Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3c72_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 13.A N GLN 264.A OE1 no hydrogen 3.133 N/A GLU 15.A N GLU 15.A OE1 no hydrogen 2.734 N/A HIS 17.A N LEU 13.A O no hydrogen 3.233 N/A HIS 17.A NE2 GLN 264.A OE1 no hydrogen 2.950 N/A ALA 18.A N LEU 14.A O no hydrogen 2.909 N/A ASP 19.A N GLU 15.A O no hydrogen 3.327 N/A TYR 20.A N LYS 16.A O no hydrogen 2.765 N/A ILE 21.A N HIS 17.A O no hydrogen 2.976 N/A ALA 22.A N ALA 18.A O no hydrogen 2.854 N/A SER 23.A N ASP 19.A O no hydrogen 3.219 N/A TYR 24.A N TYR 20.A O no hydrogen 3.052 N/A SER 26.A N SER 23.A O no hydrogen 3.251 N/A SER 26.A OG SER 23.A O no hydrogen 2.894 N/A TYR 32.A N ASP 29.A OD2 no hydrogen 2.759 N/A CYS 33.A N ASP 29.A O no hydrogen 3.245 N/A CYS 33.A SG LYS 27.A O no hydrogen 3.844 N/A CYS 33.A SG ASP 29.A O no hydrogen 3.032 N/A MET 34.A N TYR 30.A O no hydrogen 3.031 N/A SER 35.A N GLU 31.A O no hydrogen 3.132 N/A SER 35.A N TYR 32.A O no hydrogen 2.967 N/A SER 35.A OG GLU 31.A O no hydrogen 2.345 N/A GLU 36.A N CYS 33.A O no hydrogen 3.330 N/A LEU 38.A N SER 35.A O no hydrogen 2.741 N/A ARG 39.A N GLU 36.A O no hydrogen 3.315 N/A MET 40.A N ALA 80.A O no hydrogen 2.865 N/A SER 41.A OG SER 93.A OG no hydrogen 2.973 N/A GLY 42.A N LEU 38.A O no hydrogen 2.856 N/A VAL 43.A N ARG 39.A O no hydrogen 2.619 N/A TYR 44.A N MET 40.A O no hydrogen 3.058 N/A TYR 44.A OH CYS 307.A O no hydrogen 2.902 N/A TRP 45.A N SER 41.A O no hydrogen 2.962 N/A GLY 46.A N GLY 42.A O no hydrogen 3.229 N/A LEU 47.A N VAL 43.A O no hydrogen 2.966 N/A THR 48.A N TYR 44.A O no hydrogen 2.917 N/A THR 48.A OG1 TYR 44.A O no hydrogen 2.823 N/A VAL 49.A N TRP 45.A O no hydrogen 3.259 N/A MET 50.A N GLY 46.A O no hydrogen 3.266 N/A ASP 51.A N LEU 47.A O no hydrogen 2.932 N/A LEU 52.A N THR 48.A O no hydrogen 2.879 N/A MET 53.A N VAL 49.A O no hydrogen 2.891 N/A GLY 54.A N ASP 51.A O no hydrogen 2.735 N/A GLN 55.A N MET 50.A O no hydrogen 2.747 N/A GLN 55.A NE2 MET 53.A O no hydrogen 3.363 N/A ARG 58.A N GLN 55.A O no hydrogen 3.283 N/A ARG 58.A NH1 GLN 55.A OE1 no hydrogen 3.493 N/A ARG 58.A NH2 ASP 19.A OD2 no hydrogen 2.933 N/A MET 59.A N LEU 56.A O no hydrogen 2.870 N/A LYS 61.A NZ TYR 101.A O no hydrogen 3.042 N/A ILE 64.A N ASN 60.A O no hydrogen 3.113 N/A LEU 65.A N LYS 61.A O no hydrogen 2.946 N/A VAL 66.A N GLU 62.A O no hydrogen 3.300 N/A PHE 67.A N GLU 63.A O no hydrogen 3.195 N/A ILE 68.A N ILE 64.A O no hydrogen 2.934 N/A LYS 69.A N LEU 65.A O no hydrogen 3.047 N/A SER 70.A N VAL 66.A O no hydrogen 2.775 N/A SER 70.A OG PHE 67.A O no hydrogen 3.007 N/A CYS 71.A N ILE 68.A O no hydrogen 2.936 N/A CYS 71.A SG PHE 67.A O no hydrogen 3.390 N/A GLN 72.A NE2 GLY 76.A O no hydrogen 2.739 N/A GLN 72.A NE2 ASN 108.A O no hydrogen 3.368 N/A HIS 73.A N GLY 77.A O no hydrogen 2.868 N/A HIS 73.A NE2 SER 79.A OG no hydrogen 2.978 N/A GLY 76.A N HIS 73.A O no hydrogen 2.719 N/A VAL 78.A N THR 91.A OG1 no hydrogen 3.031 N/A SER 79.A N CYS 71.A O no hydrogen 2.998 N/A SER 79.A OG CYS 71.A O no hydrogen 3.257 N/A SER 79.A OG HIS 73.A NE2 no hydrogen 2.978 N/A SER 79.A OG SER 81.A O no hydrogen 2.728 N/A SER 79.A OG HIS 84.A O no hydrogen 3.316 N/A SER 81.A OG GLU 36.A OE2 no hydrogen 3.442 N/A HIS 84.A N SER 81.A O no hydrogen 3.124 N/A HIS 87.A N VAL 78.A O no hydrogen 2.974 N/A LEU 88.A N GLY 128.A O no hydrogen 2.962 N/A LEU 89.A N HIS 87.A ND1 no hydrogen 2.978 N/A THR 91.A N HIS 87.A O no hydrogen 3.026 N/A THR 91.A OG1 VAL 78.A O no hydrogen 3.462 N/A THR 91.A OG1 HIS 87.A O no hydrogen 2.893 N/A LEU 92.A N LEU 88.A O no hydrogen 3.088 N/A SER 93.A N LEU 89.A O no hydrogen 3.273 N/A SER 93.A OG SER 41.A OG no hydrogen 2.973 N/A SER 93.A OG LEU 89.A O no hydrogen 3.386 N/A ALA 94.A N TYR 90.A O no hydrogen 3.072 N/A VAL 95.A N THR 91.A O no hydrogen 3.176 N/A GLN 96.A N LEU 92.A O no hydrogen 2.911 N/A GLN 96.A NE2 LEU 92.A O no hydrogen 3.530 N/A ILE 97.A N SER 93.A O no hydrogen 2.975 N/A LEU 98.A N ALA 94.A O no hydrogen 2.791 N/A THR 99.A N VAL 95.A O no hydrogen 2.725 N/A THR 99.A OG1 VAL 95.A O no hydrogen 2.702 N/A LEU 100.A N GLN 96.A O no hydrogen 2.733 N/A TYR 101.A N ILE 97.A O no hydrogen 2.917 N/A ASP 102.A N THR 99.A O no hydrogen 3.314 N/A SER 103.A N LEU 98.A O no hydrogen 2.847 N/A SER 103.A OG TYR 101.A O no hydrogen 2.918 N/A VAL 106.A N SER 103.A O no hydrogen 2.658 N/A ILE 107.A N ILE 104.A O no hydrogen 3.197 N/A ASN 108.A N GLN 72.A OE1 no hydrogen 2.926 N/A LYS 111.A N ASN 108.A O no hydrogen 3.152 N/A LYS 111.A NZ GLU 74.A O no hydrogen 2.987 N/A LYS 111.A NZ GLU 74.A OE2 no hydrogen 2.770 N/A VAL 112.A N ASN 108.A O no hydrogen 3.149 N/A VAL 113.A N VAL 109.A O no hydrogen 3.066 N/A ALA 114.A N ASP 110.A O no hydrogen 3.117 N/A TYR 115.A N LYS 111.A O no hydrogen 2.878 N/A VAL 116.A N VAL 112.A O no hydrogen 2.994 N/A GLN 117.A N VAL 113.A O no hydrogen 2.976 N/A GLN 117.A NE2 ALA 154.A O no hydrogen 2.478 N/A SER 118.A N ALA 114.A O no hydrogen 2.867 N/A SER 118.A N TYR 115.A O no hydrogen 3.062 N/A SER 118.A OG TYR 115.A O no hydrogen 2.748 N/A LEU 119.A N VAL 116.A O no hydrogen 3.304 N/A GLN 120.A N GLN 117.A O no hydrogen 3.357 N/A GLN 120.A NE2 GLY 124.A O no hydrogen 3.293 N/A GLN 120.A NE2 ASN 156.A O no hydrogen 2.937 N/A LYS 121.A N SER 125.A O no hydrogen 2.903 N/A GLY 124.A N LYS 121.A O no hydrogen 2.756 N/A SER 125.A N ASP 123.A OD1 no hydrogen 3.132 N/A SER 125.A OG ASP 123.A OD1 no hydrogen 2.583 N/A ALA 127.A N LEU 119.A O no hydrogen 3.125 N/A GLY 128.A N GLU 133.A O no hydrogen 3.097 N/A TRP 131.A N ASP 129.A OD1 no hydrogen 2.714 N/A GLY 132.A N ASP 129.A O no hydrogen 3.236 N/A THR 136.A N CYS 176.A O no hydrogen 2.850 N/A THR 136.A OG1 GLY 175.A O no hydrogen 2.848 N/A THR 136.A OG1 CYS 176.A O no hydrogen 3.450 N/A THR 136.A OG1 GLN 186.A OE1 no hydrogen 2.857 N/A ARG 137.A N ASP 135.A OD1 no hydrogen 2.957 N/A ARG 137.A NE ASP 135.A OD2 no hydrogen 2.931 N/A ARG 137.A NH2 ASP 135.A OD2 no hydrogen 2.560 N/A PHE 138.A N ASP 135.A O no hydrogen 2.837 N/A SER 139.A N ASP 135.A O no hydrogen 3.418 N/A PHE 140.A N THR 136.A O no hydrogen 3.018 N/A CYS 141.A N ARG 137.A O no hydrogen 2.948 N/A CYS 141.A SG ARG 137.A O no hydrogen 3.408 N/A ALA 142.A N PHE 138.A O no hydrogen 2.896 N/A VAL 143.A N SER 139.A O no hydrogen 3.178 N/A ALA 144.A N PHE 140.A O no hydrogen 3.013 N/A THR 145.A N CYS 141.A O no hydrogen 3.072 N/A THR 145.A OG1 CYS 141.A O no hydrogen 2.692 N/A LEU 146.A N ALA 142.A O no hydrogen 2.917 N/A ALA 147.A N VAL 143.A O no hydrogen 2.921 N/A LEU 148.A N ALA 144.A O no hydrogen 3.111 N/A LEU 149.A N LEU 146.A O no hydrogen 2.969 N/A GLY 150.A N ALA 147.A O no hydrogen 3.039 N/A LYS 151.A N LEU 146.A O no hydrogen 2.778 N/A ALA 154.A N LYS 151.A O no hydrogen 2.952 N/A ILE 155.A N LEU 152.A O no hydrogen 3.488 N/A ASN 156.A N GLN 120.A OE1 no hydrogen 3.019 N/A LYS 159.A N ASN 156.A OD1 no hydrogen 3.147 N/A ALA 160.A N ASN 156.A O no hydrogen 3.070 N/A ILE 161.A N VAL 157.A O no hydrogen 2.894 N/A GLU 162.A N GLU 158.A O no hydrogen 2.974 N/A PHE 163.A N LYS 159.A O no hydrogen 3.045 N/A VAL 164.A N ALA 160.A O no hydrogen 3.329 N/A LEU 165.A N ILE 161.A O no hydrogen 2.850 N/A SER 166.A N GLU 162.A O no hydrogen 3.004 N/A SER 166.A OG PHE 163.A O no hydrogen 2.612 N/A CYS 167.A N VAL 164.A O no hydrogen 2.912 N/A CYS 167.A SG PHE 163.A O no hydrogen 3.410 N/A MET 168.A N LEU 165.A O no hydrogen 3.137 N/A ASN 169.A N GLY 173.A O no hydrogen 2.863 N/A ASN 169.A ND2 SER 180.A O no hydrogen 2.822 N/A ASN 169.A ND2 SER 182.A OG no hydrogen 2.724 N/A GLY 172.A N ASN 169.A O no hydrogen 2.998 N/A GLY 173.A N ASP 171.A OD1 no hydrogen 3.165 N/A GLY 175.A N CYS 167.A O no hydrogen 3.257 N/A CYS 176.A SG ASP 135.A OD2 no hydrogen 3.695 N/A ARG 177.A NE ILE 134.A O no hydrogen 2.955 N/A ARG 177.A NH2 ILE 134.A O no hydrogen 3.006 N/A SER 180.A N ARG 177.A O no hydrogen 2.974 N/A SER 180.A OG ARG 177.A O no hydrogen 3.216 N/A SER 182.A OG ASP 171.A OD1 no hydrogen 2.638 N/A SER 182.A OG ASP 171.A OD2 no hydrogen 3.422 N/A HIS 183.A N PHE 174.A O no hydrogen 3.378 N/A HIS 183.A NE2 TYR 234.A OH no hydrogen 3.083 N/A ALA 184.A N GLY 224.A O no hydrogen 2.852 N/A GLN 186.A N HIS 183.A ND1 no hydrogen 3.346 N/A ILE 187.A N HIS 183.A O no hydrogen 3.048 N/A TYR 188.A N ALA 184.A O no hydrogen 3.042 N/A TYR 188.A OH PRO 304.A O no hydrogen 3.306 N/A CYS 189.A N GLY 185.A O no hydrogen 3.075 N/A CYS 189.A SG GLY 185.A O no hydrogen 3.523 N/A CYS 190.A N GLN 186.A O no hydrogen 2.938 N/A CYS 190.A SG GLN 186.A O no hydrogen 3.343 N/A THR 191.A N ILE 187.A O no hydrogen 2.695 N/A THR 191.A OG1 ILE 187.A O no hydrogen 2.863 N/A THR 191.A OG1 TYR 188.A O no hydrogen 3.263 N/A GLY 192.A N TYR 188.A O no hydrogen 2.877 N/A PHE 193.A N CYS 189.A O no hydrogen 2.981 N/A LEU 194.A N CYS 190.A O no hydrogen 2.919 N/A ALA 195.A N THR 191.A O no hydrogen 2.756 N/A ILE 196.A N GLY 192.A O no hydrogen 2.989 N/A THR 197.A N PHE 193.A O no hydrogen 3.140 N/A THR 197.A OG1 PHE 193.A O no hydrogen 2.613 N/A SER 198.A N ALA 195.A O no hydrogen 3.146 N/A GLN 199.A N LEU 194.A O no hydrogen 2.824 N/A GLN 199.A NE2 THR 197.A O no hydrogen 3.683 N/A GLN 202.A N GLN 199.A O no hydrogen 2.945 N/A GLN 202.A NE2 GLN 199.A OE1 no hydrogen 2.522 N/A VAL 203.A N LEU 200.A O no hydrogen 3.190 N/A SER 205.A OG ILE 245.A O no hydrogen 3.455 N/A LEU 207.A N ASN 204.A OD1 no hydrogen 3.169 N/A LEU 208.A N ASN 204.A O no hydrogen 2.904 N/A GLY 209.A N SER 205.A O no hydrogen 2.873 N/A TRP 210.A N ASP 206.A O no hydrogen 3.217 N/A TRP 210.A N LEU 207.A O no hydrogen 3.218 N/A TRP 210.A NE1 GLU 214.A OE1 no hydrogen 3.124 N/A TRP 211.A N LEU 207.A O no hydrogen 3.158 N/A LEU 212.A N LEU 208.A O no hydrogen 2.822 N/A CYS 213.A N GLY 209.A O no hydrogen 2.822 N/A CYS 213.A SG TRP 210.A O no hydrogen 3.449 N/A GLU 214.A N TRP 210.A O no hydrogen 2.933 N/A ARG 215.A N LEU 212.A O no hydrogen 3.075 N/A GLN 216.A N CYS 213.A O no hydrogen 3.163 N/A GLN 216.A NE2 GLY 220.A O no hydrogen 3.032 N/A GLN 216.A NE2 ASP 252.A O no hydrogen 3.066 N/A LEU 217.A N GLY 221.A O no hydrogen 2.811 N/A GLY 220.A N LEU 217.A O no hydrogen 2.656 N/A LEU 222.A N SER 235.A OG no hydrogen 3.159 N/A ASN 223.A N ARG 215.A O no hydrogen 2.971 N/A ASN 223.A ND2 LYS 228.A O no hydrogen 2.867 N/A ARG 225.A NH1 GLU 181.A OE2 no hydrogen 3.164 N/A LYS 228.A N ARG 225.A O no hydrogen 3.314 N/A ASP 231.A N LEU 222.A O no hydrogen 2.886 N/A VAL 232.A N ASP 273.A O no hydrogen 3.113 N/A CYS 233.A N ASP 231.A OD1 no hydrogen 2.637 N/A TYR 234.A N ASP 231.A OD1 no hydrogen 3.086 N/A TYR 234.A OH HIS 183.A NE2 no hydrogen 3.083 N/A SER 235.A N ASP 231.A O no hydrogen 2.763 N/A SER 235.A OG ASP 231.A O no hydrogen 2.629 N/A TRP 236.A N VAL 232.A O no hydrogen 3.090 N/A TRP 237.A N CYS 233.A O no hydrogen 3.079 N/A VAL 238.A N TYR 234.A O no hydrogen 3.133 N/A LEU 239.A N SER 235.A O no hydrogen 3.309 N/A ALA 240.A N TRP 236.A O no hydrogen 2.812 N/A SER 241.A N TRP 237.A O no hydrogen 2.973 N/A SER 241.A OG TRP 237.A O no hydrogen 2.771 N/A LEU 242.A N VAL 238.A O no hydrogen 2.794 N/A LYS 243.A N LEU 239.A O no hydrogen 2.778 N/A ILE 244.A N ALA 240.A O no hydrogen 2.848 N/A ILE 245.A N SER 241.A O no hydrogen 3.255 N/A ILE 245.A N LEU 242.A O no hydrogen 3.261 N/A GLY 246.A N LYS 243.A O no hydrogen 3.197 N/A ARG 247.A N LEU 242.A O no hydrogen 2.795 N/A ARG 247.A NE ASP 206.A OD2 no hydrogen 3.109 N/A ARG 247.A NH1 GLY 246.A O no hydrogen 3.193 N/A ARG 247.A NH1 SER 324.A OXT no hydrogen 3.212 N/A ARG 247.A NH2 ASP 206.A OD2 no hydrogen 3.021 N/A TRP 250.A N ARG 247.A O no hydrogen 2.879 N/A ILE 251.A N LEU 248.A O no hydrogen 3.340 N/A ASP 252.A N GLN 216.A OE1 no hydrogen 3.027 N/A LYS 255.A N ASP 252.A OD1 no hydrogen 3.046 N/A LYS 255.A NZ PRO 218.A O no hydrogen 2.581 N/A LEU 256.A N ARG 253.A O no hydrogen 3.188 N/A ARG 257.A N ARG 253.A O no hydrogen 2.979 N/A ARG 257.A NH1 GLU 296.A OE1 no hydrogen 2.977 N/A SER 258.A N GLU 254.A O no hydrogen 3.250 N/A SER 258.A OG GLU 254.A O no hydrogen 2.891 N/A PHE 259.A N LYS 255.A O no hydrogen 3.447 N/A ILE 260.A N LEU 256.A O no hydrogen 2.951 N/A LEU 261.A N ARG 257.A O no hydrogen 2.907 N/A ALA 262.A N SER 258.A O no hydrogen 2.871 N/A CYS 263.A N ILE 260.A O no hydrogen 3.109 N/A CYS 263.A SG PHE 259.A O no hydrogen 3.367 N/A GLN 264.A N LEU 261.A O no hydrogen 3.229 N/A GLN 264.A NE2 THR 11.A O no hydrogen 2.911 N/A GLN 264.A NE2 LEU 261.A O no hydrogen 2.838 N/A ASP 265.A N GLY 270.A O no hydrogen 3.288 N/A GLU 267.A N ASP 265.A OD1 no hydrogen 2.772 N/A THR 268.A N ASP 265.A OD1 no hydrogen 2.690 N/A THR 268.A OG1 GLY 269.A O no hydrogen 2.899 N/A GLY 269.A N ASP 265.A O no hydrogen 3.183 N/A PHE 271.A N THR 284.A OG1 no hydrogen 2.867 N/A ALA 272.A N CYS 263.A O no hydrogen 3.061 N/A ARG 274.A NE PRO 230.A O no hydrogen 3.130 N/A ARG 274.A NH2 PRO 230.A O no hydrogen 3.428 N/A ASP 277.A N ARG 274.A O no hydrogen 3.117 N/A ASP 280.A N PHE 271.A O no hydrogen 2.855 N/A HIS 283.A N ASP 280.A OD1 no hydrogen 2.876 N/A HIS 283.A ND1 ASP 280.A OD1 no hydrogen 3.059 N/A HIS 283.A ND1 ASP 280.A OD2 no hydrogen 2.718 N/A THR 284.A N ASP 280.A O no hydrogen 3.001 N/A THR 284.A OG1 ASP 280.A O no hydrogen 2.314 N/A LEU 285.A N PRO 281.A O no hydrogen 2.955 N/A PHE 286.A N PHE 282.A O no hydrogen 3.200 N/A GLY 287.A N HIS 283.A O no hydrogen 2.958 N/A ILE 288.A N THR 284.A O no hydrogen 3.170 N/A ALA 289.A N LEU 285.A O no hydrogen 2.796 N/A GLY 290.A N PHE 286.A O no hydrogen 2.954 N/A LEU 291.A N GLY 287.A O no hydrogen 2.979 N/A SER 292.A N ILE 288.A O no hydrogen 2.910 N/A SER 292.A OG LYS 300.A O no hydrogen 2.596 N/A LEU 293.A N ALA 289.A O no hydrogen 2.851 N/A LEU 294.A N GLY 290.A O no hydrogen 3.012 N/A GLY 295.A N LEU 291.A O no hydrogen 3.063 N/A GLY 295.A N SER 292.A O no hydrogen 3.012 N/A GLU 296.A N LEU 291.A O no hydrogen 3.118 N/A GLU 297.A N GLU 297.A OE1 no hydrogen 2.969 N/A GLN 298.A N GLU 296.A OE2 no hydrogen 3.257 N/A ILE 299.A N GLU 296.A O no hydrogen 3.357 N/A LYS 300.A N LEU 52.A O no hydrogen 2.814 N/A LYS 300.A NZ ASP 51.A O no hydrogen 2.778 N/A LYS 300.A NZ GLU 311.A OE1 no hydrogen 3.289 N/A SER 303.A N MET 308.A O no hydrogen 2.919 N/A PHE 306.A N SER 303.A OG no hydrogen 3.016 N/A GLU 310.A N PRO 301.A O no hydrogen 3.014 N/A LEU 313.A N PRO 309.A O no hydrogen 3.363 N/A GLN 314.A N GLU 310.A O no hydrogen 2.757 N/A ARG 315.A N GLU 311.A O no hydrogen 3.357 N/A ARG 315.A NH1 THR 99.A O no hydrogen 3.029 N/A ARG 315.A NH2 THR 99.A O no hydrogen 3.491 N/A VAL 316.A N VAL 312.A O no hydrogen 3.426 N/A VAL 318.A N LEU 313.A O no hydrogen 3.199 N/A GLN 319.A NE2 GLU 310.A OE2 no hydrogen 3.178 N/A VAL 323.A N ILE 244.A O no hydrogen 2.864 N/A