Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ubo_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A N GLN 144.A O no hydrogen 2.587 N/A TYR 3.A N GLN 144.A O no hydrogen 2.796 N/A ASP 4.A N ARG 71.A O no hydrogen 2.863 N/A VAL 5.A N ARG 71.A O no hydrogen 2.989 N/A LEU 6.A N VAL 147.A O no hydrogen 2.982 N/A THR 7.A N ALA 73.A O no hydrogen 2.744 N/A THR 7.A OG1 ALA 58.A O no hydrogen 2.683 N/A ILE 8.A N TYR 149.A O no hydrogen 2.702 N/A GLY 9.A N PHE 75.A O no hydrogen 3.511 N/A ASN 10.A N GLU 151.A OE2 no hydrogen 2.585 N/A ASN 10.A ND2 TYR 153.A O no hydrogen 3.034 N/A VAL 13.A N ALA 110.A O no hydrogen 3.109 N/A ASP 14.A N ALA 53.A O no hydrogen 2.926 N/A ILE 15.A N SER 112.A O no hydrogen 2.841 N/A ILE 16.A N VAL 51.A O no hydrogen 2.913 N/A ALA 17.A N ILE 113.A O no hydrogen 3.084 N/A CYS 19.A N VAL 115.A O no hydrogen 3.204 N/A CYS 19.A SG ASP 20.A O no hydrogen 3.441 N/A PHE 23.A N ASP 20.A OD1 no hydrogen 3.400 N/A LEU 24.A N ASP 21.A O no hydrogen 2.857 N/A GLU 25.A N ASP 21.A O no hydrogen 3.410 N/A GLU 26.A N SER 22.A O no hydrogen 2.789 N/A ASN 27.A N PHE 23.A O no hydrogen 3.153 N/A ASN 27.A ND2 PHE 23.A O no hydrogen 2.760 N/A GLY 28.A N GLU 25.A O no hydrogen 2.951 N/A ILE 29.A N LEU 24.A O no hydrogen 2.931 N/A ILE 30.A N ASN 34.A OD1 no hydrogen 2.936 N/A LYS 31.A NZ ASP 21.A OD1 no hydrogen 3.170 N/A LYS 31.A NZ ASP 118.A OD2 no hydrogen 2.623 N/A GLY 32.A N SER 122.A OG no hydrogen 2.919 N/A ALA 33.A N ILE 30.A O no hydrogen 3.401 N/A ASN 34.A ND2 ILE 30.A O no hydrogen 3.667 N/A ILE 36.A N THR 124.A O no hydrogen 2.937 N/A ARG 40.A N ASN 37.A OD1 no hydrogen 2.749 N/A ARG 40.A NH2 ASN 27.A O no hydrogen 2.780 N/A ALA 41.A N ASN 37.A O no hydrogen 3.064 N/A GLU 42.A N ALA 38.A O no hydrogen 3.052 N/A LEU 43.A N ASP 39.A O no hydrogen 2.779 N/A LEU 44.A N ARG 40.A O no hydrogen 2.987 N/A TYR 45.A N ALA 41.A O no hydrogen 3.012 N/A SER 46.A N GLU 42.A O no hydrogen 3.160 N/A SER 46.A OG LEU 43.A O no hydrogen 2.659 N/A ARG 47.A N LEU 43.A O no hydrogen 3.284 N/A ARG 47.A NH1 ASN 27.A OD1 no hydrogen 2.811 N/A VAL 51.A N ILE 16.A O no hydrogen 2.882 N/A ALA 53.A N ASP 14.A O no hydrogen 2.811 N/A SER 54.A OG ASP 90.A OD2 no hydrogen 2.370 N/A GLY 55.A N ILE 12.A O no hydrogen 2.872 N/A SER 57.A OG ASP 271.A OD1 no hydrogen 2.862 N/A ALA 58.A N GLU 151.A OE1 no hydrogen 2.713 N/A ASN 60.A N GLY 56.A O no hydrogen 2.964 N/A ASN 60.A N SER 57.A O no hydrogen 3.102 N/A ASN 60.A ND2 ASP 271.A OD2 no hydrogen 3.125 N/A THR 61.A N SER 57.A O no hydrogen 3.253 N/A THR 61.A OG1 SER 57.A O no hydrogen 3.495 N/A THR 61.A OG1 ASP 271.A O no hydrogen 2.726 N/A ALA 62.A N ALA 58.A O no hydrogen 3.211 N/A ALA 63.A N GLY 59.A O no hydrogen 3.170 N/A GLY 64.A N ASN 60.A O no hydrogen 2.670 N/A VAL 65.A N THR 61.A O no hydrogen 3.155 N/A ALA 66.A N ALA 62.A O no hydrogen 3.167 N/A SER 67.A N ALA 63.A O no hydrogen 2.998 N/A SER 67.A OG GLN 94.A OE1 no hydrogen 3.373 N/A SER 67.A OG VAL 311.A O no hydrogen 3.435 N/A LEU 68.A N GLY 64.A O no hydrogen 2.792 N/A GLY 69.A N ALA 66.A O no hydrogen 3.213 N/A ARG 71.A N ASP 4.A OD2 no hydrogen 2.903 N/A ARG 71.A NE ASP 4.A OD2 no hydrogen 2.905 N/A ARG 71.A NH1 ALA 1.A O no hydrogen 3.258 N/A ARG 71.A NH2 ASP 4.A OD1 no hydrogen 2.743 N/A ARG 71.A NH2 ASP 4.A OD2 no hydrogen 3.431 N/A ALA 73.A N VAL 5.A O no hydrogen 2.851 N/A TYR 74.A N HIS 97.A O no hydrogen 2.765 N/A PHE 75.A N THR 7.A O no hydrogen 2.956 N/A LYS 77.A NZ LYS 101.A O no hydrogen 2.538 N/A LYS 77.A NZ ASP 136.A OD1 no hydrogen 3.417 N/A ALA 79.A N THR 109.A OG1 no hydrogen 2.965 N/A GLY 84.A N ASP 81.A OD1 no hydrogen 2.799 N/A GLU 85.A N ASP 81.A O no hydrogen 2.917 N/A ILE 86.A N LEU 83.A O no hydrogen 3.345 N/A PHE 87.A N LEU 83.A O no hydrogen 3.042 N/A THR 88.A N GLY 84.A O no hydrogen 3.035 N/A THR 88.A OG1 GLY 84.A O no hydrogen 2.954 N/A HIS 89.A N GLU 85.A O no hydrogen 3.218 N/A ASP 90.A N ILE 86.A O no hydrogen 2.764 N/A ILE 91.A N PHE 87.A O no hydrogen 2.947 N/A ARG 92.A N THR 88.A O no hydrogen 2.996 N/A ARG 92.A NE PHE 98.A O no hydrogen 2.811 N/A ARG 92.A NH2 PHE 98.A O no hydrogen 2.739 N/A ALA 93.A N HIS 89.A O no hydrogen 2.825 N/A GLN 94.A N ASP 90.A O no hydrogen 3.318 N/A GLN 94.A NE2 PRO 309.A O no hydrogen 3.290 N/A GLY 95.A N ARG 92.A O no hydrogen 2.694 N/A HIS 97.A N ALA 72.A O no hydrogen 3.053 N/A HIS 97.A NE2 GLU 138.A OE1 no hydrogen 2.620 N/A LEU 103.A N VAL 78.A O no hydrogen 2.783 N/A THR 109.A N ASP 81.A OD2 no hydrogen 2.850 N/A THR 109.A OG1 ASP 81.A OD1 no hydrogen 2.646 N/A THR 109.A OG1 ASP 81.A OD2 no hydrogen 3.352 N/A ARG 111.A N TYR 125.A O no hydrogen 3.154 N/A SER 112.A N VAL 13.A O no hydrogen 2.916 N/A SER 112.A OG ASN 123.A O no hydrogen 3.560 N/A SER 112.A OG THR 124.A OG1 no hydrogen 2.680 N/A PHE 114.A N SER 122.A O no hydrogen 3.030 N/A VAL 115.A N ALA 17.A O no hydrogen 3.069 N/A THR 116.A N GLU 120.A O no hydrogen 3.028 N/A THR 116.A OG1 ASP 118.A OD1 no hydrogen 2.808 N/A GLY 119.A N THR 116.A O no hydrogen 3.048 N/A GLU 120.A N ASP 118.A OD1 no hydrogen 2.982 N/A ARG 121.A NH1 ARG 121.A O no hydrogen 3.354 N/A SER 122.A N PHE 114.A O no hydrogen 2.966 N/A SER 122.A OG ILE 30.A O no hydrogen 3.378 N/A THR 124.A N ASN 34.A O no hydrogen 2.574 N/A THR 124.A OG1 SER 112.A OG no hydrogen 2.680 N/A TYR 125.A N ARG 111.A O no hydrogen 2.936 N/A ALA 128.A N PRO 108.A O no hydrogen 2.748 N/A CYS 129.A SG ALA 11.A O no hydrogen 2.984 N/A CYS 129.A SG LYS 77.A O no hydrogen 3.427 N/A VAL 130.A N GLY 127.A O no hydrogen 3.321 N/A GLU 131.A N ALA 128.A O no hydrogen 2.960 N/A GLY 133.A N ASP 136.A OD2 no hydrogen 3.336 N/A ASP 136.A N GLY 133.A O no hydrogen 2.846 N/A VAL 137.A N PRO 134.A O no hydrogen 3.196 N/A VAL 142.A N GLU 138.A O no hydrogen 3.203 N/A ALA 143.A N ASP 139.A O no hydrogen 3.252 N/A GLN 144.A N ASP 140.A O no hydrogen 2.963 N/A SER 145.A N VAL 142.A O no hydrogen 3.312 N/A SER 145.A OG VAL 141.A O no hydrogen 3.158 N/A LYS 146.A N TYR 3.A O no hydrogen 2.787 N/A LYS 146.A NZ THR 282.A O no hydrogen 2.828 N/A VAL 147.A N ASP 4.A O no hydrogen 2.979 N/A THR 148.A N GLU 177.A O no hydrogen 2.764 N/A TYR 149.A N LEU 6.A O no hydrogen 2.521 N/A PHE 150.A N ALA 179.A O no hydrogen 2.969 N/A GLU 151.A N ILE 8.A O no hydrogen 3.140 N/A GLY 152.A N THR 180.A O no hydrogen 3.083 N/A TYR 153.A N SER 182.A OG no hydrogen 2.981 N/A LEU 154.A N GLU 151.A O no hydrogen 3.375 N/A TRP 155.A N GLY 152.A O no hydrogen 2.802 N/A ARG 159.A NH2 GLU 135.A OE1 no hydrogen 2.638 N/A ALA 163.A N ALA 160.A O no hydrogen 2.669 N/A ILE 164.A N ALA 160.A O no hydrogen 3.099 N/A ILE 164.A N LYS 161.A O no hydrogen 3.272 N/A ARG 165.A N LYS 161.A O no hydrogen 2.933 N/A ALA 167.A N ALA 163.A O no hydrogen 3.356 N/A ALA 168.A N ILE 164.A O no hydrogen 2.910 N/A ARG 169.A N ARG 165.A O no hydrogen 2.878 N/A ILE 170.A N GLU 166.A O no hydrogen 2.927 N/A ALA 171.A N ALA 168.A O no hydrogen 3.374 N/A HIS 172.A N ALA 168.A O no hydrogen 3.048 N/A HIS 172.A NE2 ASP 203.A OD2 no hydrogen 3.097 N/A ALA 173.A N ARG 169.A O no hydrogen 3.168 N/A HIS 174.A N ALA 171.A O no hydrogen 3.021 N/A HIS 174.A ND1 ILE 170.A O no hydrogen 2.834 N/A GLY 175.A N HIS 172.A O no hydrogen 2.986 N/A ARG 176.A N ALA 171.A O no hydrogen 3.073 N/A ARG 176.A NE ALA 143.A O no hydrogen 2.857 N/A ARG 176.A NH1 ALA 143.A O no hydrogen 3.081 N/A GLU 177.A N LYS 146.A O no hydrogen 2.859 N/A THR 178.A N ASP 203.A OD2 no hydrogen 2.854 N/A THR 178.A OG1 THR 201.A O no hydrogen 2.595 N/A ALA 179.A N THR 148.A O no hydrogen 2.299 N/A LEU 181.A N PHE 206.A O no hydrogen 2.852 N/A SER 182.A N THR 180.A OG1 no hydrogen 2.587 N/A ASP 183.A N LEU 181.A O no hydrogen 2.663 N/A PHE 185.A N ASP 183.A OD2 no hydrogen 3.339 N/A VAL 187.A N ASP 183.A O no hydrogen 3.028 N/A HIS 188.A ND1 SER 184.A O no hydrogen 2.668 N/A ARG 189.A N PHE 185.A O no hydrogen 2.900 N/A ARG 189.A NE ASP 156.A OD1 no hydrogen 2.695 N/A ARG 189.A NH2 ASP 156.A OD2 no hydrogen 3.081 N/A TYR 190.A N VAL 187.A O no hydrogen 3.346 N/A TYR 190.A OH ASP 156.A OD1 no hydrogen 2.758 N/A ARG 191.A N HIS 188.A O no hydrogen 3.504 N/A SER 192.A OG GLU 193.A OE1 no hydrogen 3.178 N/A GLU 193.A N GLU 193.A OE1 no hydrogen 3.028 N/A PHE 194.A N TYR 190.A O no hydrogen 3.096 N/A LEU 195.A N ARG 191.A O no hydrogen 3.178 N/A GLU 196.A N SER 192.A O no hydrogen 3.193 N/A LEU 197.A N GLU 193.A O no hydrogen 3.159 N/A ARG 198.A NE ASP 231.A OD2 no hydrogen 3.336 N/A ARG 198.A NH2 ASP 231.A OD2 no hydrogen 3.280 N/A SER 199.A N GLU 196.A O no hydrogen 2.920 N/A SER 199.A OG GLU 196.A O no hydrogen 2.418 N/A SER 199.A OG LEU 197.A O no hydrogen 3.327 N/A SER 199.A OG THR 201.A OG1 no hydrogen 2.867 N/A THR 201.A OG1 SER 199.A OG no hydrogen 2.867 N/A VAL 202.A N LEU 197.A O no hydrogen 3.241 N/A ASP 203.A N THR 178.A OG1 no hydrogen 2.958 N/A ILE 204.A N THR 178.A O no hydrogen 2.961 N/A VAL 205.A N LEU 234.A O no hydrogen 2.959 N/A ALA 207.A N ALA 236.A O no hydrogen 3.106 N/A ASN 208.A N GLU 211.A OE1 no hydrogen 2.939 N/A GLU 211.A N ASN 208.A OD1 no hydrogen 3.100 N/A ALA 212.A N ASN 208.A O no hydrogen 3.050 N/A LEU 213.A N ARG 209.A O no hydrogen 2.863 N/A ALA 214.A N GLU 211.A O no hydrogen 3.249 N/A LEU 215.A N GLU 211.A O no hydrogen 3.011 N/A LEU 215.A N ALA 212.A O no hydrogen 3.345 N/A TYR 216.A OH ASP 231.A OD2 no hydrogen 3.137 N/A THR 218.A N LEU 213.A O no hydrogen 2.803 N/A ASP 220.A N THR 218.A OG1 no hydrogen 2.768 N/A ARG 223.A N ASP 220.A OD1 no hydrogen 3.375 N/A ALA 224.A N ASP 220.A O no hydrogen 3.159 N/A LEU 225.A N PHE 221.A O no hydrogen 2.984 N/A GLU 226.A N ASP 222.A O no hydrogen 3.253 N/A GLU 226.A N ARG 223.A O no hydrogen 3.249 N/A LEU 227.A N ARG 223.A O no hydrogen 3.273 N/A LEU 228.A N ALA 224.A O no hydrogen 3.061 N/A ALA 229.A N LEU 225.A O no hydrogen 3.176 N/A ARG 230.A N GLU 226.A O no hydrogen 3.102 N/A CYS 232.A SG LEU 228.A O no hydrogen 3.083 N/A CYS 232.A SG LEU 234.A O no hydrogen 3.282 N/A LYS 233.A N ASP 203.A O no hydrogen 3.358 N/A ALA 235.A N VAL 247.A O no hydrogen 3.181 N/A THR 238.A N ALA 207.A O no hydrogen 2.694 N/A THR 238.A OG1 ALA 207.A O no hydrogen 3.363 N/A LEU 239.A N GLY 243.A O no hydrogen 2.911 N/A GLU 241.A N GLU 241.A OE2 no hydrogen 2.626 N/A GLU 242.A N LEU 239.A O no hydrogen 2.850 N/A GLY 243.A N SER 240.A O no hydrogen 3.289 N/A SER 244.A N VAL 255.A O no hydrogen 2.772 N/A SER 244.A OG SER 291.A OG no hydrogen 3.070 N/A VAL 245.A N VAL 237.A O no hydrogen 3.085 N/A VAL 246.A N VAL 253.A O no hydrogen 3.000 N/A VAL 247.A N ALA 235.A O no hydrogen 2.960 N/A ARG 248.A N GLU 251.A O no hydrogen 3.118 N/A ARG 248.A NE GLU 251.A OE2 no hydrogen 3.430 N/A GLU 251.A N ARG 248.A O no hydrogen 2.941 N/A ARG 252.A NH1 GLU 251.A O no hydrogen 3.538 N/A VAL 264.A N ILE 302.A O no hydrogen 3.085 N/A ASP 265.A N ILE 302.A O no hydrogen 3.147 N/A THR 266.A N GLY 119.A O no hydrogen 2.809 N/A THR 267.A N ASP 265.A OD1 no hydrogen 3.067 N/A THR 267.A OG1 ASP 265.A OD1 no hydrogen 2.947 N/A ALA 269.A N THR 266.A O no hydrogen 3.123 N/A LEU 272.A N GLY 268.A O no hydrogen 3.111 N/A LEU 272.A N ALA 269.A O no hydrogen 2.584 N/A TYR 273.A N ALA 269.A O no hydrogen 2.817 N/A ALA 274.A N GLY 270.A O no hydrogen 3.335 N/A ALA 275.A N ASP 271.A O no hydrogen 3.299 N/A GLY 276.A N LEU 272.A O no hydrogen 3.244 N/A PHE 277.A N TYR 273.A O no hydrogen 3.005 N/A LEU 278.A N ALA 274.A O no hydrogen 3.048 N/A PHE 279.A N ALA 275.A O no hydrogen 3.115 N/A GLY 280.A N GLY 276.A O no hydrogen 2.982 N/A TYR 281.A N PHE 277.A O no hydrogen 2.772 N/A TYR 281.A OH GLU 177.A OE1 no hydrogen 2.671 N/A TYR 281.A OH GLU 177.A OE2 no hydrogen 3.177 N/A THR 282.A N LEU 278.A O no hydrogen 2.954 N/A THR 282.A OG1 LEU 278.A O no hydrogen 3.108 N/A SER 283.A N GLY 280.A O no hydrogen 2.900 N/A SER 283.A OG PHE 279.A O no hydrogen 2.856 N/A SER 283.A OG GLY 280.A O no hydrogen 3.312 N/A ARG 285.A NE SER 283.A OG no hydrogen 3.292 N/A ARG 285.A NH1 GLU 289.A OE2 no hydrogen 3.303 N/A GLU 289.A N SER 286.A OG no hydrogen 2.886 N/A CYS 290.A N LEU 287.A O no hydrogen 3.145 N/A CYS 290.A SG PHE 277.A O no hydrogen 3.355 N/A CYS 290.A SG ARG 285.A O no hydrogen 4.046 N/A SER 291.A N LEU 287.A O no hydrogen 2.757 N/A SER 291.A OG SER 244.A OG no hydrogen 3.070 N/A SER 291.A OG LEU 287.A O no hydrogen 3.267 N/A LYS 292.A N GLU 288.A O no hydrogen 3.236 N/A LEU 293.A N GLU 289.A O no hydrogen 3.272 N/A GLY 294.A N CYS 290.A O no hydrogen 2.924 N/A ASN 295.A N SER 291.A O no hydrogen 3.022 N/A LEU 296.A N LYS 292.A O no hydrogen 3.007 N/A ALA 297.A N LEU 293.A O no hydrogen 3.244 N/A ALA 298.A N GLY 294.A O no hydrogen 2.974 N/A GLY 299.A N ASN 295.A O no hydrogen 2.911 N/A ILE 300.A N LEU 296.A O no hydrogen 3.395 N/A VAL 301.A N ALA 298.A O no hydrogen 2.927 N/A ILE 302.A N ALA 298.A O no hydrogen 3.220 N/A GLY 306.A N ASP 265.A OD2 no hydrogen 3.162 N/A ARG 308.A NE ASN 60.A OD1 no hydrogen 2.825 N/A ARG 308.A NH2 GLY 55.A O no hydrogen 2.760 N/A ALA 314.A N SER 67.A O no hydrogen 3.077 N/A THR 315.A N SER 312.A OG no hydrogen 2.978 N/A ALA 316.A N SER 312.A O no hydrogen 2.983 N/A ALA 317.A N LEU 313.A O no hydrogen 2.875 N/A ARG 318.A N ALA 314.A O no hydrogen 3.339 N/A GLN 319.A N THR 315.A O no hydrogen 3.161 N/A ALA 320.A N ALA 316.A O no hydrogen 2.835 N/A ALA 321.A N ALA 317.A O no hydrogen 3.059 N/A LEU 322.A N ARG 318.A O no hydrogen 2.918 N/A VAL 323.A N GLN 319.A O no hydrogen 3.091 N/A VAL 323.A N ALA 320.A O no hydrogen 2.821 N/A ALA 324.A N ALA 320.A O no hydrogen 3.021 N/A GLU 325.A N ALA 321.A O no hydrogen 3.329 N/A ASN 326.A N LEU 322.A O no hydrogen 3.209 N/A LEU 327.A N VAL 323.A O no hydrogen 2.764 N/A TYR 328.A N ALA 324.A O no hydrogen 2.715 N/A GLN 330.A N GLU 325.A O no hydrogen 3.040 N/A