Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 117e_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 1.A N ASP 22.A OD1 no hydrogen 3.121 N/A THR 3.A N GLU 20.A O no hydrogen 3.088 N/A THR 3.A OG1 GLU 20.A OE1 no hydrogen 2.940 N/A ARG 5.A N TYR 18.A O no hydrogen 2.755 N/A ARG 5.A NE GLU 20.A OE2 no hydrogen 2.593 N/A ARG 5.A NH1 PRO 262.A O no hydrogen 2.865 N/A ARG 5.A NH2 GLU 20.A OE2 no hydrogen 2.783 N/A ARG 5.A NH2 GLY 23.A O no hydrogen 3.438 N/A GLN 6.A NE2 GLY 8.A O no hydrogen 3.143 N/A ILE 7.A N LYS 16.A O no hydrogen 2.719 N/A GLY 8.A N SER 265.A O no hydrogen 3.175 N/A GLY 8.A N SER 265.A OG no hydrogen 3.322 N/A ASN 11.A ND2 ALA 270.A O no hydrogen 2.807 N/A THR 12.A OG1 ALA 9.A O no hydrogen 2.707 N/A THR 12.A OG1 GLU 14.A OE1 no hydrogen 3.178 N/A TYR 15.A N THR 12.A O no hydrogen 3.437 N/A TYR 15.A N THR 12.A OG1 no hydrogen 3.247 N/A LYS 16.A N ILE 7.A O no hydrogen 2.908 N/A LYS 16.A NZ GLU 63.A OE1 no hydrogen 2.979 N/A VAL 17.A N ILE 68.A O no hydrogen 3.024 N/A TYR 18.A N ARG 5.A O no hydrogen 2.812 N/A GLU 20.A N THR 3.A O no hydrogen 2.837 N/A LYS 21.A N LYS 24.A O no hydrogen 2.792 N/A ASP 22.A N THR 1.A O no hydrogen 2.964 N/A LYS 24.A N LYS 21.A O no hydrogen 3.119 N/A VAL 26.A N ILE 19.A O no hydrogen 2.918 N/A SER 27.A N ASP 31.A OD2 no hydrogen 2.682 N/A SER 27.A OG HIS 30.A ND1 no hydrogen 3.102 N/A SER 27.A OG ASN 66.A OD1 no hydrogen 2.668 N/A ALA 28.A N LEU 65.A O no hydrogen 3.228 N/A PHE 29.A N SER 27.A OG no hydrogen 3.134 N/A HIS 30.A N SER 27.A OG no hydrogen 2.936 N/A ASP 31.A N SER 27.A O no hydrogen 2.912 N/A LEU 34.A N GLN 98.A OE1 no hydrogen 3.276 N/A ALA 36.A N ILE 42.A O no hydrogen 2.685 N/A ASP 37.A N ILE 42.A O no hydrogen 3.024 N/A LYS 38.A NZ GLU 39.A OE2 no hydrogen 2.906 N/A ASN 40.A N ASP 37.A O no hydrogen 3.217 N/A ASN 40.A N ASP 37.A OD1 no hydrogen 3.149 N/A ASN 40.A ND2 ASP 37.A OD2 no hydrogen 2.704 N/A ASN 41.A N LYS 38.A O no hydrogen 2.938 N/A ILE 42.A N ASP 37.A O no hydrogen 2.898 N/A PHE 43.A N VAL 137.A O no hydrogen 2.833 N/A ASN 44.A N LEU 34.A O no hydrogen 2.951 N/A MET 45.A N LYS 135.A O no hydrogen 2.804 N/A VAL 46.A N ALA 95.A O no hydrogen 2.976 N/A VAL 47.A N GLN 133.A O no hydrogen 2.761 N/A GLU 48.A N TYR 93.A O no hydrogen 2.830 N/A ILE 49.A N TYR 93.A O no hydrogen 2.825 N/A ARG 51.A N ASN 92.A OD1 no hydrogen 3.054 N/A ARG 51.A NH1 GLU 126.A O no hydrogen 3.338 N/A ARG 51.A NH2 GLU 126.A O no hydrogen 2.850 N/A TRP 52.A N TYR 89.A O no hydrogen 2.669 N/A THR 53.A OG1 PRO 50.A O no hydrogen 2.639 N/A ASN 54.A ND2 VAL 80.A O no hydrogen 2.867 N/A ASN 54.A ND2 ASN 82.A OD1 no hydrogen 2.857 N/A LYS 56.A N ARG 78.A O no hydrogen 2.964 N/A LYS 56.A NZ GLU 58.A OE1 no hydrogen 3.217 N/A LEU 57.A N ALA 55.A O no hydrogen 2.873 N/A GLU 58.A N ILE 69.A O no hydrogen 2.730 N/A ILE 59.A N GLU 48.A OE2 no hydrogen 2.911 N/A THR 60.A N PRO 67.A O no hydrogen 2.932 N/A THR 64.A OG1 ASP 241.A OD2 no hydrogen 2.932 N/A ASN 66.A N GLU 63.A O no hydrogen 2.856 N/A ASN 66.A ND2 THR 60.A O no hydrogen 3.127 N/A ASN 66.A ND2 ASP 241.A O no hydrogen 3.531 N/A ILE 68.A N VAL 17.A O no hydrogen 2.793 N/A ILE 69.A N GLU 58.A O no hydrogen 2.777 N/A GLN 70.A NE2 ARG 78.A O no hydrogen 2.737 N/A ASP 71.A N LYS 56.A O no hydrogen 2.767 N/A LYS 73.A N LYS 76.A O no hydrogen 2.816 N/A LYS 76.A N LYS 73.A O no hydrogen 2.927 N/A ARG 78.A N ASP 71.A O no hydrogen 2.854 N/A ARG 78.A NH1 ASP 71.A OD2 no hydrogen 2.813 N/A VAL 80.A N ASN 54.A O no hydrogen 2.673 N/A ARG 81.A NH2 SER 275.A O no hydrogen 2.746 N/A ASN 82.A ND2 ASP 277.A O no hydrogen 3.189 N/A ASN 82.A ND2 LYS 278.A O no hydrogen 3.547 N/A CYS 83.A SG ARG 81.A O no hydrogen 3.762 N/A CYS 83.A SG ILE 191.A O no hydrogen 3.844 N/A PHE 84.A N PHE 280.A O no hydrogen 2.850 N/A HIS 86.A N CYS 83.A O no hydrogen 2.604 N/A HIS 86.A NE2 GLU 187.A OE1 no hydrogen 2.820 N/A GLY 88.A N ASN 82.A OD1 no hydrogen 2.865 N/A TYR 89.A N THR 53.A O no hydrogen 3.141 N/A HIS 91.A NE2 THR 185.A OG1 no hydrogen 2.675 N/A ASN 92.A N GLU 123.A O no hydrogen 3.023 N/A ASN 92.A ND2 GLU 123.A OE1 no hydrogen 2.964 N/A ASN 92.A ND2 THR 127.A O no hydrogen 2.822 N/A TYR 93.A N ILE 49.A O no hydrogen 2.777 N/A GLY 94.A N VAL 121.A O no hydrogen 3.108 N/A ALA 95.A N VAL 46.A O no hydrogen 3.000 N/A PHE 96.A N ILE 119.A O no hydrogen 3.193 N/A GLN 98.A N PHE 29.A O no hydrogen 2.942 N/A GLN 98.A NE2 HIS 30.A O no hydrogen 2.836 N/A THR 99.A OG1 PHE 96.A O no hydrogen 2.547 N/A TRP 100.A N THR 222.A O no hydrogen 2.957 N/A TRP 100.A NE1 ASN 116.A OD1 no hydrogen 3.027 N/A GLU 101.A N GLU 117.A O no hydrogen 2.925 N/A ASN 104.A N ASP 102.A OD1 no hydrogen 2.666 N/A ASN 104.A ND2 ASP 236.A O no hydrogen 2.755 N/A HIS 107.A N ALA 112.A O no hydrogen 2.760 N/A HIS 107.A NE2 ASP 102.A O no hydrogen 2.735 N/A THR 110.A N HIS 107.A O no hydrogen 3.224 N/A THR 110.A OG1 HIS 107.A O no hydrogen 3.273 N/A THR 110.A OG1 THR 151.A OG1 no hydrogen 2.451 N/A ALA 112.A N HIS 107.A O no hydrogen 3.325 N/A GLY 114.A N ASP 102.A O no hydrogen 2.725 N/A ASN 116.A N GLU 101.A O no hydrogen 2.892 N/A ILE 119.A N THR 99.A OG1 no hydrogen 2.851 N/A VAL 121.A N GLY 94.A O no hydrogen 3.041 N/A LEU 122.A N VAL 155.A O no hydrogen 2.652 N/A GLU 123.A N ASN 92.A O no hydrogen 2.983 N/A ILE 124.A N ALA 157.A O no hydrogen 2.887 N/A GLY 125.A N GLU 123.A OE2 no hydrogen 2.847 N/A GLU 126.A N ASP 162.A OD1 no hydrogen 2.923 N/A ALA 129.A N ASN 92.A OD1 no hydrogen 2.926 N/A TYR 130.A N GLN 133.A OE1 no hydrogen 3.179 N/A THR 131.A OG1 GLU 48.A O no hydrogen 2.653 N/A GLY 132.A N VAL 47.A O no hydrogen 2.987 N/A GLN 133.A N TYR 130.A O no hydrogen 3.129 N/A LYS 135.A N MET 45.A O no hydrogen 3.007 N/A LYS 135.A NZ GLU 123.A OE1 no hydrogen 2.866 N/A LYS 135.A NZ ASP 159.A OD2 no hydrogen 2.770 N/A VAL 137.A N PHE 43.A O no hydrogen 3.002 N/A LYS 138.A N ILE 158.A O no hydrogen 3.144 N/A LYS 138.A NZ LEU 168.A O no hydrogen 2.772 N/A LYS 138.A NZ ASN 169.A OD1 no hydrogen 3.262 N/A LEU 140.A N ILE 156.A O no hydrogen 2.909 N/A ILE 142.A N LYS 210.A O no hydrogen 2.905 N/A MET 143.A N LYS 154.A O no hydrogen 2.989 N/A LEU 146.A N GLN 202.A O no hydrogen 2.860 N/A ASP 147.A N GLU 150.A O no hydrogen 2.885 N/A GLU 148.A N ASN 201.A OD1 no hydrogen 2.930 N/A GLU 150.A N ASP 147.A O no hydrogen 2.978 N/A THR 151.A N VAL 113.A O no hydrogen 2.835 N/A THR 151.A OG1 THR 110.A OG1 no hydrogen 2.451 N/A THR 151.A OG1 ALA 112.A O no hydrogen 2.828 N/A ASP 152.A N LEU 145.A O no hydrogen 2.754 N/A LYS 154.A N MET 143.A O no hydrogen 2.995 N/A LYS 154.A NZ TYR 93.A OH no hydrogen 2.861 N/A LYS 154.A NZ ASP 120.A OD2 no hydrogen 2.473 N/A LYS 154.A NZ ASP 152.A OD2 no hydrogen 2.740 N/A VAL 155.A N ASP 120.A O no hydrogen 2.819 N/A ILE 156.A N GLY 141.A O no hydrogen 2.937 N/A ALA 157.A N LEU 122.A O no hydrogen 2.639 N/A ILE 158.A N LYS 138.A O no hydrogen 3.220 N/A ASP 159.A N GLU 123.A OE2 no hydrogen 2.841 N/A ILE 160.A N GLN 136.A O no hydrogen 2.892 N/A ASN 161.A N ASP 159.A OD1 no hydrogen 2.660 N/A ASP 162.A N ASP 159.A O no hydrogen 3.069 N/A LEU 164.A N ASP 162.A OD2 no hydrogen 2.841 N/A ALA 165.A N ASP 162.A O no hydrogen 2.943 N/A LYS 167.A N LEU 164.A O no hydrogen 3.187 N/A LEU 168.A N ALA 165.A O no hydrogen 2.901 N/A ASN 169.A N ASP 173.A OD2 no hydrogen 2.626 N/A ASN 169.A ND2 PRO 166.A O no hydrogen 3.554 N/A ASP 170.A N ASP 173.A OD2 no hydrogen 3.124 N/A ILE 171.A N ASP 170.A OD1 no hydrogen 2.698 N/A ASP 173.A N ASP 170.A O no hydrogen 2.906 N/A VAL 174.A N ILE 171.A O no hydrogen 2.968 N/A LYS 176.A N GLU 172.A O no hydrogen 3.249 N/A LYS 176.A NZ TYR 177.A OH no hydrogen 2.756 N/A TYR 177.A N ASP 173.A O no hydrogen 2.891 N/A PHE 178.A N VAL 174.A O no hydrogen 2.610 N/A GLY 180.A N GLU 175.A OE2 no hydrogen 3.410 N/A LEU 181.A N PHE 178.A O no hydrogen 3.057 N/A ALA 184.A N GLY 180.A O no hydrogen 2.885 N/A THR 185.A N LEU 181.A O no hydrogen 2.712 N/A THR 185.A OG1 HIS 91.A NE2 no hydrogen 2.675 N/A THR 185.A OG1 LEU 181.A O no hydrogen 2.715 N/A ASN 186.A N LEU 182.A O no hydrogen 2.988 N/A GLU 187.A N ARG 183.A O no hydrogen 3.052 N/A TRP 188.A N ALA 184.A O no hydrogen 2.854 N/A TRP 188.A NE1 GLY 88.A O no hydrogen 2.912 N/A PHE 189.A N THR 185.A O no hydrogen 3.256 N/A ARG 190.A N GLU 187.A O no hydrogen 3.080 N/A ARG 190.A NE ASN 186.A OD1 no hydrogen 2.691 N/A ARG 190.A NH1 GLU 200.A OE2 no hydrogen 2.704 N/A ARG 190.A NH2 ASN 186.A OD1 no hydrogen 3.494 N/A ILE 191.A N GLU 187.A O no hydrogen 3.025 N/A ILE 191.A N TRP 188.A O no hydrogen 3.254 N/A TYR 192.A N TRP 188.A O no hydrogen 2.878 N/A TYR 192.A OH ASP 147.A OD2 no hydrogen 3.222 N/A LYS 193.A NZ ASP 147.A OD1 no hydrogen 2.843 N/A LYS 193.A NZ ASP 147.A OD2 no hydrogen 3.059 N/A LYS 193.A NZ GLU 148.A OE2 no hydrogen 2.494 N/A ILE 194.A N ILE 191.A O no hydrogen 3.144 N/A ASP 196.A N LYS 193.A O no hydrogen 3.143 N/A GLY 197.A N ILE 194.A O no hydrogen 2.844 N/A LYS 198.A N LYS 193.A O no hydrogen 3.073 N/A LYS 198.A NZ GLU 148.A OE1 no hydrogen 3.376 N/A LYS 198.A NZ GLU 148.A OE2 no hydrogen 3.534 N/A ASN 201.A N ARG 190.A O no hydrogen 2.864 N/A ASN 201.A ND2 ASP 147.A OD1 no hydrogen 2.884 N/A ASN 201.A ND2 PHE 189.A O no hydrogen 3.114 N/A ALA 204.A N ALA 144.A O no hydrogen 3.020 N/A GLY 207.A N ALA 204.A O no hydrogen 2.869 N/A GLU 208.A N PHE 205.A O no hydrogen 2.875 N/A LYS 210.A N ILE 142.A O no hydrogen 2.735 N/A LYS 210.A NZ GLU 208.A OE1 no hydrogen 2.724 N/A LYS 212.A N ASP 170.A OD1 no hydrogen 2.969 N/A LYS 213.A NZ ASP 217.A OD1 no hydrogen 3.137 N/A TYR 214.A N ASN 211.A OD1 no hydrogen 3.047 N/A ALA 215.A N ASN 211.A O no hydrogen 2.907 N/A LEU 216.A N LYS 212.A O no hydrogen 2.826 N/A ASP 217.A N LYS 213.A O no hydrogen 2.940 N/A ILE 218.A N TYR 214.A O no hydrogen 3.103 N/A ILE 219.A N ALA 215.A O no hydrogen 2.913 N/A LYS 220.A N LEU 216.A O no hydrogen 2.886 N/A LYS 220.A NZ TYR 35.A OH no hydrogen 2.799 N/A GLU 221.A N ASP 217.A O no hydrogen 3.099 N/A THR 222.A N ILE 218.A O no hydrogen 3.024 N/A THR 222.A OG1 ILE 219.A O no hydrogen 2.872 N/A HIS 223.A N ILE 219.A O no hydrogen 3.057 N/A HIS 223.A N LYS 220.A O no hydrogen 3.138 N/A HIS 223.A ND1 GLN 98.A O no hydrogen 2.801 N/A ASP 224.A N LYS 220.A O no hydrogen 3.054 N/A SER 225.A N GLU 221.A O no hydrogen 3.027 N/A SER 225.A OG GLU 221.A O no hydrogen 3.226 N/A TRP 226.A N THR 222.A O no hydrogen 3.086 N/A LYS 227.A N HIS 223.A O no hydrogen 2.844 N/A GLN 228.A N ASP 224.A O no hydrogen 3.001 N/A LEU 229.A N SER 225.A O no hydrogen 3.014 N/A ILE 230.A N TRP 226.A O no hydrogen 2.781 N/A ALA 231.A N LYS 227.A O no hydrogen 3.154 N/A GLY 232.A N LEU 229.A O no hydrogen 2.893 N/A LYS 233.A N GLN 228.A O no hydrogen 2.850 N/A ASP 236.A N SER 234.A OG no hydrogen 2.914 N/A LYS 238.A N ASP 236.A OD1 no hydrogen 3.083 N/A ILE 240.A N SER 237.A O no hydrogen 3.118 N/A ASP 241.A N LYS 61.A O no hydrogen 2.743 N/A THR 243.A N ASP 241.A OD1 no hydrogen 3.046 N/A THR 243.A OG1 ASP 241.A OD1 no hydrogen 2.467 N/A ASN 244.A N THR 252.A O no hydrogen 3.222 N/A ASN 244.A ND2 LEU 242.A O no hydrogen 3.298 N/A ASN 244.A ND2 THR 250.A OG1 no hydrogen 2.860 N/A VAL 245.A N ASP 31.A OD1 no hydrogen 3.070 N/A VAL 245.A N ASP 31.A OD2 no hydrogen 2.891 N/A THR 246.A N ASP 31.A OD1 no hydrogen 2.952 N/A THR 246.A OG1 ASP 31.A OD1 no hydrogen 2.766 N/A LEU 247.A N ASN 244.A OD1 no hydrogen 2.912 N/A THR 250.A N LEU 247.A O no hydrogen 3.302 N/A THR 250.A OG1 LEU 247.A O no hydrogen 2.834 N/A THR 252.A OG1 LEU 242.A O no hydrogen 2.511 N/A TYR 253.A N THR 250.A O no hydrogen 3.403 N/A SER 254.A N ASN 244.A O no hydrogen 2.799 N/A ALA 257.A N SER 254.A O no hydrogen 2.989 N/A SER 258.A N LYS 255.A O no hydrogen 3.177 N/A SER 258.A OG PRO 25.A O no hydrogen 2.638 N/A ALA 260.A N ALA 256.A O no hydrogen 3.407 N/A ILE 261.A N SER 258.A O no hydrogen 3.080 N/A SER 265.A N GLN 6.A O no hydrogen 2.894 N/A LYS 267.A N GLY 8.A O no hydrogen 3.268 N/A ALA 270.A N LYS 10.A O no hydrogen 2.827 N/A LYS 274.A NZ ASP 277.A OD2 no hydrogen 2.863 N/A SER 275.A N ASP 273.A OD2 no hydrogen 3.082 N/A SER 275.A OG ASP 273.A OD2 no hydrogen 2.424 N/A ILE 276.A N ASP 273.A O no hydrogen 3.121 N/A ASP 277.A N LYS 274.A O no hydrogen 3.041 N/A LYS 278.A N SER 275.A O no hydrogen 3.262 N/A TRP 279.A NE1 HIS 86.A O no hydrogen 2.691 N/A PHE 280.A N ASN 82.A O no hydrogen 2.662 N/A