Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3r9s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 5.A N THR 16.A O no hydrogen 2.874 N/A GLU 7.A N VAL 14.A O no hydrogen 2.988 N/A ARG 8.A NE GLY 10.A O no hydrogen 3.002 N/A ARG 8.A NH2 GLY 10.A O no hydrogen 2.727 N/A ARG 9.A N VAL 12.A O no hydrogen 2.845 N/A ARG 9.A NE GLU 7.A OE1 no hydrogen 2.750 N/A ARG 9.A NH2 GLU 7.A OE1 no hydrogen 3.323 N/A VAL 12.A N ARG 9.A O no hydrogen 3.023 N/A MET 13.A N ALA 49.A O no hydrogen 3.012 N/A VAL 14.A N GLU 7.A O no hydrogen 2.792 N/A ILE 15.A N VAL 51.A O no hydrogen 2.755 N/A THR 16.A N LEU 5.A O no hydrogen 2.759 N/A ILE 17.A N THR 53.A O no hydrogen 2.745 N/A ASN 18.A N GLY 3.A O no hydrogen 2.808 N/A ASN 18.A ND2 PRO 2.A O no hydrogen 3.202 N/A ARG 19.A N ASN 24.A OD1 no hydrogen 2.826 N/A ARG 19.A NH1 ALA 25.A O no hydrogen 2.702 N/A ARG 19.A NH1 ASP 65.A OD2 no hydrogen 2.960 N/A ARG 19.A NH2 ASP 65.A OD2 no hydrogen 2.982 N/A ALA 22.A N ARG 19.A O no hydrogen 2.887 N/A ARG 23.A N PRO 20.A O no hydrogen 3.118 N/A ASN 24.A N ARG 19.A O no hydrogen 2.764 N/A ASN 24.A ND2 ALA 55.A O no hydrogen 2.942 N/A ASN 24.A ND2 SER 59.A O no hydrogen 2.866 N/A ALA 25.A N ALA 22.A O no hydrogen 3.018 N/A VAL 26.A N GLY 63.A O no hydrogen 3.037 N/A VAL 30.A N ASN 27.A OD1 no hydrogen 3.035 N/A SER 31.A N ASN 27.A O no hydrogen 3.046 N/A SER 31.A OG ASN 27.A O no hydrogen 3.414 N/A SER 31.A OG LEU 75.A O no hydrogen 2.796 N/A ILE 32.A N ALA 28.A O no hydrogen 2.875 N/A GLY 33.A N ALA 29.A O no hydrogen 3.256 N/A VAL 34.A N VAL 30.A O no hydrogen 2.864 N/A GLY 35.A N SER 31.A O no hydrogen 2.839 N/A ASP 36.A N ILE 32.A O no hydrogen 2.949 N/A ALA 37.A N GLY 33.A O no hydrogen 3.116 N/A LEU 38.A N VAL 34.A O no hydrogen 2.889 N/A GLU 39.A N GLY 35.A O no hydrogen 3.075 N/A GLU 40.A N ASP 36.A O no hydrogen 2.927 N/A ALA 41.A N ALA 37.A O no hydrogen 2.849 N/A GLN 42.A N LEU 38.A O no hydrogen 3.003 N/A GLN 42.A NE2 ASP 94.A OD2 no hydrogen 2.713 N/A HIS 43.A N GLU 39.A O no hydrogen 3.375 N/A HIS 43.A ND1 GLU 39.A O no hydrogen 3.125 N/A ASP 44.A N GLU 40.A O no hydrogen 3.171 N/A GLU 46.A N ASP 44.A OD1 no hydrogen 2.852 N/A VAL 47.A N ASP 44.A O no hydrogen 3.012 N/A ARG 48.A N ASN 11.A O no hydrogen 2.730 N/A ARG 48.A NH1 THR 197.A O no hydrogen 2.825 N/A VAL 50.A N PRO 96.A O no hydrogen 2.893 N/A VAL 51.A N MET 13.A O no hydrogen 2.808 N/A LEU 52.A N ILE 98.A O no hydrogen 2.879 N/A THR 53.A N ILE 15.A O no hydrogen 2.912 N/A THR 53.A OG1 ALA 100.A O no hydrogen 2.839 N/A THR 53.A OG1 ASN 102.A OD1 no hydrogen 3.330 N/A GLY 54.A N ASN 102.A OD1 no hydrogen 3.044 N/A ALA 55.A N ILE 17.A O no hydrogen 2.809 N/A PHE 60.A N THR 104.A O no hydrogen 2.850 N/A CYS 61.A N THR 104.A O no hydrogen 2.860 N/A CYS 61.A SG ASN 24.A O no hydrogen 3.320 N/A CYS 61.A SG GLY 63.A O no hydrogen 3.780 N/A ALA 62.A N ARG 23.A O no hydrogen 2.982 N/A ASP 65.A N VAL 26.A O no hydrogen 3.048 N/A ALA 68.A N ASP 65.A OD1 no hydrogen 2.857 N/A ILE 69.A N ASP 65.A O no hydrogen 3.096 N/A ALA 70.A N LEU 66.A O no hydrogen 2.987 N/A ARG 71.A N LYS 67.A O no hydrogen 3.077 N/A ARG 71.A N ALA 68.A O no hydrogen 3.234 N/A ARG 72.A N ILE 69.A O no hydrogen 3.123 N/A GLU 73.A N ALA 68.A O no hydrogen 2.955 N/A HIS 77.A NE2 ASP 36.A OD1 no hydrogen 2.790 N/A ASP 79.A N HIS 77.A ND1 no hydrogen 3.078 N/A HIS 80.A N HIS 77.A O no hydrogen 2.840 N/A HIS 80.A ND1 GLU 82.A OE2 no hydrogen 2.729 N/A GLU 82.A N GLU 82.A OE1 no hydrogen 2.769 N/A TRP 83.A N HIS 80.A O no hydrogen 3.129 N/A GLY 84.A N PRO 81.A O no hydrogen 3.075 N/A GLY 87.A N GLY 84.A O no hydrogen 3.029 N/A TYR 88.A N PHE 85.A O no hydrogen 3.127 N/A TYR 88.A OH SER 116.A OG no hydrogen 2.767 N/A VAL 89.A N PHE 85.A O no hydrogen 3.202 N/A ARG 90.A N TRP 83.A O no hydrogen 2.890 N/A ARG 90.A NH1 GLU 223.A OE1 no hydrogen 3.045 N/A ARG 90.A NH1 GLU 223.A OE2 no hydrogen 2.865 N/A HIS 91.A N TYR 88.A O no hydrogen 3.276 N/A HIS 91.A ND1 GLY 87.A O no hydrogen 2.700 N/A HIS 91.A NE2 GLU 39.A OE1.A no hydrogen 2.801 N/A ASP 94.A N GLN 42.A OE1 no hydrogen 2.733 N/A LYS 95.A NZ ALA 41.A O no hydrogen 2.801 N/A LYS 95.A NZ VAL 47.A O no hydrogen 2.822 N/A THR 97.A N ASP 117.A OD2 no hydrogen 2.786 N/A THR 97.A OG1 ASP 117.A OD2 no hydrogen 3.315 N/A ILE 98.A N VAL 50.A O no hydrogen 2.837 N/A ALA 99.A N LEU 118.A O no hydrogen 2.889 N/A ALA 100.A N LEU 52.A O no hydrogen 2.828 N/A VAL 101.A N VAL 120.A O no hydrogen 2.676 N/A ASN 102.A ND2 GLY 56.A O no hydrogen 2.969 N/A ASN 102.A ND2 SER 59.A O no hydrogen 2.966 N/A THR 104.A N LYS 58.A O no hydrogen 3.141 N/A THR 104.A OG1 LYS 58.A O no hydrogen 3.439 N/A ALA 105.A N GLN 126.A O no hydrogen 2.954 N/A LEU 106.A N CYS 61.A O no hydrogen 3.199 N/A GLY 107.A N GLY 128.A O no hydrogen 2.764 N/A GLY 109.A N LEU 106.A O no hydrogen 3.028 N/A THR 110.A OG1 ALA 105.A O no hydrogen 2.625 N/A THR 110.A OG1 GLY 128.A O no hydrogen 3.234 N/A GLU 111.A N GLY 107.A O no hydrogen 2.946 N/A LEU 112.A N GLY 108.A O no hydrogen 2.837 N/A ALA 113.A N GLY 109.A O no hydrogen 3.300 N/A LEU 114.A N THR 110.A O no hydrogen 2.906 N/A ALA 115.A N GLU 111.A O no hydrogen 3.029 N/A SER 116.A N ALA 113.A O no hydrogen 3.046 N/A SER 116.A OG TYR 88.A OH no hydrogen 2.767 N/A SER 116.A OG LEU 112.A O no hydrogen 2.740 N/A ASP 117.A N THR 97.A OG1 no hydrogen 2.905 N/A LEU 118.A N THR 97.A O no hydrogen 3.044 N/A VAL 119.A N ASN 177.A OD1 no hydrogen 2.851 N/A VAL 120.A N ALA 99.A O no hydrogen 2.760 N/A ALA 121.A N GLU 178.A O no hydrogen 2.854 N/A ASP 122.A N VAL 101.A O no hydrogen 2.827 N/A GLU 123.A N VAL 180.A O no hydrogen 2.913 N/A ARG 124.A N ASP 122.A OD1 no hydrogen 2.953 N/A ARG 124.A NE ASP 122.A OD1 no hydrogen 2.867 N/A ARG 124.A NH1 ASP 57.A OD2 no hydrogen 2.831 N/A ARG 124.A NH2 ASP 57.A OD1 no hydrogen 2.877 N/A ARG 124.A NH2 ASP 57.A OD2 no hydrogen 3.425 N/A ARG 124.A NH2 ASP 122.A OD2 no hydrogen 2.901 N/A ALA 125.A N ASP 122.A O no hydrogen 2.983 N/A PHE 127.A N LEU 165.A O no hydrogen 2.864 N/A GLY 128.A N THR 110.A OG1 no hydrogen 2.898 N/A GLU 131.A N GLU 131.A OE1 no hydrogen 2.832 N/A LYS 133.A N PRO 130.A O no hydrogen 2.885 N/A LYS 133.A NZ THR 161.A O no hydrogen 3.259 N/A ARG 134.A N GLU 131.A O no hydrogen 3.027 N/A LEU 136.A N GLU 131.A O no hydrogen 3.043 N/A ALA 139.A N ILE 137.A O no hydrogen 2.867 N/A GLY 142.A N GLU 111.A OE2 no hydrogen 2.743 N/A VAL 143.A N ALA 138.A O no hydrogen 3.087 N/A PHE 144.A N GLY 141.A O no hydrogen 3.236 N/A ARG 145.A N GLY 141.A O no hydrogen 2.819 N/A ARG 145.A NH1 VAL 89.A O no hydrogen 2.928 N/A ARG 145.A NH2 VAL 89.A O no hydrogen 3.179 N/A ARG 145.A NH2 ASP 222.A OD2 no hydrogen 2.883 N/A ILE 146.A N GLY 142.A O no hydrogen 3.028 N/A GLU 148.A N ARG 145.A O no hydrogen 2.998 N/A GLN 149.A N ILE 146.A O no hydrogen 3.222 N/A GLN 149.A NE2 LEU 114.A O no hydrogen 2.768 N/A LEU 150.A N ILE 146.A O no hydrogen 2.921 N/A ALA 155.A N PRO 151.A O no hydrogen 2.758 N/A MET 156.A N ARG 152.A O no hydrogen 2.875 N/A ARG 157.A N LYS 153.A O no hydrogen 3.157 N/A ARG 157.A NH1.B GLU 163.A OE1 no hydrogen 2.660 N/A ARG 157.A NH2.B GLU 163.A OE1 no hydrogen 2.947 N/A LEU 158.A N VAL 154.A O no hydrogen 3.260 N/A LEU 159.A N ALA 155.A O no hydrogen 3.010 N/A LEU 160.A N MET 156.A O no hydrogen 2.841 N/A THR 161.A N ARG 157.A O no hydrogen 2.837 N/A THR 161.A OG1 ARG 157.A O no hydrogen 2.751 N/A GLY 162.A N LEU 158.A O no hydrogen 3.011 N/A GLU 163.A N THR 161.A OG1 no hydrogen 3.240 N/A LEU 165.A N PHE 127.A O no hydrogen 2.770 N/A ALA 167.A N ALA 125.A O no hydrogen 3.194 N/A ALA 169.A N SER 166.A OG no hydrogen 3.010 N/A ALA 170.A N SER 166.A O no hydrogen 2.882 N/A ARG 171.A N ALA 167.A O no hydrogen 2.900 N/A ARG 171.A NE ASP 172.A OD1 no hydrogen 2.803 N/A ARG 171.A NH2 ALA 168.A O no hydrogen 3.460 N/A ARG 171.A NH2 ASP 172.A OD1 no hydrogen 3.005 N/A ASP 172.A N ALA 168.A O no hydrogen 2.861 N/A TRP 173.A N ALA 169.A O no hydrogen 2.981 N/A GLY 174.A N ARG 171.A O no hydrogen 3.018 N/A LEU 175.A N ALA 170.A O no hydrogen 3.019 N/A ILE 176.A N ALA 170.A O no hydrogen 3.453 N/A ASN 177.A N VAL 119.A O no hydrogen 2.947 N/A VAL 180.A N ALA 121.A O no hydrogen 2.923 N/A ALA 182.A N GLU 123.A OE2 no hydrogen 3.072 N/A GLY 183.A N ASP 122.A OD2 no hydrogen 2.749 N/A SER 184.A N GLU 181.A O no hydrogen 3.033 N/A SER 184.A OG GLU 181.A O no hydrogen 2.844 N/A ALA 188.A N SER 184.A O no hydrogen 3.134 N/A ALA 189.A N VAL 185.A O no hydrogen 2.891 N/A LEU 190.A N LEU 186.A O no hydrogen 2.894 N/A ALA 191.A N ASP 187.A O no hydrogen 2.946 N/A LEU 192.A N ALA 188.A O no hydrogen 3.076 N/A ALA 193.A N ALA 189.A O no hydrogen 2.975 N/A SER 194.A N LEU 190.A O no hydrogen 2.967 N/A SER 194.A OG LEU 190.A O no hydrogen 2.932 N/A ALA 195.A N ALA 191.A O no hydrogen 3.203 N/A ILE 196.A N ALA 193.A O no hydrogen 2.957 N/A THR 197.A N ALA 193.A O no hydrogen 2.804 N/A THR 197.A OG1 ALA 193.A O no hydrogen 3.317 N/A VAL 198.A N SER 194.A O no hydrogen 3.414 N/A ASN 199.A N ILE 196.A O no hydrogen 2.973 N/A VAL 204.A N ALA 200.A O no hydrogen 3.116 N/A GLN 205.A N PRO 201.A O no hydrogen 3.014 N/A ALA 206.A N LEU 202.A O no hydrogen 2.852 N/A SER 207.A N SER 203.A O no hydrogen 2.909 N/A SER 207.A OG SER 203.A O no hydrogen 2.900 N/A LYS 208.A N VAL 204.A O no hydrogen 2.994 N/A LYS 208.A NZ ILE 93.A O no hydrogen 3.058 N/A LYS 208.A NZ LYS 95.A O no hydrogen 2.752 N/A LYS 208.A NZ ASP 117.A OD1 no hydrogen 3.501 N/A LYS 208.A NZ ASP 117.A OD2 no hydrogen 2.485 N/A ARG 209.A N GLN 205.A O no hydrogen 3.136 N/A ARG 209.A NH2 ASP 94.A OD1 no hydrogen 3.084 N/A ILE 210.A N ALA 206.A O no hydrogen 3.076 N/A ALA 211.A N SER 207.A O no hydrogen 2.929 N/A TYR 212.A N LYS 208.A O no hydrogen 3.179 N/A TYR 212.A OH ASP 117.A OD1 no hydrogen 2.616 N/A GLY 213.A N ILE 210.A O no hydrogen 3.098 N/A VAL 214.A N ARG 209.A O no hydrogen 2.888 N/A ASP 215.A N VAL 218.A O no hydrogen 3.055 N/A VAL 218.A N ASP 215.A O no hydrogen 3.022 N/A VAL 220.A N GLY 213.A O no hydrogen 3.390 N/A ASP 222.A N VAL 219.A O no hydrogen 3.058 N/A GLU 223.A N VAL 220.A O no hydrogen 3.344 N/A TRP 226.A N ASP 222.A O no hydrogen 3.036 N/A ASP 227.A N GLU 223.A O no hydrogen 2.927 N/A ARG 228.A N PRO 224.A O no hydrogen 2.989 N/A THR 229.A N GLY 225.A O no hydrogen 2.912 N/A THR 229.A OG1 GLY 225.A O no hydrogen 2.697 N/A MET 230.A N TRP 226.A O no hydrogen 2.927 N/A ARG 231.A N ASP 227.A O no hydrogen 2.968 N/A GLU 232.A N ARG 228.A O no hydrogen 3.000 N/A MET 233.A N THR 229.A O no hydrogen 3.076 N/A ARG 234.A N MET 230.A O no hydrogen 3.310 N/A LEU 236.A N GLU 232.A O no hydrogen 3.047 N/A LEU 237.A N MET 233.A O no hydrogen 3.003 N/A SER 239.A N LEU 236.A O no hydrogen 3.064 N/A SER 239.A OG LEU 236.A O no hydrogen 2.901 N/A GLU 240.A N ARG 260.A O no hydrogen 2.911 N/A ASP 241.A N ARG 260.A OXT no hydrogen 2.840 N/A ALA 242.A N SER 239.A O no hydrogen 3.142 N/A ALA 242.A N SER 239.A OG no hydrogen 3.014 N/A LYS 243.A N GLU 240.A O no hydrogen 2.970 N/A GLU 244.A N ASP 241.A O no hydrogen 2.937 N/A ARG 247.A N LYS 243.A O no hydrogen 3.185 N/A ALA 248.A N GLU 244.A O no hydrogen 2.756 N/A PHE 249.A N GLY 245.A O no hydrogen 3.167 N/A ALA 250.A N PRO 246.A O no hydrogen 2.943 N/A GLU 251.A N ARG 247.A O no hydrogen 3.146 N/A GLU 251.A N ALA 248.A O no hydrogen 3.115 N/A LYS 252.A N PHE 249.A O no hydrogen 3.178 N/A ARG 253.A N ALA 248.A O no hydrogen 3.179 N/A ARG 253.A NE GLU 251.A OE1 no hydrogen 2.673 N/A ARG 253.A NH1 GLU 244.A OE2 no hydrogen 2.627 N/A ARG 253.A NH1 GLU 254.A O no hydrogen 3.248 N/A ARG 253.A NH2 GLU 244.A OE1 no hydrogen 3.268 N/A ARG 253.A NH2 GLU 244.A OE2 no hydrogen 3.178 N/A ARG 253.A NH2 GLU 251.A OE1 no hydrogen 3.300 N/A VAL 256.A N GLU 244.A OE2 no hydrogen 2.929 N/A GLN 258.A N ASP 241.A OD1 no hydrogen 2.792 N/A ALA 259.A N ASP 241.A OD2 no hydrogen 2.887 N/A