Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1hug_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 2.A N ASN 7.A O no hydrogen 2.915 N/A ASN 7.A N ASP 4.A O no hydrogen 3.205 N/A GLN 11.A N GLY 8.A O no hydrogen 2.949 N/A TRP 12.A NE1 GLY 2.A O no hydrogen 2.920 N/A LEU 15.A N TRP 12.A O no hydrogen 2.942 N/A TYR 16.A N TRP 12.A O no hydrogen 2.561 N/A ALA 19.A N TYR 16.A O no hydrogen 2.540 N/A ASN 20.A N PRO 17.A O no hydrogen 2.980 N/A GLY 21.A N ILE 18.A O no hydrogen 2.619 N/A ASN 23.A N GLU 201.A OE2 no hydrogen 3.184 N/A ASN 23.A ND2 GLU 201.A OE1 no hydrogen 2.857 N/A GLN 24.A NE2 LEU 199.A O no hydrogen 3.220 N/A GLN 24.A NE2 GLU 201.A OE2 no hydrogen 3.055 N/A SER 25.A N SER 193.A OG no hydrogen 3.071 N/A SER 25.A OG TYR 190.A OH no hydrogen 2.692 N/A ILE 29.A N THR 104.A O no hydrogen 2.803 N/A LYS 30.A NZ ASP 28.A OD2 no hydrogen 3.264 N/A THR 31.A N ASP 106.A OD1 no hydrogen 2.996 N/A THR 31.A OG1 ASP 106.A OD1 no hydrogen 3.321 N/A THR 31.A OG1 ASP 106.A OD2 no hydrogen 2.715 N/A GLU 33.A N LYS 30.A O no hydrogen 3.016 N/A THR 34.A OG1 THR 31.A O no hydrogen 3.397 N/A LYS 35.A N VAL 252.A O no hydrogen 2.771 N/A HIS 36.A ND1 ALA 254.A O no hydrogen 3.133 N/A ASP 37.A N ALA 254.A O no hydrogen 3.137 N/A SER 39.A N ASP 37.A OD1 no hydrogen 2.777 N/A SER 39.A OG ASP 37.A OD1 no hydrogen 2.622 N/A LEU 40.A N ASP 37.A O no hydrogen 3.443 N/A LYS 41.A N GLY 78.A O no hydrogen 3.119 N/A SER 44.A N LYS 76.A O no hydrogen 2.672 N/A SER 46.A N VAL 74.A O no hydrogen 3.103 N/A TYR 47.A OH HIS 118.A NE2 no hydrogen 2.669 N/A ASN 48.A N SER 73.A OG no hydrogen 2.741 N/A ALA 50.A N ASN 48.A OD1 no hydrogen 3.019 N/A THR 51.A N ASN 48.A O no hydrogen 2.905 N/A THR 51.A OG1 ASN 48.A O no hydrogen 2.699 N/A THR 51.A OG1 SER 73.A OG no hydrogen 2.785 N/A ALA 52.A N PRO 49.A O no hydrogen 2.972 N/A LYS 53.A N ASN 65.A O no hydrogen 2.956 N/A GLU 54.A N ASN 65.A O no hydrogen 3.151 N/A ILE 55.A N ALA 170.A O no hydrogen 2.806 N/A ILE 56.A N HIS 63.A O no hydrogen 2.892 N/A ASN 57.A N LYS 168.A O no hydrogen 3.018 N/A ASN 57.A ND2 ILE 163.A O no hydrogen 2.945 N/A ASN 57.A ND2 LEU 226.A O no hydrogen 3.372 N/A VAL 58.A N SER 61.A O no hydrogen 2.901 N/A GLY 59.A N ASN 57.A OD1 no hydrogen 2.863 N/A SER 61.A OG PHE 91.A O no hydrogen 3.532 N/A HIS 63.A N ILE 56.A O no hydrogen 2.876 N/A VAL 64.A N PHE 89.A O no hydrogen 3.067 N/A ASN 65.A N GLU 54.A O no hydrogen 2.767 N/A ASN 65.A ND2 GLU 54.A OE2 no hydrogen 3.322 N/A PHE 66.A N PHE 87.A O no hydrogen 3.173 N/A GLU 67.A N THR 51.A O no hydrogen 2.916 N/A ARG 72.A NE ASP 70.A OD1 no hydrogen 2.655 N/A ARG 72.A NH2 GLU 67.A OE1 no hydrogen 3.445 N/A ARG 72.A NH2 ASP 70.A OD1 no hydrogen 3.354 N/A SER 73.A OG ASN 48.A O no hydrogen 3.464 N/A SER 73.A OG THR 51.A OG1 no hydrogen 2.785 N/A VAL 74.A N SER 46.A O no hydrogen 2.947 N/A LEU 75.A N TYR 84.A O no hydrogen 2.692 N/A LYS 76.A N SER 44.A O no hydrogen 2.832 N/A GLY 78.A N PRO 42.A O no hydrogen 3.219 N/A PHE 80.A N GLY 77.A O no hydrogen 3.063 N/A TYR 84.A N LEU 75.A O no hydrogen 2.948 N/A TYR 84.A OH ASP 135.A O no hydrogen 2.857 N/A ARG 85.A N TRP 119.A O no hydrogen 3.014 N/A ARG 85.A NE ASN 71.A OD1 no hydrogen 2.742 N/A ARG 85.A NH1 ASP 68.A O no hydrogen 3.096 N/A ARG 85.A NH2 ASN 71.A OD1 no hydrogen 2.694 N/A LEU 86.A N SER 73.A O no hydrogen 3.081 N/A PHE 87.A N ALA 117.A O no hydrogen 2.967 N/A GLN 88.A N ALA 117.A O no hydrogen 3.424 N/A GLN 88.A NE2 ASN 65.A OD1 no hydrogen 3.225 N/A PHE 89.A N VAL 64.A O no hydrogen 2.940 N/A HIS 90.A N HIS 115.A O no hydrogen 2.924 N/A HIS 90.A ND1 GLN 88.A OE1 no hydrogen 2.804 N/A HIS 90.A NE2 HIS 92.A NE2 no hydrogen 3.079 N/A HIS 92.A N GLU 113.A O no hydrogen 2.870 N/A HIS 92.A ND1 ASN 240.A O no hydrogen 2.777 N/A HIS 92.A NE2 HIS 90.A NE2 no hydrogen 3.079 N/A TRP 93.A N ASN 240.A OD1 no hydrogen 2.875 N/A TRP 93.A NE1 MET 237.A O no hydrogen 2.755 N/A HIS 99.A N THR 96.A OG1 no hydrogen 3.164 N/A GLY 100.A N TYR 110.A O no hydrogen 2.684 N/A SER 101.A N TYR 110.A O no hydrogen 3.034 N/A SER 101.A OG HIS 103.A O no hydrogen 2.724 N/A GLU 102.A N GLU 113.A OE1 no hydrogen 3.035 N/A HIS 103.A N GLU 113.A OE1 no hydrogen 3.093 N/A HIS 103.A ND1 GLU 113.A OE2 no hydrogen 2.896 N/A HIS 103.A NE2 TYR 190.A OH no hydrogen 2.590 N/A THR 104.A OG1 ASP 28.A OD1 no hydrogen 2.576 N/A VAL 105.A N VAL 108.A O no hydrogen 3.090 N/A ASP 106.A N ILE 29.A O no hydrogen 2.688 N/A GLY 107.A N ASP 28.A OD1 no hydrogen 2.876 N/A VAL 108.A N VAL 105.A O no hydrogen 2.908 N/A LYS 109.A NZ SER 101.A O no hydrogen 3.511 N/A LYS 109.A NZ ASN 241.A OD1 no hydrogen 2.950 N/A TYR 110.A N SER 101.A OG no hydrogen 2.984 N/A SER 111.A N MET 144.A O no hydrogen 3.057 N/A SER 111.A OG ASN 97.A O no hydrogen 3.024 N/A ALA 112.A N MET 144.A O no hydrogen 3.291 N/A GLU 113.A N HIS 92.A O no hydrogen 3.081 N/A LEU 114.A N VAL 142.A O no hydrogen 2.925 N/A HIS 115.A N HIS 90.A O no hydrogen 2.983 N/A HIS 115.A NE2 GLU 113.A OE2 no hydrogen 2.579 N/A VAL 116.A N ILE 140.A O no hydrogen 3.044 N/A ALA 117.A N GLN 88.A O no hydrogen 2.878 N/A HIS 118.A N ALA 138.A O no hydrogen 2.943 N/A HIS 118.A ND1 ALA 138.A O no hydrogen 3.075 N/A HIS 118.A NE2 TYR 47.A OH no hydrogen 2.669 N/A TRP 119.A N ARG 85.A O no hydrogen 2.841 N/A TRP 119.A NE1 ASP 68.A OD2 no hydrogen 2.497 N/A ASN 120.A N GLY 136.A O no hydrogen 2.699 N/A ASN 120.A ND2 ASP 82.A OD2 no hydrogen 3.392 N/A ASN 120.A ND2 ASP 135.A O no hydrogen 3.366 N/A SER 121.A OG ASN 71.A OD1 no hydrogen 3.172 N/A LYS 123.A N ASN 120.A OD1 no hydrogen 3.139 N/A LYS 123.A NZ ASP 82.A OD2 no hydrogen 3.204 N/A TYR 124.A N ASN 120.A O no hydrogen 3.085 N/A TYR 124.A OH ASP 135.A OD1 no hydrogen 2.451 N/A SER 125.A N GLU 129.A OE1 no hydrogen 2.604 N/A SER 125.A OG GLU 129.A OE1 no hydrogen 2.510 N/A ALA 130.A N SER 126.A O no hydrogen 3.078 N/A ALA 131.A N LEU 127.A O no hydrogen 2.642 N/A LYS 133.A N ALA 130.A O no hydrogen 3.009 N/A LYS 133.A NZ SER 132.A OG no hydrogen 3.407 N/A GLY 136.A N LYS 133.A O no hydrogen 2.911 N/A LEU 137.A N SER 202.A O no hydrogen 2.997 N/A ALA 138.A N HIS 118.A O no hydrogen 3.035 N/A VAL 139.A N THR 204.A O no hydrogen 3.094 N/A ILE 140.A N VAL 116.A O no hydrogen 2.773 N/A GLY 141.A N ILE 206.A O no hydrogen 2.868 N/A VAL 142.A N LEU 114.A O no hydrogen 2.857 N/A MET 144.A N ALA 112.A O no hydrogen 3.006 N/A LYS 145.A N ILE 212.A O no hydrogen 2.857 N/A VAL 146.A N SER 111.A OG no hydrogen 2.947 N/A GLY 147.A N VAL 214.A O no hydrogen 2.750 N/A ASN 150.A N GLN 218.A OE1 no hydrogen 3.179 N/A ASN 150.A ND2 SER 213.A O no hydrogen 3.028 N/A LYS 152.A N ASN 150.A OD1 no hydrogen 2.968 N/A LEU 153.A N ASN 150.A O no hydrogen 3.343 N/A GLN 154.A N PRO 151.A O no hydrogen 3.413 N/A GLN 154.A NE2 ASP 158.A OD1 no hydrogen 2.482 N/A VAL 156.A N LEU 153.A O no hydrogen 2.962 N/A LEU 157.A N LEU 153.A O no hydrogen 2.978 N/A ASP 158.A N GLN 154.A O no hydrogen 2.811 N/A ALA 159.A N LYS 155.A O no hydrogen 3.236 N/A LEU 160.A N LEU 157.A O no hydrogen 3.146 N/A GLN 161.A N ASP 158.A O no hydrogen 3.429 N/A ALA 162.A N ALA 159.A O no hydrogen 3.132 N/A ILE 163.A N LEU 160.A O no hydrogen 3.182 N/A LYS 164.A NZ SER 224.A O no hydrogen 3.486 N/A LYS 166.A N ASN 228.A O no hydrogen 2.982 N/A GLY 167.A N ASN 57.A O no hydrogen 2.848 N/A LYS 168.A N THR 165.A O no hydrogen 3.180 N/A LYS 168.A NZ GLU 230.A OE1 no hydrogen 3.501 N/A LYS 168.A NZ GLU 230.A OE2 no hydrogen 3.466 N/A ARG 169.A NE GLU 54.A OE1 no hydrogen 3.437 N/A ALA 170.A N ILE 55.A O no hydrogen 2.871 N/A PHE 172.A N LYS 53.A O no hydrogen 3.036 N/A PHE 175.A N PRO 49.A O no hydrogen 3.146 N/A SER 178.A N ASP 176.A OD1 no hydrogen 2.920 N/A SER 178.A OG ASP 176.A OD1 no hydrogen 2.783 N/A SER 178.A OG ASP 176.A OD2 no hydrogen 3.077 N/A THR 179.A N ASP 176.A O no hydrogen 3.071 N/A THR 179.A OG1 ASP 176.A O no hydrogen 2.715 N/A LEU 180.A N PRO 177.A O no hydrogen 2.997 N/A LEU 181.A N SER 178.A O no hydrogen 3.196 N/A PHE 187.A N SER 255.A OG no hydrogen 3.108 N/A TRP 188.A N ILE 207.A O no hydrogen 2.933 N/A THR 189.A N ARG 253.A O no hydrogen 2.801 N/A THR 189.A OG1 TRP 205.A O no hydrogen 2.520 N/A TYR 190.A N TRP 205.A O no hydrogen 3.241 N/A TYR 190.A OH SER 25.A OG no hydrogen 2.692 N/A TYR 190.A OH HIS 103.A NE2 no hydrogen 2.590 N/A GLY 192.A N VAL 203.A O no hydrogen 2.618 N/A SER 193.A N SER 25.A OG no hydrogen 3.134 N/A SER 193.A OG LEU 194.A O no hydrogen 2.585 N/A LEU 194.A N TYR 200.A O no hydrogen 2.867 N/A THR 195.A OG1 GLU 102.A OE1 no hydrogen 2.538 N/A THR 195.A OG1 GLU 102.A OE2 no hydrogen 3.520 N/A HIS 196.A ND1 PRO 197.A O no hydrogen 3.172 N/A LEU 199.A N HIS 196.A O no hydrogen 2.971 N/A SER 202.A OG ALA 131.A O no hydrogen 2.471 N/A VAL 203.A N GLY 192.A O no hydrogen 3.139 N/A THR 204.A N LEU 137.A O no hydrogen 2.863 N/A TRP 205.A N TYR 190.A O no hydrogen 3.051 N/A TRP 205.A NE1 SER 193.A O no hydrogen 3.238 N/A ILE 206.A N VAL 139.A O no hydrogen 2.985 N/A ILE 207.A N TRP 188.A O no hydrogen 2.764 N/A CYS 208.A N GLY 141.A O no hydrogen 2.884 N/A LYS 209.A N ASP 186.A O no hydrogen 3.035 N/A ILE 212.A N LEU 143.A O no hydrogen 2.811 N/A SER 213.A OG GLU 148.A O no hydrogen 3.221 N/A VAL 214.A N LYS 145.A O no hydrogen 3.268 N/A SER 215.A N GLN 218.A OE1 no hydrogen 3.000 N/A GLN 218.A NE2 ASN 150.A O no hydrogen 2.938 N/A LEU 219.A N SER 215.A O no hydrogen 3.057 N/A ALA 220.A N SER 216.A O no hydrogen 2.869 N/A GLN 221.A N GLU 217.A O no hydrogen 3.207 N/A GLN 221.A N GLN 218.A O no hydrogen 3.132 N/A ARG 223.A N LEU 219.A O no hydrogen 3.099 N/A ARG 223.A NH1 GLY 94.A O no hydrogen 2.720 N/A ARG 223.A NH2 ASN 97.A OD1 no hydrogen 2.225 N/A SER 224.A N GLN 221.A O no hydrogen 3.232 N/A SER 224.A OG ALA 220.A O no hydrogen 2.670 N/A LEU 225.A N PHE 222.A O no hydrogen 3.123 N/A LEU 226.A N LYS 164.A O no hydrogen 3.152 N/A SER 227.A N VAL 235.A O no hydrogen 2.842 N/A SER 227.A OG GLY 59.A O no hydrogen 2.987 N/A ASN 228.A ND2 VAL 229.A O no hydrogen 2.905 N/A ASP 232.A N VAL 229.A O no hydrogen 3.345 N/A VAL 235.A N ASN 228.A OD1 no hydrogen 3.012 N/A MET 237.A N LEU 225.A O no hydrogen 2.856 N/A ASN 240.A N TRP 93.A O no hydrogen 3.011 N/A ASN 240.A ND2 HIS 60.A O no hydrogen 2.937 N/A ASN 241.A ND2 TRP 93.A O no hydrogen 2.996 N/A ARG 242.A N GLU 102.A OE2 no hydrogen 2.735 N/A ARG 242.A NH1 GLN 24.A OE1 no hydrogen 2.977 N/A ARG 242.A NH1 SER 25.A O no hydrogen 2.850 N/A ARG 242.A NH2 GLN 24.A OE1 no hydrogen 3.121 N/A GLN 245.A N PRO 26.A O no hydrogen 2.873 N/A GLN 245.A NE2 PRO 243.A O no hydrogen 2.760 N/A LYS 248.A NZ GLY 21.A O no hydrogen 2.979 N/A ARG 250.A N LEU 247.A O no hydrogen 3.295 N/A ARG 250.A NE LEU 247.A O no hydrogen 2.705 N/A ARG 250.A NH1 GLN 24.A O no hydrogen 2.975 N/A ARG 250.A NH1 PRO 191.A O no hydrogen 2.965 N/A ARG 250.A NH2 GLN 24.A O no hydrogen 2.758 N/A ARG 250.A NH2 PRO 246.A O no hydrogen 3.011 N/A ARG 250.A NH2 LEU 247.A O no hydrogen 3.485 N/A ARG 253.A N THR 189.A O no hydrogen 2.971 N/A ARG 253.A NH1 ASP 37.A OD2 no hydrogen 2.885 N/A ALA 254.A N LYS 35.A O no hydrogen 2.984 N/A SER 255.A N PHE 187.A O no hydrogen 2.960 N/A SER 255.A OG PHE 187.A O no hydrogen 3.449 N/A