Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2xwp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ GLN 71.A O no hydrogen 2.638 N/A ALA 3.A N ASP 75.A O no hydrogen 2.820 N/A LEU 4.A N ASP 36.A O no hydrogen 2.814 N/A LEU 5.A N ALA 77.A O no hydrogen 2.811 N/A VAL 6.A N PHE 38.A O no hydrogen 2.934 N/A VAL 7.A N GLN 79.A O no hydrogen 2.951 N/A SER 8.A N ALA 40.A O no hydrogen 2.985 N/A TYR 13.A N THR 11.A OG1 no hydrogen 3.364 N/A THR 16.A OG1 ALA 203.A O no hydrogen 3.349 N/A CYS 17.A N TYR 13.A O no hydrogen 3.157 N/A GLU 18.A N HIS 14.A O no hydrogen 2.979 N/A LYS 19.A N ASP 15.A O no hydrogen 3.047 N/A LYS 19.A NZ ASP 15.A OD2 no hydrogen 2.619 N/A ASN 20.A N CYS 17.A O no hydrogen 3.337 N/A ASN 20.A ND2 THR 16.A O no hydrogen 2.984 N/A ASN 20.A ND2 GLU 239.A OE2 no hydrogen 3.103 N/A VAL 22.A N CYS 17.A O no hydrogen 3.036 N/A CYS 24.A N ASN 20.A O no hydrogen 3.023 N/A CYS 24.A SG ASN 20.A O no hydrogen 3.275 N/A GLU 25.A N ILE 21.A O no hydrogen 2.851 N/A ARG 26.A N VAL 22.A O no hydrogen 2.802 N/A ASP 27.A N ALA 23.A O no hydrogen 3.269 N/A LEU 28.A N CYS 24.A O no hydrogen 2.979 N/A ALA 29.A N GLU 25.A O no hydrogen 2.789 N/A ALA 30.A N ARG 26.A O no hydrogen 3.026 N/A SER 31.A N ASP 27.A O no hydrogen 3.219 N/A SER 31.A N LEU 28.A O no hydrogen 3.025 N/A SER 31.A OG LEU 28.A O no hydrogen 2.810 N/A SER 31.A OG HIS 252.A NE2 no hydrogen 2.553 N/A CYS 32.A N ALA 29.A O no hydrogen 3.055 N/A CYS 32.A SG HIS 252.A NE2 no hydrogen 3.667 N/A ARG 35.A N CYS 32.A O no hydrogen 2.890 N/A ARG 35.A NH1 ALA 3.A O no hydrogen 3.055 N/A ARG 35.A NH1 ASP 75.A OD1 no hydrogen 2.916 N/A ARG 35.A NH2 ASP 75.A OD1 no hydrogen 3.191 N/A ARG 35.A NH2 ASP 75.A OD2 no hydrogen 3.522 N/A ASP 36.A N LYS 2.A O no hydrogen 2.993 N/A PHE 38.A N LEU 4.A O no hydrogen 2.823 N/A ARG 39.A NE GLU 25.A OE2 no hydrogen 2.699 N/A ARG 39.A NH2 GLU 25.A OE1 no hydrogen 2.736 N/A ARG 39.A NH2 GLU 25.A OE2 no hydrogen 3.244 N/A ALA 40.A N VAL 6.A O no hydrogen 3.110 N/A PHE 41.A N ASP 59.A O no hydrogen 3.085 N/A THR 42.A N SER 8.A O no hydrogen 2.868 N/A THR 42.A OG1 GLU 88.A OE1 no hydrogen 2.793 N/A SER 43.A N PHE 9.A O no hydrogen 3.115 N/A ILE 46.A N SER 43.A OG no hydrogen 3.184 N/A ILE 47.A N SER 43.A O no hydrogen 3.075 N/A ARG 48.A N GLY 44.A O no hydrogen 2.862 N/A LYS 49.A N MET 45.A O no hydrogen 3.024 N/A LEU 50.A N ILE 46.A O no hydrogen 2.960 N/A ARG 51.A N ILE 47.A O no hydrogen 3.055 N/A GLN 52.A N ARG 48.A O no hydrogen 2.921 N/A ARG 53.A N LYS 49.A O no hydrogen 2.852 N/A ARG 53.A NE ASP 54.A OD1 no hydrogen 3.077 N/A ARG 53.A NE ASP 54.A OD2 no hydrogen 3.306 N/A ARG 53.A NH2 SER 12.A O no hydrogen 2.961 N/A ARG 53.A NH2 ASP 54.A OD2 no hydrogen 2.779 N/A ASP 54.A N LEU 50.A O no hydrogen 3.049 N/A GLY 55.A N ARG 51.A O no hydrogen 2.873 N/A ILE 56.A N LEU 50.A O no hydrogen 3.061 N/A THR 60.A N GLN 63.A OE1 no hydrogen 2.969 N/A LEU 62.A N GLU 95.A OE1 no hydrogen 3.199 N/A GLN 63.A N THR 60.A OG1 no hydrogen 3.127 N/A ALA 64.A N THR 60.A O no hydrogen 2.961 N/A LEU 65.A N PRO 61.A O no hydrogen 2.963 N/A GLN 66.A N LEU 62.A O no hydrogen 2.901 N/A LYS 67.A N GLN 63.A O no hydrogen 2.985 N/A LYS 67.A NZ.A ASP 59.A OD1 no hydrogen 2.685 N/A LYS 67.A NZ.B ASP 59.A OD2 no hydrogen 2.794 N/A LEU 68.A N ALA 64.A O no hydrogen 2.886 N/A ALA 69.A N LEU 65.A O no hydrogen 2.903 N/A ALA 70.A N GLN 66.A O no hydrogen 2.924 N/A GLN 71.A N LYS 67.A O no hydrogen 2.914 N/A GLY 72.A N ALA 69.A O no hydrogen 3.255 N/A TYR 73.A N LEU 68.A O no hydrogen 3.062 N/A TYR 73.A OH ASP 36.A OD2 no hydrogen 2.591 N/A GLN 74.A N LYS 1.A O no hydrogen 3.198 N/A ASP 75.A N LYS 1.A O no hydrogen 3.322 N/A VAL 76.A N ARG 105.A O no hydrogen 2.927 N/A ALA 77.A N ALA 3.A O no hydrogen 2.938 N/A ILE 78.A N THR 107.A O no hydrogen 2.938 N/A GLN 79.A N LEU 5.A O no hydrogen 2.971 N/A GLN 79.A NE2 SER 80.A O no hydrogen 2.731 N/A GLN 79.A NE2 VAL 110.A O no hydrogen 2.964 N/A SER 80.A N GLY 109.A O no hydrogen 3.457 N/A LEU 81.A N VAL 7.A O no hydrogen 2.908 N/A HIS 82.A N SER 80.A OG no hydrogen 3.069 N/A ASN 85.A ND2 LEU 113.A O no hydrogen 3.107 N/A ASN 85.A ND2 SER 114.A OG no hydrogen 2.900 N/A GLU 90.A N GLY 86.A O no hydrogen 2.980 N/A LYS 91.A N ASP 87.A O no hydrogen 2.958 N/A LYS 91.A NZ THR 42.A O no hydrogen 2.809 N/A VAL 93.A N TYR 89.A O no hydrogen 2.954 N/A ARG 94.A N GLU 90.A O no hydrogen 2.908 N/A GLU 95.A N LYS 91.A O no hydrogen 3.011 N/A VAL 96.A N ILE 92.A O no hydrogen 2.853 N/A GLN 97.A N VAL 93.A O no hydrogen 2.850 N/A LEU 98.A N ARG 94.A O no hydrogen 3.042 N/A LEU 99.A N GLU 95.A O no hydrogen 3.178 N/A ARG 100.A N VAL 96.A O no hydrogen 2.738 N/A LEU 102.A N LEU 99.A O no hydrogen 2.782 N/A PHE 103.A N ARG 100.A O no hydrogen 3.071 N/A THR 104.A OG1 GLN 74.A OE1 no hydrogen 2.765 N/A ARG 105.A N GLN 74.A O no hydrogen 2.841 N/A ARG 105.A NH2 LEU 255.A O no hydrogen 3.207 N/A THR 107.A N VAL 76.A O no hydrogen 2.983 N/A GLY 109.A N ILE 78.A O no hydrogen 2.849 N/A LEU 112.A N HIS 82.A O no hydrogen 2.902 N/A LEU 113.A N ILE 83.A O no hydrogen 2.844 N/A SER 114.A N ASP 118.A OD2 no hydrogen 3.116 N/A SER 114.A OG PRO 111.A O no hydrogen 2.973 N/A SER 115.A N ASP 118.A OD2 no hydrogen 2.936 N/A ASP 118.A N SER 115.A OG no hydrogen 3.309 N/A TYR 119.A N HIS 116.A O no hydrogen 3.171 N/A GLN 121.A N ASN 117.A O no hydrogen 2.765 N/A GLN 121.A NE2 GLN 124.A OE1 no hydrogen 3.453 N/A LEU 122.A N ASP 118.A O no hydrogen 2.764 N/A MET 123.A N TYR 119.A O no hydrogen 2.942 N/A GLN 124.A N VAL 120.A O no hydrogen 3.229 N/A ALA 125.A N GLN 121.A O no hydrogen 2.834 N/A LEU 126.A N LEU 122.A O no hydrogen 2.727 N/A ARG 127.A N MET 123.A O no hydrogen 3.100 N/A GLN 128.A N ALA 125.A O no hydrogen 3.087 N/A GLN 129.A N LEU 126.A O no hydrogen 2.929 N/A MET 130.A N ARG 127.A O no hydrogen 3.276 N/A ARG 134.A NE.A GLN 135.A OE1.B no hydrogen 2.215 N/A GLU 137.A N ARG 134.A O no hydrogen 2.927 N/A LYS 138.A N GLY 193.A O no hydrogen 3.372 N/A LYS 138.A NZ GLU 189.A OE1 no hydrogen 3.434 N/A VAL 139.A N PRO 167.A O no hydrogen 3.076 N/A VAL 140.A N HIS 195.A O no hydrogen 2.750 N/A PHE 141.A N ARG 169.A O no hydrogen 2.789 N/A MET 142.A N MET 197.A O no hydrogen 2.917 N/A GLY 143.A N GLY 171.A O no hydrogen 2.755 N/A HIS 144.A ND1.B GLY 145.A O no hydrogen 2.984 N/A GLY 145.A N TYR 154.A OH no hydrogen 3.408 N/A ALA 146.A N SER 175.A OG no hydrogen 3.186 N/A ALA 150.A N HIS 148.A ND1 no hydrogen 2.968 N/A PHE 151.A N HIS 148.A O no hydrogen 2.964 N/A ALA 152.A N HIS 149.A O no hydrogen 3.205 N/A ALA 153.A N ALA 150.A O no hydrogen 2.972 N/A TYR 154.A N PHE 151.A O no hydrogen 3.264 N/A CYS 156.A N ALA 152.A O no hydrogen 3.061 N/A LEU 157.A N ALA 153.A O no hydrogen 3.099 N/A ASP 158.A N TYR 154.A O no hydrogen 2.991 N/A HIS 159.A N ALA 155.A O no hydrogen 2.814 N/A MET 160.A N CYS 156.A O no hydrogen 2.922 N/A MET 161.A N LEU 157.A O no hydrogen 2.974 N/A THR 162.A N ASP 158.A O no hydrogen 3.088 N/A THR 162.A OG1 ASP 158.A O no hydrogen 3.393 N/A ALA 163.A N HIS 159.A O no hydrogen 2.853 N/A GLN 164.A N MET 160.A O no hydrogen 3.184 N/A ARG 165.A N THR 162.A O no hydrogen 3.147 N/A PHE 166.A N MET 161.A O no hydrogen 2.944 N/A ARG 169.A N VAL 139.A O no hydrogen 2.910 N/A ARG 169.A NE ASP 158.A OD1 no hydrogen 2.802 N/A ARG 169.A NE ASP 158.A OD2 no hydrogen 3.193 N/A ARG 169.A NH1 SER 185.A OG no hydrogen 2.740 N/A ARG 169.A NH1 GLU 189.A OE2 no hydrogen 3.299 N/A ARG 169.A NH2 ASP 158.A OD2 no hydrogen 2.905 N/A VAL 170.A N ASP 158.A OD1 no hydrogen 2.765 N/A GLY 171.A N PHE 141.A O no hydrogen 3.029 N/A ALA 172.A N PRO 177.A O no hydrogen 2.894 N/A VAL 173.A N GLY 143.A O no hydrogen 2.932 N/A GLU 174.A N HIS 144.A O no hydrogen 3.033 N/A ILE 181.A N GLU 178.A O no hydrogen 3.069 N/A ILE 183.A N VAL 179.A O no hydrogen 2.820 N/A ASP 184.A N ASP 180.A O no hydrogen 2.856 N/A SER 185.A N ILE 181.A O no hydrogen 3.034 N/A LEU 186.A N LEU 182.A O no hydrogen 2.830 N/A ARG 187.A N ILE 183.A O no hydrogen 2.867 N/A ASP 188.A N ASP 184.A O no hydrogen 3.238 N/A GLU 189.A N LEU 186.A O no hydrogen 3.055 N/A GLY 190.A N ARG 187.A O no hydrogen 2.971 N/A VAL 191.A N LEU 186.A O no hydrogen 3.081 N/A THR 192.A N THR 136.A O no hydrogen 2.784 N/A VAL 194.A N PRO 229.A O no hydrogen 2.982 N/A HIS 195.A N LYS 138.A O no hydrogen 2.968 N/A LEU 196.A N THR 231.A O no hydrogen 2.953 N/A MET 197.A N VAL 140.A O no hydrogen 2.905 N/A LEU 199.A N MET 142.A O no hydrogen 2.770 N/A ALA 203.A N THR 16.A OG1 no hydrogen 3.053 N/A ILE 208.A N GLY 204.A O no hydrogen 2.948 N/A ASN 209.A N ASP 205.A O no hydrogen 2.724 N/A ASN 209.A ND2.B HIS 206.A O no hydrogen 3.589 N/A ASP 210.A N HIS 206.A O no hydrogen 2.885 N/A MET 211.A N ALA 207.A O no hydrogen 2.942 N/A SER 213.A N ASN 209.A O no hydrogen 3.314 N/A SER 213.A OG ASN 209.A O no hydrogen 3.108 N/A SER 213.A OG ASN 209.A OD1.B no hydrogen 3.405 N/A ASP 215.A N SER 213.A OG no hydrogen 3.062 N/A ASP 217.A N ASP 215.A OD2 no hydrogen 2.834 N/A SER 218.A N ASP 215.A O no hydrogen 2.761 N/A SER 218.A OG SER 213.A O no hydrogen 2.860 N/A SER 218.A OG ASP 215.A O no hydrogen 3.245 N/A TRP 219.A N ASP 210.A O no hydrogen 2.900 N/A LYS 220.A N MET 211.A O no hydrogen 2.970 N/A LYS 220.A NZ ALA 212.A O no hydrogen 2.536 N/A LYS 220.A NZ SER 213.A O no hydrogen 3.176 N/A LYS 220.A NZ ASP 214.A OD1.A no hydrogen 3.026 N/A MET 221.A N SER 218.A OG no hydrogen 3.049 N/A ARG 222.A N SER 218.A O no hydrogen 3.032 N/A ARG 222.A NE ASP 180.A OD1 no hydrogen 2.741 N/A ARG 222.A NH1 ASP 217.A OD1 no hydrogen 2.913 N/A ARG 222.A NH2 ASP 180.A OD1 no hydrogen 3.192 N/A ARG 222.A NH2 ASP 180.A OD2 no hydrogen 2.786 N/A PHE 223.A N TRP 219.A O no hydrogen 2.980 N/A ASN 224.A N LYS 220.A O no hydrogen 2.860 N/A ALA 225.A N MET 221.A O no hydrogen 2.782 N/A ALA 226.A N ARG 222.A O no hydrogen 3.214 N/A ALA 226.A N PHE 223.A O no hydrogen 3.147 N/A GLY 227.A N ASN 224.A O no hydrogen 2.896 N/A ILE 228.A N PHE 223.A O no hydrogen 3.018 N/A ALA 230.A N ASN 224.A OD1 no hydrogen 3.022 N/A THR 231.A N VAL 194.A O no hydrogen 2.951 N/A TRP 233.A N LEU 196.A O no hydrogen 2.878 N/A TRP 233.A NE1 HIS 195.A ND1 no hydrogen 2.904 N/A SER 235.A OG GLU 239.A OE1 no hydrogen 2.948 N/A GLY 236.A N GLU 239.A OE2 no hydrogen 2.980 N/A LEU 237.A N MET 200.A O no hydrogen 2.948 N/A GLY 238.A N LEU 201.A O no hydrogen 3.195 N/A GLU 239.A N GLY 236.A O no hydrogen 3.245 N/A ASN 240.A N LEU 237.A O no hydrogen 3.015 N/A ASN 240.A ND2 ALA 125.A O no hydrogen 3.053 N/A ASN 240.A ND2 GLN 129.A OE1 no hydrogen 2.863 N/A ALA 242.A N ASN 240.A OD1 no hydrogen 2.937 N/A ARG 244.A N ASN 240.A O no hydrogen 3.162 N/A ARG 244.A NE ASP 27.A OD2 no hydrogen 2.625 N/A ARG 244.A NH1 GLY 238.A O no hydrogen 2.950 N/A ALA 245.A N PRO 241.A O no hydrogen 2.987 N/A MET 246.A N ALA 242.A O no hydrogen 3.307 N/A PHE 247.A N ILE 243.A O no hydrogen 3.145 N/A VAL 248.A N ARG 244.A O no hydrogen 3.023 N/A ALA 249.A N ALA 245.A O no hydrogen 2.897 N/A HIS 250.A N MET 246.A O no hydrogen 2.936 N/A HIS 250.A ND1 VAL 110.A O no hydrogen 2.821 N/A HIS 250.A NE2 ASP 118.A OD1 no hydrogen 2.547 N/A LEU 251.A N PHE 247.A O no hydrogen 3.125 N/A HIS 252.A N VAL 248.A O no hydrogen 3.014 N/A HIS 252.A NE2 SER 31.A OG no hydrogen 2.553 N/A GLN 253.A N ALA 249.A O no hydrogen 2.808 N/A ALA 254.A N HIS 250.A O no hydrogen 2.874 N/A LEU 255.A N LEU 251.A O no hydrogen 2.800 N/A ASN 256.A N HIS 252.A O no hydrogen 3.086 N/A ASN 256.A ND2 HIS 252.A O no hydrogen 2.886 N/A