A N VAL 287.A O no hydrogen 3.146 N/A VAL 292.A N TYR 288.A O no hydrogen 2.917 N/A ALA 293.A N GLU 289.A O no hydrogen 2.948 N/A ASN 294.A N ASP 290.A O no hydrogen 3.118 N/A GLY 295.A N VAL 292.A O no hydrogen 3.071 N/A ILE 297.A N LEU 291.A O no hydrogen 3.095 N/A THR 307.A OG1 TYR 29.A OH no hydrogen 3.313 N/A