Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3q1f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A N GLN 5.A OE1 no hydrogen 2.860 N/A GLN 5.A N SER 2.A OG no hydrogen 3.017 N/A GLN 5.A NE2 LEU 33.A O no hydrogen 2.921 N/A GLN 6.A N SER 2.A O no hydrogen 2.846 N/A GLN 6.A NE2 THR 1.A O no hydrogen 3.369 N/A LYS 7.A N ALA 3.A O no hydrogen 2.943 N/A LEU 8.A N VAL 4.A O no hydrogen 2.945 N/A ALA 9.A N GLN 5.A O no hydrogen 2.958 N/A ALA 10.A N GLN 6.A O no hydrogen 2.999 N/A LEU 11.A N LYS 7.A O no hydrogen 2.932 N/A GLU 12.A N LEU 8.A O no hydrogen 2.899 N/A LYS 13.A N ALA 9.A O no hydrogen 2.837 N/A SER 14.A N ALA 10.A O no hydrogen 3.202 N/A SER 14.A OG LEU 11.A O no hydrogen 3.199 N/A SER 15.A N.A GLU 12.A O no hydrogen 2.973 N/A SER 15.A N.B LEU 11.A O no hydrogen 2.965 N/A SER 15.A N.B GLU 12.A O no hydrogen 3.055 N/A SER 15.A OG.A GLU 12.A O no hydrogen 2.735 N/A SER 15.A OG.B LEU 11.A O no hydrogen 3.362 N/A SER 15.A OG.B GLU 12.A O no hydrogen 2.603 N/A GLY 16.A N.A GLU 12.A O no hydrogen 3.148 N/A GLY 17.A N.A SER 15.A OG.A no hydrogen 2.865 N/A GLY 17.A N.B SER 15.A OG.A no hydrogen 3.038 N/A ARG 18.A N THR 238.A O no hydrogen 2.829 N/A ARG 18.A NH1 GLU 38.A OE1 no hydrogen 3.023 N/A ARG 18.A NH1 ARG 39.A O no hydrogen 3.006 N/A ARG 18.A NH2 ARG 39.A O no hydrogen 2.929 N/A LEU 19.A N GLU 12.A OE2 no hydrogen 2.810 N/A GLY 20.A N TYR 236.A O no hydrogen 2.803 N/A VAL 21.A N TYR 34.A O no hydrogen 2.825 N/A ALA 22.A N VAL 234.A O no hydrogen 3.038 N/A LEU 23.A N VAL 32.A O no hydrogen 2.855 N/A ILE 24.A N VAL 232.A O no hydrogen 2.884 N/A ASP 25.A N THR 30.A O no hydrogen 2.957 N/A THR 26.A N PRO 230.A O no hydrogen 3.014 N/A THR 26.A OG1 PRO 230.A O no hydrogen 2.578 N/A ALA 27.A N ASP 25.A OD1 no hydrogen 2.835 N/A ASP 28.A N ASP 25.A O no hydrogen 3.303 N/A ASN 29.A N ASP 25.A O no hydrogen 2.685 N/A THR 30.A N ASP 28.A OD1 no hydrogen 2.971 N/A THR 30.A OG1 ASP 28.A OD1 no hydrogen 2.538 N/A THR 30.A OG1 ASP 28.A OD2 no hydrogen 3.337 N/A VAL 32.A N LEU 23.A O no hydrogen 3.052 N/A TYR 34.A N VAL 21.A O no hydrogen 2.880 N/A TYR 34.A OH GLU 12.A OE1 no hydrogen 2.644 N/A ARG 35.A NE GLU 12.A OE2 no hydrogen 2.778 N/A ARG 35.A NH1 GLU 38.A OE2 no hydrogen 2.826 N/A ARG 35.A NH2 GLU 12.A OE1 no hydrogen 2.908 N/A GLU 38.A N ARG 35.A O no hydrogen 3.141 N/A ARG 39.A NH1 THR 133.A O no hydrogen 2.972 N/A ARG 39.A NH1 THR 154.A OG1 no hydrogen 2.963 N/A ARG 39.A NH2 THR 133.A O no hydrogen 3.009 N/A PHE 40.A N THR 155.A O no hydrogen 2.912 N/A MET 42.A N ASP 153.A O no hydrogen 3.002 N/A THR 45.A N MET 42.A O no hydrogen 3.122 N/A THR 45.A OG1 MET 42.A O no hydrogen 2.772 N/A THR 45.A OG1 TYR 236.A OH no hydrogen 2.864 N/A SER 46.A N CYS 43.A O no hydrogen 3.096 N/A SER 46.A OG CYS 43.A O no hydrogen 2.768 N/A LYS 47.A N GLY 44.A O no hydrogen 2.961 N/A LYS 47.A NZ SER 104.A O no hydrogen 2.889 N/A LYS 47.A NZ ASN 106.A OD1 no hydrogen 2.683 N/A VAL 48.A N THR 45.A O no hydrogen 3.331 N/A ALA 50.A N SER 46.A O no hydrogen 3.291 N/A ALA 51.A N LYS 47.A O no hydrogen 2.953 N/A ALA 52.A N VAL 48.A O no hydrogen 2.910 N/A ALA 53.A N MET 49.A O no hydrogen 2.929 N/A VAL 54.A N ALA 50.A O no hydrogen 3.118 N/A LEU 55.A N ALA 51.A O no hydrogen 2.905 N/A LYS 56.A N ALA 52.A O no hydrogen 2.855 N/A LYS 56.A NZ GLU 59.A OE1 no hydrogen 2.968 N/A LYS 56.A NZ GLU 59.A OE2 no hydrogen 3.178 N/A LYS 56.A NZ ALA 172.A O no hydrogen 2.978 N/A GLN 57.A N ALA 53.A O no hydrogen 3.016 N/A SER 58.A N VAL 54.A O no hydrogen 2.893 N/A SER 58.A OG LEU 55.A O no hydrogen 2.657 N/A GLU 59.A N LYS 56.A O no hydrogen 3.018 N/A THR 60.A N GLN 57.A O no hydrogen 3.142 N/A THR 60.A OG1 GLN 57.A O no hydrogen 3.379 N/A GLN 61.A N GLN 57.A O no hydrogen 2.918 N/A LYS 62.A NZ GLU 59.A O no hydrogen 2.987 N/A LEU 64.A N GLN 61.A O no hydrogen 3.101 N/A ASN 66.A N GLN 63.A O no hydrogen 3.007 N/A GLN 67.A N LEU 64.A O no hydrogen 3.002 N/A VAL 69.A N MET 91.A O no hydrogen 2.743 N/A ILE 71.A N GLY 89.A O no hydrogen 3.009 N/A LYS 72.A N ASP 75.A OD2 no hydrogen 2.811 N/A ASP 75.A N LYS 72.A O no hydrogen 2.810 N/A LEU 76.A N PRO 73.A O no hydrogen 3.275 N/A VAL 77.A N THR 107.A OG1 no hydrogen 3.353 N/A ILE 82.A N ASP 105.A OD2 no hydrogen 2.891 N/A ALA 83.A N ASP 105.A OD2 no hydrogen 2.882 N/A GLU 84.A N ASN 80.A O no hydrogen 3.046 N/A LYS 85.A N ILE 82.A O no hydrogen 3.077 N/A HIS 86.A N ALA 83.A O no hydrogen 2.898 N/A ASN 88.A N ILE 71.A O no hydrogen 2.645 N/A GLY 89.A N HIS 86.A O no hydrogen 2.823 N/A MET 91.A N VAL 69.A O no hydrogen 2.988 N/A THR 92.A N GLU 95.A OE2 no hydrogen 2.866 N/A THR 92.A OG1 LEU 65.A O no hydrogen 3.181 N/A LEU 93.A N GLN 67.A O no hydrogen 3.320 N/A ALA 94.A N LEU 65.A O no hydrogen 3.019 N/A GLU 95.A N THR 92.A OG1 no hydrogen 3.082 N/A LEU 96.A N THR 92.A O no hydrogen 2.814 N/A SER 97.A N LEU 93.A O no hydrogen 2.880 N/A SER 97.A OG LEU 93.A O no hydrogen 2.861 N/A ALA 98.A N ALA 94.A O no hydrogen 2.887 N/A ALA 99.A N GLU 95.A O no hydrogen 2.932 N/A ALA 100.A N LEU 96.A O no hydrogen 2.888 N/A LEU 101.A N SER 97.A O no hydrogen 2.943 N/A GLN 102.A N ALA 98.A O no hydrogen 2.787 N/A GLN 102.A NE2 TRP 184.A O no hydrogen 2.917 N/A TYR 103.A N ALA 99.A O no hydrogen 3.056 N/A ASP 105.A N ALA 99.A O no hydrogen 3.119 N/A ASN 106.A N TYR 79.A O no hydrogen 2.870 N/A ASN 106.A ND2 ASN 78.A OD1 no hydrogen 2.827 N/A THR 107.A OG1 ASP 75.A O no hydrogen 3.146 N/A ALA 108.A N ASP 105.A OD1 no hydrogen 2.849 N/A MET 109.A N ASP 105.A O no hydrogen 3.185 N/A ASN 110.A N ASN 106.A O no hydrogen 3.046 N/A ASN 110.A ND2 GLU 140.A O no hydrogen 2.927 N/A LYS 111.A N THR 107.A O no hydrogen 3.039 N/A LYS 111.A NZ GLU 70.A O no hydrogen 3.205 N/A LYS 111.A NZ ASP 75.A OD2 no hydrogen 2.911 N/A LEU 112.A N ALA 108.A O no hydrogen 3.080 N/A ILE 113.A N MET 109.A O no hydrogen 2.891 N/A ALA 114.A N ASN 110.A O no hydrogen 2.847 N/A GLN 115.A N LYS 111.A O no hydrogen 2.955 N/A LEU 116.A N LEU 112.A O no hydrogen 3.148 N/A LEU 116.A N ILE 113.A O no hydrogen 3.016 N/A GLY 117.A N ALA 114.A O no hydrogen 3.004 N/A GLY 118.A N ILE 113.A O no hydrogen 2.953 N/A GLY 121.A N GLY 118.A O no hydrogen 2.873 N/A VAL 122.A N PRO 119.A O no hydrogen 2.897 N/A THR 123.A N PRO 119.A O no hydrogen 3.194 N/A THR 123.A OG1 PRO 119.A O no hydrogen 3.554 N/A THR 123.A OG1 LEU 136.A O no hydrogen 3.220 N/A ALA 124.A N GLY 120.A O no hydrogen 2.795 N/A PHE 125.A N GLY 121.A O no hydrogen 3.231 N/A ALA 126.A N VAL 122.A O no hydrogen 3.097 N/A ARG 127.A N THR 123.A O no hydrogen 2.937 N/A ARG 127.A NH1 ASP 131.A O no hydrogen 2.804 N/A ARG 127.A NH1 PHE 134.A O no hydrogen 2.805 N/A ARG 127.A NH2 PHE 134.A O no hydrogen 3.004 N/A ALA 128.A N ALA 124.A O no hydrogen 3.016 N/A ILE 129.A N PHE 125.A O no hydrogen 3.125 N/A ILE 129.A N ALA 126.A O no hydrogen 3.159 N/A GLY 130.A N ARG 127.A O no hydrogen 3.085 N/A ASP 131.A N ALA 126.A O no hydrogen 2.878 N/A THR 133.A N ASP 131.A OD1 no hydrogen 2.906 N/A PHE 134.A N ASP 131.A OD1 no hydrogen 2.882 N/A ARG 135.A N THR 154.A O no hydrogen 3.147 N/A ARG 135.A NE ASP 137.A OD2 no hydrogen 2.916 N/A ARG 135.A NH2 ASP 137.A OD1 no hydrogen 2.901 N/A ARG 135.A NH2 ASP 137.A OD2 no hydrogen 3.541 N/A LEU 136.A N THR 123.A OG1 no hydrogen 2.969 N/A ASP 137.A N ASP 153.A OD1 no hydrogen 2.638 N/A ARG 138.A N ASP 153.A OD1 no hydrogen 3.050 N/A ARG 138.A NE ASP 153.A OD2 no hydrogen 2.764 N/A ARG 138.A NH1 THR 145.A OG1 no hydrogen 2.879 N/A ARG 138.A NH2 THR 145.A OG1 no hydrogen 3.035 N/A ARG 138.A NH2 ASP 153.A OD2 no hydrogen 2.834 N/A GLU 140.A N ASN 110.A OD1 no hydrogen 2.792 N/A THR 142.A OG1 THR 139.A O no hydrogen 3.534 N/A LEU 143.A N THR 139.A O no hydrogen 3.014 N/A ASN 144.A N PRO 141.A O no hydrogen 3.198 N/A ASN 144.A ND2 GLU 140.A OE1 no hydrogen 2.809 N/A ASN 144.A ND2 PRO 141.A O no hydrogen 3.088 N/A THR 145.A N THR 142.A O no hydrogen 3.176 N/A THR 145.A OG1 THR 142.A O no hydrogen 3.391 N/A ASP 150.A N ILE 147.A O no hydrogen 3.023 N/A ARG 152.A N ASP 150.A OD1 no hydrogen 2.999 N/A ARG 152.A NE ASP 150.A OD1 no hydrogen 3.142 N/A ARG 152.A NE ASP 150.A OD2 no hydrogen 3.025 N/A ARG 152.A NH2 ASP 150.A OD2 no hydrogen 2.706 N/A ASP 153.A N ASP 137.A OD2 no hydrogen 2.916 N/A THR 154.A OG1 PRO 151.A O no hydrogen 2.649 N/A THR 155.A N PHE 40.A O no hydrogen 3.114 N/A ARG 158.A N GLY 36.A O no hydrogen 2.980 N/A ARG 158.A NE ASP 37.A OD1 no hydrogen 2.754 N/A ARG 158.A NH2 ASP 37.A OD2 no hydrogen 2.888 N/A ALA 159.A N THR 156.A OG1 no hydrogen 3.100 N/A MET 160.A N THR 156.A O no hydrogen 3.017 N/A ALA 161.A N PRO 157.A O no hydrogen 2.944 N/A GLN 162.A N ARG 158.A O no hydrogen 3.094 N/A THR 163.A N ALA 159.A O no hydrogen 2.993 N/A THR 163.A OG1 ASP 131.A OD2 no hydrogen 2.651 N/A THR 163.A OG1 ALA 159.A O no hydrogen 3.349 N/A LEU 164.A N MET 160.A O no hydrogen 2.835 N/A ARG 165.A N ALA 161.A O no hydrogen 2.939 N/A ARG 165.A NH1 ASN 29.A OD1 no hydrogen 2.833 N/A ARG 165.A NH2 ASN 29.A OD1 no hydrogen 2.753 N/A GLN 166.A N GLN 162.A O no hydrogen 2.972 N/A LEU 167.A N THR 163.A O no hydrogen 2.913 N/A THR 168.A N LEU 164.A O no hydrogen 2.995 N/A THR 168.A OG1 LEU 164.A O no hydrogen 2.782 N/A LEU 169.A N ARG 165.A O no hydrogen 2.830 N/A GLY 170.A N ARG 165.A O no hydrogen 2.948 N/A ALA 172.A N GLN 166.A O no hydrogen 3.265 N/A GLY 174.A N GLU 59.A OE2 no hydrogen 2.873 N/A ARG 178.A N GLY 174.A O no hydrogen 2.818 N/A ARG 178.A NH1 GLY 170.A O no hydrogen 3.201 N/A ARG 178.A NH2 GLU 175.A OE2.A no hydrogen 3.224 N/A ALA 179.A N GLU 175.A O no hydrogen 2.996 N/A GLN 180.A N THR 176.A O no hydrogen 3.026 N/A GLN 180.A NE2 GLN 180.A O no hydrogen 3.087 N/A LEU 181.A N GLN 177.A O no hydrogen 2.942 N/A VAL 182.A N ARG 178.A O no hydrogen 2.981 N/A THR 183.A N ALA 179.A O no hydrogen 2.864 N/A THR 183.A OG1 ALA 179.A O no hydrogen 2.928 N/A TRP 184.A N GLN 180.A O no hydrogen 2.911 N/A LEU 185.A N LEU 181.A O no hydrogen 2.950 N/A LYS 186.A N VAL 182.A O no hydrogen 2.887 N/A GLY 187.A N THR 183.A O no hydrogen 3.108 N/A GLY 187.A N TRP 184.A O no hydrogen 3.100 N/A ASN 188.A N LEU 185.A O no hydrogen 3.090 N/A ASN 188.A ND2 THR 190.A OG1 no hydrogen 3.102 N/A ASN 188.A ND2 ASP 207.A OD1 no hydrogen 2.932 N/A THR 189.A N GLN 102.A O no hydrogen 3.061 N/A THR 189.A OG1 GLN 102.A O no hydrogen 2.708 N/A THR 190.A N ASN 188.A OD1 no hydrogen 3.168 N/A THR 190.A OG1 ASN 188.A OD1 no hydrogen 3.158 N/A THR 190.A OG1 THR 209.A OG1 no hydrogen 2.745 N/A SER 194.A N GLY 191.A O no hydrogen 3.159 N/A ILE 195.A N ASP 219.A OD2 no hydrogen 2.959 N/A ARG 196.A NH1 ASP 207.A OD1 no hydrogen 2.861 N/A ALA 197.A N SER 194.A O no hydrogen 2.793 N/A GLY 198.A N ILE 195.A O no hydrogen 2.898 N/A LEU 199.A N ARG 196.A O no hydrogen 3.211 N/A TRP 203.A N PRO 200.A O no hydrogen 3.058 N/A THR 204.A N TRP 224.A O no hydrogen 3.211 N/A GLY 206.A N VAL 222.A O no hydrogen 2.945 N/A ASP 207.A N LEU 185.A O no hydrogen 3.258 N/A LYS 208.A N ILE 220.A O no hydrogen 2.905 N/A LYS 208.A NZ SER 104.A OG no hydrogen 2.808 N/A LYS 208.A NZ THR 209.A O no hydrogen 2.783 N/A THR 209.A OG1 THR 190.A OG1 no hydrogen 2.745 N/A GLY 210.A N ASN 218.A O no hydrogen 3.004 N/A GLY 212.A N THR 216.A O no hydrogen 2.977 N/A ASP 213.A N ASN 144.A O no hydrogen 3.204 N/A TYR 214.A N GLN 242.A O.A no hydrogen 2.911 N/A TYR 214.A N GLN 242.A O.B no hydrogen 2.846 N/A THR 216.A N GLY 212.A O no hydrogen 3.247 N/A THR 216.A N ASP 213.A O no hydrogen 3.132 N/A THR 216.A OG1 ASP 213.A O no hydrogen 2.732 N/A THR 216.A OG1 THR 238.A OG1 no hydrogen 2.754 N/A THR 217.A N PHE 237.A O no hydrogen 2.863 N/A THR 217.A OG1 GLY 215.A O no hydrogen 2.908 N/A ASN 218.A N GLY 210.A O no hydrogen 2.840 N/A ASN 218.A ND2 PRO 41.A O no hydrogen 2.793 N/A ASN 218.A ND2 MET 42.A O no hydrogen 3.056 N/A ASP 219.A N THR 235.A O no hydrogen 2.939 N/A ILE 220.A N LYS 208.A O no hydrogen 2.999 N/A ALA 221.A N LEU 233.A O no hydrogen 2.802 N/A VAL 222.A N GLY 206.A O no hydrogen 2.958 N/A ILE 223.A N LEU 231.A O no hydrogen 2.785 N/A TRP 224.A N THR 204.A O no hydrogen 2.799 N/A ARG 228.A N PRO 225.A O no hydrogen 3.284 N/A LEU 231.A N ILE 223.A O no hydrogen 2.776 N/A VAL 232.A N ILE 24.A O no hydrogen 2.908 N/A LEU 233.A N ALA 221.A O no hydrogen 2.861 N/A VAL 234.A N ALA 22.A O no hydrogen 2.872 N/A THR 235.A N ASP 219.A O no hydrogen 2.901 N/A THR 235.A OG1 ASP 219.A O no hydrogen 3.487 N/A TYR 236.A N GLY 20.A O no hydrogen 2.799 N/A TYR 236.A OH THR 45.A OG1 no hydrogen 2.864 N/A PHE 237.A N ASN 218.A OD1 no hydrogen 3.235 N/A THR 238.A N ARG 18.A O no hydrogen 3.030 N/A THR 238.A OG1 THR 216.A OG1 no hydrogen 2.754 N/A GLN 239.A N TYR 214.A O no hydrogen 2.784 N/A GLN 239.A NE2 GLY 215.A O no hydrogen 2.917 N/A GLN 239.A NE2 GLU 245.A O no hydrogen 2.823 N/A GLN 242.A NE2.B ASP 213.A OD2 no hydrogen 3.350 N/A ALA 244.A N GLN 241.A O no hydrogen 3.061 N/A ARG 247.A N THR 217.A OG1 no hydrogen 3.080 N/A ARG 247.A NE ASP 249.A OD1 no hydrogen 2.834 N/A ARG 247.A NH2 ASP 249.A OD2 no hydrogen 2.843 N/A VAL 250.A N ARG 247.A O no hydrogen 3.010 N/A ALA 252.A N ARG 248.A O no hydrogen 3.018 N/A SER 253.A N ASP 249.A O no hydrogen 2.953 N/A SER 253.A OG.A ASP 249.A O no hydrogen 3.222 N/A ALA 254.A N VAL 250.A O no hydrogen 2.961 N/A ALA 255.A N LEU 251.A O no hydrogen 2.930 N/A ARG 256.A N ALA 252.A O no hydrogen 2.920 N/A ARG 256.A NE GLU 260.A OE2 no hydrogen 2.889 N/A ARG 256.A NH1 GLU 260.A OE2 no hydrogen 3.537 N/A ILE 257.A N SER 253.A O no hydrogen 2.975 N/A ILE 258.A N ALA 254.A O no hydrogen 3.003 N/A ALA 259.A N ALA 255.A O no hydrogen 2.837 N/A GLU 260.A N ARG 256.A O no hydrogen 2.883 N/A GLY 261.A N ILE 257.A O no hydrogen 3.050 N/A GLY 261.A N ILE 258.A O no hydrogen 3.130 N/A LEU 262.A N ALA 259.A O no hydrogen 3.370 N/A