Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3doc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N ASP 28.A O no hydrogen 3.167 N/A ARG 4.A N ASP 93.A OD2 no hydrogen 2.793 N/A ARG 4.A NE ASN 91.A O no hydrogen 2.975 N/A ARG 4.A NH2 GLU 90.A O no hydrogen 3.057 N/A VAL 5.A N GLN 30.A O no hydrogen 2.715 N/A ALA 6.A N ILE 94.A O no hydrogen 3.264 N/A ILE 7.A N ALA 33.A O no hydrogen 2.931 N/A ASN 8.A N LEU 96.A O no hydrogen 2.987 N/A ASN 8.A ND2 GLU 97.A OE2 no hydrogen 2.744 N/A GLY 9.A N ASN 35.A O no hydrogen 2.885 N/A PHE 10.A N ASP 36.A OD2 no hydrogen 3.085 N/A ARG 12.A NE GLU 317.A OE2 no hydrogen 2.906 N/A ARG 12.A NH1 ASP 50.A OD1 no hydrogen 3.096 N/A ARG 12.A NH2 ASP 50.A OD1 no hydrogen 3.103 N/A ARG 12.A NH2 ASP 50.A OD2 no hydrogen 3.179 N/A ARG 12.A NH2 GLU 317.A OE1 no hydrogen 3.120 N/A ARG 15.A N GLY 11.A O no hydrogen 3.053 N/A ARG 15.A NH1 PHE 10.A O no hydrogen 2.965 N/A ASN 16.A N ARG 12.A O no hydrogen 2.950 N/A ILE 17.A N ILE 13.A O no hydrogen 3.156 N/A LEU 18.A N GLY 14.A O no hydrogen 3.518 N/A ARG 19.A N ARG 15.A O no hydrogen 2.988 N/A ARG 19.A NH1 GLY 54.A O no hydrogen 3.176 N/A ALA 20.A N ASN 16.A O no hydrogen 2.768 N/A ILE 21.A N ILE 17.A O no hydrogen 3.070 N/A VAL 22.A N LEU 18.A O no hydrogen 3.128 N/A GLU 23.A N ARG 19.A O no hydrogen 2.850 N/A SER 24.A N ALA 20.A O no hydrogen 3.170 N/A SER 24.A OG ALA 20.A O no hydrogen 3.326 N/A SER 24.A OG ILE 21.A O no hydrogen 3.085 N/A GLY 25.A N VAL 22.A O no hydrogen 3.284 N/A ARG 26.A N SER 24.A OG no hydrogen 2.910 N/A ARG 26.A NE ASP 28.A OD1 no hydrogen 2.618 N/A ARG 26.A NH1 ASP 326.A OD1 no hydrogen 2.929 N/A ARG 26.A NH2 ASP 28.A OD1 no hydrogen 3.417 N/A ARG 26.A NH2 ASP 28.A OD2 no hydrogen 2.995 N/A ARG 26.A NH2 ASP 326.A OD1 no hydrogen 2.963 N/A GLN 30.A N VAL 3.A O no hydrogen 2.928 N/A VAL 32.A N VAL 5.A O no hydrogen 2.765 N/A ILE 34.A N LYS 75.A O no hydrogen 2.995 N/A ASN 35.A N ILE 7.A O no hydrogen 3.031 N/A ASN 35.A ND2 ASN 8.A OD1 no hydrogen 2.752 N/A ASN 35.A ND2 VAL 79.A O no hydrogen 3.337 N/A ASP 36.A N HIS 77.A O no hydrogen 3.093 N/A GLY 38.A N ASP 36.A OD1 no hydrogen 2.946 N/A ASN 43.A N PRO 39.A O no hydrogen 3.170 N/A ALA 44.A N VAL 40.A O no hydrogen 3.118 N/A HIS 45.A N GLU 41.A O no hydrogen 2.995 N/A LEU 46.A N THR 42.A O no hydrogen 3.027 N/A LEU 47.A N ASN 43.A O no hydrogen 3.219 N/A ARG 48.A N ALA 44.A O no hydrogen 2.976 N/A ARG 48.A NH2 VAL 60.A O no hydrogen 2.949 N/A TYR 49.A N HIS 45.A O no hydrogen 3.014 N/A ASP 50.A N GLY 54.A O no hydrogen 3.179 N/A VAL 52.A N ASP 50.A OD2 no hydrogen 3.108 N/A HIS 53.A N ASP 50.A OD2 no hydrogen 2.850 N/A HIS 53.A ND1 HIS 288.A ND1 no hydrogen 2.967 N/A HIS 53.A NE2 GLU 317.A OE1 no hydrogen 3.032 N/A GLY 54.A N ASP 50.A O no hydrogen 2.797 N/A PHE 56.A N ARG 48.A O no hydrogen 3.138 N/A LYS 58.A NZ VAL 69.A O no hydrogen 3.351 N/A GLU 61.A N ASP 68.A O no hydrogen 3.221 N/A ALA 63.A N THR 66.A O no hydrogen 3.285 N/A ILE 67.A N ILE 74.A O no hydrogen 3.087 N/A ASP 68.A N GLU 61.A O no hydrogen 3.025 N/A GLY 70.A N ASP 68.A OD1 no hydrogen 2.678 N/A TYR 71.A OH VAL 31.A O no hydrogen 2.976 N/A GLY 72.A N ASP 68.A OD1 no hydrogen 3.235 N/A ILE 74.A N ILE 67.A O no hydrogen 2.635 N/A VAL 76.A N ASP 65.A O no hydrogen 2.932 N/A HIS 77.A N ILE 34.A O no hydrogen 2.641 N/A GLU 84.A N ASN 81.A O no hydrogen 2.705 N/A TRP 87.A N ALA 114.A O no hydrogen 2.993 N/A TRP 87.A NE1 HIS 111.A ND1 no hydrogen 3.218 N/A GLU 90.A N PRO 86.A O no hydrogen 3.171 N/A ASN 91.A N LYS 88.A O no hydrogen 3.028 N/A VAL 92.A N TRP 87.A O no hydrogen 3.132 N/A ASP 93.A N ARG 4.A O no hydrogen 2.994 N/A ILE 94.A N ARG 4.A O no hydrogen 3.484 N/A ALA 95.A N ARG 118.A O no hydrogen 2.931 N/A LEU 96.A N ALA 6.A O no hydrogen 2.780 N/A GLU 97.A N ILE 120.A O no hydrogen 2.698 N/A CYS 98.A N ASN 8.A O no hydrogen 2.926 N/A CYS 98.A SG LEU 96.A O no hydrogen 3.540 N/A THR 99.A N GLU 97.A OE1 no hydrogen 3.273 N/A THR 99.A OG1 GLU 97.A OE1 no hydrogen 2.707 N/A ILE 101.A N THR 99.A OG1 no hydrogen 3.207 N/A ARG 105.A N ASP 126.A O no hydrogen 3.000 N/A ARG 105.A NE ASP 129.A OD1 no hydrogen 2.618 N/A ARG 105.A NH2 ASP 129.A OD1 no hydrogen 3.184 N/A ARG 105.A NH2 ASP 129.A OD2 no hydrogen 2.883 N/A LYS 107.A N SER 104.A O no hydrogen 3.055 N/A LYS 107.A N SER 104.A OG no hydrogen 3.359 N/A ALA 108.A N SER 104.A O no hydrogen 2.929 N/A ALA 109.A N ARG 105.A O no hydrogen 2.923 N/A LEU 110.A N LYS 107.A O no hydrogen 3.044 N/A HIS 111.A N ALA 108.A O no hydrogen 3.257 N/A HIS 111.A NE2 GLU 97.A OE2 no hydrogen 2.740 N/A LEU 112.A N ALA 109.A O no hydrogen 2.952 N/A GLU 113.A N LEU 110.A O no hydrogen 2.739 N/A ALA 114.A N LEU 110.A O no hydrogen 2.871 N/A GLY 115.A N LEU 112.A O no hydrogen 3.460 N/A ALA 116.A N HIS 111.A O no hydrogen 3.054 N/A LYS 117.A N ASP 93.A O no hydrogen 3.172 N/A ARG 118.A N ASP 93.A O no hydrogen 2.934 N/A ARG 118.A NH1 LYS 117.A O no hydrogen 2.953 N/A VAL 119.A N LEU 146.A O no hydrogen 3.008 N/A ILE 120.A N ALA 95.A O no hydrogen 2.973 N/A VAL 121.A N ILE 148.A O no hydrogen 2.852 N/A SER 122.A N GLU 97.A O no hydrogen 3.015 N/A SER 122.A OG GLU 97.A O no hydrogen 3.234 N/A ALA 128.A N ALA 125.A O no hydrogen 3.150 N/A ASP 129.A N VAL 147.A O no hydrogen 2.854 N/A VAL 132.A N SER 149.A O no hydrogen 2.716 N/A VAL 133.A N ASN 137.A OD1 no hydrogen 2.904 N/A VAL 136.A N VAL 133.A O no hydrogen 2.925 N/A ASN 137.A N VAL 133.A O no hydrogen 3.239 N/A ASN 137.A ND2 THR 131.A O no hydrogen 2.877 N/A LYS 140.A N ASN 137.A O no hydrogen 2.990 N/A ASP 144.A N THR 142.A OG1 no hydrogen 3.286 N/A HIS 145.A N THR 142.A O no hydrogen 3.403 N/A HIS 145.A NE2 LYS 140.A O no hydrogen 3.178 N/A LEU 146.A N ASP 129.A OD2 no hydrogen 2.831 N/A VAL 147.A N ASP 129.A OD2 no hydrogen 2.854 N/A ILE 148.A N VAL 119.A O no hydrogen 2.898 N/A SER 149.A N LEU 130.A O no hydrogen 3.101 N/A SER 149.A OG ALA 123.A O no hydrogen 2.668 N/A ASN 150.A N VAL 121.A O no hydrogen 3.070 N/A ALA 151.A N SER 149.A OG no hydrogen 2.791 N/A SER 152.A OG THR 155.A OG1 no hydrogen 3.005 N/A CYS 153.A SG HIS 180.A NE2 no hydrogen 3.445 N/A THR 154.A OG1 TYR 314.A OH no hydrogen 2.698 N/A THR 155.A N SER 152.A OG no hydrogen 3.393 N/A THR 155.A OG1 SER 152.A OG no hydrogen 3.005 N/A ASN 156.A N SER 152.A O no hydrogen 2.836 N/A CYS 157.A N CYS 153.A O no hydrogen 3.005 N/A CYS 157.A N THR 154.A O no hydrogen 3.058 N/A CYS 157.A SG SER 293.A OG no hydrogen 3.538 N/A CYS 157.A SG SER 312.A O no hydrogen 3.536 N/A CYS 157.A SG TRP 313.A O no hydrogen 4.001 N/A LEU 158.A N THR 154.A O no hydrogen 2.925 N/A ALA 159.A N THR 155.A O no hydrogen 3.021 N/A ALA 162.A N LEU 158.A O no hydrogen 2.933 N/A GLN 163.A N ALA 159.A O no hydrogen 2.852 N/A VAL 164.A N PRO 160.A O no hydrogen 3.263 N/A LEU 165.A N VAL 161.A O no hydrogen 3.167 N/A ASN 166.A N ALA 162.A O no hydrogen 2.921 N/A ASP 167.A N GLN 163.A O no hydrogen 2.999 N/A THR 168.A N LEU 165.A O no hydrogen 3.282 N/A THR 168.A OG1 VAL 164.A O no hydrogen 3.445 N/A ILE 169.A N LEU 165.A O no hydrogen 2.954 N/A GLY 170.A N LEU 165.A O no hydrogen 3.030 N/A ILE 171.A N ASN 166.A OD1 no hydrogen 2.808 N/A GLU 172.A N ILE 248.A O no hydrogen 3.051 N/A GLY 174.A N LYS 227.A O no hydrogen 3.085 N/A PHE 175.A N THR 246.A O no hydrogen 2.895 N/A MET 176.A N ASP 229.A O no hydrogen 2.880 N/A THR 177.A N ASP 244.A O no hydrogen 2.994 N/A THR 178.A N VAL 231.A O no hydrogen 3.026 N/A THR 178.A OG1 VAL 242.A O no hydrogen 2.719 N/A THR 178.A OG1 TYR 314.A OH no hydrogen 2.749 N/A ILE 179.A N VAL 242.A O no hydrogen 3.148 N/A HIS 180.A N ILE 233.A O no hydrogen 2.845 N/A HIS 180.A ND1 SER 181.A O no hydrogen 2.680 N/A SER 181.A N SER 241.A OG no hydrogen 3.315 N/A SER 181.A OG THR 237.A O no hydrogen 3.099 N/A SER 181.A OG THR 237.A OG1 no hydrogen 2.742 N/A SER 181.A OG VAL 240.A O no hydrogen 2.838 N/A TYR 182.A N THR 237.A O no hydrogen 2.915 N/A THR 183.A N GLN 186.A OE1 no hydrogen 3.068 N/A GLN 186.A N THR 183.A O no hydrogen 3.085 N/A THR 191.A N ALA 199.A O no hydrogen 2.994 N/A ASP 195.A N HIS 193.A ND1 no hydrogen 2.972 N/A ARG 198.A N ASP 195.A OD2 no hydrogen 3.257 N/A ARG 198.A NE THR 209.A OG1 no hydrogen 3.412 N/A ARG 200.A N TYR 197.A O no hydrogen 3.270 N/A ARG 200.A NE ASP 190.A OD1 no hydrogen 3.087 N/A ALA 201.A N ASP 190.A OD1 no hydrogen 2.657 N/A ALA 202.A N PRO 187.A O no hydrogen 3.036 N/A LEU 204.A N ALA 201.A O no hydrogen 3.403 N/A ILE 207.A N ARG 234.A O no hydrogen 2.749 N/A THR 209.A N ALA 232.A O no hydrogen 2.955 N/A ALA 213.A N THR 211.A OG1 no hydrogen 3.416 N/A ALA 216.A N GLY 212.A O no hydrogen 3.380 N/A VAL 217.A N ALA 213.A O no hydrogen 3.250 N/A LEU 219.A N ALA 216.A O no hydrogen 3.204 N/A VAL 220.A N ALA 216.A O no hydrogen 3.298 N/A LEU 221.A N VAL 217.A O no hydrogen 2.883 N/A GLU 223.A N GLU 223.A OE2 no hydrogen 2.503 N/A LEU 224.A N LEU 221.A O no hydrogen 2.741 N/A LYS 225.A N PRO 222.A O no hydrogen 3.051 N/A ASP 229.A N GLY 174.A O no hydrogen 3.193 N/A VAL 231.A N MET 176.A O no hydrogen 3.125 N/A ALA 232.A N THR 209.A O no hydrogen 2.689 N/A ILE 233.A N THR 178.A O no hydrogen 2.960 N/A ARG 234.A N ILE 207.A O no hydrogen 2.705 N/A ARG 234.A NH2 SER 181.A O no hydrogen 3.462 N/A VAL 235.A N HIS 180.A O no hydrogen 2.847 N/A THR 237.A N VAL 235.A O no hydrogen 2.487 N/A THR 237.A OG1 SER 181.A OG no hydrogen 2.742 N/A ASN 239.A ND2 ASN 287.A OD1 no hydrogen 2.789 N/A ASN 239.A ND2 ASP 315.A OD1 no hydrogen 3.433 N/A ASN 239.A ND2 ASP 315.A OD2 no hydrogen 3.344 N/A SER 241.A N TYR 314.A O no hydrogen 2.707 N/A VAL 242.A N ILE 179.A O no hydrogen 3.142 N/A VAL 243.A N SER 312.A O no hydrogen 2.815 N/A ASP 244.A N THR 177.A O no hydrogen 3.003 N/A LEU 245.A N ILE 310.A O no hydrogen 3.072 N/A THR 246.A N PHE 175.A O no hydrogen 3.080 N/A PHE 247.A N VAL 308.A O no hydrogen 2.758 N/A ILE 248.A N LYS 173.A O no hydrogen 2.916 N/A ALA 249.A N THR 306.A O no hydrogen 2.903 N/A LYS 250.A N GLY 170.A O no hydrogen 3.048 N/A ARG 251.A NH1 GLU 252.A O no hydrogen 3.289 N/A ARG 251.A NH1 GLU 257.A OE1 no hydrogen 3.425 N/A ARG 251.A NH1 GLU 257.A OE2 no hydrogen 3.383 N/A ARG 251.A NH2 THR 168.A O no hydrogen 2.832 N/A ARG 251.A NH2 GLU 257.A OE2 no hydrogen 2.805 N/A THR 253.A N GLY 305.A O no hydrogen 2.992 N/A THR 253.A OG1 THR 254.A O no hydrogen 3.432 N/A THR 253.A OG1 GLU 257.A OE1 no hydrogen 2.928 N/A THR 254.A N THR 253.A OG1 no hydrogen 2.456 N/A GLU 257.A N THR 254.A OG1 no hydrogen 3.327 N/A VAL 258.A N THR 254.A O no hydrogen 3.150 N/A ASN 259.A N VAL 255.A O no hydrogen 3.041 N/A ASN 259.A ND2 THR 300.A OG1 no hydrogen 2.764 N/A ASN 260.A N GLU 256.A O no hydrogen 2.831 N/A ALA 261.A N GLU 257.A O no hydrogen 2.955 N/A ILE 262.A N VAL 258.A O no hydrogen 3.161 N/A ARG 263.A N ASN 259.A O no hydrogen 2.938 N/A ARG 263.A NE ASP 278.A OD1 no hydrogen 3.197 N/A ARG 263.A NE ASP 278.A OD2 no hydrogen 3.449 N/A ARG 263.A NH2 ASP 278.A OD1 no hydrogen 2.754 N/A GLU 264.A N ASN 260.A O no hydrogen 3.144 N/A ALA 265.A N ALA 261.A O no hydrogen 3.328 N/A ALA 266.A N ILE 262.A O no hydrogen 2.952 N/A ASN 267.A N ARG 263.A O no hydrogen 2.947 N/A GLY 268.A N ALA 265.A O no hydrogen 3.272 N/A ARG 269.A NH2 GLN 163.A OE1 no hydrogen 1.965 N/A LEU 270.A N ALA 265.A O no hydrogen 2.865 N/A LYS 271.A N GLY 268.A O no hydrogen 3.149 N/A ILE 273.A N LEU 270.A O no hydrogen 3.070 N/A LEU 274.A N LEU 270.A O no hydrogen 3.136 N/A GLY 275.A N SER 293.A O no hydrogen 2.785 N/A THR 277.A N PHE 295.A O no hydrogen 2.709 N/A GLU 279.A N THR 277.A OG1 no hydrogen 3.080 N/A LYS 280.A NZ ASP 298.A OD2 no hydrogen 3.421 N/A VAL 282.A N ASP 285.A OD2 no hydrogen 2.946 N/A ASP 285.A N VAL 282.A O no hydrogen 3.031 N/A PHE 286.A N SER 283.A O no hydrogen 3.058 N/A ASN 287.A N HIS 284.A O no hydrogen 2.978 N/A ASN 287.A ND2 VAL 52.A O no hydrogen 2.955 N/A HIS 288.A N ASP 315.A OD2 no hydrogen 2.572 N/A HIS 288.A ND1 HIS 53.A ND1 no hydrogen 2.967 N/A HIS 288.A NE2 GLU 23.A OE1 no hydrogen 2.738 N/A ASP 289.A N PHE 286.A O no hydrogen 3.275 N/A HIS 291.A N ASP 289.A OD1 no hydrogen 2.866 N/A SER 292.A N ILE 273.A O no hydrogen 2.933 N/A SER 293.A OG CYS 157.A O no hydrogen 2.844 N/A SER 293.A OG SER 312.A OG no hydrogen 2.786 N/A VAL 294.A N TRP 313.A O no hydrogen 2.896 N/A PHE 295.A N GLY 275.A O no hydrogen 2.810 N/A HIS 296.A N LEU 311.A O no hydrogen 2.874 N/A THR 297.A N THR 277.A O no hydrogen 3.220 N/A THR 297.A OG1 THR 277.A O no hydrogen 3.002 N/A THR 297.A OG1 ASP 278.A OD1 no hydrogen 2.523 N/A GLN 299.A N HIS 296.A O no hydrogen 2.857 N/A THR 300.A N THR 297.A O no hydrogen 3.255 N/A THR 300.A OG1 THR 297.A O no hydrogen 3.307 N/A LYS 301.A N ARG 309.A O no hydrogen 2.859 N/A MET 303.A N MET 307.A O no hydrogen 2.874 N/A THR 306.A N ASP 304.A O no hydrogen 2.738 N/A THR 306.A OG1 ASP 304.A O no hydrogen 3.530 N/A MET 307.A N MET 303.A O no hydrogen 3.215 N/A VAL 308.A N PHE 247.A O no hydrogen 2.818 N/A ARG 309.A N LYS 301.A O no hydrogen 2.775 N/A ARG 309.A NE ASP 244.A OD1 no hydrogen 2.893 N/A ARG 309.A NH1 GLN 299.A O no hydrogen 3.040 N/A ARG 309.A NH1 GLN 299.A OE1 no hydrogen 2.994 N/A ARG 309.A NH2 ASP 244.A OD2 no hydrogen 3.150 N/A ILE 310.A N LEU 245.A O no hydrogen 2.860 N/A SER 312.A N VAL 243.A O no hydrogen 3.087 N/A SER 312.A OG SER 293.A OG no hydrogen 2.786 N/A TRP 313.A N VAL 294.A O no hydrogen 2.872 N/A TRP 313.A NE1 HIS 296.A ND1 no hydrogen 2.845 N/A TYR 314.A N SER 241.A O no hydrogen 2.757 N/A TYR 314.A OH THR 154.A OG1 no hydrogen 2.698 N/A TYR 314.A OH THR 178.A OG1 no hydrogen 2.749 N/A GLU 317.A N ASP 315.A OD1 no hydrogen 3.024 N/A TRP 318.A N ASP 315.A OD1 no hydrogen 2.616 N/A GLY 319.A N ASP 315.A O no hydrogen 3.182 N/A SER 321.A N GLU 317.A O no hydrogen 3.203 N/A SER 321.A OG GLU 317.A O no hydrogen 3.051 N/A SER 322.A N TRP 318.A O no hydrogen 3.206 N/A SER 322.A OG TRP 318.A O no hydrogen 2.940 N/A ARG 323.A N GLY 319.A O no hydrogen 2.992 N/A ARG 323.A NE ASP 326.A OD2 no hydrogen 2.666 N/A ARG 323.A NH1 SER 290.A O no hydrogen 2.951 N/A ARG 323.A NH1 SER 292.A OG no hydrogen 3.023 N/A ARG 323.A NH2 SER 290.A O no hydrogen 3.205 N/A ARG 323.A NH2 ASP 326.A OD2 no hydrogen 3.323 N/A MET 324.A N PHE 320.A O no hydrogen 3.127 N/A ASP 326.A N SER 322.A O no hydrogen 3.065 N/A THR 327.A N ARG 323.A O no hydrogen 2.811 N/A THR 327.A OG1 ARG 323.A O no hydrogen 2.900 N/A ALA 328.A N MET 324.A O no hydrogen 3.030 N/A VAL 329.A N SER 325.A O no hydrogen 2.922 N/A ALA 330.A N ASP 326.A O no hydrogen 3.404 N/A LEU 331.A N THR 327.A O no hydrogen 2.992 N/A GLY 332.A N ALA 328.A O no hydrogen 2.857 N/A LYS 333.A N VAL 329.A O no hydrogen 3.330 N/A LYS 333.A N ALA 330.A O no hydrogen 3.131 N/A ILE 335.A N GLY 332.A O no hydrogen 3.145 N/A