Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1rxu_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG VAL 3.A O no hydrogen 3.068 N/A SER 1.A OG LEU 8.A O no hydrogen 3.355 N/A ASP 2.A N LEU 8.A O no hydrogen 2.811 N/A HIS 5.A N GLU 77.A OE1 no hydrogen 3.279 N/A HIS 5.A N GLU 77.A OE2 no hydrogen 2.865 N/A HIS 5.A ND1 GLU 77.A OE1 no hydrogen 2.757 N/A LEU 6.A N GLU 77.A OE2 no hydrogen 3.040 N/A THR 9.A N ASP 12.A OD2 no hydrogen 2.782 N/A THR 9.A OG1 ASP 12.A OD2 no hydrogen 2.974 N/A LYS 10.A N ASP 2.A OD2 no hydrogen 3.222 N/A ASP 12.A N THR 9.A O no hydrogen 2.803 N/A ASP 12.A N THR 9.A OG1 no hydrogen 3.315 N/A LEU 13.A N LYS 10.A O no hydrogen 3.388 N/A GLN 14.A N ASN 11.A O no hydrogen 3.280 N/A ALA 16.A N LEU 13.A O no hydrogen 3.140 N/A ALA 19.A N THR 85.A O no hydrogen 2.871 N/A ILE 20.A N ILE 60.A O no hydrogen 2.758 N/A VAL 21.A N LEU 87.A O no hydrogen 2.812 N/A ASP 26.A N ASP 24.A OD2 no hydrogen 3.019 N/A ARG 27.A N ASP 24.A O no hydrogen 3.009 N/A ARG 27.A NH1 GLU 235.A OE1 no hydrogen 3.433 N/A ARG 27.A NH2 ILE 89.A O no hydrogen 3.219 N/A VAL 28.A N PRO 25.A O no hydrogen 3.379 N/A ILE 31.A N ARG 27.A O no hydrogen 2.978 N/A ALA 32.A N VAL 28.A O no hydrogen 2.922 N/A ALA 33.A N GLU 29.A O no hydrogen 2.777 N/A LEU 34.A N ILE 31.A O no hydrogen 3.024 N/A MET 35.A N ALA 32.A O no hydrogen 2.992 N/A ASP 36.A N GLU 53.A O no hydrogen 2.989 N/A LYS 37.A NZ GLU 53.A OE1 no hydrogen 3.568 N/A VAL 39.A N ARG 51.A O no hydrogen 2.838 N/A LEU 41.A N THR 49.A O no hydrogen 2.740 N/A ALA 42.A N THR 49.A O no hydrogen 3.177 N/A SER 43.A OG THR 48.A OG1 no hydrogen 3.400 N/A HIS 44.A N PHE 47.A O no hydrogen 2.989 N/A GLU 46.A N GLU 46.A OE1 no hydrogen 3.013 N/A PHE 47.A N HIS 44.A O no hydrogen 2.698 N/A THR 48.A N SER 63.A OG no hydrogen 2.790 N/A THR 48.A OG1 SER 43.A OG no hydrogen 3.400 N/A THR 49.A N ALA 42.A O no hydrogen 2.849 N/A TRP 50.A N VAL 61.A O no hydrogen 2.854 N/A ARG 51.A N VAL 39.A O no hydrogen 2.878 N/A ARG 51.A NH2 ASP 12.A O no hydrogen 2.977 N/A ALA 52.A N VAL 59.A O no hydrogen 2.929 N/A GLU 53.A N ASP 36.A O no hydrogen 2.641 N/A LEU 54.A N LYS 57.A O no hydrogen 2.790 N/A LYS 57.A N LEU 54.A O no hydrogen 2.911 N/A VAL 59.A N ALA 52.A O no hydrogen 2.833 N/A ILE 60.A N LEU 18.A O no hydrogen 3.035 N/A VAL 61.A N TRP 50.A O no hydrogen 2.816 N/A CYS 62.A N ILE 20.A O no hydrogen 2.824 N/A CYS 62.A SG THR 49.A OG1 no hydrogen 3.290 N/A CYS 62.A SG SER 63.A O no hydrogen 3.639 N/A SER 63.A N THR 48.A O no hydrogen 3.047 N/A SER 63.A OG GLU 46.A O no hydrogen 2.652 N/A THR 64.A N PRO 22.A O no hydrogen 2.962 N/A THR 64.A OG1 PRO 22.A O no hydrogen 3.384 N/A THR 64.A OG1 GLY 65.A O no hydrogen 3.008 N/A GLY 65.A N GLY 23.A O no hydrogen 2.953 N/A GLY 67.A N GLU 195.A OE2 no hydrogen 2.487 N/A SER 70.A OG THR 64.A O no hydrogen 2.686 N/A SER 70.A OG ILE 66.A O no hydrogen 3.548 N/A THR 71.A N GLY 67.A O no hydrogen 3.255 N/A THR 71.A OG1 GLY 67.A O no hydrogen 2.776 N/A SER 72.A N GLY 68.A O no hydrogen 2.731 N/A SER 72.A OG PRO 69.A O no hydrogen 2.591 N/A ILE 73.A N PRO 69.A O no hydrogen 3.061 N/A ALA 74.A N SER 70.A O no hydrogen 2.981 N/A VAL 75.A N THR 71.A O no hydrogen 2.878 N/A GLU 76.A N SER 72.A O no hydrogen 3.216 N/A GLU 77.A N ILE 73.A O no hydrogen 3.054 N/A LEU 78.A N ALA 74.A O no hydrogen 2.906 N/A ALA 79.A N VAL 75.A O no hydrogen 2.847 N/A GLN 80.A N GLU 76.A O no hydrogen 2.975 N/A GLN 80.A NE2 GLU 76.A OE2 no hydrogen 2.827 N/A LEU 81.A N GLU 77.A O no hydrogen 3.067 N/A GLY 82.A N ALA 79.A O no hydrogen 2.889 N/A ILE 83.A N LEU 78.A O no hydrogen 2.836 N/A ARG 84.A N THR 17.A O no hydrogen 2.670 N/A ARG 84.A NH1 ALA 79.A O no hydrogen 2.836 N/A ARG 84.A NH1 ILE 83.A O no hydrogen 3.011 N/A THR 85.A N THR 17.A O no hydrogen 3.020 N/A PHE 86.A N ARG 209.A O no hydrogen 2.731 N/A LEU 87.A N ALA 19.A O no hydrogen 2.872 N/A ARG 88.A N GLY 211.A O no hydrogen 2.811 N/A GLY 90.A N VAL 213.A O no hydrogen 2.801 N/A THR 92.A N GLY 215.A O no hydrogen 3.014 N/A THR 92.A OG1 GLY 93.A O no hydrogen 3.520 N/A THR 92.A OG1 TYR 192.A O no hydrogen 2.471 N/A GLY 93.A N TYR 192.A O no hydrogen 3.343 N/A ALA 94.A N VAL 218.A O no hydrogen 2.860 N/A ILE 95.A N MET 190.A O no hydrogen 2.758 N/A GLN 96.A NE2 GLN 185.A O no hydrogen 2.849 N/A GLN 96.A NE2 VAL 189.A O no hydrogen 2.929 N/A ILE 99.A N GLN 96.A O no hydrogen 3.355 N/A ASN 100.A N ASP 103.A OD2 no hydrogen 2.758 N/A GLY 102.A N VAL 216.A O no hydrogen 3.033 N/A ASP 103.A N ASN 100.A O no hydrogen 2.896 N/A VAL 104.A N THR 147.A O no hydrogen 3.122 N/A LEU 105.A N ALA 214.A O no hydrogen 2.892 N/A VAL 106.A N HIS 149.A O no hydrogen 2.853 N/A THR 107.A N MET 212.A O no hydrogen 3.180 N/A THR 107.A OG1 THR 153.A OG1 no hydrogen 2.939 N/A THR 108.A N GLY 151.A O no hydrogen 2.823 N/A SER 110.A N ALA 127.A O no hydrogen 2.930 N/A SER 110.A OG SER 196.A OG no hydrogen 2.657 N/A VAL 111.A N THR 153.A O no hydrogen 2.629 N/A ARG 112.A NE SER 117.A OG no hydrogen 2.708 N/A ARG 112.A NH1 PRO 122.A O no hydrogen 2.658 N/A ARG 112.A NH1 PHE 125.A O no hydrogen 2.705 N/A ARG 112.A NH2 SER 117.A OG no hydrogen 2.847 N/A ARG 112.A NH2 ALA 121.A O no hydrogen 2.658 N/A LEU 113.A N VAL 111.A O no hydrogen 2.906 N/A LEU 113.A N SER 155.A O no hydrogen 2.867 N/A SER 117.A N ASP 114.A OD1 no hydrogen 2.808 N/A SER 117.A OG ASP 114.A OD2 no hydrogen 2.826 N/A LEU 118.A N GLY 115.A O no hydrogen 3.175 N/A HIS 119.A N ALA 116.A O no hydrogen 2.751 N/A PHE 120.A N SER 117.A O no hydrogen 2.918 N/A ALA 121.A N SER 117.A O no hydrogen 2.979 N/A GLU 124.A N GLU 124.A OE1 no hydrogen 2.677 N/A PHE 125.A N PRO 122.A O no hydrogen 2.845 N/A VAL 128.A N PRO 126.A O no hydrogen 2.779 N/A ALA 129.A N THR 108.A O no hydrogen 2.858 N/A ASP 130.A N ALA 210.A O no hydrogen 2.900 N/A CYS 133.A N ASP 130.A OD1 no hydrogen 2.731 N/A CYS 133.A SG ASP 130.A OD1 no hydrogen 3.230 N/A THR 134.A N ASP 130.A O no hydrogen 2.936 N/A THR 134.A OG1 ASP 130.A O no hydrogen 3.000 N/A THR 135.A N PHE 131.A O no hydrogen 3.008 N/A THR 135.A OG1 PHE 131.A O no hydrogen 2.996 N/A ALA 136.A N GLU 132.A O no hydrogen 2.859 N/A LEU 137.A N CYS 133.A O no hydrogen 2.849 N/A VAL 138.A N THR 134.A O no hydrogen 2.791 N/A GLU 139.A N THR 135.A O no hydrogen 2.938 N/A ALA 140.A N ALA 136.A O no hydrogen 2.825 N/A ALA 141.A N LEU 137.A O no hydrogen 2.870 N/A LYS 142.A N VAL 138.A O no hydrogen 3.082 N/A SER 143.A N GLU 139.A O no hydrogen 2.930 N/A SER 143.A OG ALA 140.A O no hydrogen 3.096 N/A ILE 144.A N ALA 140.A O no hydrogen 3.228 N/A GLY 145.A N LYS 142.A O no hydrogen 3.110 N/A THR 147.A OG1 ASP 103.A OD1 no hydrogen 3.099 N/A THR 148.A OG1 ALA 146.A O no hydrogen 3.266 N/A HIS 149.A N VAL 104.A O no hydrogen 2.947 N/A HIS 149.A NE2 ASP 103.A OD2 no hydrogen 3.051 N/A GLY 151.A N VAL 106.A O no hydrogen 2.997 N/A THR 153.A N ALA 109.A O no hydrogen 3.052 N/A THR 153.A OG1 THR 107.A OG1 no hydrogen 2.939 N/A THR 153.A OG1 ASN 191.A OD1 no hydrogen 2.712 N/A ALA 154.A N ASN 191.A O no hydrogen 2.791 N/A SER 155.A N VAL 111.A O no hydrogen 3.049 N/A SER 155.A OG GLU 193.A OE2 no hydrogen 2.679 N/A SER 155.A OG SER 196.A OG no hydrogen 3.413 N/A SER 156.A N GLU 193.A O no hydrogen 2.765 N/A SER 156.A OG THR 158.A O no hydrogen 2.604 N/A ASP 157.A N LEU 113.A O no hydrogen 2.812 N/A THR 158.A N SER 156.A OG no hydrogen 2.832 N/A GLY 162.A N THR 158.A OG1 no hydrogen 2.842 N/A GLN 163.A N TYR 160.A O no hydrogen 3.218 N/A GLN 163.A NE2 THR 158.A O no hydrogen 2.852 N/A GLU 164.A N PRO 161.A O no hydrogen 2.769 N/A ARG 165.A N TYR 160.A O no hydrogen 2.840 N/A ARG 165.A NE GLU 224.A O no hydrogen 2.792 N/A ARG 165.A NH1 PHE 159.A O no hydrogen 2.938 N/A ARG 165.A NH1 GLN 163.A OE1 no hydrogen 3.008 N/A ARG 165.A NH2 GLU 224.A O no hydrogen 2.787 N/A TYR 166.A N GLU 224.A OE2 no hydrogen 2.916 N/A TYR 166.A OH GLU 164.A OE1 no hydrogen 2.678 N/A ASP 167.A N GLU 224.A OE1 no hydrogen 3.036 N/A THR 168.A OG1 TYR 166.A O no hydrogen 3.420 N/A GLY 171.A N THR 168.A OG1 no hydrogen 3.021 N/A ARG 172.A N SER 170.A OG no hydrogen 3.373 N/A PHE 177.A N VAL 174.A O no hydrogen 2.826 N/A LYS 178.A N ARG 175.A O no hydrogen 3.083 N/A LYS 178.A NZ TYR 166.A OH no hydrogen 3.070 N/A GLY 179.A N GLU 164.A OE1 no hydrogen 2.746 N/A SER 180.A N PHE 177.A O no hydrogen 2.894 N/A SER 180.A OG PHE 177.A O no hydrogen 2.756 N/A MET 181.A N GLU 164.A OE2 no hydrogen 2.936 N/A GLU 183.A N GLY 179.A O no hydrogen 3.382 N/A TRP 184.A N SER 180.A O no hydrogen 2.985 N/A GLN 185.A N MET 181.A O no hydrogen 2.859 N/A ALA 186.A N GLU 182.A O no hydrogen 2.968 N/A MET 187.A N GLU 183.A O no hydrogen 3.095 N/A GLY 188.A N GLN 185.A O no hydrogen 2.946 N/A VAL 189.A N TRP 184.A O no hydrogen 2.957 N/A MET 190.A N VAL 152.A O no hydrogen 3.000 N/A ASN 191.A ND2 THR 92.A OG1 no hydrogen 2.873 N/A TYR 192.A N GLY 93.A O no hydrogen 2.976 N/A GLU 193.A N ALA 154.A O no hydrogen 3.029 N/A GLU 195.A N GLU 193.A OE1 no hydrogen 2.978 N/A SER 196.A N GLU 193.A OE1 no hydrogen 3.026 N/A SER 196.A N GLU 193.A OE2 no hydrogen 2.851 N/A SER 196.A OG SER 110.A OG no hydrogen 2.657 N/A SER 196.A OG GLU 193.A OE2 no hydrogen 2.455 N/A ALA 197.A N SER 155.A OG no hydrogen 3.075 N/A THR 198.A OG1 ASP 114.A OD1 no hydrogen 2.711 N/A LEU 199.A N GLU 195.A O no hydrogen 2.899 N/A LEU 200.A N SER 196.A O no hydrogen 2.650 N/A THR 201.A N ALA 197.A O no hydrogen 3.058 N/A THR 201.A OG1 ALA 197.A O no hydrogen 2.852 N/A MET 202.A N THR 198.A O no hydrogen 3.010 N/A CYS 203.A N LEU 199.A O no hydrogen 3.109 N/A CYS 203.A SG LEU 199.A O no hydrogen 3.426 N/A ALA 204.A N LEU 200.A O no hydrogen 2.789 N/A SER 205.A N THR 201.A O no hydrogen 3.043 N/A SER 205.A OG THR 201.A O no hydrogen 2.791 N/A SER 205.A OG MET 202.A O no hydrogen 3.487 N/A GLN 206.A N CYS 203.A O no hydrogen 3.091 N/A GLN 206.A NE2 MET 202.A O no hydrogen 2.846 N/A LEU 208.A N CYS 203.A O no hydrogen 2.994 N/A ARG 209.A N ARG 84.A O no hydrogen 3.009 N/A ARG 209.A NE THR 85.A OG1 no hydrogen 3.016 N/A ARG 209.A NH1 GLU 132.A OE1 no hydrogen 3.068 N/A ARG 209.A NH2 THR 85.A OG1 no hydrogen 3.091 N/A ARG 209.A NH2 LEU 249.A O no hydrogen 3.180 N/A GLY 211.A N PHE 86.A O no hydrogen 2.841 N/A VAL 213.A N ARG 88.A O no hydrogen 2.902 N/A ALA 214.A N LEU 105.A O no hydrogen 3.088 N/A GLY 215.A N GLY 90.A O no hydrogen 2.897 N/A VAL 216.A N ASP 103.A O no hydrogen 3.054 N/A ILE 217.A N THR 92.A O no hydrogen 3.059 N/A ASN 219.A ND2 GLN 96.A O no hydrogen 2.761 N/A ASN 219.A ND2 ILE 99.A O no hydrogen 2.728 N/A ARG 220.A N ALA 94.A O no hydrogen 2.731 N/A ARG 220.A NH1 GLN 163.A O no hydrogen 2.737 N/A ARG 220.A NH2 GLN 163.A O no hydrogen 2.898 N/A THR 221.A N ASN 219.A OD1 no hydrogen 2.908 N/A THR 221.A OG1 ASN 219.A OD1 no hydrogen 2.404 N/A GLN 222.A N ASN 219.A O no hydrogen 3.010 N/A GLN 223.A N ASN 219.A O no hydrogen 3.176 N/A GLN 223.A NE2 ILE 225.A O no hydrogen 3.158 N/A ASN 227.A ND2 GLN 223.A OE1 no hydrogen 3.307 N/A THR 230.A OG1 THR 230.A O no hydrogen 2.556 N/A MET 231.A N ALA 228.A O no hydrogen 3.437 N/A THR 234.A OG1 THR 230.A O no hydrogen 3.256 N/A GLU 235.A N MET 231.A O no hydrogen 3.370 N/A SER 236.A N LYS 232.A O no hydrogen 3.187 N/A HIS 237.A N THR 234.A O no hydrogen 3.103 N/A ALA 238.A N THR 234.A O no hydrogen 3.345 N/A VAL 239.A N GLU 235.A O no hydrogen 3.104 N/A LYS 240.A N SER 236.A O no hydrogen 3.458 N/A ILE 241.A N HIS 237.A O no hydrogen 3.406 N/A VAL 242.A N ALA 238.A O no hydrogen 2.954 N/A VAL 243.A N VAL 239.A O no hydrogen 3.113 N/A GLU 244.A N LYS 240.A O no hydrogen 3.152 N/A ALA 245.A N ILE 241.A O no hydrogen 2.804 N/A ALA 246.A N VAL 242.A O no hydrogen 2.877 N/A ARG 247.A N VAL 243.A O no hydrogen 2.995 N/A ARG 247.A NE GLU 244.A OE2 no hydrogen 3.008 N/A ARG 247.A NH1 GLU 244.A OE1 no hydrogen 3.152 N/A ARG 247.A NH1 GLU 244.A OE2 no hydrogen 3.484 N/A ARG 247.A NH2 ASP 55.A OD1 no hydrogen 3.490 N/A ARG 247.A NH2 ASP 55.A OD2 no hydrogen 3.027 N/A ARG 248.A N GLU 244.A O no hydrogen 3.194 N/A ARG 248.A NE GLU 244.A OE1 no hydrogen 3.157 N/A ARG 248.A NH2 GLU 244.A OE1 no hydrogen 3.244 N/A LEU 249.A N ALA 246.A O no hydrogen 2.838 N/A LEU 250.A N ARG 247.A O no hydrogen 3.422 N/A