Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3t40_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 5.A N THR 1.A O no hydrogen 3.135 N/A ILE 6.A N VAL 2.A O no hydrogen 2.987 N/A LEU 7.A N LEU 3.A O no hydrogen 2.781 N/A GLU 8.A N ASP 4.A O no hydrogen 2.866 N/A GLY 9.A N SER 5.A O no hydrogen 3.389 N/A VAL 10.A N ILE 6.A O no hydrogen 3.167 N/A ARG 11.A N LEU 7.A O no hydrogen 2.713 N/A ALA 12.A N GLU 8.A O no hydrogen 2.933 N/A ASP 13.A N GLY 9.A O no hydrogen 2.976 N/A VAL 14.A N VAL 10.A O no hydrogen 2.888 N/A ALA 15.A N ARG 11.A O no hydrogen 2.900 N/A ALA 16.A N ALA 12.A O no hydrogen 2.972 N/A ARG 17.A N ASP 13.A O no hydrogen 3.052 N/A ARG 17.A NE GLU 117.A OE2 no hydrogen 2.634 N/A ARG 17.A NH2 GLU 117.A OE1 no hydrogen 2.883 N/A ARG 17.A NH2 GLU 117.A OE2 no hydrogen 3.269 N/A GLU 18.A N VAL 14.A O no hydrogen 2.857 N/A ALA 19.A N ALA 15.A O no hydrogen 3.082 N/A ALA 19.A N ALA 16.A O no hydrogen 3.247 N/A SER 20.A N ARG 17.A O no hydrogen 3.038 N/A VAL 21.A N ARG 17.A O no hydrogen 2.902 N/A SER 22.A N GLU 25.A OE1 no hydrogen 2.846 N/A GLU 25.A N SER 22.A OG no hydrogen 3.020 N/A ILE 26.A N SER 22.A O no hydrogen 2.871 N/A LYS 27.A N LEU 23.A O no hydrogen 2.994 N/A ALA 28.A N SER 24.A O no hydrogen 3.055 N/A ALA 29.A N GLU 25.A O no hydrogen 2.944 N/A ALA 30.A N ILE 26.A O no hydrogen 2.887 N/A ALA 31.A N LYS 27.A O no hydrogen 2.930 N/A ALA 32.A N ALA 28.A O no hydrogen 2.998 N/A ALA 33.A N ALA 29.A O no hydrogen 3.157 N/A ALA 33.A N ALA 30.A O no hydrogen 3.272 N/A LEU 37.A N ASP 124.A OD1 no hydrogen 2.750 N/A ALA 41.A N ASP 38.A OD1 no hydrogen 3.054 N/A ALA 42.A N ASP 38.A O no hydrogen 3.206 N/A LEU 43.A N VAL 39.A O no hydrogen 2.917 N/A ARG 44.A N MET 40.A O no hydrogen 3.000 N/A ARG 44.A N ALA 41.A O no hydrogen 3.232 N/A GLU 45.A N ALA 42.A O no hydrogen 3.224 N/A GLY 49.A N ASP 219.A O no hydrogen 2.980 N/A ILE 51.A N VAL 221.A O no hydrogen 2.802 N/A ALA 52.A N ILE 75.A O no hydrogen 3.083 N/A GLU 53.A N VAL 223.A O no hydrogen 2.843 N/A VAL 54.A N SER 77.A O no hydrogen 2.672 N/A ARG 56.A NE ILE 58.A O no hydrogen 2.801 N/A ARG 56.A NH1 GLN 86.A O no hydrogen 3.089 N/A ARG 56.A NH1 ASP 91.A OD1 no hydrogen 3.555 N/A ARG 56.A NH1 ASP 91.A OD2 no hydrogen 2.945 N/A ARG 56.A NH2 ILE 58.A O no hydrogen 2.803 N/A ARG 56.A NH2 ASP 91.A OD1 no hydrogen 3.550 N/A LYS 63.A N ASP 60.A OD1 no hydrogen 3.186 N/A LEU 64.A N ASP 60.A O no hydrogen 3.262 N/A ALA 65.A N PRO 61.A O no hydrogen 2.930 N/A GLN 66.A N ALA 62.A O no hydrogen 2.884 N/A ALA 67.A N LYS 63.A O no hydrogen 3.161 N/A TYR 68.A N LEU 64.A O no hydrogen 3.001 N/A TYR 68.A OH GLU 53.A O no hydrogen 2.839 N/A GLN 69.A N ALA 65.A O no hydrogen 2.940 N/A ASP 70.A N GLN 66.A O no hydrogen 2.866 N/A GLY 71.A N ALA 67.A O no hydrogen 2.957 N/A GLY 71.A N TYR 68.A O no hydrogen 3.241 N/A GLY 72.A N GLN 69.A O no hydrogen 2.932 N/A ALA 73.A N TYR 68.A O no hydrogen 3.045 N/A ARG 74.A N VAL 50.A O no hydrogen 2.814 N/A ARG 74.A NH1 ALA 42.A O no hydrogen 2.910 N/A ARG 74.A NH2 GLY 47.A O no hydrogen 3.217 N/A VAL 76.A N PRO 102.A O no hydrogen 2.970 N/A SER 77.A N ALA 52.A O no hydrogen 2.875 N/A SER 77.A OG GLU 53.A OE2 no hydrogen 2.699 N/A VAL 78.A N LEU 104.A O no hydrogen 2.771 N/A VAL 79.A N VAL 54.A O no hydrogen 3.152 N/A THR 80.A N LYS 106.A O no hydrogen 3.052 N/A THR 80.A OG1 ASP 107.A OD2.A no hydrogen 2.726 N/A ARG 83.A NE ASP 13.A OD2 no hydrogen 3.254 N/A ARG 83.A NH2 ASP 13.A OD1 no hydrogen 3.291 N/A ARG 84.A N GLU 81.A OE1 no hydrogen 2.887 N/A PHE 85.A N GLU 81.A OE1 no hydrogen 3.205 N/A GLN 86.A N GLN 82.A O no hydrogen 2.941 N/A GLY 87.A N GLU 81.A O no hydrogen 2.902 N/A SER 88.A N ASP 91.A OD2 no hydrogen 3.146 N/A ASP 91.A N SER 88.A O no hydrogen 2.955 N/A ASP 93.A N LEU 89.A O no hydrogen 3.174 N/A ALA 94.A N ASP 90.A O no hydrogen 3.075 N/A VAL 95.A N ASP 91.A O no hydrogen 2.905 N/A ARG 96.A N LEU 92.A O no hydrogen 2.867 N/A ARG 96.A NE ARG 96.A O no hydrogen 3.007 N/A ARG 96.A NH1 GLY 122.A O no hydrogen 2.941 N/A ARG 96.A NH1 ASP 124.A OD2 no hydrogen 2.601 N/A ARG 96.A NH2 VAL 99.A O no hydrogen 3.370 N/A ARG 96.A NH2 ILE 101.A O no hydrogen 2.882 N/A ALA 97.A N ASP 93.A O no hydrogen 3.091 N/A SER 98.A N VAL 95.A O no hydrogen 2.921 N/A SER 98.A OG.A ALA 62.A O no hydrogen 3.377 N/A SER 98.A OG.A VAL 95.A O no hydrogen 2.870 N/A SER 98.A OG.B ALA 94.A O no hydrogen 2.975 N/A VAL 99.A N VAL 95.A O no hydrogen 3.214 N/A SER 100.A N GLN 69.A OE1 no hydrogen 2.800 N/A ILE 101.A N GLN 69.A OE1 no hydrogen 3.419 N/A VAL 103.A N ASP 124.A OD2 no hydrogen 2.815 N/A LEU 104.A N VAL 76.A O no hydrogen 2.763 N/A ARG 105.A N MET 125.A O no hydrogen 2.896 N/A ARG 105.A NE THR 80.A OG1 no hydrogen 2.995 N/A ARG 105.A NH1 GLU 117.A OE1 no hydrogen 2.872 N/A ARG 105.A NH2 ASP 107.A OD2.A no hydrogen 3.421 N/A ARG 105.A NH2 GLU 117.A OE1 no hydrogen 3.008 N/A LYS 106.A N VAL 78.A O no hydrogen 2.857 N/A LYS 106.A NZ GLU 53.A OE2 no hydrogen 2.856 N/A PHE 108.A N ASP 107.A OD1.A no hydrogen 2.584 N/A VAL 110.A N GLN 114.A OE1 no hydrogen 2.746 N/A GLN 111.A N GLN 114.A OE1 no hydrogen 3.086 N/A TYR 113.A OH VAL 21.A O no hydrogen 2.665 N/A GLN 114.A N GLN 111.A O no hydrogen 2.934 N/A GLN 114.A NE2 PHE 108.A O no hydrogen 2.827 N/A ILE 115.A N PRO 112.A O no hydrogen 2.905 N/A HIS 116.A N PRO 112.A O no hydrogen 3.306 N/A GLU 117.A N TYR 113.A O no hydrogen 2.893 N/A ALA 118.A N GLN 114.A O no hydrogen 2.848 N/A ARG 119.A N ILE 115.A O no hydrogen 3.162 N/A ARG 119.A NE ALA 123.A O no hydrogen 2.995 N/A ARG 119.A NH1 ALA 123.A O no hydrogen 2.894 N/A ARG 119.A NH2 PRO 34.A O no hydrogen 2.856 N/A ALA 120.A N HIS 116.A O no hydrogen 2.839 N/A HIS 121.A N GLU 117.A O no hydrogen 3.081 N/A HIS 121.A N ALA 118.A O no hydrogen 3.177 N/A HIS 121.A ND1 ASP 93.A OD1 no hydrogen 2.592 N/A GLY 122.A N ARG 119.A O no hydrogen 2.971 N/A ALA 123.A N ALA 118.A O no hydrogen 2.977 N/A ASP 124.A N VAL 103.A O no hydrogen 2.859 N/A MET 125.A N VAL 103.A O no hydrogen 3.131 N/A LEU 126.A N THR 151.A O no hydrogen 2.941 N/A LEU 127.A N ARG 105.A O no hydrogen 3.161 N/A LEU 128.A N LEU 153.A O no hydrogen 2.944 N/A VAL 130.A N GLU 155.A O no hydrogen 2.998 N/A ALA 132.A N ILE 129.A O no hydrogen 2.940 N/A LEU 133.A N VAL 130.A O no hydrogen 3.167 N/A GLN 135.A NE2 ARG 164.A O no hydrogen 3.172 N/A LEU 138.A N GLU 134.A O no hydrogen 2.950 N/A VAL 139.A N GLN 135.A O no hydrogen 2.935 N/A SER 140.A N SER 136.A O no hydrogen 3.220 N/A MET 141.A N VAL 137.A O no hydrogen 2.819 N/A LEU 142.A N LEU 138.A O no hydrogen 2.858 N/A ASP 143.A N VAL 139.A O no hydrogen 2.953 N/A ARG 144.A N SER 140.A O no hydrogen 3.016 N/A ARG 144.A NH1 HIS 116.A NE2 no hydrogen 2.868 N/A THR 145.A N MET 141.A O no hydrogen 2.943 N/A THR 145.A OG1 MET 141.A O no hydrogen 2.777 N/A GLU 146.A N LEU 142.A O no hydrogen 3.020 N/A SER 147.A N ASP 143.A O no hydrogen 2.869 N/A SER 147.A OG ARG 144.A O no hydrogen 2.672 N/A LEU 148.A N ARG 144.A O no hydrogen 3.262 N/A LEU 148.A N THR 145.A O no hydrogen 3.249 N/A GLY 149.A N GLU 146.A O no hydrogen 2.896 N/A MET 150.A N THR 145.A O no hydrogen 3.126 N/A THR 151.A N ASP 124.A O no hydrogen 3.041 N/A LEU 153.A N LEU 126.A O no hydrogen 2.850 N/A VAL 154.A N VAL 172.A O no hydrogen 3.083 N/A GLU 155.A N LEU 128.A O no hydrogen 2.776 N/A VAL 156.A N GLY 174.A O no hydrogen 2.760 N/A HIS 157.A N GLU 161.A OE1 no hydrogen 2.768 N/A HIS 157.A ND1 ASN 176.A O no hydrogen 2.654 N/A GLU 161.A N THR 158.A OG1 no hydrogen 3.046 N/A ALA 162.A N THR 158.A O no hydrogen 2.984 N/A ASP 163.A N GLU 159.A O no hydrogen 2.938 N/A ARG 164.A N GLN 160.A O no hydrogen 2.982 N/A ARG 164.A NE GLN 135.A OE1 no hydrogen 3.058 N/A ARG 164.A NH1 VAL 130.A O no hydrogen 3.164 N/A ARG 164.A NH1 LEU 133.A O no hydrogen 3.389 N/A ARG 164.A NH2 LEU 133.A O no hydrogen 2.575 N/A ARG 164.A NH2 GLN 135.A OE1 no hydrogen 3.128 N/A ALA 165.A N GLU 161.A O no hydrogen 2.824 N/A LEU 166.A N ALA 162.A O no hydrogen 2.919 N/A LYS 167.A N ASP 163.A O no hydrogen 2.968 N/A ALA 168.A N ARG 164.A O no hydrogen 3.047 N/A GLY 169.A N LEU 166.A O no hydrogen 3.009 N/A ALA 170.A N ALA 165.A O no hydrogen 2.996 N/A ILE 173.A N ILE 197.A O no hydrogen 2.845 N/A GLY 174.A N VAL 154.A O no hydrogen 2.840 N/A VAL 175.A N ILE 199.A O no hydrogen 2.800 N/A ASN 176.A N VAL 156.A O no hydrogen 2.946 N/A ASN 176.A ND2 GLU 155.A OE2 no hydrogen 3.102 N/A ALA 177.A N SER 202.A OG no hydrogen 2.867 N/A ARG 178.A N ASN 176.A OD1 no hydrogen 2.955 N/A ASP 181.A N ALA 177.A O no hydrogen 2.869 N/A ASP 183.A N ASP 181.A OD1 no hydrogen 3.128 N/A CYS 184.A N ASP 181.A O no hydrogen 3.153 N/A CYS 184.A SG.A HIS 157.A O no hydrogen 3.913 N/A CYS 184.A SG.A ASP 181.A O no hydrogen 3.156 N/A CYS 184.A SG.B HIS 157.A O no hydrogen 3.210 N/A CYS 184.A SG.B ASN 176.A O no hydrogen 3.944 N/A ARG 187.A N ASP 183.A O no hydrogen 3.198 N/A ARG 187.A NH1 ASP 181.A OD2 no hydrogen 2.820 N/A ARG 187.A NH2 ASP 181.A OD1 no hydrogen 2.845 N/A ARG 187.A NH2 ASP 181.A OD2 no hydrogen 2.875 N/A ILE 188.A N PHE 185.A O no hydrogen 3.307 N/A ALA 189.A N PHE 185.A O no hydrogen 2.761 N/A GLY 191.A N ILE 188.A O no hydrogen 3.116 N/A LEU 192.A N ALA 189.A O no hydrogen 3.067 N/A VAL 196.A N PRO 193.A O no hydrogen 3.193 N/A ILE 197.A N LYS 171.A O no hydrogen 2.962 N/A ARG 198.A N ASP 219.A OD2 no hydrogen 2.825 N/A ARG 198.A NE VAL 196.A O no hydrogen 3.297 N/A ILE 199.A N ILE 173.A O no hydrogen 2.911 N/A ALA 200.A N ALA 220.A O no hydrogen 3.086 N/A GLU 201.A N VAL 175.A O no hydrogen 3.022 N/A SER 202.A OG ASN 176.A OD1 no hydrogen 2.981 N/A ARG 205.A N ASP 209.A OD2 no hydrogen 2.860 N/A ARG 205.A NH1 GLY 203.A O no hydrogen 3.014 N/A LEU 210.A N GLY 206.A O no hydrogen 3.287 N/A LEU 211.A N THR 207.A O no hydrogen 2.901 N/A ALA 212.A N ALA 208.A O no hydrogen 2.907 N/A TYR 213.A N ASP 209.A O no hydrogen 3.053 N/A TYR 213.A OH SER 202.A O no hydrogen 2.585 N/A ALA 214.A N LEU 210.A O no hydrogen 2.860 N/A GLY 215.A N LEU 211.A O no hydrogen 2.794 N/A ALA 216.A N ALA 212.A O no hydrogen 3.178 N/A ALA 216.A N TYR 213.A O no hydrogen 3.017 N/A GLY 217.A N ALA 214.A O no hydrogen 3.060 N/A ALA 218.A N TYR 213.A O no hydrogen 2.912 N/A ASP 219.A N ARG 198.A O no hydrogen 2.747 N/A ALA 220.A N ARG 198.A O no hydrogen 3.351 N/A VAL 221.A N GLY 49.A O no hydrogen 2.837 N/A LEU 222.A N ALA 200.A O no hydrogen 2.896 N/A VAL 223.A N ILE 51.A O no hydrogen 2.858 N/A SER 230.A N GLY 226.A O no hydrogen 3.014 N/A SER 230.A OG LEU 227.A O no hydrogen 2.477 N/A GLY 231.A N VAL 228.A O no hydrogen 2.767 N/A ASP 232.A N SER 230.A OG no hydrogen 2.933 N/A ALA 235.A N ASP 232.A OD1 no hydrogen 3.405 N/A ALA 236.A N ASP 232.A O no hydrogen 2.950 N/A VAL 237.A N PRO 233.A O no hydrogen 2.903 N/A ALA 238.A N ARG 234.A O no hydrogen 2.847 N/A ASP 239.A N ALA 235.A O no hydrogen 2.882 N/A LEU 240.A N ALA 236.A O no hydrogen 3.296 N/A VAL 241.A N VAL 237.A O no hydrogen 2.816 N/A THR 242.A N ALA 238.A O no hydrogen 3.104 N/A THR 242.A OG1 ALA 238.A O no hydrogen 2.856 N/A THR 242.A OG1 ASP 239.A O no hydrogen 3.408 N/A ALA 243.A N LEU 240.A O no hydrogen 3.040 N/A THR 245.A N THR 242.A O no hydrogen 3.063 N/A THR 245.A OG1 THR 242.A O no hydrogen 2.522 N/A