Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5d85_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 2.A N ASP 6.A OD2 no hydrogen 3.110 N/A LEU 5.A N SER 3.A OG no hydrogen 3.103 N/A ASP 6.A N SER 3.A O no hydrogen 3.204 N/A SER 7.A N LEU 4.A O no hydrogen 2.694 N/A SER 7.A OG LEU 4.A O no hydrogen 2.831 N/A VAL 8.A N LEU 5.A O no hydrogen 3.396 N/A GLY 9.A N ASN 33.A OD1 no hydrogen 2.810 N/A GLN 10.A N GLU 160.A OE2 no hydrogen 2.878 N/A THR 11.A OG1 GLU 30.A OE2 no hydrogen 2.748 N/A VAL 14.A N ALA 27.A O no hydrogen 3.185 N/A GLN 15.A NE2 GLU 24.A OE2 no hydrogen 3.200 N/A LEU 16.A N VAL 25.A O no hydrogen 2.954 N/A GLN 18.A N GLU 257.A OE2 no hydrogen 2.722 N/A LEU 19.A N GLU 257.A OE2 no hydrogen 2.880 N/A PHE 20.A N LEU 16.A O no hydrogen 3.193 N/A LYS 22.A NZ GLU 281.A OE2.A no hydrogen 2.895 N/A HIS 23.A NE2 ILE 279.A O no hydrogen 3.043 N/A GLU 24.A N ALA 283.A O no hydrogen 2.958 N/A PHE 26.A N ILE 285.A O no hydrogen 2.729 N/A ALA 27.A N VAL 14.A O no hydrogen 2.968 N/A LYS 28.A N THR 287.A O no hydrogen 2.954 N/A LYS 28.A NZ THR 11.A O no hydrogen 2.715 N/A LYS 28.A NZ GLU 160.A OE1 no hydrogen 2.747 N/A LEU 29.A N PRO 12.A O no hydrogen 2.866 N/A GLU 30.A N LYS 28.A O no hydrogen 2.982 N/A MET 32.A N LEU 29.A O no hydrogen 3.030 N/A ASN 33.A N GLU 30.A O no hydrogen 3.273 N/A ASN 33.A ND2 GLU 30.A O no hydrogen 2.956 N/A ASN 33.A ND2 GLU 30.A OE1 no hydrogen 3.465 N/A ASN 33.A ND2 GLU 30.A OE2 no hydrogen 3.513 N/A ASN 33.A ND2 SER 37.A O no hydrogen 3.641 N/A GLY 35.A N ASP 40.A OD2 no hydrogen 2.618 N/A GLY 36.A N ASN 33.A O no hydrogen 2.992 N/A MET 38.A N PRO 290.A O no hydrogen 3.143 N/A LYS 39.A N SER 37.A OG no hydrogen 3.180 N/A LYS 39.A NZ GLN 143.A OE1 no hydrogen 2.899 N/A ASP 40.A N SER 37.A O no hydrogen 3.355 N/A ARG 41.A N MET 38.A O no hydrogen 3.099 N/A ARG 41.A NE GLU 30.A OE1 no hydrogen 2.833 N/A ARG 41.A NH1 GLU 160.A OE2 no hydrogen 2.952 N/A ARG 41.A NH2 GLU 30.A OE2 no hydrogen 2.808 N/A ARG 41.A NH2 GLU 160.A OE1 no hydrogen 3.009 N/A ALA 43.A N LYS 39.A O no hydrogen 3.130 N/A LYS 44.A N ASP 40.A O no hydrogen 3.107 N/A LYS 44.A NZ GLU 48.A OE1 no hydrogen 3.040 N/A TYR 45.A N ARG 41.A O no hydrogen 3.051 N/A ILE 46.A N PRO 42.A O no hydrogen 2.889 N/A ILE 47.A N ALA 43.A O no hydrogen 3.075 N/A GLU 48.A N LYS 44.A O no hydrogen 2.910 N/A HIS 49.A N TYR 45.A O no hydrogen 3.179 N/A GLY 50.A N ILE 46.A O no hydrogen 2.965 N/A ILE 51.A N ILE 47.A O no hydrogen 3.026 N/A LYS 52.A N GLU 48.A O no hydrogen 2.960 N/A HIS 53.A N HIS 49.A O no hydrogen 2.969 N/A HIS 53.A ND1 HIS 49.A O no hydrogen 3.006 N/A GLY 54.A N ILE 51.A O no hydrogen 3.323 N/A LEU 55.A N GLY 50.A O no hydrogen 2.863 N/A ILE 56.A N GLY 50.A O no hydrogen 3.124 N/A THR 57.A N THR 60.A OG1 no hydrogen 2.947 N/A GLU 58.A N GLU 58.A OE2 no hydrogen 2.854 N/A ASN 59.A N THR 57.A OG1 no hydrogen 3.126 N/A THR 60.A N THR 57.A O no hydrogen 3.077 N/A THR 60.A OG1 THR 57.A O no hydrogen 3.498 N/A THR 60.A OG1 ASP 137.A OD1 no hydrogen 3.306 N/A HIS 61.A N ASP 137.A O no hydrogen 2.798 N/A HIS 61.A NE2 THR 86.A OG1 no hydrogen 2.726 N/A LEU 62.A N LYS 84.A O no hydrogen 3.055 N/A ILE 63.A N TYR 139.A O no hydrogen 2.988 N/A GLU 64.A N THR 86.A O no hydrogen 3.224 N/A SER 65.A N GLU 64.A OE1 no hydrogen 2.778 N/A THR 66.A N VAL 88.A O no hydrogen 3.066 N/A GLY 68.A N THR 66.A OG1 no hydrogen 2.909 N/A ASN 69.A ND2 ASP 291.A OD2 no hydrogen 2.999 N/A GLY 71.A N THR 66.A OG1 no hydrogen 3.104 N/A ILE 72.A N GLY 68.A O no hydrogen 2.981 N/A ALA 73.A N ASN 69.A O no hydrogen 3.092 N/A LEU 74.A N LEU 70.A O no hydrogen 2.837 N/A ALA 75.A N GLY 71.A O no hydrogen 2.916 N/A MET 76.A N ILE 72.A O no hydrogen 3.050 N/A ILE 77.A N ALA 73.A O no hydrogen 3.108 N/A ALA 78.A N LEU 74.A O no hydrogen 2.832 N/A LYS 79.A N ALA 75.A O no hydrogen 3.004 N/A LYS 79.A NZ TYR 104.A O no hydrogen 3.291 N/A ILE 80.A N MET 76.A O no hydrogen 3.206 N/A LYS 81.A N ILE 77.A O no hydrogen 2.895 N/A GLY 82.A N LYS 79.A O no hydrogen 3.335 N/A LEU 83.A N ALA 78.A O no hydrogen 2.898 N/A THR 86.A N LEU 62.A O no hydrogen 2.958 N/A THR 86.A OG1 HIS 61.A NE2 no hydrogen 2.726 N/A CYS 87.A N ASN 107.A O no hydrogen 2.930 N/A VAL 88.A N GLU 64.A O no hydrogen 2.762 N/A VAL 89.A N GLU 109.A O no hydrogen 2.914 N/A LYS 92.A N ASP 90.A OD1 no hydrogen 2.863 N/A LYS 92.A NZ GLY 118.A O no hydrogen 2.853 N/A LYS 92.A NZ ASN 215.A OD1 no hydrogen 3.093 N/A LYS 92.A NZ ARG 216.A O no hydrogen 2.805 N/A ILE 93.A N ASP 90.A O no hydrogen 3.153 N/A SER 94.A OG ARG 295.A O no hydrogen 2.734 N/A ASN 97.A N SER 94.A OG no hydrogen 3.175 N/A LEU 98.A N SER 94.A O no hydrogen 2.863 N/A LYS 99.A N PRO 95.A O no hydrogen 3.068 N/A ILE 100.A N THR 96.A O no hydrogen 3.030 N/A ILE 101.A N ASN 97.A O no hydrogen 3.151 N/A LYS 102.A N LEU 98.A O no hydrogen 3.350 N/A SER 103.A N LYS 99.A O no hydrogen 3.033 N/A SER 103.A OG LYS 99.A O no hydrogen 3.067 N/A TYR 104.A N ILE 100.A O no hydrogen 3.088 N/A TYR 104.A N ILE 101.A O no hydrogen 3.203 N/A GLY 105.A N LYS 102.A O no hydrogen 2.991 N/A ALA 106.A N ILE 101.A O no hydrogen 3.485 N/A ASN 107.A N LEU 85.A O no hydrogen 2.930 N/A ASN 107.A ND2 LEU 85.A O no hydrogen 3.358 N/A GLU 109.A N CYS 87.A O no hydrogen 2.821 N/A VAL 111.A N VAL 89.A O no hydrogen 3.041 N/A ASP 115.A N GLY 119.A O no hydrogen 2.784 N/A HIS 117.A N ASP 115.A OD1 no hydrogen 2.796 N/A GLY 118.A N ASP 115.A O no hydrogen 3.171 N/A GLY 119.A N ASP 115.A OD1 no hydrogen 3.041 N/A THR 123.A OG1 GLU 113.A O no hydrogen 2.594 N/A ARG 124.A N TYR 120.A O no hydrogen 2.932 N/A ARG 124.A NE ASP 90.A OD2 no hydrogen 2.828 N/A ARG 124.A NH1 SER 65.A OG no hydrogen 3.031 N/A ARG 124.A NH2 ASP 90.A OD2 no hydrogen 3.043 N/A ILE 125.A N LEU 121.A O no hydrogen 2.931 N/A ALA 126.A N MET 122.A O no hydrogen 3.144 N/A LYS 127.A N THR 123.A O no hydrogen 3.023 N/A LYS 127.A NZ GLU 130.A OE1 no hydrogen 3.169 N/A VAL 128.A N ARG 124.A O no hydrogen 2.910 N/A GLN 129.A N ILE 125.A O no hydrogen 3.001 N/A GLU 130.A N ALA 126.A O no hydrogen 2.960 N/A LEU 131.A N LYS 127.A O no hydrogen 2.982 N/A LEU 132.A N VAL 128.A O no hydrogen 2.932 N/A ALA 133.A N GLN 129.A O no hydrogen 3.007 N/A ALA 133.A N GLU 130.A O no hydrogen 3.000 N/A THR 134.A N LEU 131.A O no hydrogen 3.125 N/A THR 134.A OG1 GLU 130.A O no hydrogen 3.373 N/A THR 134.A OG1 LEU 131.A O no hydrogen 3.350 N/A ILE 135.A N LEU 131.A O no hydrogen 2.972 N/A TYR 139.A N HIS 61.A O no hydrogen 3.010 N/A TRP 140.A NE1 GLU 64.A OE1 no hydrogen 3.021 N/A ILE 141.A N ILE 63.A O no hydrogen 2.949 N/A GLN 143.A N GLU 64.A OE2 no hydrogen 2.901 N/A GLN 143.A NE2 SER 65.A O no hydrogen 3.114 N/A TYR 144.A OH SER 177.A OG no hydrogen 3.306 N/A ALA 145.A N ASN 142.A O no hydrogen 3.100 N/A ASN 146.A ND2 TYR 139.A OH no hydrogen 3.527 N/A ASN 146.A ND2 ILE 141.A O no hydrogen 3.147 N/A LEU 148.A N ASN 146.A OD1 no hydrogen 3.150 N/A ASN 149.A N ASN 146.A O no hydrogen 3.013 N/A ASN 149.A ND2 GLN 143.A O no hydrogen 2.968 N/A ASN 149.A ND2 THR 178.A OG1 no hydrogen 3.012 N/A TRP 150.A NE1 GLU 147.A OE1 no hydrogen 2.932 N/A GLN 151.A N GLU 147.A O no hydrogen 3.067 N/A SER 152.A N LEU 148.A O no hydrogen 2.987 N/A SER 152.A N ASN 149.A O no hydrogen 3.166 N/A SER 152.A OG ASN 149.A O no hydrogen 2.766 N/A HIS 153.A N TRP 150.A O no hydrogen 3.110 N/A TYR 154.A N TRP 150.A O no hydrogen 3.041 N/A TYR 154.A OH GLU 191.A OE2 no hydrogen 2.482 N/A HIS 155.A N GLN 151.A O no hydrogen 3.190 N/A HIS 155.A ND1 GLN 151.A O no hydrogen 3.106 N/A GLY 156.A N HIS 153.A O no hydrogen 3.282 N/A GLY 158.A N HIS 153.A O no hydrogen 2.942 N/A THR 159.A OG1 TYR 154.A O no hydrogen 2.818 N/A GLU 160.A N GLY 156.A O no hydrogen 3.156 N/A ILE 161.A N ALA 157.A O no hydrogen 2.824 N/A VAL 162.A N GLY 158.A O no hydrogen 3.371 N/A GLU 163.A N THR 159.A O no hydrogen 3.065 N/A THR 164.A N ILE 161.A O no hydrogen 3.068 N/A THR 164.A OG1 GLU 160.A O no hydrogen 2.925 N/A ILE 165.A N ILE 161.A O no hydrogen 2.936 N/A LYS 166.A NZ THR 164.A O no hydrogen 3.094 N/A GLN 167.A NE2 GLU 24.A OE1 no hydrogen 3.565 N/A GLN 167.A NE2 THR 284.A OG1 no hydrogen 2.796 N/A ILE 169.A N HIS 193.A ND1 no hydrogen 3.223 N/A ASP 170.A N THR 284.A O no hydrogen 2.890 N/A TYR 171.A N THR 284.A O no hydrogen 3.208 N/A PHE 172.A N GLN 197.A O no hydrogen 2.907 N/A VAL 173.A N VAL 286.A O no hydrogen 2.989 N/A ALA 174.A N VAL 199.A O no hydrogen 3.159 N/A SER 177.A OG TYR 144.A OH no hydrogen 3.306 N/A SER 177.A OG GLY 222.A O no hydrogen 3.235 N/A THR 179.A OG1 THR 178.A O no hydrogen 2.566 N/A GLY 180.A N THR 178.A OG1 no hydrogen 2.993 N/A SER 181.A OG HIS 153.A NE2 no hydrogen 3.377 N/A MET 183.A N THR 179.A O no hydrogen 2.889 N/A GLY 184.A N GLY 180.A O no hydrogen 3.005 N/A MET 185.A N SER 181.A O no hydrogen 2.915 N/A SER 186.A N ILE 182.A O no hydrogen 3.057 N/A SER 186.A OG ILE 182.A O no hydrogen 2.753 N/A SER 186.A OG MET 183.A O no hydrogen 3.319 N/A ARG 187.A N MET 183.A O no hydrogen 3.088 N/A ARG 187.A NE GLU 234.A OE1 no hydrogen 2.761 N/A ARG 187.A NH2 GLU 234.A OE1 no hydrogen 3.487 N/A ARG 187.A NH2 GLU 234.A OE2 no hydrogen 2.829 N/A LYS 188.A N GLY 184.A O no hydrogen 3.305 N/A LYS 188.A NZ GLU 191.A OE1 no hydrogen 3.391 N/A ILE 189.A N MET 185.A O no hydrogen 2.908 N/A LYS 190.A N SER 186.A O no hydrogen 2.913 N/A GLU 191.A N LYS 188.A O no hydrogen 3.194 N/A VAL 192.A N ILE 189.A O no hydrogen 3.213 N/A HIS 193.A N ILE 189.A O no hydrogen 2.806 N/A ALA 196.A N HIS 193.A O no hydrogen 3.010 N/A GLN 197.A N ASP 170.A O no hydrogen 2.985 N/A GLN 197.A NE2 ASN 195.A O no hydrogen 3.464 N/A ILE 198.A N ASN 236.A OD1 no hydrogen 2.852 N/A VAL 199.A N PHE 172.A O no hydrogen 2.906 N/A ALA 200.A N GLN 237.A O no hydrogen 2.893 N/A VAL 201.A N ALA 174.A O no hydrogen 2.872 N/A ASP 202.A N ILE 239.A O no hydrogen 2.941 N/A ALA 203.A N ASP 202.A OD1 no hydrogen 2.834 N/A LYS 204.A N VAL 241.A O no hydrogen 3.029 N/A GLY 205.A N ASP 211.A OD2 no hydrogen 3.131 N/A SER 206.A N ALA 203.A O no hydrogen 3.149 N/A SER 206.A OG ASP 202.A OD1 no hydrogen 3.176 N/A SER 206.A OG ASP 202.A OD2 no hydrogen 2.706 N/A SER 206.A OG ALA 223.A O no hydrogen 3.453 N/A VAL 207.A N ALA 223.A O no hydrogen 3.057 N/A ILE 208.A N SER 206.A OG no hydrogen 3.325 N/A GLY 210.A N VAL 207.A O no hydrogen 2.929 N/A LYS 212.A NZ PRO 213.A O no hydrogen 2.785 N/A ILE 214.A N GLY 205.A O no hydrogen 3.437 N/A ASN 215.A ND2 GLU 217.A OE2 no hydrogen 3.480 N/A GLU 217.A N ASP 243.A OD2 no hydrogen 2.933 N/A LEU 218.A N ASP 243.A OD1 no hydrogen 2.956 N/A GLY 222.A N VAL 176.A O no hydrogen 2.877 N/A ALA 223.A N SER 206.A OG no hydrogen 3.157 N/A ARG 225.A NH1 SER 224.A O no hydrogen 3.156 N/A GLU 228.A N TYR 144.A O no hydrogen 3.095 N/A GLU 228.A N GLU 228.A OE1 no hydrogen 2.784 N/A ILE 229.A N TYR 144.A O no hydrogen 3.274 N/A ASN 231.A ND2 GLU 234.A OE2 no hydrogen 2.779 N/A ARG 232.A NH1.B ARG 232.A O no hydrogen 3.103 N/A GLU 234.A N ASN 231.A O no hydrogen 3.066 N/A ILE 235.A N ARG 232.A O no hydrogen 3.200 N/A ASN 236.A N ILE 198.A O no hydrogen 2.827 N/A GLN 237.A N ILE 198.A O no hydrogen 3.296 N/A ILE 239.A N ALA 200.A O no hydrogen 2.930 N/A VAL 241.A N ASP 202.A O no hydrogen 3.056 N/A ASP 242.A N GLN 245.A OE1 no hydrogen 2.916 N/A GLN 245.A N ASP 242.A OD1 no hydrogen 2.741 N/A SER 246.A N ASP 242.A O no hydrogen 2.953 N/A SER 246.A OG ASP 242.A O no hydrogen 3.292 N/A SER 246.A OG SER 267.A OG no hydrogen 2.610 N/A ALA 247.A N ASP 243.A O no hydrogen 3.098 N/A LEU 248.A N TYR 244.A O no hydrogen 3.000 N/A GLY 249.A N GLN 245.A O no hydrogen 3.097 N/A CYS 250.A N SER 246.A O no hydrogen 3.059 N/A CYS 250.A SG SER 246.A O no hydrogen 3.578 N/A CYS 250.A SG ALA 261.A O no hydrogen 3.729 N/A CYS 250.A SG GLY 262.A O no hydrogen 3.145 N/A CYS 250.A SG GLY 263.A O no hydrogen 3.990 N/A ARG 251.A N ALA 247.A O no hydrogen 3.158 N/A ARG 251.A NE VAL 300.A O no hydrogen 2.973 N/A ARG 251.A NH1 ASP 303.A OD1 no hydrogen 3.081 N/A ARG 251.A NH2 VAL 300.A O no hydrogen 3.185 N/A ARG 251.A NH2 ASP 303.A OD1 no hydrogen 2.815 N/A LYS 252.A N LEU 248.A O no hydrogen 2.936 N/A LYS 252.A NZ GLU 273.A OE2 no hydrogen 2.855 N/A LEU 253.A N GLY 249.A O no hydrogen 3.062 N/A ILE 254.A N CYS 250.A O no hydrogen 3.190 N/A ASP 255.A N.A ARG 251.A O no hydrogen 3.243 N/A ASP 255.A N.B ARG 251.A O no hydrogen 3.241 N/A TYR 256.A N LYS 252.A O no hydrogen 2.847 N/A GLU 257.A N LEU 253.A O no hydrogen 2.859 N/A GLY 258.A N ILE 254.A O no hydrogen 3.042 N/A GLY 262.A N ASP 291.A O no hydrogen 2.863 N/A THR 265.A N GLY 262.A O no hydrogen 3.114 N/A GLY 266.A N GLY 262.A O no hydrogen 3.372 N/A SER 267.A N GLY 263.A O no hydrogen 3.110 N/A SER 267.A OG SER 246.A OG no hydrogen 2.610 N/A SER 267.A OG GLY 263.A O no hydrogen 3.292 N/A ILE 268.A N SER 264.A O no hydrogen 3.099 N/A ILE 269.A N THR 265.A O no hydrogen 3.058 N/A ALA 270.A N GLY 266.A O no hydrogen 3.026 N/A ALA 271.A N SER 267.A O no hydrogen 2.984 N/A ILE 272.A N ILE 268.A O no hydrogen 2.848 N/A GLU 273.A N ILE 269.A O no hydrogen 2.905 N/A GLN 274.A N ALA 270.A O no hydrogen 3.266 N/A LEU 275.A N ALA 271.A O no hydrogen 2.864 N/A ILE 276.A N ILE 272.A O no hydrogen 2.993 N/A THR 277.A OG1 GLN 274.A O no hydrogen 3.193 N/A SER 278.A N LEU 275.A O no hydrogen 2.919 N/A ILE 279.A N ILE 276.A O no hydrogen 2.999 N/A GLY 282.A N LYS 22.A O no hydrogen 2.888 N/A ALA 283.A N GLU 280.A O no hydrogen 3.268 N/A THR 284.A N ASP 170.A OD2 no hydrogen 2.837 N/A ILE 285.A N GLU 24.A O no hydrogen 2.889 N/A VAL 286.A N TYR 171.A O no hydrogen 3.015 N/A THR 287.A N PHE 26.A O no hydrogen 2.807 N/A THR 287.A OG1 VAL 173.A O no hydrogen 2.736 N/A LEU 289.A N LYS 28.A O no hydrogen 2.974 N/A ARG 292.A NH1.B TYR 31.A O no hydrogen 3.177 N/A GLY 293.A N PHE 260.A O no hydrogen 2.998 N/A ARG 295.A N ARG 292.A O.A no hydrogen 3.503 N/A ARG 295.A N ARG 292.A O.B no hydrogen 3.461 N/A ARG 295.A NH1 ASN 97.A OD1 no hydrogen 2.966 N/A ARG 295.A NH2 GLY 35.A O no hydrogen 3.445 N/A TYR 296.A N GLY 293.A O no hydrogen 2.961 N/A TYR 296.A OH ASP 291.A OD2 no hydrogen 2.572 N/A LEU 299.A N TYR 296.A O no hydrogen 3.112 N/A TYR 301.A N TYR 296.A O no hydrogen 3.063 N/A TYR 301.A OH ALA 261.A O no hydrogen 2.752 N/A SER 302.A N LEU 299.A O no hydrogen 2.938 N/A THR 304.A OG1 SER 302.A OG no hydrogen 3.421 N/A TRP 305.A N SER 302.A OG no hydrogen 3.156 N/A LEU 306.A N SER 302.A O no hydrogen 2.901 N/A GLU 307.A N ASP 303.A O no hydrogen 2.914 N/A LYS 308.A N THR 304.A O no hydrogen 2.941 N/A MET 309.A N TRP 305.A O no hydrogen 3.015 N/A LYS 310.A N LEU 306.A O no hydrogen 3.018 N/A SER 311.A N GLU 307.A O no hydrogen 3.123 N/A SER 311.A OG GLU 307.A O no hydrogen 3.129 N/A ARG 312.A N LYS 308.A O no hydrogen 3.317 N/A ARG 312.A NH2 GLU 217.A OE2 no hydrogen 2.934 N/A GLN 313.A N LYS 310.A O no hydrogen 3.345 N/A