Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3r1i_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ASP 4.A OD2 no hydrogen 3.234 N/A LEU 3.A N SER 1.A OG no hydrogen 3.099 N/A ASP 4.A N SER 1.A O no hydrogen 3.030 N/A LEU 5.A N VAL 2.A O no hydrogen 3.139 N/A PHE 6.A N LEU 3.A O no hydrogen 3.141 N/A ASP 7.A N ASP 4.A O no hydrogen 3.308 N/A LEU 8.A N ALA 33.A O no hydrogen 2.770 N/A SER 9.A N ASP 7.A OD1 no hydrogen 3.028 N/A SER 9.A OG ASP 7.A OD1 no hydrogen 2.662 N/A SER 9.A OG ASP 7.A OD2 no hydrogen 3.536 N/A LYS 11.A N LEU 8.A O no hydrogen 2.877 N/A ARG 12.A N ASP 89.A OD2 no hydrogen 2.709 N/A ARG 12.A NE ASP 89.A OD2 no hydrogen 2.878 N/A ARG 12.A NH2 ASP 89.A OD1 no hydrogen 2.854 N/A ARG 12.A NH2 ASP 89.A OD2 no hydrogen 3.346 N/A ALA 13.A N GLN 36.A O no hydrogen 2.830 N/A LEU 14.A N ILE 90.A O no hydrogen 2.817 N/A ILE 15.A N ALA 38.A O no hydrogen 3.011 N/A THR 16.A N VAL 92.A O no hydrogen 3.094 N/A THR 16.A OG1 VAL 92.A O no hydrogen 3.452 N/A ALA 18.A N ALA 40.A O no hydrogen 3.008 N/A LYS 24.A N THR 20.A O no hydrogen 3.129 N/A LYS 24.A NZ GLU 53.A OE1 no hydrogen 2.856 N/A LYS 25.A N GLY 21.A O no hydrogen 3.163 N/A VAL 26.A N ILE 22.A O no hydrogen 2.868 N/A ALA 27.A N GLY 23.A O no hydrogen 2.917 N/A LEU 28.A N LYS 24.A O no hydrogen 3.127 N/A ALA 29.A N LYS 25.A O no hydrogen 2.916 N/A TYR 30.A N VAL 26.A O no hydrogen 2.925 N/A TYR 30.A OH TYR 229.A O no hydrogen 2.750 N/A ALA 31.A N ALA 27.A O no hydrogen 3.137 N/A GLU 32.A N LEU 28.A O no hydrogen 2.897 N/A ALA 33.A N ALA 29.A O no hydrogen 2.932 N/A GLY 34.A N ALA 31.A O no hydrogen 2.968 N/A ALA 35.A N TYR 30.A O no hydrogen 2.962 N/A GLN 36.A N LYS 11.A O no hydrogen 2.936 N/A ALA 38.A N ALA 13.A O no hydrogen 2.804 N/A VAL 39.A N LEU 62.A O no hydrogen 2.779 N/A ALA 40.A N ILE 15.A O no hydrogen 2.910 N/A ALA 41.A N ILE 64.A O no hydrogen 3.115 N/A ALA 46.A N HIS 43.A O no hydrogen 3.079 N/A LEU 47.A N SER 44.A O no hydrogen 2.983 N/A GLN 48.A N ASP 45.A O no hydrogen 3.337 N/A ALA 51.A N LEU 47.A O no hydrogen 2.989 N/A ASP 52.A N GLN 48.A O no hydrogen 2.981 N/A GLU 53.A N VAL 49.A O no hydrogen 2.949 N/A ILE 54.A N VAL 50.A O no hydrogen 2.916 N/A ALA 55.A N ALA 51.A O no hydrogen 3.014 N/A GLY 56.A N ASP 52.A O no hydrogen 2.846 N/A VAL 57.A N ILE 54.A O no hydrogen 3.181 N/A GLY 58.A N ALA 55.A O no hydrogen 2.795 N/A GLY 59.A N ILE 54.A O no hydrogen 3.164 N/A LEU 62.A N VAL 37.A O no hydrogen 2.831 N/A ILE 64.A N VAL 39.A O no hydrogen 2.702 N/A CYS 66.A N ALA 41.A O no hydrogen 2.834 N/A ASP 67.A N GLN 73.A OE1 no hydrogen 2.863 N/A THR 69.A N ASP 67.A OD1 no hydrogen 3.196 N/A THR 69.A OG1 ASP 67.A OD1 no hydrogen 2.755 N/A THR 69.A OG1 ASP 67.A OD2 no hydrogen 3.304 N/A GLN 70.A N ASP 67.A O no hydrogen 2.925 N/A GLN 70.A NE2 THR 69.A OG1 no hydrogen 2.860 N/A VAL 74.A N GLN 70.A O no hydrogen 2.914 N/A ARG 75.A N PRO 71.A O no hydrogen 2.817 N/A ARG 75.A NE ASP 79.A OD1 no hydrogen 3.021 N/A ARG 75.A NE ASP 79.A OD2 no hydrogen 3.161 N/A ARG 75.A NH2 ASP 79.A OD1 no hydrogen 2.926 N/A GLY 76.A N ASP 72.A O no hydrogen 2.971 N/A MET 77.A N GLN 73.A O no hydrogen 2.824 N/A LEU 78.A N VAL 74.A O no hydrogen 3.055 N/A ASP 79.A N ARG 75.A O no hydrogen 2.989 N/A GLN 80.A N GLY 76.A O no hydrogen 2.867 N/A MET 81.A N MET 77.A O no hydrogen 2.932 N/A THR 82.A N LEU 78.A O no hydrogen 2.785 N/A THR 82.A OG1 LEU 78.A O no hydrogen 3.221 N/A THR 82.A OG1 ASP 79.A O no hydrogen 3.456 N/A GLY 83.A N ASP 79.A O no hydrogen 2.838 N/A GLU 84.A N GLN 80.A O no hydrogen 3.029 N/A LEU 85.A N MET 81.A O no hydrogen 2.756 N/A GLY 86.A N THR 82.A O no hydrogen 2.798 N/A ILE 88.A N GLN 136.A OE1 no hydrogen 2.907 N/A ASP 89.A N ARG 12.A O no hydrogen 2.814 N/A ILE 90.A N ARG 12.A O no hydrogen 3.120 N/A ALA 91.A N THR 141.A O no hydrogen 3.000 N/A VAL 92.A N LEU 14.A O no hydrogen 2.691 N/A CYS 93.A N ILE 143.A O no hydrogen 2.698 N/A CYS 93.A SG ILE 143.A O no hydrogen 3.940 N/A ASN 94.A N THR 16.A OG1 no hydrogen 2.874 N/A ASN 94.A ND2 THR 16.A O no hydrogen 3.045 N/A ALA 95.A N THR 16.A OG1 no hydrogen 3.036 N/A ILE 97.A N ASN 118.A OD1 no hydrogen 2.800 N/A SER 99.A OG GLU 110.A OE2 no hydrogen 2.561 N/A SER 99.A OG HIS 161.A NE2 no hydrogen 2.843 N/A GLN 101.A N GLN 158.A O no hydrogen 2.903 N/A ASP 105.A N ALA 102.A O no hydrogen 3.183 N/A MET 106.A N MET 103.A O no hydrogen 3.107 N/A GLU 110.A N PRO 107.A O no hydrogen 3.122 N/A PHE 111.A N PRO 107.A O no hydrogen 3.188 N/A GLN 112.A N LEU 108.A O no hydrogen 2.837 N/A GLN 112.A NE2 GLN 112.A O no hydrogen 3.336 N/A GLN 112.A NE2 ASP 116.A OD1.A no hydrogen 2.631 N/A ARG 113.A N GLU 109.A O no hydrogen 2.921 N/A ARG 113.A NE GLU 110.A OE1 no hydrogen 2.956 N/A ARG 113.A NH2 GLU 110.A OE1 no hydrogen 3.417 N/A ARG 113.A NH2 GLU 110.A OE2 no hydrogen 2.611 N/A ILE 114.A N GLU 110.A O no hydrogen 3.340 N/A GLN 115.A N PHE 111.A O no hydrogen 3.232 N/A GLN 115.A NE2 PHE 111.A O no hydrogen 3.128 N/A GLN 115.A NE2 HIS 161.A O no hydrogen 2.965 N/A ASP 116.A N GLN 112.A O no hydrogen 2.818 N/A THR 117.A N ARG 113.A O no hydrogen 3.347 N/A ASN 118.A N ILE 114.A O no hydrogen 2.945 N/A ASN 118.A ND2 ILE 97.A O no hydrogen 2.974 N/A ASN 118.A ND2 SER 165.A OG no hydrogen 3.062 N/A VAL 119.A N GLN 115.A O no hydrogen 2.786 N/A THR 120.A N GLN 115.A O no hydrogen 3.070 N/A GLY 121.A N ASP 116.A O no hydrogen 2.864 N/A PHE 123.A N VAL 119.A O no hydrogen 2.936 N/A LEU 124.A N THR 120.A O no hydrogen 2.882 N/A THR 125.A N GLY 121.A O no hydrogen 3.051 N/A THR 125.A OG1 GLY 121.A O no hydrogen 2.762 N/A ALA 126.A N VAL 122.A O no hydrogen 2.828 N/A GLN 127.A N PHE 123.A O no hydrogen 2.861 N/A ALA 128.A N LEU 124.A O no hydrogen 3.037 N/A ALA 129.A N THR 125.A O no hydrogen 2.878 N/A ALA 130.A N ALA 126.A O no hydrogen 2.757 N/A ARG 131.A N GLN 127.A O no hydrogen 2.820 N/A ALA 132.A N ALA 128.A O no hydrogen 3.150 N/A MET 133.A N ALA 129.A O no hydrogen 2.902 N/A VAL 134.A N ALA 130.A O no hydrogen 2.824 N/A ASP 135.A N ARG 131.A O no hydrogen 3.130 N/A GLN 136.A N ALA 132.A O no hydrogen 3.098 N/A GLN 136.A NE2 ILE 88.A O no hydrogen 2.824 N/A GLY 137.A N MET 133.A O no hydrogen 3.143 N/A GLY 140.A N GLN 184.A O no hydrogen 3.192 N/A THR 141.A N ASP 89.A O no hydrogen 2.999 N/A THR 141.A OG1 LEU 232.A O no hydrogen 2.761 N/A ILE 142.A N ARG 186.A O no hydrogen 2.769 N/A ILE 143.A N ALA 91.A O no hydrogen 2.831 N/A THR 144.A N ASN 188.A O no hydrogen 2.999 N/A THR 144.A OG1 THR 173.A OG1 no hydrogen 2.745 N/A THR 144.A OG1 ASN 188.A O no hydrogen 3.451 N/A THR 145.A N CYS 93.A O no hydrogen 3.092 N/A THR 145.A OG1 ASN 94.A OD1 no hydrogen 2.689 N/A THR 145.A OG1 TYR 229.A OH no hydrogen 2.737 N/A ALA 146.A N VAL 190.A O no hydrogen 2.768 N/A MET 148.A N PRO 192.A O no hydrogen 2.894 N/A SER 149.A N SER 147.A OG no hydrogen 2.908 N/A SER 149.A OG SER 147.A OG no hydrogen 3.310 N/A SER 149.A OG ASN 154.A OD1 no hydrogen 2.562 N/A GLY 150.A N SER 147.A O no hydrogen 2.928 N/A HIS 151.A N MET 148.A O no hydrogen 2.824 N/A HIS 151.A NE2 ASP 244.A OD2 no hydrogen 2.645 N/A ILE 152.A N MET 148.A O no hydrogen 2.927 N/A ASN 154.A ND2 TYR 194.A OH no hydrogen 2.967 N/A GLN 157.A N GLN 157.A OE1 no hydrogen 2.736 N/A GLN 157.A NE2 TYR 194.A OH no hydrogen 2.960 N/A HIS 161.A NE2 SER 99.A OG no hydrogen 2.843 N/A TYR 162.A N HIS 161.A ND1 no hydrogen 2.949 N/A CYS 163.A N VAL 159.A O no hydrogen 2.953 N/A CYS 163.A SG ILE 152.A O no hydrogen 3.800 N/A CYS 163.A SG ASN 154.A OD1 no hydrogen 3.506 N/A CYS 163.A SG VAL 159.A O no hydrogen 3.533 N/A THR 164.A N SER 160.A O no hydrogen 2.950 N/A THR 164.A OG1 SER 160.A O no hydrogen 2.732 N/A SER 165.A N HIS 161.A O no hydrogen 3.004 N/A SER 165.A OG TYR 162.A O no hydrogen 2.828 N/A LYS 166.A N TYR 162.A O no hydrogen 3.023 N/A LYS 166.A NZ THR 145.A O no hydrogen 2.859 N/A LYS 166.A NZ ALA 146.A O no hydrogen 3.210 N/A ALA 167.A N CYS 163.A O no hydrogen 3.051 N/A ALA 168.A N THR 164.A O no hydrogen 3.054 N/A VAL 169.A N SER 165.A O no hydrogen 2.953 N/A VAL 170.A N LYS 166.A O no hydrogen 2.964 N/A HIS 171.A N ALA 167.A O no hydrogen 3.104 N/A LEU 172.A N ALA 168.A O no hydrogen 2.761 N/A THR 173.A N VAL 169.A O no hydrogen 2.957 N/A THR 173.A OG1 THR 144.A OG1 no hydrogen 2.745 N/A THR 173.A OG1 VAL 169.A O no hydrogen 2.750 N/A ALA 175.A N HIS 171.A O no hydrogen 3.009 N/A MET 176.A N LEU 172.A O no hydrogen 2.920 N/A ALA 177.A N THR 173.A O no hydrogen 2.912 N/A VAL 178.A N LYS 174.A O no hydrogen 3.041 N/A GLU 179.A N ALA 175.A O no hydrogen 3.261 N/A LEU 180.A N MET 176.A O no hydrogen 2.835 N/A ALA 181.A N ALA 177.A O no hydrogen 2.992 N/A HIS 183.A N LEU 180.A O no hydrogen 2.774 N/A GLN 184.A N ALA 181.A O no hydrogen 2.850 N/A ILE 185.A N LEU 180.A O no hydrogen 3.367 N/A ARG 186.A N GLY 140.A O no hydrogen 2.986 N/A ARG 186.A NH1 LEU 232.A O no hydrogen 3.374 N/A ARG 186.A NH2 MET 240.A O no hydrogen 3.206 N/A VAL 187.A N THR 241.A OG1 no hydrogen 3.018 N/A ASN 188.A N ILE 142.A O no hydrogen 3.017 N/A ASN 188.A ND2 MET 240.A O no hydrogen 3.026 N/A SER 189.A N SER 243.A O no hydrogen 2.873 N/A SER 189.A OG ASP 244.A OD1 no hydrogen 2.697 N/A VAL 190.A N THR 144.A O no hydrogen 2.992 N/A SER 191.A N ILE 245.A O no hydrogen 2.726 N/A SER 191.A OG SER 147.A O no hydrogen 3.146 N/A SER 191.A OG ASP 244.A OD1 no hydrogen 2.729 N/A SER 191.A OG ASP 244.A OD2 no hydrogen 3.243 N/A GLY 193.A N ILE 247.A O no hydrogen 2.820 N/A ARG 196.A N GLY 220.A O no hydrogen 2.804 N/A GLU 198.A N GLU 198.A OE1 no hydrogen 2.779 N/A GLU 201.A N THR 197.A O no hydrogen 3.240 N/A LEU 203.A N VAL 200.A O no hydrogen 2.682 N/A ALA 204.A N GLU 201.A O no hydrogen 3.095 N/A TYR 206.A N LEU 203.A O no hydrogen 2.869 N/A HIS 207.A N ALA 204.A O no hydrogen 3.103 N/A LEU 209.A N TYR 206.A O no hydrogen 2.777 N/A TRP 210.A N TYR 206.A O no hydrogen 2.857 N/A TRP 210.A NE1 GLN 157.A OE1 no hydrogen 3.040 N/A GLU 211.A N HIS 207.A O no hydrogen 3.050 N/A LYS 213.A N TRP 210.A O no hydrogen 2.921 N/A ILE 214.A N GLU 211.A O no hydrogen 3.085 N/A LEU 216.A N GLY 249.A O no hydrogen 2.990 N/A GLY 217.A N ILE 214.A O no hydrogen 2.715 N/A ARG 218.A NH1 MET 219.A O no hydrogen 3.290 N/A ARG 218.A NH1 GLU 224.A OE2 no hydrogen 2.801 N/A ARG 218.A NH2 GLU 224.A OE1 no hydrogen 2.896 N/A GLY 220.A N TYR 194.A O no hydrogen 2.812 N/A ARG 221.A N GLU 224.A OE2 no hydrogen 2.873 N/A ARG 221.A NE GLU 223.A OE1 no hydrogen 3.238 N/A GLU 223.A N GLU 223.A OE2 no hydrogen 2.879 N/A GLU 224.A N ARG 221.A O no hydrogen 2.832 N/A LEU 225.A N PRO 222.A O no hydrogen 3.090 N/A THR 226.A OG1 GLU 223.A O no hydrogen 2.933 N/A TYR 229.A N LEU 225.A O no hydrogen 3.114 N/A TYR 229.A OH THR 145.A OG1 no hydrogen 2.737 N/A LEU 230.A N THR 226.A O no hydrogen 2.813 N/A TYR 231.A N GLY 227.A O no hydrogen 2.877 N/A LEU 232.A N LEU 228.A O no hydrogen 3.011 N/A ALA 233.A N TYR 229.A O no hydrogen 3.033 N/A ALA 233.A N LEU 230.A O no hydrogen 3.127 N/A SER 234.A N TYR 231.A O no hydrogen 3.344 N/A SER 234.A OG LEU 5.A O no hydrogen 3.203 N/A SER 234.A OG LEU 230.A O no hydrogen 3.119 N/A SER 234.A OG TYR 231.A O no hydrogen 3.179 N/A ALA 236.A N LEU 5.A O no hydrogen 3.116 N/A ALA 236.A N SER 234.A OG no hydrogen 3.226 N/A SER 237.A N SER 234.A O no hydrogen 3.238 N/A SER 237.A OG TYR 231.A O no hydrogen 2.775 N/A SER 237.A OG SER 234.A O no hydrogen 3.076 N/A SER 238.A N ALA 235.A O no hydrogen 3.062 N/A SER 238.A OG ALA 235.A O no hydrogen 3.526 N/A MET 240.A N SER 237.A O no hydrogen 2.819 N/A GLY 242.A N VAL 187.A O no hydrogen 2.754 N/A SER 243.A N ASN 188.A OD1 no hydrogen 2.965 N/A ILE 245.A N SER 189.A O no hydrogen 2.825 N/A ILE 247.A N SER 191.A O no hydrogen 3.004 N/A GLY 250.A N ASP 248.A OD1 no hydrogen 2.890 N/A TYR 251.A N ASP 248.A O no hydrogen 3.178 N/A THR 252.A N ASP 248.A OD2 no hydrogen 2.825 N/A THR 252.A OG1 ASP 248.A OD2 no hydrogen 2.811 N/A CYS 253.A N GLY 250.A O no hydrogen 2.945 N/A