Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1txi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE ARG 198.A O no hydrogen 2.767 N/A ARG 2.A NH2 CYS 199.A O no hydrogen 3.519 N/A GLN 9.A N SER 6.A OG no hydrogen 3.096 N/A GLN 10.A N SER 6.A O no hydrogen 2.966 N/A ARG 11.A N GLU 7.A O no hydrogen 2.999 N/A ILE 12.A N GLU 8.A O no hydrogen 2.932 N/A ILE 13.A N GLN 9.A O no hydrogen 3.172 N/A ALA 14.A N GLN 10.A O no hydrogen 3.048 N/A ILE 15.A N ARG 11.A O no hydrogen 2.930 N/A LEU 16.A N ILE 12.A O no hydrogen 3.004 N/A LEU 17.A N ILE 13.A O no hydrogen 2.911 N/A ASP 18.A N ALA 14.A O no hydrogen 3.037 N/A ALA 19.A N ILE 15.A O no hydrogen 2.918 N/A HIS 20.A N LEU 16.A O no hydrogen 2.925 N/A HIS 21.A N LEU 17.A O no hydrogen 2.964 N/A LYS 22.A N ASP 18.A O no hydrogen 3.032 N/A LYS 22.A NZ ASP 18.A OD1 no hydrogen 3.080 N/A THR 23.A N HIS 20.A O no hydrogen 3.092 N/A THR 23.A OG1 ALA 19.A O no hydrogen 2.747 N/A THR 23.A OG1 HIS 20.A O no hydrogen 3.536 N/A TYR 24.A OH TYR 28.A OH no hydrogen 2.803 N/A THR 27.A N ASP 25.A OD1 no hydrogen 2.818 N/A THR 27.A OG1 ASP 25.A OD1 no hydrogen 2.571 N/A THR 27.A OG1 ASP 25.A OD2 no hydrogen 3.207 N/A TYR 28.A N ASP 25.A O no hydrogen 3.155 N/A TYR 28.A OH TYR 24.A OH no hydrogen 2.803 N/A SER 29.A N ASP 25.A OD2 no hydrogen 3.107 N/A SER 29.A OG ASP 25.A OD2 no hydrogen 2.700 N/A PHE 31.A N TYR 28.A O no hydrogen 3.360 N/A CYS 32.A SG SER 29.A O no hydrogen 3.826 N/A GLN 33.A N ASP 30.A O no hydrogen 2.898 N/A PHE 34.A N PHE 31.A O no hydrogen 3.220 N/A ARG 35.A N ASP 62.A OD1 no hydrogen 2.769 N/A ARG 35.A NE ASP 62.A OD1 no hydrogen 2.963 N/A ARG 35.A NE ASP 62.A OD2 no hydrogen 3.272 N/A ARG 35.A NH1 MET 242.A O no hydrogen 3.139 N/A ARG 35.A NH2 ASP 62.A OD2 no hydrogen 2.813 N/A ARG 35.A NH2 LEU 244.A O no hydrogen 3.079 N/A ARG 39.A NE ASP 129.A OD1 no hydrogen 2.597 N/A ARG 39.A NH1 ASP 122.A O no hydrogen 3.301 N/A ARG 39.A NH2 ASP 122.A O no hydrogen 3.214 N/A GLY 45.A N ASP 42.A O no hydrogen 3.038 N/A SER 46.A N ASP 42.A OD1 no hydrogen 2.803 N/A LEU 49.A N SER 46.A OG no hydrogen 3.132 N/A GLU 50.A N SER 46.A O no hydrogen 2.903 N/A LEU 51.A N VAL 47.A O no hydrogen 2.921 N/A SER 52.A N THR 48.A O no hydrogen 3.057 N/A SER 52.A OG THR 48.A O no hydrogen 3.342 N/A SER 52.A OG LEU 49.A O no hydrogen 2.754 N/A GLN 53.A N LEU 49.A O no hydrogen 3.053 N/A LEU 54.A N GLU 50.A O no hydrogen 2.636 N/A SER 55.A OG VAL 38.A O no hydrogen 2.870 N/A MET 56.A N LYS 132.A O no hydrogen 3.352 N/A LEU 57.A N LEU 54.A O no hydrogen 3.173 N/A HIS 59.A ND1 ARG 35.A O no hydrogen 2.755 N/A HIS 59.A NE2 TYR 125.A OH no hydrogen 2.758 N/A LEU 60.A N MET 56.A O no hydrogen 3.064 N/A ALA 61.A N LEU 57.A O no hydrogen 2.735 N/A ASP 62.A N PRO 58.A O no hydrogen 3.054 N/A LEU 63.A N HIS 59.A O no hydrogen 2.957 N/A VAL 64.A N LEU 60.A O no hydrogen 2.839 N/A SER 65.A N ALA 61.A O no hydrogen 2.840 N/A SER 65.A OG THR 245.A OG1 no hydrogen 2.931 N/A TYR 66.A N ASP 62.A O no hydrogen 2.873 N/A TYR 66.A OH ASP 30.A OD2 no hydrogen 2.718 N/A SER 67.A N LEU 63.A O no hydrogen 2.970 N/A SER 67.A OG LEU 63.A O no hydrogen 2.758 N/A ILE 68.A N VAL 64.A O no hydrogen 2.881 N/A GLN 69.A N SER 65.A O no hydrogen 3.180 N/A LYS 70.A N TYR 66.A O no hydrogen 3.148 N/A VAL 71.A N SER 67.A O no hydrogen 2.840 N/A ILE 72.A N ILE 68.A O no hydrogen 2.921 N/A GLY 73.A N GLN 69.A O no hydrogen 3.195 N/A PHE 74.A N LYS 70.A O no hydrogen 2.933 N/A ALA 75.A N VAL 71.A O no hydrogen 2.873 N/A LYS 76.A N ILE 72.A O no hydrogen 3.105 N/A MET 77.A N PHE 74.A O no hydrogen 2.968 N/A ILE 78.A N ALA 75.A O no hydrogen 3.031 N/A PHE 81.A N ILE 78.A O no hydrogen 2.908 N/A ASP 83.A N GLY 80.A O no hydrogen 2.992 N/A LEU 84.A N PHE 81.A O no hydrogen 3.174 N/A ASP 88.A N THR 85.A OG1 no hydrogen 3.175 N/A GLN 89.A N THR 85.A O no hydrogen 2.955 N/A ILE 90.A N SER 86.A O no hydrogen 2.979 N/A VAL 91.A N GLU 87.A O no hydrogen 3.146 N/A LEU 92.A N ASP 88.A O no hydrogen 2.992 N/A LEU 93.A N GLN 89.A O no hydrogen 3.027 N/A LYS 94.A N ILE 90.A O no hydrogen 2.919 N/A LYS 94.A NZ GLU 250.A OE1 no hydrogen 2.834 N/A SER 95.A N VAL 91.A O no hydrogen 3.036 N/A SER 95.A OG VAL 91.A O no hydrogen 2.817 N/A SER 95.A OG LEU 92.A O no hydrogen 3.167 N/A SER 96.A N LEU 92.A O no hydrogen 3.057 N/A SER 96.A OG LEU 92.A O no hydrogen 2.778 N/A ALA 97.A N LEU 93.A O no hydrogen 2.875 N/A VAL 100.A N SER 96.A O no hydrogen 2.945 N/A ILE 101.A N ALA 97.A O no hydrogen 3.107 N/A MET 102.A N ILE 98.A O no hydrogen 3.034 N/A LEU 103.A N GLU 99.A O no hydrogen 2.955 N/A ARG 104.A N VAL 100.A O no hydrogen 2.778 N/A ARG 104.A NH2 THR 23.A O no hydrogen 2.921 N/A SER 105.A N ILE 101.A O no hydrogen 2.924 N/A SER 105.A OG MET 102.A O no hydrogen 2.810 N/A ASN 106.A N LEU 103.A O no hydrogen 3.056 N/A ASN 106.A ND2 GLN 147.A O no hydrogen 3.105 N/A ASN 106.A ND2 GLN 147.A OE1 no hydrogen 2.742 N/A GLU 107.A N ARG 104.A O no hydrogen 3.257 N/A SER 108.A N SER 105.A O no hydrogen 3.055 N/A SER 108.A OG SER 105.A O no hydrogen 3.108 N/A PHE 109.A N SER 105.A O no hydrogen 3.243 N/A PHE 109.A N ASN 106.A O no hydrogen 3.215 N/A THR 110.A N SER 115.A O no hydrogen 2.763 N/A THR 110.A OG1 ASP 112.A OD2 no hydrogen 3.001 N/A ASP 112.A N THR 110.A OG1 no hydrogen 3.214 N/A SER 115.A N THR 110.A O no hydrogen 3.272 N/A SER 115.A OG ASP 113.A OD1 no hydrogen 2.670 N/A SER 115.A OG ASP 113.A OD2 no hydrogen 3.461 N/A SER 115.A OG THR 117.A OG1 no hydrogen 3.143 N/A TRP 116.A N TYR 125.A O no hydrogen 3.005 N/A TRP 116.A NE1 SER 105.A OG no hydrogen 3.074 N/A THR 117.A N SER 108.A O no hydrogen 2.913 N/A THR 117.A OG1 SER 115.A OG no hydrogen 3.143 N/A CYS 118.A N TYR 123.A O no hydrogen 2.926 N/A TYR 123.A N ASN 120.A O no hydrogen 2.881 N/A TYR 123.A N ASN 120.A OD1 no hydrogen 3.026 N/A LYS 124.A NZ ASP 113.A OD2 no hydrogen 2.912 N/A LYS 124.A NZ SER 115.A OG no hydrogen 3.237 N/A LYS 124.A NZ THR 117.A OG1 no hydrogen 2.865 N/A TYR 125.A N TRP 116.A O no hydrogen 2.818 N/A TYR 125.A OH HIS 59.A NE2 no hydrogen 2.758 N/A ARG 126.A N ASP 129.A OD2 no hydrogen 2.784 N/A ARG 126.A NH1 ASP 129.A OD2 no hydrogen 3.261 N/A ASP 129.A N ARG 126.A O no hydrogen 2.934 N/A VAL 130.A N ARG 126.A O no hydrogen 3.426 N/A VAL 130.A N VAL 127.A O no hydrogen 3.048 N/A THR 131.A N VAL 127.A O no hydrogen 3.256 N/A THR 131.A OG1 SER 128.A O no hydrogen 2.806 N/A LYS 132.A N SER 128.A O no hydrogen 3.383 N/A LYS 132.A NZ SER 128.A O no hydrogen 3.389 N/A ALA 133.A N VAL 130.A O no hydrogen 3.028 N/A GLY 134.A N THR 131.A O no hydrogen 3.156 N/A HIS 135.A N VAL 130.A O no hydrogen 3.481 N/A HIS 135.A ND1 GLN 230.A OE1 no hydrogen 2.901 N/A SER 136.A N GLN 230.A OE1 no hydrogen 2.988 N/A LEU 139.A N SER 136.A O no hydrogen 3.070 N/A ILE 140.A N SER 136.A O no hydrogen 3.174 N/A GLU 141.A N LEU 137.A O no hydrogen 2.966 N/A LEU 143.A N LEU 139.A O no hydrogen 3.024 N/A ILE 144.A N ILE 140.A O no hydrogen 2.913 N/A LYS 145.A N GLU 141.A O no hydrogen 3.071 N/A PHE 146.A N PRO 142.A O no hydrogen 2.945 N/A GLN 147.A N LEU 143.A O no hydrogen 2.964 N/A GLN 147.A NE2 MET 102.A O no hydrogen 3.012 N/A VAL 148.A N ILE 144.A O no hydrogen 2.990 N/A GLY 149.A N LYS 145.A O no hydrogen 2.989 N/A LEU 150.A N PHE 146.A O no hydrogen 2.943 N/A LYS 151.A N GLN 147.A O no hydrogen 2.905 N/A LYS 151.A NZ ASN 106.A O no hydrogen 3.078 N/A LYS 152.A N VAL 148.A O no hydrogen 2.941 N/A LEU 153.A N LEU 150.A O no hydrogen 3.099 N/A ASN 154.A N LYS 151.A O no hydrogen 3.103 N/A HIS 156.A N GLU 159.A OE2 no hydrogen 2.836 N/A HIS 156.A ND1 TYR 196.A OH no hydrogen 2.830 N/A GLU 158.A N GLU 158.A OE2 no hydrogen 2.617 N/A HIS 160.A N HIS 156.A O no hydrogen 2.996 N/A VAL 161.A N GLU 157.A O no hydrogen 2.986 N/A LEU 162.A N GLU 158.A O no hydrogen 3.211 N/A LEU 163.A N GLU 159.A O no hydrogen 2.982 N/A MET 164.A N HIS 160.A O no hydrogen 3.218 N/A ALA 165.A N VAL 161.A O no hydrogen 3.106 N/A ILE 166.A N LEU 162.A O no hydrogen 2.928 N/A CYS 167.A N LEU 163.A O no hydrogen 2.957 N/A CYS 167.A SG GLU 99.A OE1 no hydrogen 3.350 N/A ILE 168.A N MET 164.A O no hydrogen 3.135 N/A VAL 169.A N ALA 165.A O no hydrogen 3.055 N/A SER 170.A OG ILE 166.A O no hydrogen 3.226 N/A SER 170.A OG CYS 167.A O no hydrogen 2.823 N/A ARG 173.A NH1 GLU 99.A OE2 no hydrogen 2.996 N/A ARG 173.A NH2 GLU 99.A OE1 no hydrogen 2.933 N/A ARG 173.A NH2 CYS 167.A O no hydrogen 3.104 N/A GLN 177.A N ASP 88.A OD2 no hydrogen 2.787 N/A ASP 178.A N ASP 88.A OD1 no hydrogen 3.069 N/A LEU 181.A N ASP 178.A OD2 no hydrogen 3.118 N/A ILE 182.A N ASP 178.A O no hydrogen 3.221 N/A GLU 183.A N ALA 179.A O no hydrogen 2.841 N/A ALA 184.A N ALA 180.A O no hydrogen 3.004 N/A ILE 185.A N LEU 181.A O no hydrogen 2.985 N/A GLN 186.A N ILE 182.A O no hydrogen 2.886 N/A GLN 186.A NE2 ILE 166.A O no hydrogen 3.246 N/A ASP 187.A N GLU 183.A O no hydrogen 2.783 N/A ARG 188.A N ALA 184.A O no hydrogen 3.172 N/A ARG 188.A NH2 PRO 79.A O no hydrogen 3.101 N/A LEU 189.A N ILE 185.A O no hydrogen 3.340 N/A SER 190.A N GLN 186.A O no hydrogen 2.758 N/A SER 190.A OG GLN 186.A O no hydrogen 3.123 N/A ASN 191.A N ASP 187.A O no hydrogen 2.857 N/A THR 192.A N ARG 188.A O no hydrogen 3.206 N/A THR 192.A OG1 ARG 188.A O no hydrogen 2.855 N/A LEU 193.A N LEU 189.A O no hydrogen 2.976 N/A GLN 194.A N SER 190.A O no hydrogen 2.872 N/A THR 195.A N ASN 191.A O no hydrogen 2.961 N/A THR 195.A OG1 ASN 191.A O no hydrogen 2.720 N/A TYR 196.A N THR 192.A O no hydrogen 2.850 N/A TYR 196.A OH HIS 156.A ND1 no hydrogen 2.830 N/A ILE 197.A N LEU 193.A O no hydrogen 2.970 N/A ARG 198.A N GLN 194.A O no hydrogen 3.232 N/A CYS 199.A N THR 195.A O no hydrogen 3.035 N/A ARG 200.A N TYR 196.A O no hydrogen 2.587 N/A HIS 201.A N ILE 197.A O no hydrogen 3.130 N/A HIS 201.A ND1 GLU 159.A OE1 no hydrogen 2.525 N/A LYS 212.A N LEU 208.A O no hydrogen 2.937 N/A MET 213.A N LEU 209.A O no hydrogen 2.918 N/A ILE 214.A N TYR 210.A O no hydrogen 2.960 N/A GLN 215.A N ALA 211.A O no hydrogen 3.050 N/A LYS 216.A N LYS 212.A O no hydrogen 3.287 N/A LYS 216.A N MET 213.A O no hydrogen 3.078 N/A LEU 217.A N MET 213.A O no hydrogen 3.405 N/A LEU 217.A N ILE 214.A O no hydrogen 3.149 N/A ASP 219.A N GLN 215.A O no hydrogen 2.994 N/A LEU 220.A N LYS 216.A O no hydrogen 2.946 N/A ARG 221.A N LEU 217.A O no hydrogen 3.366 N/A ARG 221.A NH1 ASP 172.A OD1 no hydrogen 3.351 N/A ARG 221.A NH2 ASP 172.A OD1 no hydrogen 3.257 N/A ARG 221.A NH2 ASP 172.A OD2 no hydrogen 2.713 N/A LEU 223.A N ASP 219.A O no hydrogen 3.135 N/A ASN 224.A N LEU 220.A O no hydrogen 2.766 N/A ASN 224.A ND2 SER 95.A O no hydrogen 3.050 N/A ASN 224.A ND2 GLU 99.A OE2 no hydrogen 2.716 N/A GLU 225.A N ARG 221.A O no hydrogen 3.027 N/A GLU 226.A N SER 222.A O no hydrogen 3.053 N/A HIS 227.A N LEU 223.A O no hydrogen 2.921 N/A SER 228.A N ASN 224.A O no hydrogen 2.972 N/A LYS 229.A N GLU 225.A O no hydrogen 3.095 N/A GLN 230.A N GLU 226.A O no hydrogen 3.051 N/A GLN 230.A NE2 GLU 226.A OE1 no hydrogen 2.867 N/A TYR 231.A N HIS 227.A O no hydrogen 2.782 N/A ARG 232.A N SER 228.A O no hydrogen 3.107 N/A CYS 233.A N LYS 229.A O no hydrogen 3.351 N/A LEU 234.A N GLN 230.A O no hydrogen 2.977 N/A SER 235.A N TYR 231.A O no hydrogen 2.865 N/A SER 235.A OG ARG 232.A O no hydrogen 2.523 N/A PHE 236.A N CYS 233.A O no hydrogen 3.102 N/A GLN 237.A N LEU 234.A O no hydrogen 3.093 N/A CYS 240.A N GLN 237.A O no hydrogen 3.142 N/A CYS 240.A SG LEU 234.A O no hydrogen 3.473 N/A LYS 243.A N CYS 240.A O no hydrogen 2.808 N/A LYS 243.A NZ GLU 239.A O no hydrogen 3.510 N/A LEU 244.A N SER 241.A O no hydrogen 3.119 N/A THR 245.A OG1 SER 65.A OG no hydrogen 2.931 N/A VAL 248.A N THR 245.A OG1 no hydrogen 3.077 N/A LEU 249.A N THR 245.A O no hydrogen 2.878 N/A GLU 250.A N PRO 246.A O no hydrogen 3.048 N/A VAL 251.A N LEU 247.A O no hydrogen 2.991 N/A PHE 252.A N VAL 248.A O no hydrogen 3.033 N/A