Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1w61_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 4.A OG PHE 1.A O no hydrogen 3.185 N/A PHE 5.A N MET 336.A O no hydrogen 3.029 N/A THR 6.A N SER 22.A O no hydrogen 3.023 N/A THR 6.A OG1 THR 21.A OG1 no hydrogen 2.791 N/A THR 6.A OG1 SER 22.A OG no hydrogen 2.571 N/A CYS 7.A N ASN 334.A O no hydrogen 2.821 N/A ILE 8.A N ILE 19.A O no hydrogen 2.807 N/A ASP 9.A N GLY 332.A O no hydrogen 2.883 N/A MET 10.A N ALA 17.A O no hydrogen 2.966 N/A HIS 11.A N PHE 329.A O no hydrogen 2.964 N/A THR 12.A N GLU 15.A O no hydrogen 2.788 N/A THR 12.A OG1 HIS 91.A O no hydrogen 2.782 N/A GLY 14.A N HIS 11.A ND1 no hydrogen 2.942 N/A GLU 15.A N THR 12.A O no hydrogen 3.187 N/A ALA 17.A N MET 10.A O no hydrogen 2.885 N/A ARG 18.A N PHE 61.A O no hydrogen 2.927 N/A ARG 18.A NE ASP 9.A OD1 no hydrogen 2.828 N/A ARG 18.A NH1 ILE 50.A O no hydrogen 2.986 N/A ARG 18.A NH1 ARG 55.A O no hydrogen 2.874 N/A ARG 18.A NH2 ASP 9.A OD2 no hydrogen 3.214 N/A ARG 18.A NH2 ARG 55.A O no hydrogen 3.462 N/A ILE 19.A N ILE 8.A O no hydrogen 2.926 N/A VAL 20.A N ALA 63.A O no hydrogen 2.780 N/A THR 21.A N THR 6.A O no hydrogen 2.836 N/A THR 21.A OG1 THR 6.A O no hydrogen 3.164 N/A THR 21.A OG1 THR 6.A OG1 no hydrogen 2.791 N/A SER 22.A N THR 6.A O no hydrogen 3.474 N/A SER 22.A OG THR 6.A OG1 no hydrogen 2.571 N/A SER 30.A N GLU 34.A OE2 no hydrogen 2.885 N/A SER 30.A OG GLU 34.A OE1 no hydrogen 3.546 N/A SER 30.A OG GLU 34.A OE2 no hydrogen 3.372 N/A GLU 34.A N ASN 31.A OD1 no hydrogen 2.902 N/A LYS 35.A N ASN 31.A O no hydrogen 3.146 N/A LYS 35.A NZ ILE 27.A O no hydrogen 3.480 N/A LYS 36.A N MET 32.A O no hydrogen 2.813 N/A LYS 36.A NZ ASN 87.A OD1 no hydrogen 2.626 N/A ALA 37.A N ALA 33.A O no hydrogen 3.053 N/A TYR 38.A N GLU 34.A O no hydrogen 2.825 N/A LEU 39.A N LYS 35.A O no hydrogen 3.129 N/A GLN 40.A N LYS 36.A O no hydrogen 2.981 N/A GLU 41.A N ALA 37.A O no hydrogen 2.815 N/A ASN 42.A N TYR 38.A O no hydrogen 2.862 N/A ASN 42.A ND2 TYR 38.A O no hydrogen 3.320 N/A MET 43.A N LEU 39.A O no hydrogen 2.832 N/A LEU 46.A N MET 43.A O no hydrogen 3.173 N/A ARG 47.A NE ASP 44.A OD2 no hydrogen 3.018 N/A ARG 47.A NH1 ASP 81.A O no hydrogen 2.994 N/A ARG 47.A NH2 ASP 44.A OD1 no hydrogen 2.948 N/A ARG 48.A N ASP 44.A O no hydrogen 3.251 N/A ARG 48.A NH1 ASP 44.A OD1 no hydrogen 3.200 N/A GLY 49.A N TYR 45.A O no hydrogen 2.889 N/A ILE 50.A N LEU 46.A O no hydrogen 2.953 N/A ILE 50.A N ARG 47.A O no hydrogen 3.237 N/A MET 51.A N ARG 47.A O no hydrogen 2.800 N/A LEU 52.A N ARG 48.A O no hydrogen 2.980 N/A ARG 55.A NE LEU 337.A O no hydrogen 2.913 N/A ARG 55.A NH1 PHE 344.A O no hydrogen 2.913 N/A ARG 55.A NH2 LEU 337.A O no hydrogen 3.143 N/A ARG 55.A NH2 ASP 342.A OD2 no hydrogen 2.760 N/A GLY 56.A N LEU 52.A O no hydrogen 2.835 N/A HIS 57.A N MET 51.A O no hydrogen 2.887 N/A ASP 59.A N HIS 57.A ND1 no hydrogen 3.155 N/A MET 60.A N HIS 57.A O no hydrogen 3.069 N/A GLY 62.A N MET 80.A O no hydrogen 2.920 N/A ALA 63.A N ARG 18.A O no hydrogen 2.900 N/A PHE 64.A N VAL 78.A O no hydrogen 2.694 N/A LEU 65.A N VAL 20.A O no hydrogen 3.083 N/A PHE 66.A N GLY 76.A O no hydrogen 2.807 N/A ILE 69.A N ASP 120.A OD2 no hydrogen 2.802 N/A GLU 70.A N ASP 120.A OD2 no hydrogen 2.928 N/A ALA 73.A N GLU 70.A O no hydrogen 3.270 N/A ASP 74.A N VAL 118.A O no hydrogen 2.781 N/A LEU 75.A N VAL 118.A O no hydrogen 3.349 N/A GLY 76.A N PHE 66.A O no hydrogen 2.792 N/A ILE 77.A N ASP 120.A O no hydrogen 3.013 N/A VAL 78.A N PHE 64.A O no hydrogen 2.892 N/A MET 80.A N GLY 62.A O no hydrogen 2.853 N/A ASP 81.A N GLY 84.A O no hydrogen 2.997 N/A THR 82.A N GLN 253.A OE1 no hydrogen 2.901 N/A THR 82.A OG1 GLN 253.A OE1 no hydrogen 2.600 N/A GLY 83.A N ASP 81.A OD2 no hydrogen 2.940 N/A GLY 84.A N ASP 81.A OD2 no hydrogen 2.726 N/A TYR 85.A OH ASP 44.A OD2 no hydrogen 2.564 N/A MET 88.A N ASN 177.A OD1 no hydrogen 3.340 N/A CYS 89.A SG HIS 91.A ND1 no hydrogen 3.044 N/A HIS 91.A NE2 ALA 16.A O no hydrogen 2.699 N/A SER 93.A N CYS 89.A O no hydrogen 2.972 N/A SER 93.A OG CYS 89.A O no hydrogen 2.726 N/A ILE 94.A N GLY 90.A O no hydrogen 2.891 N/A ALA 95.A N HIS 91.A O no hydrogen 3.039 N/A ALA 96.A N ASN 92.A O no hydrogen 2.853 N/A VAL 97.A N SER 93.A O no hydrogen 2.955 N/A THR 98.A N ILE 94.A O no hydrogen 3.167 N/A THR 98.A OG1 ILE 94.A O no hydrogen 2.891 N/A ALA 99.A N ALA 95.A O no hydrogen 2.908 N/A ALA 100.A N ALA 96.A O no hydrogen 2.890 N/A VAL 101.A N VAL 97.A O no hydrogen 3.430 N/A GLU 102.A N THR 98.A O no hydrogen 2.886 N/A THR 103.A N ALA 99.A O no hydrogen 2.829 N/A THR 103.A OG1 ALA 99.A O no hydrogen 2.677 N/A GLY 104.A N VAL 101.A O no hydrogen 3.203 N/A VAL 106.A N ALA 100.A O no hydrogen 3.101 N/A ALA 112.A N PRO 109.A O no hydrogen 2.873 N/A VAL 115.A N ALA 130.A O no hydrogen 2.852 N/A VAL 117.A N GLY 128.A O no hydrogen 2.794 N/A VAL 118.A N ASP 74.A OD2 no hydrogen 2.817 N/A LEU 119.A N VAL 126.A O no hydrogen 2.754 N/A ASP 120.A N LEU 75.A O no hydrogen 2.782 N/A THR 121.A N GLY 124.A O no hydrogen 3.325 N/A THR 121.A OG1 GLY 124.A O no hydrogen 2.639 N/A ALA 123.A N THR 121.A OG1 no hydrogen 3.231 N/A GLY 124.A N THR 121.A O no hydrogen 2.933 N/A VAL 126.A N LEU 119.A O no hydrogen 2.874 N/A ARG 127.A N ILE 146.A O no hydrogen 3.228 N/A GLY 128.A N VAL 117.A O no hydrogen 2.821 N/A THR 129.A N SER 144.A O no hydrogen 2.791 N/A ALA 130.A N VAL 115.A O no hydrogen 2.945 N/A HIS 131.A N ASN 142.A O no hydrogen 2.944 N/A HIS 131.A NE2 SER 144.A OG no hydrogen 2.918 N/A LEU 132.A N THR 113.A O no hydrogen 2.902 N/A GLN 133.A N GLU 139.A O no hydrogen 2.675 N/A THR 136.A N GLN 133.A O no hydrogen 3.221 N/A THR 136.A OG1 GLN 133.A O no hydrogen 2.696 N/A THR 136.A OG1 GLU 139.A O no hydrogen 3.473 N/A VAL 140.A N GLU 102.A OE2 no hydrogen 3.056 N/A SER 141.A N HIS 131.A O no hydrogen 2.801 N/A ASN 142.A N HIS 131.A O no hydrogen 3.456 N/A ALA 143.A N GLY 326.A O no hydrogen 2.894 N/A SER 144.A N THR 129.A O no hydrogen 2.891 N/A SER 144.A OG HIS 131.A NE2 no hydrogen 2.918 N/A SER 144.A OG THR 325.A OG1 no hydrogen 2.538 N/A ILE 145.A N ILE 324.A O no hydrogen 2.796 N/A ILE 146.A N ARG 127.A O no hydrogen 2.831 N/A ASN 147.A N ALA 322.A O no hydrogen 2.867 N/A ASN 147.A ND2 GLY 175.A O no hydrogen 2.631 N/A ASN 147.A ND2 SER 264.A OG no hydrogen 2.998 N/A VAL 148.A N ASN 147.A OD1 no hydrogen 2.772 N/A SER 150.A N VAL 320.A O no hydrogen 3.086 N/A SER 150.A OG VAL 148.A O no hydrogen 3.424 N/A PHE 151.A N PHE 174.A O no hydrogen 2.961 N/A TYR 153.A N ILE 172.A O no hydrogen 2.821 N/A GLN 154.A N ILE 172.A O no hydrogen 3.121 N/A ASP 156.A N ASP 171.A OD1 no hydrogen 3.133 N/A VAL 157.A N VAL 170.A O no hydrogen 2.771 N/A VAL 159.A N VAL 168.A O no hydrogen 2.728 N/A LEU 161.A N GLY 166.A O no hydrogen 2.916 N/A TYR 165.A N PRO 162.A O no hydrogen 2.916 N/A GLY 166.A N PRO 162.A O no hydrogen 3.159 N/A VAL 168.A N VAL 159.A O no hydrogen 2.904 N/A ARG 169.A N GLN 186.A OE1 no hydrogen 3.240 N/A VAL 170.A N VAL 157.A O no hydrogen 2.925 N/A ASP 171.A N ILE 181.A O no hydrogen 3.096 N/A ILE 172.A N GLN 154.A O no hydrogen 2.706 N/A ALA 173.A N PHE 179.A O no hydrogen 3.048 N/A PHE 174.A N PHE 151.A O no hydrogen 2.748 N/A GLY 175.A N ASN 177.A O no hydrogen 2.941 N/A ASN 177.A ND2 MET 88.A O no hydrogen 2.793 N/A ASN 177.A ND2 THR 261.A OG1 no hydrogen 3.048 N/A PHE 179.A N ALA 173.A O no hydrogen 2.826 N/A ALA 180.A N CYS 229.A O no hydrogen 3.010 N/A ILE 181.A N ASP 171.A O no hydrogen 2.723 N/A VAL 182.A N GLU 231.A O no hydrogen 2.943 N/A ALA 184.A N TYR 233.A O no hydrogen 2.746 N/A GLN 186.A N PRO 183.A O no hydrogen 3.046 N/A LEU 187.A N ALA 184.A O no hydrogen 2.887 N/A GLY 188.A N GLU 185.A O no hydrogen 3.241 N/A SER 192.A OG ASP 190.A OD1 no hydrogen 3.438 N/A SER 192.A OG GLN 194.A OE1 no hydrogen 2.736 N/A SER 192.A OG ASN 195.A OD1 no hydrogen 3.508 N/A GLN 194.A N GLN 194.A OE1 no hydrogen 2.389 N/A ASN 195.A N SER 192.A O no hydrogen 3.037 N/A ASN 195.A N SER 192.A OG no hydrogen 3.319 N/A LEU 196.A N VAL 193.A O no hydrogen 3.241 N/A LEU 199.A N ASN 195.A O no hydrogen 2.811 N/A GLN 200.A N LEU 196.A O no hydrogen 2.865 N/A GLU 201.A N SER 197.A O no hydrogen 3.070 N/A ALA 202.A N ARG 198.A O no hydrogen 2.691 N/A GLY 203.A N LEU 199.A O no hydrogen 2.856 N/A GLU 204.A N GLN 200.A O no hydrogen 2.976 N/A LEU 205.A N GLU 201.A O no hydrogen 3.007 N/A LEU 206.A N ALA 202.A O no hydrogen 2.997 N/A ARG 207.A N GLY 203.A O no hydrogen 3.045 N/A ARG 207.A NH1 GLY 250.A O no hydrogen 3.022 N/A THR 208.A N GLU 204.A O no hydrogen 3.007 N/A THR 208.A OG1 GLU 204.A O no hydrogen 3.115 N/A THR 208.A OG1 GLU 204.A OE1 no hydrogen 3.481 N/A GLU 209.A N LEU 205.A O no hydrogen 2.975 N/A ILE 210.A N LEU 206.A O no hydrogen 2.922 N/A ASN 211.A N ARG 207.A O no hydrogen 2.992 N/A ASN 211.A ND2 VAL 227.A O no hydrogen 2.742 N/A ARG 212.A N THR 208.A O no hydrogen 3.153 N/A ARG 212.A N GLU 209.A O no hydrogen 3.157 N/A ARG 212.A NE GLU 209.A OE1 no hydrogen 3.237 N/A ARG 212.A NH2 GLU 209.A OE2 no hydrogen 3.283 N/A SER 213.A N GLU 209.A O no hydrogen 3.081 N/A SER 213.A OG GLU 209.A O no hydrogen 2.789 N/A SER 213.A OG ILE 210.A O no hydrogen 3.512 N/A VAL 214.A N ILE 210.A O no hydrogen 2.807 N/A LYS 215.A NZ ARG 212.A O no hydrogen 2.754 N/A GLN 217.A N TYR 153.A OH no hydrogen 3.020 N/A GLN 217.A NE2 HIS 218.A O no hydrogen 3.068 N/A GLN 217.A NE2 PRO 222.A O no hydrogen 2.993 N/A HIS 218.A N ILE 224.A O no hydrogen 2.918 N/A GLN 220.A N HIS 218.A ND1 no hydrogen 2.944 N/A LEU 221.A N HIS 218.A ND1 no hydrogen 3.200 N/A HIS 223.A NE2 ASN 87.A OD1 no hydrogen 3.098 N/A ILE 224.A N LEU 221.A O no hydrogen 3.165 N/A THR 226.A OG1 ASP 228.A OD1 no hydrogen 2.826 N/A VAL 227.A N ASN 211.A OD1 no hydrogen 2.831 N/A ASP 228.A N PHE 178.A O no hydrogen 3.206 N/A CYS 229.A N PHE 178.A O no hydrogen 3.377 N/A VAL 230.A N ILE 248.A O no hydrogen 2.939 N/A GLU 231.A N ALA 180.A O no hydrogen 2.870 N/A ILE 232.A N VAL 246.A O no hydrogen 2.822 N/A TYR 233.A N VAL 182.A O no hydrogen 2.978 N/A GLY 234.A N LYS 244.A O no hydrogen 2.972 N/A THR 237.A N GLU 285.A OE1 no hydrogen 2.753 N/A ASN 238.A N GLU 285.A OE1 no hydrogen 2.943 N/A GLU 240.A N ASN 238.A OD1 no hydrogen 2.850 N/A ALA 241.A N ASN 238.A O no hydrogen 2.907 N/A ASN 242.A N VAL 283.A O no hydrogen 2.755 N/A LYS 244.A N GLY 234.A O no hydrogen 2.908 N/A LYS 244.A NZ THR 237.A OG1 no hydrogen 2.912 N/A ASN 245.A N GLU 285.A O no hydrogen 2.714 N/A ASN 245.A ND2 PRO 258.A O no hydrogen 2.988 N/A ASN 245.A ND2 GLU 285.A O no hydrogen 3.462 N/A VAL 246.A N ILE 232.A O no hydrogen 2.928 N/A ILE 248.A N VAL 230.A O no hydrogen 2.858 N/A PHE 249.A N GLN 253.A O no hydrogen 3.040 N/A ASN 251.A N THR 82.A OG1 no hydrogen 3.092 N/A ARG 252.A NH1 GLN 352.A O no hydrogen 3.192 N/A ARG 252.A NH2 GLN 352.A O no hydrogen 2.729 N/A GLN 253.A N PHE 249.A O no hydrogen 2.837 N/A GLN 253.A NE2 MET 60.A O no hydrogen 2.918 N/A ALA 254.A N ASP 59.A OD1 no hydrogen 3.178 N/A ASP 255.A N VAL 247.A O no hydrogen 2.927 N/A ARG 256.A N GLU 15.A OE1 no hydrogen 2.826 N/A ARG 256.A NH1 ALA 254.A O no hydrogen 2.980 N/A SER 257.A N ASP 255.A OD1 no hydrogen 2.840 N/A SER 257.A OG ASP 255.A OD1 no hydrogen 2.856 N/A SER 257.A OG ASP 255.A OD2 no hydrogen 2.971 N/A CYS 259.A N SER 257.A OG no hydrogen 3.027 N/A THR 263.A N CYS 259.A O no hydrogen 2.793 N/A THR 263.A OG1 CYS 259.A O no hydrogen 2.669 N/A SER 264.A N GLY 260.A O no hydrogen 2.968 N/A SER 264.A OG GLY 260.A O no hydrogen 2.951 N/A ALA 265.A N THR 261.A O no hydrogen 2.911 N/A LYS 266.A N GLY 262.A O no hydrogen 2.948 N/A MET 267.A N THR 263.A O no hydrogen 2.888 N/A ALA 268.A N SER 264.A O no hydrogen 2.956 N/A THR 269.A N ALA 265.A O no hydrogen 3.024 N/A THR 269.A OG1 ALA 265.A O no hydrogen 2.944 N/A LEU 270.A N LYS 266.A O no hydrogen 2.865 N/A TYR 271.A N MET 267.A O no hydrogen 2.862 N/A TYR 271.A OH GLU 299.A OE2 no hydrogen 2.344 N/A ALA 272.A N ALA 268.A O no hydrogen 2.999 N/A LYS 273.A N THR 269.A O no hydrogen 3.110 N/A LYS 273.A NZ ASP 171.A OD2 no hydrogen 2.740 N/A GLY 274.A N TYR 271.A O no hydrogen 3.109 N/A GLN 275.A N LEU 270.A O no hydrogen 2.808 N/A ARG 277.A N GLU 280.A OE2 no hydrogen 2.929 N/A GLY 279.A N VAL 296.A O no hydrogen 2.823 N/A GLU 280.A N ARG 277.A O no hydrogen 3.066 N/A PHE 282.A N GLY 294.A O no hydrogen 2.764 N/A VAL 283.A N ASN 242.A OD1 no hydrogen 2.788 N/A TYR 284.A N PHE 292.A O no hydrogen 3.059 N/A TYR 284.A OH GLU 231.A OE2 no hydrogen 2.497 N/A GLU 285.A N TYR 243.A O no hydrogen 2.837 N/A SER 286.A N SER 290.A O no hydrogen 2.825 N/A SER 286.A OG ARG 256.A O no hydrogen 2.798 N/A LEU 288.A N SER 286.A OG no hydrogen 3.051 N/A GLY 289.A N SER 286.A O no hydrogen 2.879 N/A SER 290.A N SER 286.A OG no hydrogen 3.202 N/A SER 290.A OG GLU 13.A O no hydrogen 2.782 N/A PHE 292.A N TYR 284.A O no hydrogen 3.054 N/A GLN 293.A N THR 325.A O no hydrogen 3.161 N/A GLY 294.A N PHE 282.A O no hydrogen 2.774 N/A ARG 295.A N GLU 323.A O no hydrogen 3.013 N/A ARG 295.A NE GLU 323.A OE1 no hydrogen 2.875 N/A ARG 295.A NH2 GLU 323.A OE1 no hydrogen 3.190 N/A ARG 295.A NH2 GLU 323.A OE2 no hydrogen 3.021 N/A LEU 297.A N THR 321.A O no hydrogen 2.715 N/A GLU 300.A N VAL 319.A O no hydrogen 2.905 N/A ARG 301.A NH1 GLY 316.A O no hydrogen 2.822 N/A ARG 301.A NH2 GLU 314.A OE1 no hydrogen 3.299 N/A ILE 302.A N MET 317.A O no hydrogen 2.938 N/A GLY 304.A N GLU 315.A O no hydrogen 3.303 N/A VAL 305.A N ILE 302.A O no hydrogen 3.140 N/A VAL 307.A N THR 310.A OG1 no hydrogen 3.012 N/A VAL 309.A N TYR 153.A O no hydrogen 2.746 N/A THR 310.A N VAL 307.A O no hydrogen 2.948 N/A THR 310.A OG1 VAL 307.A O no hydrogen 3.165 N/A GLU 314.A N LYS 311.A O no hydrogen 2.976 N/A MET 317.A N VAL 305.A O no hydrogen 2.783 N/A VAL 319.A N GLU 300.A O no hydrogen 2.798 N/A VAL 320.A N SER 150.A O no hydrogen 2.863 N/A THR 321.A N GLY 298.A O no hydrogen 2.728 N/A GLU 323.A N ARG 295.A O no hydrogen 2.844 N/A ILE 324.A N ILE 145.A O no hydrogen 2.885 N/A THR 325.A N GLN 293.A O no hydrogen 2.841 N/A THR 325.A OG1 SER 144.A OG no hydrogen 2.538 N/A GLY 326.A N ALA 143.A O no hydrogen 3.019 N/A LYS 327.A N GLU 13.A OE2 no hydrogen 3.075 N/A LYS 327.A NZ SER 141.A O no hydrogen 2.829 N/A PHE 329.A N HIS 11.A O no hydrogen 2.912 N/A MET 331.A N ASP 9.A O no hydrogen 2.756 N/A GLY 332.A N ASP 9.A O no hydrogen 3.087 N/A ASN 334.A N CYS 7.A O no hydrogen 2.929 N/A MET 336.A N PHE 5.A O no hydrogen 2.850 N/A PHE 338.A N LYS 3.A O no hydrogen 2.866 N/A THR 341.A N ASP 339.A OD1 no hydrogen 2.979 N/A THR 341.A OG1 ASP 339.A OD1 no hydrogen 2.814 N/A ASP 342.A N ASP 339.A O no hydrogen 2.883 N/A PHE 344.A N ASP 342.A OD1 no hydrogen 2.895 N/A LYS 345.A N ASP 342.A O no hydrogen 3.139 N/A LYS 345.A NZ PRO 340.A O no hydrogen 2.995 N/A GLY 347.A N PHE 344.A O no hydrogen 3.118 N/A PHE 348.A N GLU 53.A O no hydrogen 2.768 N/A THR 349.A OG1 ASP 58.A OD1 no hydrogen 2.734 N/A THR 349.A OG1 ASP 58.A OD2 no hydrogen 3.476 N/A LYS 351.A N THR 349.A OG1 no hydrogen 3.007 N/A LYS 351.A NZ ASN 251.A O no hydrogen 3.062 N/A LYS 351.A NZ ARG 252.A O no hydrogen 2.747 N/A GLN 352.A N GLN 352.A OE1 no hydrogen 2.406 N/A