Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1nio_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 2.A N LEU 50.A O no hydrogen 2.849 N/A VAL 3.A N LEU 50.A O no hydrogen 3.256 N/A PHE 5.A N GLN 52.A O no hydrogen 2.850 N/A LEU 7.A N SER 54.A O no hydrogen 3.021 N/A ALA 10.A N LEU 7.A O no hydrogen 3.033 N/A ASP 11.A N SER 14.A OG no hydrogen 2.771 N/A SER 14.A N ASP 11.A OD2 no hydrogen 2.913 N/A SER 14.A OG ASP 11.A O no hydrogen 2.976 N/A SER 14.A OG ASP 11.A OD2 no hydrogen 3.232 N/A TYR 15.A N ASP 11.A O no hydrogen 3.143 N/A TYR 15.A OH THR 157.A O no hydrogen 2.824 N/A SER 16.A N SER 12.A O no hydrogen 3.028 N/A SER 16.A OG SER 12.A O no hydrogen 3.268 N/A SER 16.A OG GLU 168.A OE1 no hydrogen 3.024 N/A LYS 17.A N LYS 13.A O no hydrogen 2.929 N/A PHE 18.A N SER 14.A O no hydrogen 3.150 N/A ILE 19.A N TYR 15.A O no hydrogen 2.964 N/A THR 20.A N SER 16.A O no hydrogen 2.948 N/A THR 20.A OG1 SER 16.A O no hydrogen 3.021 N/A ALA 21.A N LYS 17.A O no hydrogen 2.881 N/A LEU 22.A N PHE 18.A O no hydrogen 2.858 N/A ARG 23.A N ILE 19.A O no hydrogen 3.016 N/A ARG 23.A NE SER 162.A O no hydrogen 2.762 N/A ARG 23.A NH1 ALA 161.A O no hydrogen 2.854 N/A ARG 23.A NH1 GLU 168.A OE2 no hydrogen 2.790 N/A ARG 23.A NH2 GLU 168.A OE2 no hydrogen 3.187 N/A LYS 24.A N THR 20.A O no hydrogen 3.032 N/A ALA 25.A N ALA 21.A O no hydrogen 2.867 N/A ALA 25.A N LEU 22.A O no hydrogen 3.105 N/A SER 28.A OG LEU 37.A O no hydrogen 2.625 N/A VAL 32.A N ILE 35.A O no hydrogen 2.787 N/A ILE 35.A N VAL 32.A O no hydrogen 2.924 N/A LEU 37.A N GLU 30.A O no hydrogen 2.780 N/A LEU 38.A N LEU 240.A O no hydrogen 2.929 N/A SER 46.A OG SER 43.A O no hydrogen 2.731 N/A ARG 47.A N GLY 44.A O no hydrogen 3.306 N/A ARG 47.A NE ASP 66.A OD1 no hydrogen 3.056 N/A ARG 47.A NE ASP 66.A OD2 no hydrogen 3.145 N/A ARG 47.A NH2 ASP 66.A OD1 no hydrogen 2.789 N/A TYR 48.A N ALA 45.A O no hydrogen 2.997 N/A ILE 49.A N ILE 65.A O no hydrogen 2.969 N/A LEU 50.A N ASN 2.A OD1 no hydrogen 2.895 N/A MET 51.A N MET 63.A O no hydrogen 2.797 N/A GLN 52.A N VAL 3.A O no hydrogen 2.918 N/A LEU 53.A N ILE 61.A O no hydrogen 2.997 N/A SER 54.A N PHE 5.A O no hydrogen 3.054 N/A ASN 55.A N LYS 59.A O no hydrogen 3.013 N/A ASN 55.A ND2 THR 137.A OG1 no hydrogen 2.909 N/A TYR 56.A N ASP 133.A OD2 no hydrogen 2.855 N/A ALA 58.A N ASN 55.A O no hydrogen 2.972 N/A LYS 59.A N ASN 55.A OD1 no hydrogen 2.883 N/A ILE 61.A N LEU 53.A O no hydrogen 3.070 N/A THR 62.A N LEU 76.A O no hydrogen 3.045 N/A MET 63.A N MET 51.A O no hydrogen 2.787 N/A ALA 64.A N GLY 74.A O no hydrogen 3.064 N/A ILE 65.A N ILE 49.A O no hydrogen 2.856 N/A ASP 66.A N TYR 71.A O no hydrogen 2.930 N/A VAL 67.A N ARG 47.A O no hydrogen 2.850 N/A THR 68.A N ASP 66.A OD2 no hydrogen 2.936 N/A THR 68.A OG1 ASP 66.A OD2 no hydrogen 2.757 N/A ASN 69.A N ASP 66.A O no hydrogen 3.355 N/A VAL 70.A N ASP 66.A O no hydrogen 2.835 N/A TYR 71.A N ASN 69.A OD1 no hydrogen 3.002 N/A MET 73.A N ALA 64.A O no hydrogen 2.947 N/A TYR 75.A N TYR 82.A O no hydrogen 2.870 N/A TYR 75.A OH LEU 139.A O no hydrogen 2.543 N/A LEU 76.A N THR 62.A O no hydrogen 2.724 N/A VAL 77.A N THR 80.A O no hydrogen 3.066 N/A THR 80.A N VAL 77.A O no hydrogen 2.937 N/A SER 81.A N THR 101.A O no hydrogen 2.854 N/A SER 81.A OG SER 100.A OG no hydrogen 2.856 N/A TYR 82.A N TYR 75.A O no hydrogen 2.808 N/A PHE 83.A N VAL 103.A O no hydrogen 3.006 N/A PHE 84.A N MET 73.A O no hydrogen 3.082 N/A ASN 85.A N TYR 107.A O no hydrogen 2.956 N/A GLU 86.A N PHE 84.A O no hydrogen 3.038 N/A ALA 89.A N GLU 86.A O no hydrogen 3.073 N/A LYS 90.A N GLU 86.A O no hydrogen 2.990 N/A LEU 91.A N SER 87.A O no hydrogen 3.053 N/A ALA 92.A N ASP 88.A O no hydrogen 2.997 N/A SER 93.A N ALA 89.A O no hydrogen 2.936 N/A SER 93.A OG LYS 90.A O no hydrogen 2.522 N/A GLN 94.A N LEU 91.A O no hydrogen 2.981 N/A TYR 95.A N ALA 92.A O no hydrogen 2.877 N/A VAL 96.A N ALA 92.A O no hydrogen 3.144 N/A LYS 98.A NZ GLN 94.A O no hydrogen 3.302 N/A SER 100.A N PHE 97.A O no hydrogen 3.066 N/A SER 100.A OG SER 81.A OG no hydrogen 2.856 N/A SER 100.A OG PHE 97.A O no hydrogen 2.669 N/A THR 101.A N SER 79.A O no hydrogen 2.974 N/A VAL 103.A N SER 81.A O no hydrogen 2.732 N/A LEU 105.A N PHE 83.A O no hydrogen 2.793 N/A GLY 109.A N GLU 86.A OE1 no hydrogen 2.640 N/A TYR 111.A OH GLU 160.A OE2 no hydrogen 2.605 N/A ARG 113.A N ASN 110.A OD1 no hydrogen 3.241 N/A LEU 114.A N ASN 110.A O no hydrogen 3.060 N/A GLN 115.A N TYR 111.A O no hydrogen 2.890 N/A ASN 116.A N GLU 112.A O no hydrogen 3.120 N/A ALA 117.A N ARG 113.A O no hydrogen 2.895 N/A ALA 118.A N LEU 114.A O no hydrogen 2.811 N/A GLY 119.A N ASN 116.A O no hydrogen 3.243 N/A LYS 120.A N GLN 115.A O no hydrogen 3.105 N/A ARG 122.A N GLN 115.A OE1 no hydrogen 2.918 N/A ARG 122.A NE GLN 115.A OE1 no hydrogen 3.197 N/A ARG 122.A NH1 ASN 190.A OD1 no hydrogen 2.873 N/A ARG 122.A NH2 GLU 189.A OE1 no hydrogen 2.746 N/A ARG 122.A NH2 ASN 190.A OD1 no hydrogen 3.092 N/A GLU 123.A N GLU 123.A OE1 no hydrogen 2.788 N/A LYS 124.A N VAL 121.A O no hydrogen 2.894 N/A ILE 125.A N ARG 122.A O no hydrogen 3.267 N/A LEU 127.A N GLU 179.A O no hydrogen 3.015 N/A ALA 131.A N ASN 178.A OD1 no hydrogen 3.171 N/A PHE 132.A N GLY 128.A O no hydrogen 3.009 N/A ASP 133.A N PHE 129.A O no hydrogen 2.908 N/A SER 134.A N ARG 130.A O no hydrogen 2.915 N/A ALA 135.A N ALA 131.A O no hydrogen 2.874 N/A ILE 136.A N PHE 132.A O no hydrogen 2.994 N/A THR 137.A N ASP 133.A O no hydrogen 3.064 N/A THR 137.A OG1 ASP 133.A O no hydrogen 3.029 N/A SER 138.A N SER 134.A O no hydrogen 3.085 N/A SER 138.A OG SER 134.A O no hydrogen 3.149 N/A LEU 139.A N ALA 135.A O no hydrogen 3.169 N/A PHE 140.A N ILE 136.A O no hydrogen 2.820 N/A HIS 141.A N THR 137.A O no hydrogen 3.183 N/A TYR 142.A N LEU 139.A O no hydrogen 3.065 N/A ASP 143.A N SER 138.A O no hydrogen 2.946 N/A THR 145.A N ASP 143.A OD1 no hydrogen 3.160 N/A THR 145.A OG1 ASP 143.A OD1 no hydrogen 2.914 N/A ALA 146.A N ASP 143.A O no hydrogen 2.970 N/A ALA 150.A N ALA 146.A O no hydrogen 2.953 N/A PHE 151.A N ALA 147.A O no hydrogen 2.840 N/A LEU 152.A N ALA 148.A O no hydrogen 3.035 N/A VAL 153.A N GLY 149.A O no hydrogen 3.141 N/A ILE 154.A N ALA 150.A O no hydrogen 2.987 N/A ILE 155.A N PHE 151.A O no hydrogen 2.892 N/A GLN 156.A N LEU 152.A O no hydrogen 3.488 N/A GLN 156.A NE2 GLU 189.A OE2 no hydrogen 2.617 N/A THR 157.A N VAL 153.A O no hydrogen 3.006 N/A THR 157.A OG1 VAL 153.A O no hydrogen 2.781 N/A THR 158.A N ILE 154.A O no hydrogen 2.926 N/A THR 158.A OG1 ILE 154.A O no hydrogen 2.772 N/A ALA 159.A N THR 158.A OG1 no hydrogen 2.670 N/A GLU 160.A N ILE 155.A O no hydrogen 3.030 N/A SER 162.A N THR 158.A O no hydrogen 2.948 N/A SER 162.A OG ALA 159.A O no hydrogen 2.693 N/A ARG 163.A N ALA 159.A O no hydrogen 3.174 N/A ARG 163.A N GLU 160.A O no hydrogen 3.168 N/A ARG 163.A NH1 ASN 69.A O no hydrogen 2.565 N/A ARG 163.A NH2 GLU 160.A OE1 no hydrogen 2.927 N/A PHE 164.A N GLU 160.A O no hydrogen 3.080 N/A LYS 165.A N ASN 236.A O no hydrogen 2.866 N/A LYS 165.A NZ GLU 168.A OE2 no hydrogen 3.007 N/A TYR 166.A N ASN 236.A OD1 no hydrogen 3.122 N/A TYR 166.A OH SER 182.A OG no hydrogen 2.848 N/A GLU 168.A N PHE 164.A O no hydrogen 3.064 N/A GLY 169.A N LYS 165.A O no hydrogen 2.847 N/A GLN 170.A N TYR 166.A O no hydrogen 2.953 N/A ILE 171.A N ILE 167.A O no hydrogen 3.145 N/A ILE 172.A N GLU 168.A O no hydrogen 3.199 N/A LYS 173.A N GLY 169.A O no hydrogen 3.023 N/A ARG 174.A N GLN 170.A O no hydrogen 3.193 N/A ARG 174.A N ILE 171.A O no hydrogen 2.892 N/A ARG 174.A NE GLU 179.A O no hydrogen 2.996 N/A ARG 174.A NE VAL 180.A O no hydrogen 3.322 N/A ARG 174.A NH1 GLN 170.A O no hydrogen 2.904 N/A ARG 174.A NH2 VAL 180.A O no hydrogen 2.988 N/A ILE 175.A N ILE 172.A O no hydrogen 3.137 N/A GLU 179.A N LEU 127.A O no hydrogen 3.005 N/A VAL 180.A N GLU 179.A OE1 no hydrogen 2.790 N/A SER 182.A N GLN 170.A OE1 no hydrogen 2.913 N/A SER 182.A OG TYR 166.A OH no hydrogen 2.848 N/A ALA 185.A N SER 182.A OG no hydrogen 3.226 N/A LEU 186.A N SER 182.A O no hydrogen 3.361 N/A SER 187.A N PRO 183.A O no hydrogen 2.951 N/A LEU 188.A N ALA 184.A O no hydrogen 3.121 N/A GLU 189.A N ALA 185.A O no hydrogen 3.082 N/A ASN 190.A N LEU 186.A O no hydrogen 3.097 N/A GLU 191.A N SER 187.A O no hydrogen 3.103 N/A GLU 191.A N LEU 188.A O no hydrogen 3.171 N/A TRP 192.A N GLU 189.A O no hydrogen 3.492 N/A TRP 192.A NE1 LEU 239.A O no hydrogen 2.844 N/A LEU 195.A N GLU 191.A O no hydrogen 2.800 N/A SER 196.A N TRP 192.A O no hydrogen 2.942 N/A SER 196.A OG TRP 192.A O no hydrogen 2.736 N/A LYS 197.A N SER 193.A O no hydrogen 2.950 N/A GLN 198.A N ALA 194.A O no hydrogen 2.960 N/A ILE 199.A N LEU 195.A O no hydrogen 3.023 N/A GLN 200.A N SER 196.A O no hydrogen 3.299 N/A GLN 200.A NE2 SER 196.A O no hydrogen 2.879 N/A GLN 200.A NE2 LEU 241.A O no hydrogen 2.856 N/A LEU 201.A N LYS 197.A O no hydrogen 2.998 N/A ALA 202.A N GLN 198.A O no hydrogen 2.788 N/A GLN 203.A N GLN 200.A O no hydrogen 3.197 N/A GLN 203.A NE2 SER 33.A OG no hydrogen 2.899 N/A GLN 203.A NE2 ILE 199.A O no hydrogen 2.760 N/A THR 204.A N LEU 201.A O no hydrogen 3.127 N/A THR 204.A OG1 LEU 201.A O no hydrogen 3.480 N/A ASN 205.A N ALA 202.A O no hydrogen 3.010 N/A ASN 205.A ND2 ALA 208.A O no hydrogen 2.714 N/A GLY 207.A N ALA 202.A O no hydrogen 2.975 N/A ALA 208.A N ASN 205.A O no hydrogen 3.186 N/A PHE 209.A N LYS 226.A O no hydrogen 2.723 N/A ARG 210.A N GLN 198.A OE1 no hydrogen 2.887 N/A THR 211.A N GLN 198.A OE1 no hydrogen 3.094 N/A VAL 213.A N ILE 225.A O no hydrogen 2.913 N/A ILE 215.A N VAL 223.A O no hydrogen 2.992 N/A ILE 216.A N SER 187.A OG no hydrogen 3.133 N/A ASP 217.A N GLN 221.A O no hydrogen 2.831 N/A LYS 219.A N ASP 217.A OD2 no hydrogen 2.835 N/A GLY 220.A N ASP 217.A O no hydrogen 2.866 N/A GLN 221.A N ASP 217.A OD2 no hydrogen 2.654 N/A ARG 222.A NH1 GLU 224.A OE2 no hydrogen 2.923 N/A VAL 223.A N ILE 215.A O no hydrogen 2.852 N/A ILE 225.A N VAL 213.A O no hydrogen 2.802 N/A VAL 228.A N GLY 207.A O no hydrogen 2.946 N/A ASN 229.A N ASP 227.A OD1 no hydrogen 2.666 N/A ASN 229.A N ASP 227.A OD2 no hydrogen 3.080 N/A SER 230.A N ASP 227.A O no hydrogen 3.305 N/A VAL 232.A N SER 230.A OG no hydrogen 3.214 N/A VAL 233.A N SER 230.A O no hydrogen 3.048 N/A THR 234.A N SER 230.A O no hydrogen 3.069 N/A ASN 235.A N LYS 231.A O no hydrogen 2.890 N/A ILE 237.A N VAL 232.A O no hydrogen 3.055 N/A LYS 238.A N ARG 163.A O no hydrogen 2.725 N/A LEU 240.A N PRO 36.A O no hydrogen 3.037 N/A LEU 241.A N SER 196.A OG no hydrogen 3.046 N/A ASN 242.A ND2 LEU 38.A O no hydrogen 3.260 N/A LYS 243.A N GLN 200.A OE1 no hydrogen 3.131 N/A GLN 244.A N ASN 242.A OD1 no hydrogen 2.929 N/A ASN 245.A N ASN 242.A O no hydrogen 2.837 N/A ASN 245.A ND2 PRO 40.A O no hydrogen 3.349 N/A ILE 246.A N LYS 243.A O no hydrogen 3.104 N/A