Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ub2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 2.A ND2 ILE 36.A O no hydrogen 3.645 N/A ASN 2.A ND2 HIS 41.A O no hydrogen 3.239 N/A THR 6.A N ASN 2.A O no hydrogen 3.252 N/A THR 6.A OG1 ASN 2.A O no hydrogen 3.327 N/A THR 6.A OG1 GLY 3.A O no hydrogen 3.182 N/A ASP 7.A N GLY 3.A O no hydrogen 3.013 N/A MET 8.A N GLY 4.A O no hydrogen 2.832 N/A LEU 9.A N ILE 5.A O no hydrogen 2.926 N/A THR 10.A N THR 6.A O no hydrogen 3.065 N/A THR 10.A OG1 THR 6.A O no hydrogen 2.587 N/A GLU 11.A N ASP 7.A O no hydrogen 2.790 N/A LEU 12.A N MET 8.A O no hydrogen 2.941 N/A ALA 13.A N LEU 9.A O no hydrogen 2.805 N/A ASN 14.A N THR 10.A O no hydrogen 3.035 N/A PHE 15.A N GLU 11.A O no hydrogen 2.958 N/A GLU 16.A N LEU 12.A O no hydrogen 2.989 N/A LYS 17.A N ALA 13.A O no hydrogen 3.056 N/A ASN 18.A N ASN 14.A O no hydrogen 2.941 N/A ASN 18.A ND2 ASN 88.A OD1 no hydrogen 3.234 N/A VAL 19.A N PHE 15.A O no hydrogen 2.993 N/A SER 20.A N PHE 15.A O no hydrogen 2.992 N/A SER 20.A OG GLU 16.A OE1 no hydrogen 3.514 N/A ALA 22.A N GLU 16.A O no hydrogen 2.666 N/A TYR 26.A N ALA 22.A O no hydrogen 3.234 N/A ASN 27.A N ILE 23.A O no hydrogen 2.999 N/A ALA 28.A N HIS 24.A O no hydrogen 2.984 N/A TYR 29.A N LYS 25.A O no hydrogen 2.878 N/A ARG 30.A N TYR 26.A O no hydrogen 3.253 N/A ARG 30.A NE TYR 26.A OH no hydrogen 3.057 N/A ARG 30.A NH2 TYR 26.A OH no hydrogen 3.017 N/A LYS 31.A N ASN 27.A O no hydrogen 2.810 N/A ALA 32.A N ALA 28.A O no hydrogen 2.952 N/A ALA 33.A N TYR 29.A O no hydrogen 2.833 N/A SER 34.A N ARG 30.A O no hydrogen 2.639 N/A VAL 35.A N LYS 31.A O no hydrogen 3.086 N/A ILE 36.A N ALA 32.A O no hydrogen 3.113 N/A ALA 37.A N ALA 33.A O no hydrogen 3.012 N/A LYS 38.A N SER 34.A O no hydrogen 3.357 N/A TYR 39.A OH GLU 48.A OE2 no hydrogen 2.867 N/A ILE 43.A N ASN 2.A OD1 no hydrogen 2.824 N/A LYS 44.A N GLU 48.A OE1 no hydrogen 2.470 N/A GLY 46.A N ASP 64.A OD1 no hydrogen 2.522 N/A GLU 48.A N SER 45.A OG no hydrogen 3.041 N/A ALA 49.A N SER 45.A O no hydrogen 3.403 N/A LYS 50.A N GLY 46.A O no hydrogen 2.954 N/A LYS 51.A N GLU 48.A O no hydrogen 3.167 N/A LEU 52.A N ALA 49.A O no hydrogen 2.681 N/A VAL 55.A N LEU 52.A O no hydrogen 3.256 N/A ALA 60.A N GLY 56.A O no hydrogen 3.148 N/A GLU 61.A N THR 57.A O no hydrogen 3.013 N/A LYS 62.A N LYS 58.A O no hydrogen 3.175 N/A LYS 62.A NZ TYR 29.A OH no hydrogen 3.141 N/A ILE 63.A N ILE 59.A O no hydrogen 2.962 N/A ASP 64.A N ALA 60.A O no hydrogen 3.200 N/A GLU 65.A N GLU 61.A O no hydrogen 3.054 N/A PHE 66.A N LYS 62.A O no hydrogen 2.851 N/A LEU 67.A N ILE 63.A O no hydrogen 2.887 N/A ALA 68.A N ASP 64.A O no hydrogen 2.897 N/A THR 69.A N GLU 65.A O no hydrogen 2.865 N/A THR 69.A OG1 GLU 65.A O no hydrogen 2.820 N/A GLY 70.A N PHE 66.A O no hydrogen 2.720 N/A LYS 71.A N THR 69.A OG1 no hydrogen 3.125 N/A ARG 73.A N GLU 65.A OE2 no hydrogen 2.922 N/A GLU 76.A N LEU 72.A O no hydrogen 3.047 N/A LYS 77.A N ARG 73.A O no hydrogen 3.096 N/A ILE 78.A N LYS 74.A O no hydrogen 3.242 N/A ARG 79.A N LEU 75.A O no hydrogen 2.829 N/A GLN 80.A N GLU 76.A O no hydrogen 3.102 N/A ASP 81.A N ILE 78.A O no hydrogen 3.206 N/A SER 84.A OG ILE 78.A O no hydrogen 3.506 N/A SER 84.A OG ASP 81.A O no hydrogen 3.295 N/A SER 84.A OG ASP 81.A OD2 no hydrogen 3.177 N/A SER 85.A N ASP 81.A O no hydrogen 3.114 N/A SER 85.A OG ASP 81.A O no hydrogen 3.531 N/A SER 85.A OG ASP 82.A O no hydrogen 3.135 N/A SER 86.A N ASP 82.A O no hydrogen 2.829 N/A SER 86.A N THR 83.A O no hydrogen 3.182 N/A SER 86.A OG ASP 82.A O no hydrogen 3.261 N/A SER 86.A OG ASP 82.A OD1 no hydrogen 3.439 N/A ILE 87.A N THR 83.A O no hydrogen 2.938 N/A ASN 88.A N SER 84.A O no hydrogen 3.148 N/A PHE 89.A N SER 85.A O no hydrogen 3.188 N/A LEU 90.A N SER 86.A O no hydrogen 3.162 N/A THR 91.A N ILE 87.A O no hydrogen 3.384 N/A THR 91.A OG1 ASN 88.A O no hydrogen 3.234 N/A ARG 92.A N PHE 89.A O no hydrogen 2.929 N/A ARG 92.A NE GLU 137.A OE2 no hydrogen 2.793 N/A ARG 92.A NH2 GLU 137.A OE1 no hydrogen 2.868 N/A ARG 92.A NH2 GLU 137.A OE2 no hydrogen 3.126 N/A VAL 93.A N LEU 90.A O no hydrogen 2.975 N/A SER 94.A OG HIS 125.A NE2 no hydrogen 2.802 N/A ILE 96.A N VAL 93.A O no hydrogen 2.847 N/A ALA 101.A N GLY 97.A O no hydrogen 2.969 N/A ARG 102.A N PRO 98.A O no hydrogen 3.178 N/A ARG 102.A NH2 VAL 19.A O no hydrogen 2.447 N/A LYS 103.A N SER 99.A O no hydrogen 3.120 N/A PHE 104.A N ALA 100.A O no hydrogen 2.908 N/A VAL 105.A N ALA 101.A O no hydrogen 2.851 N/A ASP 106.A N ARG 102.A O no hydrogen 2.912 N/A GLU 107.A N LYS 103.A O no hydrogen 3.205 N/A GLU 107.A N PHE 104.A O no hydrogen 2.773 N/A GLY 108.A N VAL 105.A O no hydrogen 3.369 N/A ILE 109.A N PHE 104.A O no hydrogen 3.122 N/A LYS 110.A N ASP 114.A OD2 no hydrogen 3.115 N/A LYS 110.A NZ ASP 82.A OD2 no hydrogen 3.308 N/A THR 111.A N ASP 114.A OD2 no hydrogen 3.148 N/A ASP 114.A N THR 111.A OG1 no hydrogen 3.146 N/A LEU 115.A N THR 111.A O no hydrogen 2.918 N/A ARG 116.A N LEU 112.A O no hydrogen 2.967 N/A LYS 117.A N GLU 113.A O no hydrogen 3.000 N/A LYS 117.A NZ GLU 113.A OE1 no hydrogen 3.512 N/A ASN 118.A N LEU 115.A O no hydrogen 2.850 N/A ASN 118.A ND2 ASP 114.A O no hydrogen 2.603 N/A GLU 119.A N ARG 116.A O no hydrogen 3.343 N/A LYS 121.A N ASN 118.A O no hydrogen 2.562 N/A LYS 121.A NZ GLU 107.A OE2 no hydrogen 2.787 N/A LEU 122.A N GLU 119.A O no hydrogen 3.109 N/A ASN 123.A N GLN 126.A OE1 no hydrogen 2.645 N/A HIS 125.A NE2 SER 94.A OG no hydrogen 2.802 N/A GLN 126.A N ASN 123.A OD1 no hydrogen 2.687 N/A GLN 126.A NE2 GLY 95.A O no hydrogen 2.825 N/A ARG 127.A N ASN 123.A O no hydrogen 2.970 N/A ARG 127.A NE GLU 119.A O no hydrogen 3.634 N/A ILE 128.A N HIS 124.A O no hydrogen 3.142 N/A GLY 129.A N HIS 125.A O no hydrogen 2.917 N/A LEU 130.A N GLN 126.A O no hydrogen 2.813 N/A LYS 131.A N ARG 127.A O no hydrogen 2.857 N/A LYS 131.A NZ TYR 132.A OH no hydrogen 3.312 N/A TYR 132.A N ILE 128.A O no hydrogen 3.056 N/A TYR 132.A OH ASP 214.A OD2 no hydrogen 2.445 N/A PHE 133.A N LEU 130.A O no hydrogen 3.119 N/A PHE 136.A N TYR 132.A O no hydrogen 2.909 N/A GLU 137.A N GLY 134.A O no hydrogen 3.058 N/A LYS 138.A N ASP 135.A O no hydrogen 3.235 N/A ARG 139.A NE SER 177.A OG no hydrogen 3.066 N/A ARG 139.A NH2 SER 177.A O no hydrogen 3.080 N/A ILE 140.A N SER 178.A O no hydrogen 2.745 N/A ARG 142.A N GLU 176.A O no hydrogen 2.648 N/A ARG 142.A NH1 PHE 171.A O no hydrogen 2.936 N/A ARG 142.A NH1 ALA 175.A O no hydrogen 2.792 N/A ARG 142.A NH2 PHE 171.A O no hydrogen 3.168 N/A GLU 144.A N PRO 141.A O no hydrogen 2.791 N/A MET 145.A N PRO 141.A O no hydrogen 3.151 N/A LEU 146.A N ARG 142.A O no hydrogen 2.697 N/A GLN 147.A N GLU 143.A O no hydrogen 3.377 N/A MET 148.A N GLU 144.A O no hydrogen 2.635 N/A GLN 149.A N MET 145.A O no hydrogen 2.663 N/A ASP 150.A N LEU 146.A O no hydrogen 3.026 N/A ILE 151.A N GLN 147.A O no hydrogen 3.451 N/A VAL 152.A N MET 148.A O no hydrogen 3.053 N/A LEU 153.A N GLN 149.A O no hydrogen 2.784 N/A ASN 154.A N ASP 150.A O no hydrogen 2.954 N/A GLU 155.A N ILE 151.A O no hydrogen 2.750 N/A VAL 156.A N VAL 152.A O no hydrogen 3.051 N/A LYS 157.A N LEU 153.A O no hydrogen 3.036 N/A LYS 158.A N GLU 155.A O no hydrogen 3.312 N/A LYS 158.A NZ GLU 155.A OE1 no hydrogen 2.966 N/A LYS 158.A NZ GLU 155.A OE2 no hydrogen 3.316 N/A VAL 159.A N VAL 156.A O no hydrogen 2.935 N/A ASP 160.A N VAL 156.A O no hydrogen 3.434 N/A GLU 162.A N ASP 160.A OD1 no hydrogen 2.984 N/A TYR 163.A N ASP 160.A O no hydrogen 3.179 N/A TYR 163.A OH LEU 198.A O no hydrogen 2.692 N/A TYR 163.A OH GLN 201.A OE1 no hydrogen 3.366 N/A ILE 164.A N THR 186.A O no hydrogen 3.029 N/A THR 166.A N LEU 184.A O no hydrogen 2.806 N/A THR 166.A OG1 TYR 251.A OH no hydrogen 2.486 N/A CYS 168.A N ASP 182.A O no hydrogen 2.874 N/A CYS 168.A SG THR 166.A O no hydrogen 3.266 N/A GLY 169.A N PHE 258.A O no hydrogen 2.782 N/A ARG 172.A N GLY 169.A O no hydrogen 2.798 N/A ARG 172.A NH1 THR 259.A OG1 no hydrogen 2.752 N/A ARG 172.A NH1 GLU 300.A OE1 no hydrogen 3.103 N/A ARG 172.A NH2 GLU 300.A OE1 no hydrogen 3.470 N/A ARG 172.A NH2 GLU 300.A OE2 no hydrogen 2.493 N/A ARG 173.A N SER 170.A O no hydrogen 2.914 N/A ARG 173.A NH1 THR 259.A O no hydrogen 2.711 N/A GLY 174.A N PHE 171.A O no hydrogen 3.018 N/A ALA 175.A N SER 170.A O no hydrogen 3.163 N/A SER 178.A N ILE 140.A O no hydrogen 2.843 N/A MET 181.A N ARG 240.A O no hydrogen 2.920 N/A VAL 183.A N ASP 242.A O no hydrogen 3.272 N/A LEU 184.A N THR 166.A O no hydrogen 2.835 N/A LEU 185.A N ARG 244.A O no hydrogen 2.774 N/A THR 186.A N ILE 164.A O no hydrogen 3.026 N/A THR 186.A OG1 ILE 246.A O no hydrogen 2.769 N/A HIS 187.A N THR 186.A OG1 no hydrogen 2.525 N/A SER 189.A N HIS 187.A ND1 no hydrogen 3.189 N/A SER 189.A OG HIS 187.A ND1 no hydrogen 2.667 N/A PHE 190.A N HIS 187.A O no hydrogen 2.759 N/A THR 191.A N SER 194.A OG no hydrogen 2.545 N/A SER 192.A N ASP 249.A OD1 no hydrogen 3.225 N/A SER 192.A OG ASP 249.A OD1 no hydrogen 3.040 N/A SER 192.A OG ASP 249.A OD2 no hydrogen 2.418 N/A GLU 193.A N THR 191.A OG1 no hydrogen 3.198 N/A SER 194.A N THR 191.A O no hydrogen 3.335 N/A SER 194.A OG THR 191.A O no hydrogen 2.688 N/A GLN 201.A N LYS 197.A O no hydrogen 2.986 N/A VAL 202.A N LEU 199.A O no hydrogen 2.843 N/A VAL 203.A N LEU 199.A O no hydrogen 2.894 N/A GLU 204.A N HIS 200.A O no hydrogen 2.900 N/A GLN 205.A N GLN 201.A O no hydrogen 3.470 N/A GLN 205.A NE2 GLU 155.A OE1 no hydrogen 2.504 N/A LEU 206.A N VAL 202.A O no hydrogen 3.296 N/A GLN 207.A N VAL 203.A O no hydrogen 2.999 N/A LYS 208.A N GLU 204.A O no hydrogen 2.538 N/A VAL 209.A N GLN 205.A O no hydrogen 2.921 N/A HIS 210.A N GLN 207.A O no hydrogen 2.780 N/A PHE 211.A N LEU 206.A O no hydrogen 2.840 N/A ILE 212.A N LEU 206.A O no hydrogen 2.843 N/A THR 213.A N VAL 226.A O no hydrogen 2.851 N/A THR 213.A OG1 ASP 214.A OD2 no hydrogen 3.213 N/A THR 213.A OG1 VAL 226.A O no hydrogen 3.441 N/A ASP 214.A N VAL 226.A O no hydrogen 3.506 N/A LEU 216.A N MET 224.A O no hydrogen 2.737 N/A SER 217.A N MET 224.A O no hydrogen 3.039 N/A LYS 218.A NZ HIS 200.A ND1 no hydrogen 3.164 N/A GLY 219.A N LYS 222.A O no hydrogen 3.035 N/A PHE 223.A N ILE 243.A O no hydrogen 2.848 N/A MET 224.A N SER 217.A O no hydrogen 2.818 N/A GLY 225.A N ILE 241.A O no hydrogen 2.912 N/A VAL 226.A N ASP 214.A O no hydrogen 2.843 N/A CYS 227.A N ARG 239.A O no hydrogen 2.838 N/A CYS 227.A SG ARG 239.A O no hydrogen 3.819 N/A GLN 228.A N PHE 211.A O no hydrogen 2.985 N/A GLN 228.A NE2 TYR 236.A O no hydrogen 2.639 N/A SER 231.A OG LYS 234.A O no hydrogen 3.265 N/A HIS 238.A N ASP 135.A OD2 no hydrogen 2.727 N/A ARG 239.A N CYS 227.A O no hydrogen 2.792 N/A ARG 239.A NH2 GLU 144.A OE1 no hydrogen 2.798 N/A ARG 239.A NH2 GLU 144.A OE2 no hydrogen 3.456 N/A ARG 240.A NH1 GLY 225.A O no hydrogen 2.920 N/A ARG 240.A NH1 ILE 241.A O no hydrogen 3.168 N/A ARG 240.A NH1 ASP 242.A OD1 no hydrogen 3.137 N/A ARG 240.A NH2 ASP 242.A OD1 no hydrogen 2.784 N/A ILE 241.A N GLY 225.A O no hydrogen 2.968 N/A ASP 242.A N MET 181.A O no hydrogen 2.894 N/A ILE 243.A N PHE 223.A O no hydrogen 2.846 N/A ARG 244.A N VAL 183.A O no hydrogen 2.961 N/A ARG 244.A NE ASP 182.A OD1 no hydrogen 3.250 N/A LEU 245.A N THR 221.A O no hydrogen 2.778 N/A ILE 246.A N LEU 185.A O no hydrogen 2.678 N/A LYS 248.A N PHE 190.A O no hydrogen 2.782 N/A ASP 249.A N ASP 249.A OD1 no hydrogen 2.683 N/A GLN 250.A N PRO 247.A O no hydrogen 2.994 N/A TYR 251.A N LYS 248.A O no hydrogen 3.155 N/A TYR 251.A OH THR 166.A OG1 no hydrogen 2.486 N/A TYR 251.A OH LEU 184.A O no hydrogen 2.938 N/A GLY 254.A N GLN 250.A O no hydrogen 3.039 N/A VAL 255.A N TYR 251.A O no hydrogen 2.918 N/A LEU 256.A N TYR 252.A O no hydrogen 2.901 N/A TYR 257.A N CYS 253.A O no hydrogen 2.989 N/A PHE 258.A N GLY 254.A O no hydrogen 2.821 N/A THR 259.A OG1 VAL 255.A O no hydrogen 2.747 N/A SER 261.A N ARG 317.A O no hydrogen 2.923 N/A SER 261.A OG ARG 317.A O no hydrogen 2.803 N/A SER 261.A OG SER 318.A O no hydrogen 2.528 N/A ASN 265.A N SER 261.A O no hydrogen 3.060 N/A ASN 265.A ND2 TYR 257.A O no hydrogen 3.149 N/A LYS 266.A N ASP 262.A O no hydrogen 3.184 N/A ASN 267.A N ILE 263.A O no hydrogen 3.010 N/A ASN 267.A ND2 GLU 319.A O no hydrogen 2.888 N/A MET 268.A N ASN 265.A O no hydrogen 3.296 N/A ARG 269.A N ASN 265.A O no hydrogen 2.536 N/A ALA 270.A N LYS 266.A O no hydrogen 2.964 N/A HIS 271.A N MET 268.A O no hydrogen 2.973 N/A ALA 272.A N MET 268.A O no hydrogen 2.857 N/A LYS 275.A N HIS 271.A O no hydrogen 3.333 N/A GLY 276.A N LEU 273.A O no hydrogen 3.078 N/A PHE 277.A N ALA 272.A O no hydrogen 2.725 N/A THR 278.A N ARG 285.A O no hydrogen 2.741 N/A ASN 280.A N THR 283.A O no hydrogen 3.029 N/A TYR 282.A N ASN 280.A OD1 no hydrogen 3.179 N/A THR 283.A N ASN 280.A OD1 no hydrogen 2.595 N/A THR 283.A OG1 ASN 280.A OD1 no hydrogen 3.383 N/A ARG 285.A N THR 278.A O no hydrogen 3.032 N/A ARG 285.A NE THR 283.A OG1 no hydrogen 3.262 N/A ARG 285.A NH1 GLY 292.A O no hydrogen 3.422 N/A LEU 287.A N GLY 276.A O no hydrogen 3.016 N/A GLY 288.A N VAL 290.A O no hydrogen 2.664 N/A GLY 292.A N PRO 286.A O no hydrogen 2.824 N/A LEU 295.A N ILE 284.A O no hydrogen 2.995 N/A ASP 298.A N ASP 302.A OD1 no hydrogen 2.744 N/A LYS 301.A NZ ASP 305.A OD1 no hydrogen 3.070 N/A LYS 301.A NZ ASP 305.A OD2 no hydrogen 3.394 N/A PHE 304.A N GLU 300.A O no hydrogen 3.278 N/A ASP 305.A N LYS 301.A O no hydrogen 2.779 N/A TYR 306.A N ASP 302.A O no hydrogen 2.996 N/A TYR 306.A OH PRO 296.A O no hydrogen 2.693 N/A GLN 308.A N ASP 305.A O no hydrogen 2.562 N/A TRP 309.A N PHE 304.A O no hydrogen 2.689 N/A ARG 312.A NE ASP 316.A O no hydrogen 3.264 N/A ARG 312.A NH2 GLU 319.A OXT no hydrogen 3.553 N/A ARG 317.A N PRO 314.A O no hydrogen 2.988 N/A ARG 317.A NE ARG 312.A O no hydrogen 2.661 N/A ARG 317.A NH1 GLU 300.A OE1 no hydrogen 2.723 N/A ARG 317.A NH2 GLU 300.A OE1 no hydrogen 2.954 N/A ARG 317.A NH2 ARG 312.A O no hydrogen 3.492 N/A