Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2ivp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N GLU 20.A OE1 no hydrogen 2.960 N/A MET 1.A N GLU 20.A OE2 no hydrogen 3.488 N/A LEU 2.A N ASP 70.A OD2 no hydrogen 3.323 N/A ALA 3.A N VAL 18.A O no hydrogen 3.055 N/A LEU 4.A N VAL 71.A O no hydrogen 3.034 N/A GLY 5.A N GLY 16.A O no hydrogen 2.828 N/A ILE 6.A N ALA 73.A O no hydrogen 2.772 N/A GLU 7.A N GLY 14.A O no hydrogen 2.808 N/A GLY 8.A N SER 75.A OG no hydrogen 3.132 N/A THR 9.A N GLU 7.A OE2 no hydrogen 3.156 N/A THR 9.A OG1 GLU 7.A OE2 no hydrogen 2.807 N/A LEU 13.A N ASP 29.A O no hydrogen 2.934 N/A GLY 14.A N GLU 7.A O no hydrogen 2.928 N/A ILE 15.A N VAL 27.A O no hydrogen 2.944 N/A GLY 16.A N GLY 5.A O no hydrogen 3.037 N/A ILE 17.A N ALA 25.A O no hydrogen 2.857 N/A VAL 18.A N ALA 3.A O no hydrogen 3.151 N/A SER 19.A N LYS 22.A O no hydrogen 2.753 N/A GLU 20.A N GLU 20.A OE1 no hydrogen 2.836 N/A ASP 21.A N SER 19.A OG no hydrogen 3.210 N/A LYS 22.A N SER 19.A OG no hydrogen 2.843 N/A LEU 24.A N ILE 17.A O no hydrogen 2.694 N/A ALA 25.A N ILE 17.A O no hydrogen 3.195 N/A ASN 26.A ND2 ASP 281.A O no hydrogen 3.176 N/A VAL 27.A N ILE 15.A O no hydrogen 2.991 N/A ASP 29.A N LEU 13.A O no hydrogen 2.923 N/A LEU 31.A N HIS 11.A O no hydrogen 2.913 N/A GLY 36.A N THR 33.A O no hydrogen 3.482 N/A HIS 39.A N HIS 11.A NE2 no hydrogen 3.232 N/A GLU 42.A N GLU 42.A OE1 no hydrogen 2.753 N/A ALA 43.A N HIS 39.A O no hydrogen 3.034 N/A ALA 44.A N PRO 40.A O no hydrogen 3.263 N/A GLU 45.A N LYS 41.A O no hydrogen 3.164 N/A HIS 46.A N GLU 42.A O no hydrogen 3.092 N/A HIS 46.A NE2 ASP 29.A OD1 no hydrogen 2.814 N/A HIS 47.A N ALA 43.A O no hydrogen 2.864 N/A ALA 48.A N ALA 44.A O no hydrogen 2.969 N/A ARG 49.A N GLU 45.A O no hydrogen 3.009 N/A LEU 50.A N HIS 46.A O no hydrogen 2.862 N/A LEU 54.A N LEU 50.A O no hydrogen 3.024 N/A LEU 55.A N MET 51.A O no hydrogen 3.065 N/A ARG 56.A N LYS 52.A O no hydrogen 2.989 N/A LYS 57.A N PRO 53.A O no hydrogen 3.086 N/A ALA 58.A N LEU 54.A O no hydrogen 2.871 N/A LEU 59.A N LEU 55.A O no hydrogen 2.991 N/A SER 60.A N ARG 56.A O no hydrogen 3.019 N/A GLU 61.A N LYS 57.A O no hydrogen 2.962 N/A ALA 62.A N ALA 58.A O no hydrogen 2.960 N/A GLY 63.A N LEU 59.A O no hydrogen 2.804 N/A VAL 64.A N LEU 59.A O no hydrogen 3.364 N/A SER 65.A N ASP 68.A OD2 no hydrogen 2.574 N/A SER 65.A OG ASP 68.A OD2 no hydrogen 3.024 N/A ASP 67.A N SER 65.A OG no hydrogen 3.318 N/A ASP 68.A N SER 65.A O no hydrogen 3.095 N/A ASP 70.A N LEU 2.A O no hydrogen 2.893 N/A ILE 72.A N PRO 101.A O no hydrogen 3.038 N/A ALA 73.A N LEU 4.A O no hydrogen 2.713 N/A PHE 74.A N VAL 103.A O no hydrogen 3.175 N/A SER 75.A N ILE 6.A O no hydrogen 2.948 N/A GLN 76.A N VAL 105.A O no hydrogen 2.894 N/A GLN 76.A NE2 GLU 308.A O no hydrogen 2.792 N/A GLN 76.A NE2 ILE 310.A O no hydrogen 2.910 N/A GLY 79.A N GLN 313.A O no hydrogen 3.168 N/A LEU 80.A N THR 9.A O no hydrogen 2.946 N/A LEU 84.A N LEU 80.A O no hydrogen 2.862 N/A ARG 85.A N GLY 81.A O no hydrogen 2.856 N/A VAL 86.A N PRO 82.A O no hydrogen 3.372 N/A VAL 87.A N ALA 83.A O no hydrogen 3.239 N/A ALA 88.A N LEU 84.A O no hydrogen 2.825 N/A THR 89.A N ARG 85.A O no hydrogen 3.176 N/A THR 89.A OG1 ARG 85.A O no hydrogen 2.664 N/A ALA 90.A N VAL 86.A O no hydrogen 3.171 N/A ALA 91.A N VAL 87.A O no hydrogen 3.003 N/A ARG 92.A N ALA 88.A O no hydrogen 2.865 N/A ARG 92.A NH1 THR 309.A OG1 no hydrogen 3.107 N/A ALA 93.A N THR 89.A O no hydrogen 2.838 N/A LEU 94.A N ALA 90.A O no hydrogen 3.053 N/A ALA 95.A N ALA 91.A O no hydrogen 3.015 N/A VAL 96.A N ARG 92.A O no hydrogen 3.158 N/A LYS 97.A N ALA 93.A O no hydrogen 3.176 N/A TYR 98.A N LEU 94.A O no hydrogen 3.140 N/A ARG 99.A N VAL 96.A O no hydrogen 3.143 N/A LYS 100.A N ALA 95.A O no hydrogen 2.855 N/A LYS 100.A NZ ASP 67.A O no hydrogen 3.404 N/A LYS 100.A NZ ILE 69.A O no hydrogen 2.985 N/A VAL 103.A N ILE 72.A O no hydrogen 2.979 N/A VAL 105.A N PHE 74.A O no hydrogen 2.798 N/A HIS 107.A N GLY 77.A O no hydrogen 2.790 N/A HIS 107.A ND1 GLU 7.A OE1 no hydrogen 2.803 N/A CYS 108.A SG GLN 134.A OE1 no hydrogen 3.641 N/A ILE 109.A N ASN 106.A OD1 no hydrogen 3.220 N/A ALA 110.A N ASN 106.A O no hydrogen 3.042 N/A HIS 111.A N HIS 107.A O no hydrogen 3.348 N/A HIS 111.A NE2 HIS 107.A NE2 no hydrogen 3.059 N/A HIS 111.A NE2 ASP 285.A OD1 no hydrogen 3.193 N/A VAL 112.A N ILE 109.A O no hydrogen 3.193 N/A GLU 113.A N ILE 109.A O no hydrogen 2.896 N/A ILE 114.A N ALA 110.A O no hydrogen 3.241 N/A THR 115.A N VAL 112.A O no hydrogen 3.216 N/A THR 115.A OG1 VAL 112.A O no hydrogen 2.548 N/A LYS 116.A N GLU 113.A O no hydrogen 2.943 N/A LYS 116.A NZ LYS 121.A O no hydrogen 2.923 N/A MET 117.A N ILE 114.A O no hydrogen 3.096 N/A PHE 118.A N THR 115.A O no hydrogen 3.094 N/A GLY 119.A N LYS 116.A O no hydrogen 3.324 N/A VAL 120.A N THR 115.A O no hydrogen 3.373 N/A LYS 121.A N GLU 247.A OE2 no hydrogen 2.843 N/A ASP 122.A N GLU 247.A OE2 no hydrogen 2.635 N/A VAL 124.A N GLU 247.A O no hydrogen 3.080 N/A GLY 125.A N LEU 136.A O no hydrogen 2.747 N/A LEU 126.A N VAL 249.A O no hydrogen 2.728 N/A TYR 127.A N GLN 134.A O no hydrogen 2.861 N/A TYR 127.A OH ASN 132.A OD1 no hydrogen 2.828 N/A VAL 128.A N VAL 251.A O no hydrogen 2.941 N/A SER 129.A N ASN 132.A O no hydrogen 2.880 N/A SER 129.A OG ASN 132.A O no hydrogen 3.150 N/A ASN 132.A N SER 129.A OG no hydrogen 3.249 N/A THR 133.A OG1 ASN 132.A O no hydrogen 2.738 N/A GLN 134.A N TYR 127.A O no hydrogen 2.838 N/A GLN 134.A NE2 GLU 148.A OE1 no hydrogen 2.761 N/A VAL 135.A N GLY 147.A O no hydrogen 2.769 N/A LEU 136.A N GLY 125.A O no hydrogen 2.966 N/A ALA 137.A N ARG 144.A O no hydrogen 3.198 N/A GLU 139.A N ARG 142.A O no hydrogen 2.861 N/A ARG 142.A NH1 ASP 318.A O no hydrogen 3.369 N/A TYR 143.A OH GLU 113.A OE2 no hydrogen 2.512 N/A ARG 144.A N ALA 137.A O no hydrogen 2.783 N/A ARG 144.A NH1 GLU 139.A OE1 no hydrogen 3.129 N/A PHE 146.A N VAL 135.A O no hydrogen 2.822 N/A GLU 148.A N ASP 196.A OD1 no hydrogen 2.949 N/A THR 149.A N THR 133.A O no hydrogen 2.970 N/A THR 149.A OG1 ILE 152.A O no hydrogen 2.450 N/A THR 149.A OG1 LEU 197.A O no hydrogen 3.565 N/A LEU 150.A N LEU 197.A O no hydrogen 2.573 N/A ASP 151.A N THR 149.A OG1 no hydrogen 3.362 N/A ILE 152.A N ASP 151.A OD1 no hydrogen 2.730 N/A ILE 154.A N THR 133.A OG1 no hydrogen 2.835 N/A GLY 155.A N SER 129.A O no hydrogen 2.787 N/A ASN 156.A N GLY 130.A O no hydrogen 2.959 N/A ALA 157.A N GLY 153.A O no hydrogen 2.964 N/A ILE 158.A N ILE 154.A O no hydrogen 2.964 N/A ASP 159.A N GLY 155.A O no hydrogen 2.919 N/A VAL 160.A N ASN 156.A O no hydrogen 2.852 N/A PHE 161.A N ALA 157.A O no hydrogen 3.139 N/A ALA 162.A N ILE 158.A O no hydrogen 2.810 N/A ARG 163.A N ASP 159.A O no hydrogen 2.926 N/A GLU 164.A N VAL 160.A O no hydrogen 3.125 N/A LEU 165.A N PHE 161.A O no hydrogen 3.031 N/A GLY 166.A N ARG 163.A O no hydrogen 3.193 N/A LEU 167.A N ALA 162.A O no hydrogen 2.808 N/A GLY 171.A N ASP 159.A OD1 no hydrogen 3.234 N/A LYS 174.A NZ GLY 168.A O no hydrogen 3.323 N/A LYS 174.A NZ PRO 170.A O no hydrogen 3.111 N/A VAL 175.A N GLY 171.A O no hydrogen 2.853 N/A GLU 176.A N GLY 172.A O no hydrogen 3.070 N/A LYS 177.A N PRO 173.A O no hydrogen 2.978 N/A LEU 178.A N LYS 174.A O no hydrogen 3.082 N/A ALA 179.A N VAL 175.A O no hydrogen 2.843 N/A GLU 180.A N GLU 176.A O no hydrogen 3.123 N/A GLU 180.A N LYS 177.A O no hydrogen 3.184 N/A LYS 181.A N LEU 178.A O no hydrogen 3.270 N/A GLY 182.A N ALA 179.A O no hydrogen 3.118 N/A GLU 183.A N ASP 219.A OD1 no hydrogen 2.678 N/A LYS 184.A N ASP 219.A OD1 no hydrogen 3.143 N/A TYR 185.A OH THR 227.A OG1 no hydrogen 3.056 N/A ILE 186.A N SER 223.A OG no hydrogen 2.793 N/A TYR 190.A OH GLU 234.A OE1 no hydrogen 2.414 N/A LYS 193.A N ASP 196.A O no hydrogen 2.830 N/A ASP 196.A N LYS 193.A O no hydrogen 3.124 N/A LEU 197.A N GLU 148.A O no hydrogen 2.885 N/A SER 198.A N ALA 191.A O no hydrogen 2.862 N/A SER 198.A OG ASP 151.A OD2 no hydrogen 2.869 N/A PHE 199.A N ASP 151.A OD1 no hydrogen 3.173 N/A SER 200.A N ASP 151.A OD2 no hydrogen 3.212 N/A LEU 203.A N PHE 199.A O no hydrogen 2.774 N/A THR 204.A N SER 200.A O no hydrogen 3.078 N/A THR 204.A OG1 SER 200.A O no hydrogen 3.365 N/A THR 204.A OG1 GLY 201.A O no hydrogen 3.192 N/A GLU 205.A N GLY 201.A O no hydrogen 3.227 N/A ALA 206.A N LEU 202.A O no hydrogen 3.017 N/A ILE 207.A N LEU 203.A O no hydrogen 3.000 N/A ARG 208.A N THR 204.A O no hydrogen 2.971 N/A ARG 208.A NE GLU 205.A OE1 no hydrogen 3.051 N/A ARG 208.A NE GLU 205.A OE2 no hydrogen 3.508 N/A ARG 208.A NH2 GLU 205.A OE1 no hydrogen 2.894 N/A LYS 209.A N GLU 205.A O no hydrogen 2.886 N/A LYS 209.A NZ GLU 187.A O no hydrogen 3.556 N/A LYS 209.A NZ GLU 187.A OE1 no hydrogen 2.479 N/A LYS 209.A NZ TYR 215.A OH no hydrogen 3.406 N/A TYR 210.A N ALA 206.A O no hydrogen 2.883 N/A ARG 211.A N ILE 207.A O no hydrogen 2.899 N/A ARG 211.A NE GLU 164.A OE2 no hydrogen 2.751 N/A ARG 211.A NH2 GLU 164.A OE1 no hydrogen 3.161 N/A ARG 211.A NH2 GLU 164.A OE2 no hydrogen 3.372 N/A SER 212.A N LYS 209.A O no hydrogen 3.346 N/A SER 212.A OG LYS 209.A O no hydrogen 2.636 N/A GLY 213.A N TYR 210.A O no hydrogen 3.344 N/A LYS 214.A N SER 212.A OG no hydrogen 3.253 N/A ARG 216.A NH1 LYS 181.A O no hydrogen 3.293 N/A ARG 216.A NH2 LYS 181.A O no hydrogen 3.022 N/A GLU 218.A N GLU 218.A OE1 no hydrogen 2.695 N/A LEU 220.A N ARG 216.A O no hydrogen 2.968 N/A ALA 221.A N VAL 217.A O no hydrogen 2.880 N/A TYR 222.A N GLU 218.A O no hydrogen 3.069 N/A SER 223.A N ASP 219.A O no hydrogen 2.996 N/A SER 223.A OG ASP 219.A O no hydrogen 2.790 N/A PHE 224.A N LEU 220.A O no hydrogen 2.857 N/A GLN 225.A N ALA 221.A O no hydrogen 3.080 N/A GLU 226.A N TYR 222.A O no hydrogen 3.045 N/A THR 227.A N SER 223.A O no hydrogen 3.172 N/A THR 227.A OG1 TYR 185.A OH no hydrogen 3.056 N/A THR 227.A OG1 SER 223.A O no hydrogen 2.847 N/A ALA 228.A N PHE 224.A O no hydrogen 3.122 N/A PHE 229.A N GLN 225.A O no hydrogen 2.801 N/A ALA 230.A N GLU 226.A O no hydrogen 2.893 N/A ALA 231.A N THR 227.A O no hydrogen 3.434 N/A LEU 232.A N ALA 228.A O no hydrogen 3.315 N/A VAL 233.A N PHE 229.A O no hydrogen 2.875 N/A GLU 234.A N ALA 230.A O no hydrogen 2.941 N/A VAL 235.A N ALA 231.A O no hydrogen 3.102 N/A THR 236.A N LEU 232.A O no hydrogen 3.037 N/A THR 236.A OG1 LEU 232.A O no hydrogen 2.559 N/A GLU 237.A N VAL 233.A O no hydrogen 2.827 N/A ARG 238.A N GLU 234.A O no hydrogen 3.040 N/A ARG 238.A NH1 GLY 194.A O no hydrogen 2.999 N/A ALA 239.A N VAL 235.A O no hydrogen 3.435 N/A VAL 240.A N THR 236.A O no hydrogen 3.039 N/A ALA 241.A N GLU 237.A O no hydrogen 2.912 N/A HIS 242.A N ARG 238.A O no hydrogen 3.079 N/A HIS 242.A NE2 GLU 139.A OE2 no hydrogen 2.843 N/A THR 243.A N ALA 239.A O no hydrogen 2.835 N/A THR 243.A OG1 ALA 239.A O no hydrogen 2.741 N/A THR 243.A OG1 VAL 240.A O no hydrogen 3.540 N/A GLU 244.A N VAL 240.A O no hydrogen 2.812 N/A LYS 245.A NZ ASP 122.A OD1 no hydrogen 2.958 N/A LYS 245.A NZ ASP 122.A OD2 no hydrogen 2.783 N/A LYS 245.A NZ LEU 138.A O no hydrogen 3.078 N/A VAL 248.A N LYS 274.A O no hydrogen 3.181 N/A VAL 249.A N VAL 124.A O no hydrogen 2.889 N/A LEU 250.A N PHE 276.A O no hydrogen 3.334 N/A VAL 251.A N LEU 126.A O no hydrogen 2.916 N/A VAL 254.A N VAL 128.A O no hydrogen 3.103 N/A ALA 255.A N GLY 252.A O no hydrogen 2.794 N/A ASN 257.A N VAL 254.A O no hydrogen 2.957 N/A ASN 258.A N GLU 176.A OE2 no hydrogen 2.816 N/A ARG 259.A NE GLU 226.A OE2 no hydrogen 2.678 N/A ARG 259.A NH1 GLU 262.A OE1 no hydrogen 3.047 N/A ARG 259.A NH2 GLU 226.A OE1 no hydrogen 2.804 N/A ARG 259.A NH2 GLU 226.A OE2 no hydrogen 3.382 N/A LEU 260.A N ASN 257.A OD1 no hydrogen 2.917 N/A ARG 261.A N ASN 257.A O no hydrogen 3.155 N/A ARG 261.A NE ALA 255.A O no hydrogen 3.122 N/A ARG 261.A NH2 ALA 255.A O no hydrogen 3.192 N/A GLU 262.A N ASN 258.A O no hydrogen 3.022 N/A MET 263.A N ARG 259.A O no hydrogen 3.137 N/A LEU 264.A N LEU 260.A O no hydrogen 3.001 N/A ARG 265.A N ARG 261.A O no hydrogen 2.795 N/A ILE 266.A N GLU 262.A O no hydrogen 3.052 N/A MET 267.A N MET 263.A O no hydrogen 3.161 N/A THR 268.A N LEU 264.A O no hydrogen 2.863 N/A THR 268.A OG1 LEU 264.A O no hydrogen 2.940 N/A THR 268.A OG1 ARG 265.A O no hydrogen 3.141 N/A GLU 269.A N ARG 265.A O no hydrogen 2.980 N/A ASP 270.A N ILE 266.A O no hydrogen 2.952 N/A ARG 271.A N THR 268.A O no hydrogen 3.267 N/A ARG 271.A NH1 GLU 237.A OE2 no hydrogen 3.342 N/A GLY 272.A N GLU 269.A O no hydrogen 3.101 N/A ILE 273.A N THR 268.A O no hydrogen 2.883 N/A LYS 274.A N ASP 246.A O no hydrogen 2.926 N/A PHE 276.A N VAL 248.A O no hydrogen 3.195 N/A TYR 280.A OH GLY 253.A O no hydrogen 2.599 N/A LEU 282.A N PRO 279.A O no hydrogen 2.798 N/A CYS 283.A N TYR 280.A O no hydrogen 2.917 N/A CYS 283.A SG PRO 278.A O no hydrogen 3.267 N/A CYS 283.A SG PRO 279.A O no hydrogen 3.927 N/A ARG 284.A N TYR 280.A O no hydrogen 3.313 N/A ALA 291.A N GLY 287.A O no hydrogen 3.024 N/A TYR 292.A N ALA 288.A O no hydrogen 2.863 N/A THR 293.A N MET 289.A O no hydrogen 3.142 N/A THR 293.A OG1 MET 289.A O no hydrogen 3.082 N/A GLY 294.A N ILE 290.A O no hydrogen 2.842 N/A LEU 295.A N ALA 291.A O no hydrogen 2.847 N/A ARG 296.A N TYR 292.A O no hydrogen 3.049 N/A ARG 296.A NH2 TYR 292.A OH no hydrogen 3.171 N/A MET 297.A N THR 293.A O no hydrogen 2.947 N/A TYR 298.A N GLY 294.A O no hydrogen 2.991 N/A LYS 299.A N LEU 295.A O no hydrogen 2.952 N/A LYS 299.A NZ GLU 20.A OE2 no hydrogen 2.859 N/A ALA 300.A N ARG 296.A O no hydrogen 3.132 N/A ALA 300.A N MET 297.A O no hydrogen 3.191 N/A GLY 301.A N TYR 298.A O no hydrogen 2.812 N/A ILE 302.A N MET 297.A O no hydrogen 2.999 N/A PHE 304.A N ILE 102.A O no hydrogen 2.977 N/A ARG 305.A N GLU 308.A OE1 no hydrogen 3.177 N/A ARG 305.A NE GLU 307.A OE2 no hydrogen 2.961 N/A ARG 305.A NH2 GLU 307.A OE2 no hydrogen 3.176 N/A GLU 307.A N GLU 307.A OE1 no hydrogen 2.665 N/A GLU 308.A N ARG 305.A O no hydrogen 2.952 N/A THR 309.A N LEU 306.A O no hydrogen 3.152 N/A THR 309.A OG1 LEU 306.A O no hydrogen 2.640 N/A LYS 312.A N GLN 76.A O no hydrogen 2.959 N/A PHE 315.A N LYS 312.A O no hydrogen 3.302 N/A ARG 316.A N GLU 319.A OE1 no hydrogen 3.253 N/A THR 317.A OG1 GLN 134.A OE1 no hydrogen 3.372 N/A GLU 319.A N ARG 316.A O no hydrogen 3.112 N/A ILE 322.A N GLY 141.A O no hydrogen 2.952 N/A VAL 323.A N GLU 321.A O no hydrogen 2.960 N/A TRP 324.A NE1 GLU 113.A OE1 no hydrogen 3.144 N/A