Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ug1_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 4.A ND2 TYR 60.A OH no hydrogen 3.517 N/A ALA 6.A N ASN 4.A OD1 no hydrogen 3.017 N/A ARG 9.A NH1 TYR 294.A OH no hydrogen 3.148 N/A LEU 11.A N ILE 76.A O no hydrogen 2.750 N/A LYS 12.A N GLU 15.A OE1 no hydrogen 3.331 N/A GLU 15.A N LYS 12.A O no hydrogen 3.161 N/A LYS 17.A N LEU 31.A O no hydrogen 2.970 N/A ILE 19.A N LYS 29.A O no hydrogen 3.002 N/A LEU 22.A N VAL 27.A O no hydrogen 2.792 N/A SER 23.A N VAL 27.A O no hydrogen 3.319 N/A TYR 28.A N ILE 45.A O no hydrogen 3.008 N/A LYS 29.A N LYS 20.A O no hydrogen 3.121 N/A GLY 30.A N VAL 43.A O no hydrogen 2.961 N/A LEU 31.A N LYS 17.A O no hydrogen 3.021 N/A TRP 32.A N ILE 41.A O no hydrogen 2.829 N/A ILE 33.A N GLU 15.A O no hydrogen 2.633 N/A GLU 35.A N GLU 15.A OE2 no hydrogen 2.597 N/A LYS 40.A N ASP 287.A O no hydrogen 2.749 N/A LYS 40.A NZ ASP 284.A O no hydrogen 2.774 N/A ILE 41.A N TRP 32.A O no hydrogen 2.923 N/A VAL 43.A N GLY 30.A O no hydrogen 3.081 N/A ALA 44.A N MET 86.A O no hydrogen 2.776 N/A ILE 45.A N TYR 28.A O no hydrogen 2.714 N/A LYS 46.A N LEU 84.A O no hydrogen 2.869 N/A LYS 46.A NZ GLU 58.A OE2 no hydrogen 3.195 N/A LYS 53.A N PRO 49.A O no hydrogen 3.265 N/A GLU 54.A N LYS 50.A O no hydrogen 3.054 N/A ILE 55.A N ALA 51.A O no hydrogen 3.007 N/A LEU 56.A N ASN 52.A O no hydrogen 3.108 N/A LEU 56.A N LYS 53.A O no hydrogen 3.353 N/A ASP 57.A N LYS 53.A O no hydrogen 3.034 N/A GLU 58.A N GLU 54.A O no hydrogen 3.020 N/A ALA 59.A N ILE 55.A O no hydrogen 3.238 N/A TYR 60.A N LEU 56.A O no hydrogen 2.993 N/A VAL 61.A N ASP 57.A O no hydrogen 3.044 N/A MET 62.A N GLU 58.A O no hydrogen 2.950 N/A ALA 63.A N ALA 59.A O no hydrogen 2.886 N/A SER 64.A N TYR 60.A O no hydrogen 3.289 N/A SER 64.A N VAL 61.A O no hydrogen 3.101 N/A SER 64.A OG TYR 60.A O no hydrogen 2.346 N/A SER 64.A OG VAL 61.A O no hydrogen 3.409 N/A ASP 66.A N TYR 123.A OH no hydrogen 2.656 N/A HIS 69.A ND1 VAL 147.A O no hydrogen 3.154 N/A VAL 70.A N ASN 67.A O no hydrogen 3.114 N/A CYS 71.A N ILE 149.A O no hydrogen 2.643 N/A CYS 71.A SG THR 150.A OG1 no hydrogen 3.053 N/A ARG 72.A NH1 TYR 294.A O no hydrogen 3.044 N/A ARG 72.A NH2 TYR 294.A O no hydrogen 2.766 N/A LEU 74.A N ILE 85.A O no hydrogen 2.583 N/A GLY 75.A N ILE 85.A O no hydrogen 3.319 N/A ILE 76.A N ARG 9.A O no hydrogen 3.068 N/A CYS 77.A N GLN 83.A O no hydrogen 2.906 N/A CYS 77.A SG LEU 11.A O no hydrogen 3.399 N/A CYS 77.A SG GLN 83.A OE1 no hydrogen 3.984 N/A THR 81.A OG1 GLU 47.A OE2 no hydrogen 2.901 N/A GLN 83.A N CYS 77.A O no hydrogen 2.982 N/A LEU 84.A N LYS 46.A O no hydrogen 2.863 N/A ILE 85.A N GLY 75.A O no hydrogen 2.856 N/A MET 86.A N ALA 44.A O no hydrogen 2.916 N/A GLN 87.A N ARG 72.A O no hydrogen 2.968 N/A GLN 87.A NE2 ASP 292.A OD2 no hydrogen 3.100 N/A LEU 88.A N PRO 42.A O no hydrogen 3.204 N/A PHE 91.A N VAL 141.A O no hydrogen 3.352 N/A GLY 92.A N MET 89.A O no hydrogen 2.932 N/A LEU 94.A N VAL 139.A O no hydrogen 2.711 N/A LEU 95.A N ALA 136.A O no hydrogen 3.003 N/A TYR 97.A N CYS 93.A O no hydrogen 3.190 N/A VAL 98.A N LEU 94.A O no hydrogen 2.905 N/A ARG 99.A N LEU 95.A O no hydrogen 3.078 N/A ARG 99.A NE GLY 207.A O no hydrogen 2.970 N/A ARG 99.A NH2 GLY 207.A O no hydrogen 3.047 N/A GLU 100.A N ASP 96.A O no hydrogen 2.637 N/A HIS 101.A N TYR 97.A O no hydrogen 2.822 N/A LYS 102.A N ARG 99.A O no hydrogen 3.413 N/A LYS 102.A NZ PHE 206.A O no hydrogen 3.199 N/A ASN 104.A N HIS 101.A O no hydrogen 2.699 N/A SER 107.A N ASP 280.A OD1 no hydrogen 3.138 N/A SER 107.A OG ASP 280.A OD1 no hydrogen 2.928 N/A SER 107.A OG ASP 280.A OD2 no hydrogen 2.533 N/A TYR 109.A OH GLN 145.A OE1 no hydrogen 2.895 N/A LEU 110.A N GLY 106.A O no hydrogen 3.162 N/A LEU 111.A N SER 107.A O no hydrogen 3.016 N/A ASN 112.A N GLN 108.A O no hydrogen 3.140 N/A ASN 112.A ND2 GLN 108.A OE1 no hydrogen 3.511 N/A TRP 113.A N TYR 109.A O no hydrogen 2.879 N/A TRP 113.A NE1 PRO 144.A O no hydrogen 2.912 N/A CYS 114.A N LEU 110.A O no hydrogen 3.067 N/A CYS 114.A SG LEU 110.A O no hydrogen 3.360 N/A VAL 115.A N LEU 111.A O no hydrogen 2.906 N/A GLN 116.A N ASN 112.A O no hydrogen 2.840 N/A ILE 117.A N TRP 113.A O no hydrogen 2.978 N/A ALA 118.A N CYS 114.A O no hydrogen 3.158 N/A LYS 119.A N VAL 115.A O no hydrogen 2.944 N/A GLY 120.A N GLN 116.A O no hydrogen 3.132 N/A MET 121.A N ILE 117.A O no hydrogen 2.916 N/A ASN 122.A N ALA 118.A O no hydrogen 2.821 N/A TYR 123.A N LYS 119.A O no hydrogen 3.131 N/A LEU 124.A N GLY 120.A O no hydrogen 3.070 N/A GLU 125.A N MET 121.A O no hydrogen 2.930 N/A ASP 126.A N ASN 122.A O no hydrogen 2.888 N/A ARG 127.A N TYR 123.A O no hydrogen 2.935 N/A ARG 127.A NE SER 64.A O no hydrogen 3.091 N/A ARG 128.A N GLU 125.A O no hydrogen 2.633 N/A ARG 128.A NE LEU 158.A O no hydrogen 3.493 N/A ARG 128.A NH2 GLY 159.A O no hydrogen 2.785 N/A LEU 129.A N LEU 124.A O no hydrogen 2.797 N/A VAL 130.A N LYS 156.A O no hydrogen 3.016 N/A HIS 131.A N ASP 192.A OD2 no hydrogen 2.689 N/A HIS 131.A NE2 THR 150.A O no hydrogen 2.978 N/A ARG 132.A N ASP 192.A OD1 no hydrogen 3.037 N/A ARG 132.A NH1 LEU 154.A O no hydrogen 2.836 N/A ASP 133.A N HIS 131.A ND1 no hydrogen 2.853 N/A ALA 136.A N GLU 202.A OE1 no hydrogen 3.093 N/A ARG 137.A NH2 ASP 133.A OD1 no hydrogen 2.890 N/A ASN 138.A N ALA 135.A O no hydrogen 2.708 N/A ASN 138.A ND2 ASP 133.A O no hydrogen 2.487 N/A LEU 140.A N LYS 148.A O no hydrogen 2.793 N/A VAL 141.A N GLY 92.A O no hydrogen 2.961 N/A LYS 142.A N HIS 146.A O no hydrogen 2.911 N/A LYS 142.A NZ ASP 290.A OD2 no hydrogen 2.825 N/A LYS 142.A NZ ASP 292.A OD2 no hydrogen 2.463 N/A THR 143.A N HIS 146.A O no hydrogen 3.336 N/A GLN 145.A N THR 143.A OG1 no hydrogen 3.167 N/A HIS 146.A N THR 143.A O no hydrogen 2.961 N/A HIS 146.A NE2 PRO 68.A O no hydrogen 2.928 N/A LYS 148.A N LEU 140.A O no hydrogen 2.863 N/A LYS 148.A NZ GLN 87.A OE1 no hydrogen 2.854 N/A LYS 148.A NZ ASP 292.A OD1 no hydrogen 2.970 N/A LYS 148.A NZ ASP 292.A OD2 no hydrogen 3.401 N/A ILE 149.A N HIS 69.A O no hydrogen 2.927 N/A THR 150.A N ASN 138.A O no hydrogen 3.138 N/A ASP 151.A N THR 150.A OG1 no hydrogen 2.713 N/A GLY 153.A N ASP 151.A OD1 no hydrogen 3.127 N/A ALA 155.A N PHE 152.A O no hydrogen 2.946 N/A LYS 156.A N VAL 130.A O no hydrogen 2.908 N/A LEU 158.A N ARG 128.A O no hydrogen 2.839 N/A GLU 162.A N GLY 159.A O no hydrogen 3.006 N/A TYR 165.A N TYR 187.A O no hydrogen 3.052 N/A ALA 167.A N ARG 185.A O no hydrogen 2.852 N/A LYS 175.A NZ ILE 214.A O no hydrogen 3.414 N/A TRP 176.A N PRO 173.A O no hydrogen 3.294 N/A TRP 176.A NE1 GLU 202.A OE1 no hydrogen 2.820 N/A MET 177.A N ILE 174.A O no hydrogen 2.799 N/A GLU 180.A N GLU 180.A OE1 no hydrogen 2.545 N/A SER 181.A OG ILE 186.A O no hydrogen 2.736 N/A ILE 182.A N LEU 179.A O no hydrogen 2.990 N/A LEU 183.A N LEU 179.A O no hydrogen 3.015 N/A HIS 184.A N GLU 180.A O no hydrogen 3.128 N/A ILE 186.A N GLU 180.A O no hydrogen 3.430 N/A TYR 187.A N TYR 165.A O no hydrogen 3.224 N/A GLN 190.A NE2 ALA 251.A O no hydrogen 3.556 N/A GLN 190.A NE2 PRO 255.A O no hydrogen 3.422 N/A SER 191.A N THR 188.A OG1 no hydrogen 3.037 N/A ASP 192.A N THR 188.A O no hydrogen 3.163 N/A VAL 193.A N HIS 189.A O no hydrogen 3.079 N/A TRP 194.A N GLN 190.A O no hydrogen 3.210 N/A TRP 194.A N SER 191.A O no hydrogen 3.132 N/A SER 195.A OG TRP 176.A O no hydrogen 2.774 N/A SER 195.A OG SER 191.A O no hydrogen 3.534 N/A TYR 196.A N ASP 192.A O no hydrogen 2.924 N/A TYR 196.A OH CYS 114.A O no hydrogen 2.660 N/A GLY 197.A N VAL 193.A O no hydrogen 3.013 N/A VAL 198.A N TRP 194.A O no hydrogen 3.131 N/A THR 199.A N SER 195.A O no hydrogen 2.688 N/A THR 199.A OG1 SER 195.A O no hydrogen 2.562 N/A VAL 200.A N TYR 196.A O no hydrogen 2.726 N/A TRP 201.A N GLY 197.A O no hydrogen 3.108 N/A TRP 201.A NE1 PRO 230.A O no hydrogen 2.781 N/A GLU 202.A N VAL 198.A O no hydrogen 2.840 N/A LEU 203.A N THR 199.A O no hydrogen 3.109 N/A MET 204.A N VAL 200.A O no hydrogen 2.814 N/A THR 205.A N TRP 201.A O no hydrogen 3.066 N/A THR 205.A OG1 TRP 201.A O no hydrogen 2.678 N/A THR 205.A OG1 GLU 202.A O no hydrogen 2.905 N/A PHE 206.A N LEU 203.A O no hydrogen 2.856 N/A SER 208.A N THR 205.A OG1 no hydrogen 3.235 N/A SER 208.A OG THR 205.A O no hydrogen 3.237 N/A GLY 213.A N ASP 212.A OD1 no hydrogen 2.646 N/A ILE 219.A N PRO 215.A O no hydrogen 3.042 N/A SER 221.A N GLU 218.A O no hydrogen 2.506 N/A SER 221.A OG GLU 218.A O no hydrogen 2.278 N/A ILE 222.A N GLU 218.A O no hydrogen 3.427 N/A LEU 223.A N ILE 219.A O no hydrogen 3.053 N/A GLU 224.A N SER 220.A O no hydrogen 3.312 N/A GLU 224.A N SER 221.A O no hydrogen 2.973 N/A LYS 225.A N SER 221.A O no hydrogen 2.933 N/A GLY 226.A N ILE 222.A O no hydrogen 2.958 N/A GLU 227.A N ILE 222.A O no hydrogen 3.247 N/A ARG 228.A NE TRP 247.A O no hydrogen 2.935 N/A ARG 228.A NH1 LEU 223.A O no hydrogen 2.850 N/A ARG 228.A NH1 GLU 227.A O no hydrogen 2.442 N/A ARG 228.A NH2 TRP 247.A O no hydrogen 2.939 N/A GLN 231.A NE2 CYS 235.A O no hydrogen 3.140 N/A GLN 231.A NE2 THR 236.A O no hydrogen 3.679 N/A CYS 235.A N PRO 232.A O no hydrogen 3.109 N/A THR 236.A N TYR 274.A O no hydrogen 2.872 N/A TYR 240.A N THR 236.A O no hydrogen 3.372 N/A TYR 240.A OH LEU 229.A O no hydrogen 2.581 N/A MET 241.A N ILE 237.A O no hydrogen 2.862 N/A ILE 242.A N VAL 239.A O no hydrogen 2.997 N/A MET 243.A N VAL 239.A O no hydrogen 3.313 N/A VAL 244.A N TYR 240.A O no hydrogen 2.984 N/A LYS 245.A N MET 241.A O no hydrogen 3.107 N/A CYS 246.A N ILE 242.A O no hydrogen 3.195 N/A CYS 246.A SG VAL 193.A O no hydrogen 3.797 N/A CYS 246.A SG ILE 242.A O no hydrogen 3.538 N/A TRP 247.A N VAL 244.A O no hydrogen 2.891 N/A TRP 247.A NE1 TRP 194.A O no hydrogen 3.155 N/A MET 248.A N LYS 245.A O no hydrogen 3.268 N/A SER 253.A N ASP 250.A O no hydrogen 2.726 N/A SER 253.A OG ASP 250.A OD2 no hydrogen 2.810 N/A ARG 254.A N ALA 251.A O no hydrogen 3.257 N/A ARG 254.A NE MET 248.A O no hydrogen 3.064 N/A ARG 254.A NH1 GLU 180.A OE2 no hydrogen 3.012 N/A ARG 254.A NH1 GLN 190.A O no hydrogen 3.360 N/A ARG 254.A NH2 GLU 180.A OE1 no hydrogen 3.240 N/A ARG 254.A NH2 MET 248.A O no hydrogen 3.059 N/A LYS 256.A N GLU 259.A OE1 no hydrogen 2.736 N/A GLU 259.A N LYS 256.A O no hydrogen 2.657 N/A LEU 260.A N LYS 256.A O no hydrogen 3.165 N/A ILE 261.A N PHE 257.A O no hydrogen 3.121 N/A ILE 262.A N ARG 258.A O no hydrogen 3.400 N/A GLU 263.A N GLU 259.A O no hydrogen 2.725 N/A PHE 264.A N LEU 260.A O no hydrogen 2.991 N/A SER 265.A N ILE 261.A O no hydrogen 2.947 N/A LYS 266.A N ILE 262.A O no hydrogen 3.121 N/A MET 267.A N GLU 263.A O no hydrogen 3.366 N/A ALA 268.A N PHE 264.A O no hydrogen 2.884 N/A ARG 269.A N LYS 266.A O no hydrogen 3.126 N/A ASP 270.A N MET 267.A O no hydrogen 3.161 N/A ARG 273.A N ASP 270.A O no hydrogen 3.057 N/A TYR 274.A N PRO 271.A O no hydrogen 3.269 N/A LEU 275.A N PRO 271.A O no hydrogen 3.094 N/A VAL 276.A N ILE 234.A O no hydrogen 2.929 N/A VAL 289.A N LYS 40.A O no hydrogen 3.187 N/A ASP 292.A N ASP 290.A OD2 no hydrogen 3.077 N/A GLU 293.A N ASP 290.A O no hydrogen 2.946 N/A TYR 294.A N ALA 291.A O no hydrogen 2.847 N/A TYR 294.A OH GLU 37.A OE1 no hydrogen 3.126 N/A TYR 294.A OH GLU 37.A OE2 no hydrogen 3.080 N/A