Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ipw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N GLY 43.A O no hydrogen 2.697 N/A PHE 6.A N GLY 43.A O no hydrogen 2.978 N/A ASP 8.A N HIS 46.A O no hydrogen 3.139 N/A GLY 10.A N ASP 8.A OD1 no hydrogen 3.202 N/A ALA 11.A N ILE 48.A O no hydrogen 2.958 N/A ASN 12.A N CYS 226.A O no hydrogen 2.802 N/A ASN 12.A ND2 ASP 225.A OD1.A no hydrogen 2.492 N/A ASN 12.A ND2 CYS 226.A O no hydrogen 3.504 N/A ASP 15.A N ASN 12.A O no hydrogen 2.985 N/A ASN 17.A N ASP 15.A OD2 no hydrogen 2.869 N/A TYR 18.A N ASP 15.A O no hydrogen 3.165 N/A TYR 18.A OH ASN 263.A O no hydrogen 2.663 N/A PHE 19.A N ASP 16.A O no hydrogen 2.913 N/A GLY 20.A N ASN 17.A O no hydrogen 3.076 N/A ASN 21.A N ASP 16.A O no hydrogen 3.043 N/A TYR 22.A N LYS 25.A O no hydrogen 3.051 N/A TYR 22.A OH HIS 28.A NE2 no hydrogen 2.768 N/A LYS 25.A N TYR 22.A O no hydrogen 3.459 N/A HIS 26.A ND1 ASN 21.A OD1 no hydrogen 2.862 N/A TYR 27.A N GLY 20.A O no hydrogen 2.680 N/A HIS 28.A ND1 GLU 29.A O no hydrogen 2.819 N/A HIS 28.A NE2 TYR 22.A OH no hydrogen 2.768 N/A ASP 31.A N TYR 18.A O no hydrogen 3.076 N/A VAL 34.A N ASP 33.A OD1 no hydrogen 2.720 N/A VAL 35.A N ASP 31.A O no hydrogen 3.071 N/A LEU 36.A N ILE 32.A O no hydrogen 2.795 N/A GLN 37.A N ASP 33.A O no hydrogen 2.903 N/A ARG 38.A N VAL 34.A O no hydrogen 2.897 N/A ARG 38.A NE GLU 264.A OE1 no hydrogen 2.901 N/A ARG 38.A NH1 ARG 255.A O no hydrogen 2.929 N/A ARG 38.A NH2 GLU 264.A OE1 no hydrogen 3.460 N/A ARG 38.A NH2 GLU 264.A OE2 no hydrogen 2.790 N/A ALA 39.A N VAL 35.A O no hydrogen 2.912 N/A GLU 40.A N LEU 36.A O no hydrogen 2.778 N/A ARG 41.A N GLN 37.A O no hydrogen 2.903 N/A ASN 42.A N ARG 38.A O no hydrogen 3.169 N/A ASN 42.A N ALA 39.A O no hydrogen 3.139 N/A ASN 42.A ND2 ARG 38.A O no hydrogen 3.000 N/A GLY 43.A N GLU 40.A O no hydrogen 2.940 N/A LEU 44.A N ALA 39.A O no hydrogen 3.068 N/A SER 45.A N PHE 6.A O no hydrogen 2.883 N/A SER 45.A OG PHE 6.A O no hydrogen 3.547 N/A SER 45.A OG HIS 46.A ND1 no hydrogen 2.585 N/A SER 45.A OG TYR 291.A OH no hydrogen 2.593 N/A HIS 46.A ND1 SER 45.A OG no hydrogen 2.585 N/A ILE 47.A N LYS 74.A O no hydrogen 2.967 N/A ILE 48.A N ASP 8.A O no hydrogen 2.863 N/A ILE 49.A N VAL 76.A O no hydrogen 2.683 N/A THR 50.A N ALA 11.A O no hydrogen 2.980 N/A SER 51.A N THR 78.A OG1 no hydrogen 3.115 N/A GLY 52.A N ASP 56.A OD2 no hydrogen 2.998 N/A LEU 54.A N TYR 94.A OH no hydrogen 2.862 N/A PHE 57.A N CYS 53.A O no hydrogen 2.929 N/A LYS 58.A N LEU 54.A O no hydrogen 2.938 N/A LYS 58.A NZ GLU 97.A OE2 no hydrogen 2.769 N/A LYS 59.A N ASN 55.A O no hydrogen 2.995 N/A ALA 60.A N ASP 56.A O no hydrogen 2.760 N/A ILE 61.A N PHE 57.A O no hydrogen 2.934 N/A GLU 62.A N LYS 58.A O no hydrogen 2.911 N/A ILE 63.A N LYS 59.A O no hydrogen 2.929 N/A ILE 64.A N ALA 60.A O no hydrogen 3.018 N/A ASN 65.A N ILE 61.A O no hydrogen 2.917 N/A LYS 66.A N GLU 62.A O no hydrogen 2.911 N/A LYS 66.A NZ GLU 30.A OE2 no hydrogen 3.007 N/A TYR 67.A N ILE 63.A O no hydrogen 2.789 N/A TYR 67.A OH GLU 30.A OE2 no hydrogen 2.465 N/A GLN 68.A N ILE 64.A O no hydrogen 2.947 N/A GLN 68.A NE2 GLN 68.A O no hydrogen 2.967 N/A GLN 68.A NE2 THR 71.A O no hydrogen 3.264 N/A GLN 68.A NE2 ILE 73.A O no hydrogen 2.882 N/A LEU 70.A N TYR 67.A O no hydrogen 2.810 N/A THR 71.A N GLN 68.A O no hydrogen 3.476 N/A THR 71.A OG1 GLU 40.A OE2 no hydrogen 2.827 N/A ASN 72.A N GLU 40.A OE2 no hydrogen 2.858 N/A ILE 73.A N THR 71.A OG1 no hydrogen 3.022 N/A LYS 74.A N SER 45.A O no hydrogen 2.914 N/A LEU 75.A N GLN 68.A OE1 no hydrogen 2.913 N/A VAL 76.A N ILE 47.A O no hydrogen 3.174 N/A THR 77.A N LYS 108.A O no hydrogen 2.790 N/A THR 77.A OG1 ILE 49.A O no hydrogen 2.569 N/A THR 78.A N THR 77.A OG1 no hydrogen 2.680 N/A THR 78.A OG1 SER 51.A O no hydrogen 3.238 N/A THR 78.A OG1 GLY 113.A O no hydrogen 2.781 N/A ILE 79.A N ALA 111.A O no hydrogen 2.839 N/A HIS 82.A N GLY 52.A O no hydrogen 2.808 N/A THR 84.A N HIS 82.A ND1 no hydrogen 3.254 N/A THR 84.A OG1 HIS 82.A ND1 no hydrogen 2.839 N/A ARG 85.A N HIS 82.A O no hydrogen 2.897 N/A ARG 85.A NH1 GLU 88.A OE2 no hydrogen 3.247 N/A THR 86.A N PRO 83.A O no hydrogen 3.363 N/A THR 86.A OG1 PRO 83.A O no hydrogen 2.603 N/A ASN 87.A N SER 125.A OG no hydrogen 2.984 N/A GLU 88.A N ARG 85.A O no hydrogen 3.007 N/A LEU 89.A N THR 86.A O no hydrogen 3.004 N/A LYS 90.A N ASN 87.A O no hydrogen 3.116 N/A GLN 91.A N GLU 88.A O no hydrogen 3.318 N/A TYR 94.A N GLN 91.A O no hydrogen 3.183 N/A TYR 94.A OH GLU 88.A OE1 no hydrogen 2.545 N/A GLU 97.A N GLY 93.A O no hydrogen 2.950 N/A LEU 98.A N TYR 94.A O no hydrogen 3.029 N/A LEU 99.A N LEU 95.A O no hydrogen 2.847 N/A LEU 100.A N ASP 96.A O no hydrogen 2.914 N/A LEU 101.A N GLU 97.A O no hydrogen 3.017 N/A CYS 102.A N LEU 98.A O no hydrogen 2.984 N/A CYS 102.A SG TYR 144.A OH no hydrogen 3.886 N/A GLU 103.A N LEU 99.A O no hydrogen 3.007 N/A LYS 104.A N LEU 100.A O no hydrogen 2.987 N/A ASN 105.A N CYS 102.A O no hydrogen 3.044 N/A ASN 105.A ND2 LEU 101.A O no hydrogen 2.853 N/A ILE 106.A N GLU 103.A O no hydrogen 3.451 N/A LYS 108.A N ASN 105.A O no hydrogen 2.829 N/A LYS 108.A NZ ASN 65.A OD1 no hydrogen 3.015 N/A LYS 108.A NZ ASN 105.A OD1 no hydrogen 2.777 N/A VAL 109.A N ILE 106.A O no hydrogen 3.119 N/A VAL 110.A N THR 77.A O no hydrogen 3.050 N/A ILE 112.A N PRO 148.A O no hydrogen 2.984 N/A GLY 113.A N ILE 79.A O no hydrogen 2.782 N/A GLU 114.A N SER 51.A O no hydrogen 2.985 N/A ILE 115.A N PHE 150.A O no hydrogen 3.243 N/A LEU 117.A N HIS 152.A O no hydrogen 3.163 N/A ASP 118.A N GLN 130.A OE1 no hydrogen 2.743 N/A TYR 119.A N ARG 154.A O no hydrogen 2.914 N/A TYR 119.A OH ASP 159.A OD2 no hydrogen 2.639 N/A GLU 120.A N ASP 118.A OD1 no hydrogen 2.962 N/A ARG 121.A N ASP 118.A O no hydrogen 3.378 N/A SER 125.A OG THR 84.A O no hydrogen 2.766 N/A SER 125.A OG ASN 87.A OD1 no hydrogen 3.072 N/A THR 129.A N ASP 126.A OD1 no hydrogen 2.798 N/A THR 129.A OG1 ASP 126.A OD1 no hydrogen 2.843 N/A GLN 130.A N ASP 126.A O no hydrogen 2.906 N/A GLN 130.A NE2 ASP 118.A O no hydrogen 3.051 N/A GLN 130.A NE2 SER 125.A O no hydrogen 3.096 N/A LEU 131.A N LYS 127.A O no hydrogen 2.935 N/A SER 132.A N GLU 128.A O no hydrogen 2.954 N/A GLY 133.A N THR 129.A O no hydrogen 2.803 N/A TYR 134.A N GLN 130.A O no hydrogen 3.022 N/A TYR 134.A OH ASN 164.A OD1 no hydrogen 2.623 N/A ARG 135.A N LEU 131.A O no hydrogen 3.176 N/A ARG 135.A NE GLU 166.A OE2.B no hydrogen 2.698 N/A ARG 135.A NH2 GLU 166.A OE1.B no hydrogen 3.149 N/A THR 136.A N SER 132.A O no hydrogen 2.959 N/A THR 136.A OG1 SER 132.A O no hydrogen 3.208 N/A LEU 137.A N GLY 133.A O no hydrogen 2.842 N/A SER 138.A N ARG 135.A O no hydrogen 3.145 N/A SER 138.A OG ARG 135.A O no hydrogen 2.641 N/A ILE 139.A N THR 136.A O no hydrogen 3.429 N/A LEU 140.A N LEU 137.A O no hydrogen 3.089 N/A GLN 142.A N SER 138.A O no hydrogen 3.037 N/A LYS 143.A N ILE 139.A O no hydrogen 2.845 N/A LYS 143.A NZ TYR 144.A OH no hydrogen 3.065 N/A TYR 144.A N LEU 140.A O no hydrogen 2.892 N/A LEU 147.A N TYR 144.A O no hydrogen 3.069 N/A PHE 149.A N LYS 173.A O no hydrogen 2.930 N/A PHE 150.A N ILE 112.A O no hydrogen 2.898 N/A PHE 151.A N VAL 175.A O no hydrogen 2.907 N/A HIS 152.A N ILE 115.A O no hydrogen 2.671 N/A HIS 152.A ND1 GLU 114.A OE2 no hydrogen 2.721 N/A HIS 152.A NE2 ASP 118.A OD2 no hydrogen 2.750 N/A CYS 153.A SG SER 156.A OG no hydrogen 3.555 N/A ARG 154.A N LEU 117.A O no hydrogen 3.204 N/A ARG 154.A NH1 CYS 153.A O no hydrogen 3.121 N/A ARG 154.A NH1 CYS 178.A O no hydrogen 2.985 N/A ARG 154.A NH2 CYS 178.A O no hydrogen 3.141 N/A SER 156.A OG LEU 117.A O no hydrogen 2.828 N/A SER 156.A OG ARG 154.A O no hydrogen 3.309 N/A TRP 157.A NE1 GLN 188.A OE1 no hydrogen 2.924 N/A LEU 160.A N SER 156.A O no hydrogen 2.885 N/A CYS 161.A N.A TRP 157.A O no hydrogen 2.802 N/A CYS 161.A N.B TRP 157.A O no hydrogen 2.835 N/A CYS 161.A SG.B TRP 157.A O no hydrogen 3.621 N/A CYS 161.A SG.B SER 158.A O no hydrogen 3.258 N/A GLN 162.A N SER 158.A O no hydrogen 3.325 N/A GLN 162.A NE2 SER 158.A O no hydrogen 3.237 N/A LEU 163.A N ASP 159.A O no hydrogen 3.006 N/A ASN 164.A N LEU 160.A O no hydrogen 2.893 N/A LYS 165.A N CYS 161.A O.A no hydrogen 3.161 N/A LYS 165.A N CYS 161.A O.B no hydrogen 3.118 N/A GLU 166.A N GLN 162.A O no hydrogen 2.936 N/A LEU 167.A N LEU 163.A O no hydrogen 2.835 N/A GLY 168.A N LYS 165.A O no hydrogen 3.151 N/A TYR 169.A N ASN 164.A O no hydrogen 2.889 N/A ASN 170.A ND2 GLU 192.A OE1 no hydrogen 2.817 N/A CYS 172.A N TYR 169.A O no hydrogen 2.889 N/A LYS 173.A NZ ASN 296.A O no hydrogen 2.825 N/A VAL 175.A N PHE 149.A O no hydrogen 3.023 N/A VAL 176.A N ASP 195.A O no hydrogen 2.818 N/A HIS 177.A N PHE 151.A O no hydrogen 3.043 N/A HIS 177.A ND1 GLU 223.A OE1 no hydrogen 2.735 N/A HIS 177.A NE2 GLU 114.A OE2 no hydrogen 2.652 N/A CYS 178.A N GLU 223.A OE2 no hydrogen 2.824 N/A CYS 178.A SG THR 199.A OG1.A no hydrogen 3.208 N/A CYS 178.A SG ASP 225.A OD2.B no hydrogen 3.472 N/A PHE 179.A N GLY 197.A O no hydrogen 2.906 N/A THR 182.A N GLU 185.A OE1 no hydrogen 3.029 N/A GLU 185.A N THR 182.A OG1 no hydrogen 3.013 N/A MET 186.A N THR 182.A O no hydrogen 2.867 N/A ASN 187.A N GLU 183.A O no hydrogen 2.882 N/A GLN 188.A N GLU 184.A O no hydrogen 2.965 N/A ILE 189.A N GLU 185.A O no hydrogen 2.839 N/A LEU 190.A N MET 186.A O no hydrogen 3.072 N/A ASN 191.A N.A ASN 187.A O no hydrogen 2.885 N/A ASN 191.A N.B ASN 187.A O no hydrogen 2.901 N/A GLU 192.A N GLN 188.A O no hydrogen 3.065 N/A GLU 192.A N ILE 189.A O no hydrogen 3.095 N/A GLY 193.A N LEU 190.A O no hydrogen 2.985 N/A TRP 194.A N ILE 189.A O no hydrogen 3.324 N/A ASP 195.A N GLY 174.A O no hydrogen 2.884 N/A ILE 196.A N ARG 219.A O no hydrogen 2.990 N/A GLY 197.A N VAL 176.A O no hydrogen 2.846 N/A VAL 198.A N HIS 221.A O no hydrogen 2.825 N/A THR 199.A N.A SER 202.A OG no hydrogen 3.064 N/A THR 199.A N.B SER 202.A OG no hydrogen 3.058 N/A THR 199.A OG1.B GLU 223.A O no hydrogen 3.335 N/A THR 199.A OG1.B THR 224.A O no hydrogen 3.173 N/A GLY 200.A N THR 199.A OG1.B no hydrogen 2.776 N/A ASN 201.A ND2.B ASP 180.A OD2 no hydrogen 3.218 N/A SER 202.A N THR 199.A O.A no hydrogen 3.074 N/A SER 202.A N THR 199.A O.B no hydrogen 2.870 N/A SER 202.A OG PHE 179.A O no hydrogen 2.613 N/A SER 202.A OG THR 199.A O.A no hydrogen 3.417 N/A SER 202.A OG THR 199.A O.B no hydrogen 3.295 N/A LEU 203.A N GLY 200.A O no hydrogen 3.039 N/A GLU 207.A N GLU 207.A OE1 no hydrogen 2.677 N/A LEU 208.A N SER 205.A OG no hydrogen 3.078 N/A LEU 209.A N SER 205.A O no hydrogen 2.916 N/A ASN 210.A N ILE 206.A O no hydrogen 3.073 N/A ASN 210.A ND2 ILE 206.A O no hydrogen 2.900 N/A VAL 211.A N GLU 207.A O no hydrogen 3.287 N/A VAL 211.A N LEU 208.A O no hydrogen 3.053 N/A MET 212.A N LEU 208.A O no hydrogen 2.838 N/A LYS 213.A N LEU 209.A O no hydrogen 3.030 N/A GLN 214.A N VAL 211.A O no hydrogen 2.904 N/A ILE 215.A N MET 212.A O no hydrogen 3.058 N/A GLU 218.A N GLU 218.A OE1 no hydrogen 2.903 N/A ARG 219.A N PRO 216.A O no hydrogen 2.889 N/A ARG 219.A NE ASP 195.A OD1 no hydrogen 2.863 N/A ARG 219.A NH2 LEU 190.A O no hydrogen 2.875 N/A ARG 219.A NH2 TRP 194.A O no hydrogen 2.808 N/A HIS 221.A N ILE 196.A O no hydrogen 3.075 N/A HIS 221.A ND1 SER 294.A OG no hydrogen 2.842 N/A HIS 221.A NE2 ASP 195.A OD2 no hydrogen 2.735 N/A GLU 223.A N VAL 198.A O no hydrogen 3.181 N/A THR 224.A N ASP 8.A OD1 no hydrogen 2.908 N/A THR 224.A OG1 ASP 8.A OD1 no hydrogen 3.558 N/A THR 224.A OG1 ASP 8.A OD2 no hydrogen 2.535 N/A ASP 225.A N GLY 10.A O no hydrogen 2.703 N/A CYS 226.A SG TYR 18.A OH no hydrogen 3.204 N/A CYS 226.A SG THR 224.A OG1 no hydrogen 3.120 N/A CYS 229.A SG ASN 201.A OD1.A no hydrogen 3.106 N/A CYS 229.A SG ASP 225.A OD2.A no hydrogen 2.896 N/A SER 235.A N LYS 232.A O no hydrogen 2.899 N/A SER 235.A OG LEU 203.A O no hydrogen 3.073 N/A ALA 236.A N GLN 204.A O no hydrogen 2.823 N/A GLY 237.A N LEU 203.A O no hydrogen 3.013 N/A PHE 238.A N SER 235.A O no hydrogen 3.084 N/A LYS 239.A N ALA 236.A O no hydrogen 3.292 N/A TYR 240.A N GLY 237.A O no hydrogen 2.895 N/A LEU 241.A N PHE 238.A O no hydrogen 3.044 N/A LYS 244.A NZ ASP 270.A OD2 no hydrogen 2.710 N/A GLY 247.A N ASP 245.A OD1 no hydrogen 2.641 N/A VAL 248.A N TYR 258.A O no hydrogen 2.945 N/A GLU 251.A N GLU 251.A OE1 no hydrogen 2.758 N/A LYS 252.A N LYS 249.A O no hydrogen 2.854 N/A TYR 253.A OH ASP 31.A OD2 no hydrogen 2.670 N/A ARG 255.A NH2 ASP 33.A OD2 no hydrogen 3.197 N/A ARG 255.A NH2 GLN 37.A OE1 no hydrogen 3.240 N/A LYS 257.A N GLN 254.A O no hydrogen 2.982 N/A TYR 258.A OH SER 266.A OG no hydrogen 2.658 N/A GLN 260.A N VAL 248.A O no hydrogen 2.878 N/A ARG 262.A N VAL 259.A O no hydrogen 3.029 N/A ARG 262.A NH1 ASN 17.A O no hydrogen 2.983 N/A ARG 262.A NH1 ASP 31.A OD1 no hydrogen 2.818 N/A ARG 262.A NH1 ASP 31.A OD2 no hydrogen 3.264 N/A ARG 262.A NH2 ASP 31.A OD1 no hydrogen 3.543 N/A ARG 262.A NH2 ASP 31.A OD2 no hydrogen 2.762 N/A ARG 262.A NH2 GLU 264.A OE2 no hydrogen 3.106 N/A ASN 263.A N PRO 227.A O no hydrogen 3.082 N/A ASN 263.A ND2 THR 224.A O no hydrogen 3.265 N/A ASN 263.A ND2 TYR 228.A O no hydrogen 3.337 N/A GLU 264.A N ASN 267.A OD1 no hydrogen 2.801 N/A SER 266.A OG TYR 258.A OH no hydrogen 2.658 N/A ASN 267.A N GLU 264.A O no hydrogen 2.847 N/A ILE 268.A N PRO 265.A O no hydrogen 3.044 N/A ILE 269.A N SER 266.A O no hydrogen 3.458 N/A ASP 270.A N ASN 267.A O no hydrogen 3.055 N/A ALA 272.A N ILE 268.A O no hydrogen 3.236 N/A ILE 273.A N ILE 269.A O no hydrogen 2.926 N/A ILE 274.A N ASP 270.A O no hydrogen 3.093 N/A MET 275.A N ILE 271.A O no hydrogen 2.956 N/A SER 276.A N ALA 272.A O no hydrogen 3.024 N/A SER 276.A OG ALA 272.A O no hydrogen 2.888 N/A SER 276.A OG ILE 273.A O no hydrogen 3.083 N/A SER 277.A N ILE 273.A O no hydrogen 2.978 N/A SER 277.A OG ILE 273.A O no hydrogen 2.913 N/A ILE 278.A N ILE 274.A O no hydrogen 2.912 N/A LYS 279.A N MET 275.A O no hydrogen 2.922 N/A LYS 279.A NZ LYS 213.A O no hydrogen 2.801 N/A LYS 279.A NZ ILE 215.A O no hydrogen 2.658 N/A HIS 280.A N SER 277.A O no hydrogen 3.271 N/A ILE 281.A N SER 276.A O no hydrogen 2.989 N/A PHE 286.A N SER 282.A O no hydrogen 2.803 N/A VAL 287.A N LEU 283.A O no hydrogen 2.785 N/A ASN 288.A N PHE 284.A O no hydrogen 2.989 N/A ASN 288.A ND2 PHE 284.A O no hydrogen 2.548 N/A LYS 289.A N GLU 285.A O no hydrogen 3.029 N/A VAL 290.A N PHE 286.A O no hydrogen 3.031 N/A TYR 291.A N VAL 287.A O no hydrogen 2.989 N/A TYR 291.A OH SER 45.A OG no hydrogen 2.593 N/A SER 292.A N ASN 288.A O no hydrogen 3.088 N/A ASN 293.A N LYS 289.A O no hydrogen 2.822 N/A ASN 293.A ND2 ILE 217.A O no hydrogen 2.682 N/A ASN 293.A ND2 LEU 220.A O no hydrogen 2.868 N/A SER 294.A N VAL 290.A O no hydrogen 3.004 N/A SER 294.A OG HIS 221.A ND1 no hydrogen 2.842 N/A SER 294.A OG VAL 290.A O no hydrogen 3.484 N/A MET 295.A N TYR 291.A O no hydrogen 2.886 N/A ASN 296.A N SER 292.A O no hydrogen 2.903 N/A MET 297.A N ASN 293.A O no hydrogen 2.973 N/A TYR 298.A N SER 294.A O no hydrogen 2.939 N/A TYR 298.A OH PHE 149.A O no hydrogen 2.895 N/A PHE 299.A N MET 295.A O no hydrogen 2.742 N/A