Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1nd4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N GLU 77.A OE1 no hydrogen 3.008 N/A TRP 6.A N PRO 3.A O no hydrogen 2.900 N/A TRP 6.A NE1 ASP 73.A OD2 no hydrogen 2.719 N/A VAL 7.A N ALA 4.A O no hydrogen 3.119 N/A LEU 10.A N TRP 6.A O no hydrogen 2.901 N/A PHE 11.A N GLU 8.A O no hydrogen 3.240 N/A TYR 13.A N LEU 10.A O no hydrogen 3.140 N/A TYR 13.A OH PRO 36.A O no hydrogen 2.563 N/A ASP 14.A N SER 31.A O no hydrogen 2.835 N/A ALA 16.A N ARG 29.A O no hydrogen 3.018 N/A GLN 18.A N VAL 27.A O no hydrogen 2.666 N/A GLN 18.A NE2 ALA 16.A O no hydrogen 2.911 N/A THR 19.A OG1 GLN 17.A OE1 no hydrogen 3.383 N/A CYS 22.A N ILE 20.A O no hydrogen 2.739 N/A CYS 22.A SG GLY 21.A O no hydrogen 3.503 N/A ALA 26.A N THR 42.A O no hydrogen 3.049 N/A VAL 27.A N THR 19.A OG1 no hydrogen 3.165 N/A PHE 28.A N VAL 40.A O no hydrogen 2.741 N/A ARG 29.A N ALA 16.A O no hydrogen 2.855 N/A LEU 30.A N LEU 38.A O no hydrogen 2.742 N/A SER 31.A N ASP 14.A O no hydrogen 2.966 N/A ARG 35.A N ALA 32.A O no hydrogen 3.091 N/A ARG 35.A NH1 PHE 11.A O no hydrogen 2.968 N/A LEU 38.A N LEU 30.A O no hydrogen 2.984 N/A PHE 39.A N LEU 85.A O no hydrogen 2.920 N/A VAL 40.A N PHE 28.A O no hydrogen 2.841 N/A LYS 41.A N LEU 83.A O no hydrogen 2.868 N/A LYS 41.A NZ GLU 54.A OE1 no hydrogen 2.812 N/A LYS 41.A NZ GLU 54.A OE2 no hydrogen 3.291 N/A LYS 41.A NZ ASP 199.A OD1 no hydrogen 2.615 N/A THR 42.A N ALA 26.A O no hydrogen 3.100 N/A THR 42.A OG1 ASP 81.A O no hydrogen 2.871 N/A ASP 43.A N ASP 81.A O no hydrogen 3.289 N/A LEU 44.A N ASP 24.A OD2 no hydrogen 2.863 N/A LEU 44.A N ASP 43.A OD1 no hydrogen 2.894 N/A SER 45.A OG ASP 81.A OD1 no hydrogen 2.700 N/A ASN 49.A N GLY 46.A O no hydrogen 3.243 N/A ASN 49.A ND2 LEU 44.A O no hydrogen 2.909 N/A ASN 49.A ND2 ASP 81.A OD2 no hydrogen 2.876 N/A LEU 51.A N ASN 49.A OD1 no hydrogen 2.861 N/A GLU 54.A N GLU 50.A O no hydrogen 3.116 N/A ALA 55.A N LEU 51.A O no hydrogen 3.108 N/A ALA 56.A N GLN 52.A O no hydrogen 3.049 N/A ARG 57.A N ASP 53.A O no hydrogen 2.884 N/A ARG 57.A NE LEU 203.A O no hydrogen 2.893 N/A ARG 57.A NH1 ASP 53.A O no hydrogen 3.049 N/A LEU 58.A N GLU 54.A O no hydrogen 2.589 N/A SER 59.A N ALA 55.A O no hydrogen 2.922 N/A SER 59.A OG ALA 55.A O no hydrogen 3.024 N/A TRP 60.A N ALA 56.A O no hydrogen 3.038 N/A TRP 60.A NE1 THR 121.A O no hydrogen 2.997 N/A LEU 61.A N ARG 57.A O no hydrogen 2.812 N/A ALA 62.A N LEU 58.A O no hydrogen 3.001 N/A THR 63.A N TRP 60.A O no hydrogen 2.954 N/A THR 63.A OG1 TRP 60.A O no hydrogen 2.574 N/A THR 64.A N LEU 61.A O no hydrogen 3.016 N/A THR 64.A OG1 LEU 61.A O no hydrogen 2.588 N/A GLY 65.A N ALA 62.A O no hydrogen 3.401 N/A VAL 66.A N THR 64.A OG1 no hydrogen 3.281 N/A CYS 68.A SG LEU 58.A O no hydrogen 3.903 N/A CYS 68.A SG VAL 66.A O no hydrogen 3.689 N/A LEU 72.A N LEU 84.A O no hydrogen 2.872 N/A ASP 73.A N LEU 84.A O no hydrogen 3.379 N/A VAL 75.A N TRP 82.A O no hydrogen 2.911 N/A THR 76.A OG1 ASP 81.A OD1 no hydrogen 2.662 N/A GLU 77.A N ARG 80.A O no hydrogen 2.887 N/A ARG 80.A NH1 ASP 24.A O no hydrogen 3.456 N/A ARG 80.A NH1 THR 42.A OG1 no hydrogen 2.681 N/A ARG 80.A NH2 ASP 24.A O no hydrogen 3.093 N/A ASP 81.A N ASP 43.A O no hydrogen 2.931 N/A TRP 82.A N VAL 75.A O no hydrogen 2.649 N/A LEU 83.A N LYS 41.A O no hydrogen 2.715 N/A LEU 84.A N ASP 73.A O no hydrogen 2.907 N/A LEU 85.A N PHE 39.A O no hydrogen 2.853 N/A GLY 86.A N ALA 70.A O no hydrogen 2.866 N/A GLN 91.A N VAL 189.A O no hydrogen 3.062 N/A LEU 93.A N ILE 187.A O no hydrogen 2.757 N/A SER 95.A N ASP 92.A OD2 no hydrogen 3.082 N/A SER 95.A OG ASP 92.A OD1 no hydrogen 2.982 N/A SER 95.A OG ASP 92.A OD2 no hydrogen 3.518 N/A SER 96.A N ASP 92.A O no hydrogen 3.024 N/A SER 96.A OG LEU 93.A O no hydrogen 2.929 N/A GLU 102.A N ALA 99.A O no hydrogen 3.019 N/A LYS 103.A N ALA 99.A O no hydrogen 3.035 N/A LYS 103.A NZ LEU 93.A O no hydrogen 2.931 N/A LYS 103.A NZ LEU 94.A O no hydrogen 3.120 N/A LYS 103.A NZ SER 96.A O no hydrogen 2.858 N/A VAL 104.A N PRO 100.A O no hydrogen 2.914 N/A SER 105.A N ALA 101.A O no hydrogen 3.273 N/A ILE 106.A N GLU 102.A O no hydrogen 2.912 N/A MET 107.A N LYS 103.A O no hydrogen 2.858 N/A ALA 108.A N VAL 104.A O no hydrogen 2.894 N/A ASP 109.A N SER 105.A O no hydrogen 2.917 N/A ALA 110.A N ILE 106.A O no hydrogen 2.905 N/A MET 111.A N MET 107.A O no hydrogen 3.030 N/A ARG 112.A N ALA 108.A O no hydrogen 2.934 N/A ARG 112.A NH2 ASP 109.A OD1 no hydrogen 2.960 N/A ARG 113.A N ASP 109.A O no hydrogen 3.085 N/A LEU 114.A N ALA 110.A O no hydrogen 3.065 N/A HIS 115.A N MET 111.A O no hydrogen 2.834 N/A HIS 115.A ND1 VAL 177.A O no hydrogen 3.116 N/A THR 116.A N ARG 113.A O no hydrogen 3.132 N/A THR 116.A OG1 ARG 112.A O no hydrogen 2.661 N/A LEU 117.A N LEU 114.A O no hydrogen 3.215 N/A ALA 120.A N ASP 118.A OD1 no hydrogen 2.724 N/A THR 121.A N ASP 118.A O no hydrogen 3.001 N/A THR 121.A OG1 ASP 118.A O no hydrogen 2.530 N/A CYS 122.A N PRO 119.A O no hydrogen 3.077 N/A HIS 126.A N VAL 205.A O no hydrogen 2.869 N/A GLN 127.A N ASP 125.A OD1 no hydrogen 2.938 N/A GLN 127.A NE2 ASP 125.A OD1 no hydrogen 3.469 N/A GLN 127.A NE2 ASP 125.A OD2 no hydrogen 3.000 N/A ALA 128.A N GLU 173.A OE2 no hydrogen 2.621 N/A ARG 131.A N GLN 127.A O no hydrogen 3.163 N/A ILE 132.A N ALA 128.A O no hydrogen 2.909 N/A GLU 133.A N LYS 129.A O no hydrogen 3.240 N/A ARG 134.A N HIS 130.A O no hydrogen 2.877 N/A ALA 135.A N ARG 131.A O no hydrogen 2.778 N/A ARG 136.A N ILE 132.A O no hydrogen 2.911 N/A ARG 136.A NE GLU 133.A OE1 no hydrogen 2.929 N/A ARG 136.A NH2 GLU 133.A OE1 no hydrogen 3.378 N/A THR 137.A N GLU 133.A O no hydrogen 3.052 N/A THR 137.A OG1 GLU 133.A O no hydrogen 3.393 N/A THR 137.A OG1 GLU 133.A OE2 no hydrogen 3.244 N/A ARG 138.A N ARG 134.A O no hydrogen 2.985 N/A MET 139.A N ALA 135.A O no hydrogen 2.949 N/A GLU 140.A N ARG 136.A O no hydrogen 2.932 N/A ALA 141.A N THR 137.A O no hydrogen 2.981 N/A GLY 142.A N MET 139.A O no hydrogen 2.918 N/A LEU 143.A N ARG 138.A O no hydrogen 2.921 N/A ASP 147.A N ASP 145.A OD1 no hydrogen 2.947 N/A ASP 148.A N ASP 145.A O no hydrogen 3.133 N/A ASP 150.A N GLU 253.A OE2 no hydrogen 2.821 N/A HIS 153.A N ASP 150.A O no hydrogen 2.963 N/A LEU 156.A N HIS 153.A O no hydrogen 3.135 N/A GLU 160.A N ALA 157.A O no hydrogen 2.820 N/A LEU 161.A N ALA 157.A O no hydrogen 3.097 N/A PHE 162.A N PRO 158.A O no hydrogen 2.760 N/A ALA 163.A N ALA 159.A O no hydrogen 3.003 N/A ARG 164.A N GLU 160.A O no hydrogen 3.003 N/A ARG 164.A NE GLU 160.A OE2 no hydrogen 2.874 N/A ARG 164.A NH2 GLU 160.A OE2 no hydrogen 3.421 N/A LEU 165.A N LEU 161.A O no hydrogen 2.863 N/A LYS 166.A N PHE 162.A O no hydrogen 2.990 N/A ALA 167.A N ALA 163.A O no hydrogen 3.108 N/A ARG 168.A N ARG 164.A O no hydrogen 3.178 N/A ARG 168.A N LEU 165.A O no hydrogen 3.061 N/A ARG 168.A NH1 ARG 164.A O no hydrogen 2.949 N/A MET 169.A N LYS 166.A O no hydrogen 3.149 N/A ASP 174.A N ASP 207.A OD2 no hydrogen 2.931 N/A VAL 176.A N ALA 206.A O no hydrogen 2.813 N/A THR 178.A N GLY 204.A O no hydrogen 2.800 N/A THR 178.A OG1 GLY 204.A O no hydrogen 2.728 N/A HIS 179.A N ASP 211.A OD2 no hydrogen 2.840 N/A HIS 179.A NE2 ILE 198.A O no hydrogen 2.990 N/A GLY 180.A N ASP 211.A OD1 no hydrogen 3.130 N/A ASP 181.A N HIS 179.A ND1 no hydrogen 3.022 N/A CYS 183.A N ASP 181.A O no hydrogen 2.751 N/A CYS 183.A SG ASP 181.A O no hydrogen 3.376 N/A CYS 183.A SG ASP 181.A OD1 no hydrogen 3.818 N/A LEU 184.A N ASP 218.A OD2 no hydrogen 2.603 N/A ASN 186.A N CYS 183.A O no hydrogen 3.078 N/A ASN 186.A ND2 ASP 181.A O no hydrogen 2.852 N/A ILE 187.A N LEU 184.A O no hydrogen 3.186 N/A MET 188.A N GLY 196.A O no hydrogen 2.901 N/A VAL 189.A N GLN 91.A O no hydrogen 2.802 N/A GLU 190.A N ARG 193.A O no hydrogen 2.859 N/A ARG 193.A N GLU 190.A O no hydrogen 3.187 N/A SER 195.A N MET 188.A O no hydrogen 2.731 N/A SER 195.A OG PRO 89.A O no hydrogen 2.598 N/A PHE 197.A N PRO 67.A O no hydrogen 3.048 N/A ILE 198.A N ASN 186.A O no hydrogen 3.132 N/A CYS 200.A N GLU 54.A OE2 no hydrogen 3.148 N/A CYS 200.A SG HIS 179.A NE2 no hydrogen 3.846 N/A ARG 202.A NE GLU 50.A OE1 no hydrogen 3.112 N/A ARG 202.A NE GLU 50.A OE2 no hydrogen 2.820 N/A ARG 202.A NH2 GLU 50.A OE1 no hydrogen 3.029 N/A LEU 203.A N CYS 200.A O no hydrogen 3.174 N/A GLY 204.A N THR 178.A O no hydrogen 2.961 N/A VAL 205.A N PHE 124.A O no hydrogen 2.812 N/A ALA 206.A N VAL 176.A O no hydrogen 2.954 N/A ARG 208.A N ASP 174.A O no hydrogen 3.194 N/A ARG 208.A NE ASP 174.A OD2 no hydrogen 2.716 N/A ARG 208.A NH1 TYR 235.A OH no hydrogen 2.893 N/A ARG 208.A NH2 ASP 174.A OD1 no hydrogen 3.429 N/A ARG 208.A NH2 ASP 174.A OD2 no hydrogen 3.233 N/A TYR 209.A N ASP 207.A OD1 no hydrogen 2.680 N/A GLN 210.A N ASP 207.A O no hydrogen 2.917 N/A ASP 211.A N ARG 208.A O no hydrogen 2.924 N/A ILE 212.A N ARG 208.A O no hydrogen 3.009 N/A ALA 213.A N TYR 209.A O no hydrogen 2.803 N/A ALA 215.A N ASP 211.A O no hydrogen 2.876 N/A THR 216.A N ILE 212.A O no hydrogen 2.994 N/A THR 216.A OG1 ILE 212.A O no hydrogen 2.731 N/A THR 216.A OG1 ALA 213.A O no hydrogen 3.111 N/A ARG 217.A N ALA 213.A O no hydrogen 3.208 N/A ARG 217.A NH1 ASP 252.A OD2 no hydrogen 2.810 N/A ARG 217.A NH2 ASP 252.A OD2 no hydrogen 3.382 N/A ASP 218.A N LEU 214.A O no hydrogen 2.936 N/A ILE 219.A N ALA 215.A O no hydrogen 2.885 N/A ALA 220.A N THR 216.A O no hydrogen 2.838 N/A GLU 221.A N ARG 217.A O no hydrogen 3.078 N/A GLU 222.A N ASP 218.A O no hydrogen 2.885 N/A LEU 223.A N ILE 219.A O no hydrogen 2.792 N/A GLY 224.A N ILE 219.A O no hydrogen 3.272 N/A GLY 224.A N ALA 220.A O no hydrogen 2.889 N/A GLU 226.A N GLU 226.A OE1 no hydrogen 2.643 N/A TRP 227.A N GLY 224.A O no hydrogen 3.093 N/A ALA 228.A N GLY 224.A O no hydrogen 3.308 N/A ASP 229.A N GLY 225.A O no hydrogen 2.996 N/A ARG 230.A N GLU 226.A O no hydrogen 3.148 N/A PHE 231.A N TRP 227.A O no hydrogen 2.888 N/A LEU 232.A N ALA 228.A O no hydrogen 3.276 N/A VAL 233.A N ASP 229.A O no hydrogen 3.077 N/A LEU 234.A N ARG 230.A O no hydrogen 2.950 N/A TYR 235.A N PHE 231.A O no hydrogen 2.749 N/A GLY 236.A N LEU 232.A O no hydrogen 2.827 N/A ILE 237.A N LEU 232.A O no hydrogen 2.820 N/A ASP 241.A N TYR 209.A OH no hydrogen 3.046 N/A ARG 244.A N ASP 241.A OD1 no hydrogen 3.093 N/A ARG 244.A NH1 GLY 172.A O no hydrogen 2.636 N/A ARG 244.A NH2 GLY 172.A O no hydrogen 2.720 N/A ILE 245.A N ASP 241.A O no hydrogen 3.009 N/A ALA 246.A N SER 242.A O no hydrogen 3.012 N/A PHE 247.A N GLN 243.A O no hydrogen 2.970 N/A TYR 248.A N ARG 244.A O no hydrogen 2.896 N/A ARG 249.A N ILE 245.A O no hydrogen 3.033 N/A ARG 249.A NE ALA 213.A O no hydrogen 2.979 N/A ARG 249.A NH2 ALA 213.A O no hydrogen 3.557 N/A ARG 249.A NH2 THR 216.A OG1 no hydrogen 2.959 N/A LEU 250.A N ALA 246.A O no hydrogen 3.068 N/A LEU 251.A N PHE 247.A O no hydrogen 2.930 N/A ASP 252.A N TYR 248.A O no hydrogen 3.096 N/A GLU 253.A N LEU 250.A O no hydrogen 3.060 N/A PHE 254.A N LEU 251.A O no hydrogen 3.002 N/A PHE 255.A N ASP 252.A O no hydrogen 3.180 N/A