Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w6p_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N GLU 4.A OE2 no hydrogen 2.802 N/A ILE 7.A N GLU 4.A O no hydrogen 3.064 N/A ILE 10.A N LEU 6.A O no hydrogen 2.926 N/A ASN 11.A N ILE 7.A O no hydrogen 3.010 N/A LYS 12.A N PRO 8.A O no hydrogen 3.301 N/A LYS 12.A NZ GLU 326.A OE1 no hydrogen 2.843 N/A LEU 13.A N VAL 9.A O no hydrogen 2.915 N/A GLN 14.A N ILE 10.A O no hydrogen 2.757 N/A GLN 14.A NE2 GLN 14.A O no hydrogen 3.470 N/A GLN 14.A NE2 ASN 18.A OD1 no hydrogen 3.139 N/A ASP 15.A N ASN 11.A O no hydrogen 3.110 N/A VAL 16.A N LYS 12.A O no hydrogen 3.177 N/A PHE 17.A N LEU 13.A O no hydrogen 3.118 N/A ASN 18.A N GLN 14.A O no hydrogen 2.958 N/A THR 19.A N ASP 15.A O no hydrogen 3.147 N/A THR 19.A OG1 ASP 15.A O no hydrogen 2.863 N/A VAL 20.A N VAL 16.A O no hydrogen 3.072 N/A GLY 21.A N ASN 18.A O no hydrogen 3.258 N/A ALA 22.A N PHE 17.A O no hydrogen 3.021 N/A GLN 26.A NE2 ILE 24.A O no hydrogen 3.639 N/A GLN 29.A N ASN 164.A O no hydrogen 3.214 N/A ILE 30.A N THR 129.A O no hydrogen 2.849 N/A VAL 31.A N ILE 166.A O no hydrogen 2.903 N/A VAL 32.A N VAL 131.A O no hydrogen 3.193 N/A VAL 33.A N LEU 168.A O no hydrogen 2.990 N/A THR 35.A OG1 GLU 181.A OE1 no hydrogen 2.615 N/A GLN 36.A N MET 136.A O no hydrogen 2.869 N/A SER 37.A OG GLY 56.A O no hydrogen 3.461 N/A SER 38.A N THR 35.A O no hydrogen 3.169 N/A SER 38.A OG THR 35.A O no hydrogen 2.784 N/A LYS 40.A NZ THR 35.A O no hydrogen 2.913 N/A SER 41.A OG THR 61.A OG1 no hydrogen 2.895 N/A SER 41.A OG ASP 132.A OD1 no hydrogen 3.349 N/A SER 41.A OG ASP 132.A OD2 no hydrogen 2.658 N/A VAL 43.A N GLY 39.A O no hydrogen 3.009 N/A LEU 44.A N LYS 40.A O no hydrogen 2.840 N/A GLU 45.A N SER 41.A O no hydrogen 3.058 N/A SER 46.A N SER 42.A O no hydrogen 3.351 N/A SER 46.A N VAL 43.A O no hydrogen 3.133 N/A SER 46.A OG VAL 43.A O no hydrogen 2.689 N/A LEU 47.A N LEU 44.A O no hydrogen 3.199 N/A VAL 48.A N GLU 45.A O no hydrogen 2.927 N/A GLY 49.A N GLU 45.A O no hydrogen 2.862 N/A ARG 50.A NH1 GLU 75.A OE1 no hydrogen 2.619 N/A LEU 52.A N ARG 50.A O no hydrogen 3.094 N/A LEU 53.A N GLU 45.A OE2 no hydrogen 3.111 N/A ARG 55.A NE LEU 53.A O no hydrogen 3.037 N/A THR 61.A OG1 SER 41.A OG no hydrogen 2.895 N/A ARG 62.A NH1 SER 105.A O no hydrogen 3.440 N/A ARG 62.A NH1 GLY 106.A O no hydrogen 2.912 N/A ARG 62.A NH1 GLY 110.A O no hydrogen 2.947 N/A ARG 62.A NH2 GLY 106.A O no hydrogen 2.916 N/A ARG 63.A NE GLU 114.A O no hydrogen 2.729 N/A ARG 63.A NH1 GLU 100.A O no hydrogen 2.962 N/A ARG 63.A NH1 GLU 100.A OE2 no hydrogen 2.834 N/A ARG 63.A NH2 GLU 114.A O no hydrogen 3.082 N/A LEU 65.A N ASP 132.A O no hydrogen 2.946 N/A ILE 66.A N ILE 116.A O no hydrogen 2.841 N/A LEU 67.A N LEU 130.A O no hydrogen 2.747 N/A GLN 68.A N LEU 118.A O no hydrogen 2.813 N/A LEU 69.A N LEU 128.A O no hydrogen 2.692 N/A VAL 70.A N ILE 120.A O no hydrogen 2.793 N/A HIS 71.A N ASN 127.A OD1 no hydrogen 2.772 N/A HIS 71.A ND1 VAL 125.A O no hydrogen 2.762 N/A VAL 72.A N SER 122.A O no hydrogen 2.955 N/A TRP 76.A N PHE 121.A O no hydrogen 3.070 N/A GLY 77.A N TYR 87.A O no hydrogen 2.742 N/A LYS 78.A N LYS 119.A O no hydrogen 2.830 N/A LEU 80.A N HIS 117.A O no hydrogen 3.104 N/A HIS 81.A NE2 GLU 96.A OE2 no hydrogen 2.685 N/A THR 82.A N PHE 79.A O no hydrogen 3.259 N/A THR 82.A OG1 TYR 87.A OH no hydrogen 3.277 N/A LYS 85.A N THR 82.A O no hydrogen 3.327 N/A TYR 87.A N GLY 77.A O no hydrogen 2.771 N/A TYR 87.A OH THR 82.A OG1 no hydrogen 3.277 N/A ILE 93.A N ASP 89.A O no hydrogen 3.109 N/A ARG 94.A N PHE 90.A O no hydrogen 2.986 N/A ARG 94.A NH1 ASP 51.A O no hydrogen 2.798 N/A ARG 94.A NH1 ASP 91.A OD1 no hydrogen 3.111 N/A GLN 95.A N ASP 91.A O no hydrogen 2.931 N/A GLU 96.A N GLU 92.A O no hydrogen 2.906 N/A ILE 97.A N ILE 93.A O no hydrogen 2.983 N/A GLU 98.A N ARG 94.A O no hydrogen 3.166 N/A ASN 99.A N GLN 95.A O no hydrogen 2.874 N/A GLU 100.A N GLU 96.A O no hydrogen 2.857 N/A THR 101.A N ILE 97.A O no hydrogen 2.942 N/A THR 101.A OG1 ILE 97.A O no hydrogen 2.666 N/A GLU 102.A N GLU 98.A O no hydrogen 3.048 N/A ARG 103.A N ASN 99.A O no hydrogen 2.930 N/A ARG 103.A NE GLU 100.A OE1 no hydrogen 2.817 N/A ARG 103.A NE GLU 100.A OE2 no hydrogen 3.264 N/A ARG 103.A NH2 GLU 100.A OE2 no hydrogen 2.615 N/A ILE 104.A N GLU 100.A O no hydrogen 3.390 N/A SER 105.A N THR 101.A O no hydrogen 2.782 N/A SER 105.A OG ARG 62.A O no hydrogen 3.395 N/A GLY 106.A N GLU 102.A O no hydrogen 2.928 N/A SER 112.A N ARG 62.A O no hydrogen 2.967 N/A GLU 114.A N SER 112.A OG no hydrogen 3.112 N/A ILE 116.A N PRO 64.A O no hydrogen 2.797 N/A LEU 118.A N ILE 66.A O no hydrogen 3.074 N/A LYS 119.A N LYS 78.A O no hydrogen 2.768 N/A ILE 120.A N GLN 68.A O no hydrogen 2.886 N/A PHE 121.A N TRP 76.A O no hydrogen 2.709 N/A SER 122.A N VAL 70.A O no hydrogen 3.034 N/A SER 122.A OG GLU 75.A OE2 no hydrogen 2.724 N/A ASN 124.A N SER 122.A OG no hydrogen 3.009 N/A LEU 128.A N LEU 69.A O no hydrogen 3.211 N/A LEU 130.A N LEU 67.A O no hydrogen 2.779 N/A VAL 131.A N ILE 30.A O no hydrogen 2.764 N/A ASP 132.A N LEU 65.A O no hydrogen 2.922 N/A MET 136.A N GLY 34.A O no hydrogen 2.987 N/A LYS 138.A NZ THR 137.A O no hydrogen 2.955 N/A LYS 138.A NZ GLU 149.A OE2 no hydrogen 2.901 N/A LYS 138.A NZ GLU 181.A OE2 no hydrogen 2.634 N/A VAL 141.A N GLN 144.A OE1 no hydrogen 2.967 N/A ASP 143.A N ASN 108.A O no hydrogen 2.795 N/A GLN 144.A N VAL 141.A O no hydrogen 2.999 N/A GLN 144.A NE2 LYS 109.A O no hydrogen 2.798 N/A ILE 148.A N PRO 145.A O no hydrogen 3.103 N/A GLN 151.A N ASP 147.A O no hydrogen 3.049 N/A ILE 152.A N ILE 148.A O no hydrogen 2.895 N/A ARG 153.A N GLU 149.A O no hydrogen 2.889 N/A ARG 153.A NH1 GLU 188.A OE1 no hydrogen 2.900 N/A ARG 153.A NH1 GLU 188.A OE2 no hydrogen 3.539 N/A ARG 153.A NH2 GLU 188.A OE1 no hydrogen 3.439 N/A ARG 153.A NH2 GLU 188.A OE2 no hydrogen 2.912 N/A GLU 154.A N LEU 150.A O no hydrogen 2.851 N/A LEU 155.A N GLN 151.A O no hydrogen 3.061 N/A ILE 156.A N ILE 152.A O no hydrogen 2.981 N/A LEU 157.A N ARG 153.A O no hydrogen 2.970 N/A ARG 158.A N GLU 154.A O no hydrogen 2.921 N/A PHE 159.A N ILE 156.A O no hydrogen 2.963 N/A ILE 160.A N ILE 156.A O no hydrogen 2.972 N/A SER 161.A N LEU 157.A O no hydrogen 2.964 N/A SER 161.A OG LEU 157.A O no hydrogen 2.731 N/A ASN 162.A N PHE 159.A O no hydrogen 3.428 N/A ASN 164.A ND2 GLN 26.A O no hydrogen 3.421 N/A SER 165.A OG ASN 162.A O no hydrogen 2.724 N/A ILE 166.A N GLN 29.A O no hydrogen 2.748 N/A ILE 167.A N ARG 195.A O no hydrogen 2.825 N/A LEU 168.A N VAL 31.A O no hydrogen 2.830 N/A ALA 169.A N LEU 197.A O no hydrogen 2.913 N/A VAL 170.A N VAL 33.A O no hydrogen 2.885 N/A THR 171.A N VAL 199.A O no hydrogen 2.995 N/A THR 171.A OG1 SER 180.A OG no hydrogen 2.650 N/A ALA 173.A N THR 201.A O no hydrogen 2.789 N/A THR 175.A N ALA 172.A O no hydrogen 3.287 N/A THR 175.A OG1 ALA 172.A O no hydrogen 2.808 N/A THR 179.A N ASP 176.A O no hydrogen 2.881 N/A THR 179.A OG1 ASP 176.A O no hydrogen 2.639 N/A SER 180.A N MET 177.A O no hydrogen 2.946 N/A SER 180.A OG THR 171.A OG1 no hydrogen 2.650 N/A LEU 183.A N SER 180.A OG no hydrogen 2.919 N/A LYS 184.A N SER 180.A O no hydrogen 3.129 N/A ILE 185.A N GLU 181.A O no hydrogen 3.048 N/A SER 186.A N ALA 182.A O no hydrogen 2.945 N/A SER 186.A OG ALA 182.A O no hydrogen 2.685 N/A ARG 187.A N LEU 183.A O no hydrogen 2.999 N/A GLU 188.A N ILE 185.A O no hydrogen 3.185 N/A VAL 189.A N SER 186.A O no hydrogen 3.267 N/A ASP 190.A N SER 186.A O no hydrogen 2.741 N/A GLY 193.A N ASP 190.A O no hydrogen 3.016 N/A ARG 194.A N ASP 190.A OD1 no hydrogen 2.957 N/A ARG 195.A N ASP 190.A OD2 no hydrogen 2.825 N/A ARG 195.A NH1 ILE 160.A O no hydrogen 3.068 N/A ARG 195.A NH1 SER 165.A O no hydrogen 3.067 N/A ARG 195.A NH2 ILE 160.A O no hydrogen 2.820 N/A ARG 195.A NH2 VAL 189.A O no hydrogen 3.435 N/A THR 196.A OG1 ASP 190.A OD2 no hydrogen 2.712 N/A LEU 197.A N ILE 167.A O no hydrogen 2.903 N/A ALA 198.A N GLY 226.A O no hydrogen 3.082 N/A VAL 199.A N ALA 169.A O no hydrogen 2.912 N/A ILE 200.A N ILE 228.A O no hydrogen 2.876 N/A THR 201.A N THR 171.A O no hydrogen 3.039 N/A THR 201.A OG1 SER 38.A O no hydrogen 2.629 N/A LYS 202.A NZ SER 37.A O no hydrogen 2.740 N/A LEU 205.A N LYS 202.A O no hydrogen 2.939 N/A MET 206.A N LEU 203.A O no hydrogen 3.407 N/A THR 210.A N ASP 207.A O no hydrogen 3.030 N/A THR 210.A OG1 ASP 207.A O no hydrogen 2.741 N/A ALA 212.A N TYR 259.A OH no hydrogen 2.840 N/A MET 213.A N ASP 211.A OD1 no hydrogen 2.923 N/A LEU 216.A N ALA 212.A O no hydrogen 2.850 N/A MET 217.A N MET 213.A O no hydrogen 2.967 N/A GLY 218.A N VAL 215.A O no hydrogen 3.113 N/A ARG 219.A N ASP 214.A O no hydrogen 2.874 N/A GLY 226.A N VAL 223.A O no hydrogen 3.140 N/A ILE 228.A N ALA 198.A O no hydrogen 2.863 N/A GLY 229.A N ASN 266.A OD1 no hydrogen 2.715 N/A VAL 230.A N ILE 200.A O no hydrogen 2.876 N/A VAL 231.A N GLU 251.A OE2 no hydrogen 2.902 N/A ARG 233.A NH1 ASP 51.A OD1 no hydrogen 3.526 N/A ARG 233.A NH1 ASP 51.A OD2 no hydrogen 2.788 N/A ARG 233.A NH1 LYS 242.A O no hydrogen 2.832 N/A ARG 233.A NH2 ASP 51.A OD1 no hydrogen 2.752 N/A SER 234.A N ASP 237.A OD2 no hydrogen 3.047 N/A GLN 235.A NE2 ASN 239.A OD1 no hydrogen 3.028 N/A ASP 237.A N SER 234.A OG no hydrogen 3.029 N/A ILE 238.A N SER 234.A O no hydrogen 2.948 N/A ASN 239.A N GLN 235.A O no hydrogen 2.821 N/A ASN 240.A N LEU 236.A O no hydrogen 2.861 N/A LYS 241.A N ILE 238.A O no hydrogen 3.078 N/A LYS 242.A N ASP 237.A O no hydrogen 2.953 N/A LYS 242.A NZ ASP 250.A OD2 no hydrogen 2.703 N/A ASP 246.A N SER 243.A OG no hydrogen 3.068 N/A SER 247.A N SER 243.A O no hydrogen 2.941 N/A ILE 248.A N VAL 244.A O no hydrogen 2.923 N/A ARG 249.A N THR 245.A O no hydrogen 3.022 N/A ARG 249.A NH1 ASP 246.A OD1 no hydrogen 2.694 N/A ASP 250.A N ASP 246.A O no hydrogen 2.980 N/A GLU 251.A N SER 247.A O no hydrogen 2.866 N/A TYR 252.A N ILE 248.A O no hydrogen 2.899 N/A ALA 253.A N ARG 249.A O no hydrogen 3.039 N/A PHE 254.A N ASP 250.A O no hydrogen 2.857 N/A LEU 255.A N GLU 251.A O no hydrogen 2.987 N/A GLN 256.A N TYR 252.A O no hydrogen 3.015 N/A LYS 257.A N ALA 253.A O no hydrogen 3.041 N/A LYS 258.A N PHE 254.A O no hydrogen 2.902 N/A TYR 259.A N LEU 255.A O no hydrogen 2.843 N/A LEU 262.A N TYR 259.A O no hydrogen 2.911 N/A ARG 265.A N LEU 262.A O no hydrogen 2.949 N/A ASN 266.A N ALA 263.A O no hydrogen 3.155 N/A ASN 266.A ND2 LEU 262.A O no hydrogen 2.840 N/A GLY 267.A N GLY 229.A O no hydrogen 2.747 N/A THR 268.A N GLU 251.A OE1 no hydrogen 2.821 N/A THR 268.A OG1 GLU 251.A OE1 no hydrogen 3.265 N/A THR 268.A OG1 GLU 251.A OE2 no hydrogen 2.795 N/A LEU 271.A N GLY 267.A O no hydrogen 3.018 N/A ALA 272.A N THR 268.A O no hydrogen 2.985 N/A ARG 273.A N LYS 269.A O no hydrogen 2.951 N/A THR 274.A N TYR 270.A O no hydrogen 2.859 N/A THR 274.A OG1 TYR 270.A O no hydrogen 2.910 N/A LEU 275.A N LEU 271.A O no hydrogen 2.957 N/A ASN 276.A N ALA 272.A O no hydrogen 2.839 N/A ARG 277.A N ARG 273.A O no hydrogen 3.013 N/A LEU 278.A N THR 274.A O no hydrogen 3.100 N/A LEU 279.A N LEU 275.A O no hydrogen 2.883 N/A MET 280.A N ASN 276.A O no hydrogen 2.855 N/A HIS 281.A N ARG 277.A O no hydrogen 3.116 N/A HIS 282.A N LEU 278.A O no hydrogen 3.330 N/A ILE 283.A N LEU 279.A O no hydrogen 2.987 N/A ARG 284.A N MET 280.A O no hydrogen 2.894 N/A ASP 285.A N HIS 281.A O no hydrogen 3.060 N/A CYS 286.A N ILE 283.A O no hydrogen 3.040 N/A CYS 286.A SG ILE 283.A O no hydrogen 3.325 N/A LEU 287.A N ARG 284.A O no hydrogen 3.315 N/A LEU 290.A N CYS 286.A O no hydrogen 3.376 N/A LYS 291.A N LEU 287.A O no hydrogen 2.790 N/A THR 292.A N PRO 288.A O no hydrogen 3.099 N/A THR 292.A OG1 PRO 288.A O no hydrogen 3.537 N/A THR 292.A OG1 GLU 289.A O no hydrogen 2.734 N/A ARG 293.A N GLU 289.A O no hydrogen 3.189 N/A ILE 294.A N LEU 290.A O no hydrogen 3.087 N/A ASN 295.A N LYS 291.A O no hydrogen 3.182 N/A VAL 296.A N THR 292.A O no hydrogen 3.140 N/A LEU 297.A N ARG 293.A O no hydrogen 3.201 N/A ALA 298.A N ILE 294.A O no hydrogen 2.858 N/A ALA 299.A N ASN 295.A O no hydrogen 3.320 N/A GLN 300.A N VAL 296.A O no hydrogen 3.207 N/A TYR 301.A N LEU 297.A O no hydrogen 2.876 N/A GLN 302.A N ALA 298.A O no hydrogen 2.817 N/A SER 303.A N ALA 299.A O no hydrogen 3.219 N/A SER 303.A OG ALA 299.A O no hydrogen 3.485 N/A SER 303.A OG GLN 300.A O no hydrogen 2.733 N/A ALA 310.A N ARG 306.A O no hydrogen 3.377 N/A ALA 311.A N ARG 307.A O no hydrogen 3.124 N/A ASP 312.A N LYS 308.A O no hydrogen 2.929 N/A MET 313.A N GLU 309.A O no hydrogen 3.197 N/A LEU 314.A N ALA 310.A O no hydrogen 3.216 N/A ALA 316.A N ASP 312.A O no hydrogen 2.903 N/A LEU 317.A N MET 313.A O no hydrogen 2.950 N/A GLN 318.A N LEU 314.A O no hydrogen 3.398 N/A GLY 319.A N LYS 315.A O no hydrogen 3.007 N/A ALA 320.A N ALA 316.A O no hydrogen 3.085 N/A SER 321.A N LEU 317.A O no hydrogen 2.987 N/A GLN 322.A N GLN 318.A O no hydrogen 3.083 N/A GLN 322.A NE2 GLU 326.A OE2 no hydrogen 3.132 N/A ILE 323.A N GLY 319.A O no hydrogen 2.867 N/A ILE 324.A N ALA 320.A O no hydrogen 2.985 N/A ALA 325.A N SER 321.A O no hydrogen 3.182 N/A GLU 326.A N GLN 322.A O no hydrogen 2.997 N/A ILE 327.A N ILE 323.A O no hydrogen 2.901 N/A ARG 328.A N ILE 324.A O no hydrogen 3.129 N/A GLU 329.A N ALA 325.A O no hydrogen 3.169 N/A GLU 329.A N GLU 326.A O no hydrogen 3.046 N/A THR 330.A N ILE 327.A O no hydrogen 3.229 N/A THR 330.A OG1 GLU 326.A O no hydrogen 2.679 N/A