Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wl3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 1.A N GLU 73.A OE2 no hydrogen 3.351 N/A VAL 3.A N LEU 162.A O no hydrogen 2.837 N/A THR 4.A N ARG 64.A O no hydrogen 2.880 N/A THR 4.A OG1 ARG 64.A O no hydrogen 3.542 N/A GLY 7.A N GLY 62.A O no hydrogen 2.846 N/A TYR 8.A N GLY 62.A O no hydrogen 3.204 N/A TYR 8.A OH GLU 113.A OE1 no hydrogen 2.710 N/A LEU 9.A N ARG 47.A O no hydrogen 3.012 N/A GLY 10.A N TYR 60.A O no hydrogen 2.981 N/A LEU 11.A N VAL 49.A O no hydrogen 2.715 N/A SER 12.A N ASP 57.A O no hydrogen 2.618 N/A SER 12.A OG ASP 53.A OD1 no hydrogen 3.143 N/A SER 12.A OG ASP 53.A OD2 no hydrogen 2.848 N/A VAL 13.A N HIS 51.A O no hydrogen 3.023 N/A SER 14.A N ASP 56.A OD1 no hydrogen 3.254 N/A SER 14.A OG ASP 56.A OD1 no hydrogen 3.392 N/A SER 14.A OG ASP 56.A OD2 no hydrogen 2.424 N/A TRP 19.A N ASN 15.A O no hydrogen 3.241 N/A TRP 19.A NE1 SER 250.A OG no hydrogen 3.033 N/A ARG 20.A N LEU 16.A O no hydrogen 3.077 N/A ASP 21.A N ASP 17.A O no hydrogen 3.285 N/A TYR 22.A N TRP 19.A O no hydrogen 3.280 N/A ALA 23.A N TRP 19.A O no hydrogen 2.795 N/A ALA 24.A N ARG 20.A O no hydrogen 3.025 N/A GLY 25.A N ARG 20.A O no hydrogen 3.222 N/A ILE 26.A N TYR 22.A O no hydrogen 3.155 N/A GLY 27.A N ALA 23.A O no hydrogen 3.237 N/A GLN 28.A N ARG 41.A O no hydrogen 2.833 N/A VAL 30.A N TYR 39.A O no hydrogen 2.952 N/A GLY 33.A N ASP 31.A OD1 no hydrogen 2.856 N/A ARG 37.A NE ASP 36.A OD1 no hydrogen 2.860 N/A ARG 37.A NH1 GLU 95.A OE2 no hydrogen 2.434 N/A ARG 37.A NH2 ASP 36.A OD1 no hydrogen 3.530 N/A ARG 37.A NH2 ASP 36.A OD2 no hydrogen 2.950 N/A ARG 37.A NH2 GLU 95.A OE2 no hydrogen 3.181 N/A ILE 38.A N LEU 50.A O no hydrogen 3.162 N/A TYR 39.A N VAL 30.A O no hydrogen 2.835 N/A TYR 39.A OH GLU 34.A OE1 no hydrogen 2.933 N/A TYR 39.A OH GLU 34.A OE2 no hydrogen 3.320 N/A LEU 40.A N ILE 48.A O no hydrogen 2.734 N/A ARG 41.A N GLN 28.A O no hydrogen 2.828 N/A ARG 41.A NE TRP 44.A O no hydrogen 3.029 N/A ARG 41.A NH1 GLN 28.A OE1 no hydrogen 3.219 N/A ARG 41.A NH1 SER 124.A O no hydrogen 2.745 N/A ARG 41.A NH2 ARG 43.A O no hydrogen 3.096 N/A ARG 41.A NH2 SER 124.A O no hydrogen 2.785 N/A TRP 44.A N ASP 42.A OD1 no hydrogen 3.268 N/A HIS 45.A N GLN 119.A O no hydrogen 2.824 N/A ARG 47.A N LEU 40.A O no hydrogen 2.936 N/A ARG 47.A NE GLY 7.A O no hydrogen 3.093 N/A ARG 47.A NH1 ASP 42.A OD2 no hydrogen 2.764 N/A ARG 47.A NH2 GLU 5.A OE1 no hydrogen 2.626 N/A ARG 47.A NH2 GLY 7.A O no hydrogen 3.210 N/A ILE 48.A N LEU 40.A O no hydrogen 3.088 N/A VAL 49.A N LEU 9.A O no hydrogen 2.828 N/A LEU 50.A N ILE 38.A O no hydrogen 3.019 N/A HIS 51.A N LEU 11.A O no hydrogen 2.865 N/A HIS 51.A NE2 TYR 60.A OH no hydrogen 2.759 N/A ALA 52.A N ASP 36.A O no hydrogen 2.875 N/A ASP 53.A N HIS 51.A O no hydrogen 2.823 N/A GLY 54.A N VAL 13.A O no hydrogen 3.208 N/A SER 55.A N ASP 53.A OD1 no hydrogen 3.199 N/A ASP 57.A N SER 12.A O no hydrogen 2.848 N/A LEU 58.A N ASP 57.A OD1 no hydrogen 2.723 N/A ALA 59.A N GLY 10.A O no hydrogen 2.687 N/A TYR 60.A N GLY 10.A O no hydrogen 3.309 N/A TYR 60.A OH HIS 51.A NE2 no hydrogen 2.759 N/A ILE 61.A N PRO 111.A O no hydrogen 3.102 N/A GLY 62.A N TYR 8.A O no hydrogen 2.723 N/A TRP 63.A N GLU 113.A O no hydrogen 2.651 N/A ARG 64.A N GLU 5.A O no hydrogen 2.927 N/A ARG 64.A NH1 GLU 5.A OE2 no hydrogen 3.314 N/A VAL 65.A N PHE 115.A O no hydrogen 2.735 N/A GLU 70.A N GLU 70.A OE1 no hydrogen 2.690 N/A LEU 71.A N GLY 67.A O no hydrogen 3.015 N/A ASP 72.A N PRO 68.A O no hydrogen 3.179 N/A GLU 73.A N VAL 69.A O no hydrogen 3.177 N/A LEU 74.A N GLU 70.A O no hydrogen 3.282 N/A ALA 75.A N LEU 71.A O no hydrogen 2.998 N/A GLU 76.A N ASP 72.A O no hydrogen 2.897 N/A GLN 77.A N GLU 73.A O no hydrogen 2.890 N/A GLN 77.A NE2 LEU 161.A O no hydrogen 3.501 N/A LEU 78.A N LEU 74.A O no hydrogen 2.875 N/A LYS 79.A N ALA 75.A O no hydrogen 2.818 N/A ASN 80.A N GLU 76.A O no hydrogen 2.920 N/A ALA 81.A N GLN 77.A O no hydrogen 3.169 N/A ALA 81.A N LEU 78.A O no hydrogen 3.306 N/A GLY 82.A N LYS 79.A O no hydrogen 3.432 N/A ILE 83.A N LEU 78.A O no hydrogen 2.961 N/A GLU 86.A N LYS 103.A O no hydrogen 2.947 N/A ALA 88.A N LEU 101.A O no hydrogen 2.926 N/A ASP 92.A N SER 89.A OG no hydrogen 3.313 N/A ALA 93.A N SER 89.A O no hydrogen 2.941 N/A ALA 94.A N ASP 90.A O no hydrogen 2.869 N/A GLU 95.A N ALA 91.A O no hydrogen 3.036 N/A ARG 96.A N ASP 92.A O no hydrogen 3.401 N/A ARG 96.A NE GLU 113.A OE1 no hydrogen 2.739 N/A ARG 96.A NE GLU 113.A OE2 no hydrogen 2.987 N/A ARG 96.A NH2 GLU 113.A OE2 no hydrogen 2.713 N/A ARG 97.A N ALA 94.A O no hydrogen 3.048 N/A ARG 97.A NH1 GLN 119.A OE1 no hydrogen 3.048 N/A ARG 97.A NH2 ASP 32.A OD2 no hydrogen 2.667 N/A VAL 98.A N ALA 93.A O no hydrogen 2.996 N/A LEU 99.A N TYR 116.A O no hydrogen 3.103 N/A GLY 100.A N TYR 116.A O no hydrogen 3.499 N/A VAL 102.A N ILE 114.A O no hydrogen 2.990 N/A LYS 103.A N GLU 86.A O no hydrogen 2.842 N/A LEU 104.A N THR 112.A O no hydrogen 2.655 N/A ASP 106.A N ASN 110.A O no hydrogen 3.146 N/A GLY 108.A N ASP 106.A OD1 no hydrogen 2.789 N/A GLY 109.A N ASP 106.A O no hydrogen 2.931 N/A ASN 110.A N ASP 106.A OD1 no hydrogen 2.950 N/A THR 112.A N LEU 104.A O no hydrogen 2.713 N/A THR 112.A OG1 ASN 110.A O no hydrogen 2.980 N/A GLU 113.A N ILE 61.A O no hydrogen 2.809 N/A ILE 114.A N VAL 102.A O no hydrogen 3.004 N/A PHE 115.A N TRP 63.A O no hydrogen 2.855 N/A TYR 116.A N GLY 100.A O no hydrogen 3.183 N/A GLN 119.A N ARG 97.A O no hydrogen 2.831 N/A ASP 121.A N ARG 43.A O no hydrogen 2.987 N/A SER 123.A OG ASP 121.A OD1 no hydrogen 2.934 N/A HIS 127.A N GLN 28.A OE1 no hydrogen 2.842 N/A GLY 129.A N GLY 27.A O no hydrogen 3.073 N/A ARG 130.A NE ILE 26.A O no hydrogen 2.890 N/A ARG 130.A NH1 PRO 131.A O no hydrogen 2.810 N/A ARG 130.A NH1 ASP 214.A OD1 no hydrogen 2.882 N/A ARG 130.A NH2 ILE 26.A O no hydrogen 3.506 N/A ARG 130.A NH2 ASP 214.A O no hydrogen 3.024 N/A PHE 132.A N ASP 214.A OD2 no hydrogen 3.034 N/A GLY 133.A N ASP 214.A OD2 no hydrogen 2.758 N/A LYS 134.A N THR 210.A OG1 no hydrogen 3.123 N/A VAL 136.A N GLU 208.A O no hydrogen 2.781 N/A THR 137.A OG1 ASP 42.A OD2 no hydrogen 2.499 N/A GLN 140.A N THR 137.A O no hydrogen 2.916 N/A GLY 141.A N THR 137.A O no hydrogen 2.864 N/A LEU 142.A N LEU 6.A O no hydrogen 2.925 N/A ILE 145.A N SER 192.A O no hydrogen 3.167 N/A ILE 146.A N HIS 205.A O no hydrogen 3.176 N/A ILE 147.A N ALA 194.A O no hydrogen 3.188 N/A ARG 148.A N ARG 202.A O no hydrogen 2.883 N/A GLU 154.A N ASP 151.A OD1 no hydrogen 3.013 N/A ALA 155.A N ASP 151.A O no hydrogen 2.792 N/A THR 156.A N VAL 152.A O no hydrogen 2.815 N/A THR 156.A OG1 VAL 152.A O no hydrogen 2.756 N/A ARG 157.A N GLU 153.A O no hydrogen 3.044 N/A ARG 157.A NH1 GLU 154.A OE2 no hydrogen 3.434 N/A PHE 158.A N GLU 154.A O no hydrogen 3.027 N/A TYR 159.A N ALA 155.A O no hydrogen 2.968 N/A TYR 159.A OH ASP 106.A OD2 no hydrogen 2.548 N/A ARG 160.A N THR 156.A O no hydrogen 2.971 N/A ARG 160.A NH2 GLY 166.A O no hydrogen 2.820 N/A LEU 161.A N ARG 157.A O no hydrogen 3.241 N/A LEU 162.A N PHE 158.A O no hydrogen 3.229 N/A GLY 163.A N TYR 159.A O no hydrogen 3.191 N/A GLY 163.A N ARG 160.A O no hydrogen 3.091 N/A LEU 164.A N TYR 159.A O no hydrogen 3.128 N/A GLU 165.A N HIS 185.A O no hydrogen 2.840 N/A GLU 169.A N PRO 182.A O no hydrogen 3.091 N/A TYR 170.A OH ASN 238.A OD1 no hydrogen 2.661 N/A TYR 170.A OH ASP 273.A OD1 no hydrogen 3.351 N/A LYS 171.A N TYR 270.A O no hydrogen 3.127 N/A PHE 172.A N GLY 180.A O no hydrogen 3.056 N/A GLY 177.A N LEU 174.A O no hydrogen 2.981 N/A GLY 180.A N PHE 172.A O no hydrogen 2.668 N/A VAL 183.A N PHE 195.A O no hydrogen 2.779 N/A PHE 184.A N ALA 167.A O no hydrogen 2.971 N/A CYS 186.A SG SER 192.A OG no hydrogen 3.775 N/A ASN 187.A ND2 THR 4.A O no hydrogen 2.719 N/A ARG 189.A N ASN 187.A OD1 no hydrogen 3.000 N/A ARG 189.A NE GLN 140.A O no hydrogen 2.759 N/A ARG 189.A NH1 GLU 208.A OE1 no hydrogen 3.273 N/A ARG 189.A NH2 VAL 136.A O no hydrogen 2.864 N/A ARG 189.A NH2 GLN 140.A O no hydrogen 3.410 N/A ARG 189.A NH2 GLY 141.A O no hydrogen 2.987 N/A HIS 190.A ND1 HIS 191.A ND1 no hydrogen 3.125 N/A HIS 191.A ND1 HIS 190.A ND1 no hydrogen 3.125 N/A ALA 194.A N ILE 145.A O no hydrogen 2.895 N/A PHE 195.A N VAL 183.A O no hydrogen 2.972 N/A LYS 201.A NZ ASP 56.A O no hydrogen 2.703 N/A LYS 201.A NZ SER 250.A O no hydrogen 3.307 N/A ARG 202.A N ASP 57.A OD1 no hydrogen 3.057 N/A ARG 202.A N ASP 57.A OD2 no hydrogen 3.251 N/A ASN 204.A N ILE 146.A O no hydrogen 2.893 N/A ASN 204.A ND2 HIS 205.A ND1 no hydrogen 2.997 N/A LEU 206.A N LEU 253.A O no hydrogen 3.188 N/A ILE 207.A N GLU 255.A O no hydrogen 3.319 N/A TYR 209.A N GLY 257.A O no hydrogen 2.884 N/A THR 210.A N LYS 134.A O no hydrogen 3.038 N/A THR 210.A OG1 LYS 134.A O no hydrogen 3.249 N/A THR 210.A OG1 HIS 211.A ND1 no hydrogen 2.637 N/A HIS 211.A ND1 THR 210.A OG1 no hydrogen 2.637 N/A ASP 214.A N HIS 211.A O no hydrogen 3.075 N/A GLY 216.A N LEU 212.A O no hydrogen 3.025 N/A TYR 217.A N ASP 213.A O no hydrogen 2.899 N/A ALA 218.A N ASP 214.A O no hydrogen 3.151 N/A HIS 219.A N LEU 215.A O no hydrogen 3.071 N/A ASP 220.A N GLY 216.A O no hydrogen 2.970 N/A LEU 221.A N TYR 217.A O no hydrogen 3.232 N/A VAL 222.A N ALA 218.A O no hydrogen 2.737 N/A ARG 223.A N HIS 219.A O no hydrogen 2.971 N/A GLN 224.A N ASP 220.A O no hydrogen 2.986 N/A GLN 225.A N LEU 221.A O no hydrogen 2.731 N/A LYS 226.A N ARG 223.A O no hydrogen 3.013 N/A ILE 227.A N VAL 222.A O no hydrogen 3.209 N/A THR 230.A N TYR 245.A O no hydrogen 2.768 N/A GLN 232.A N ASP 278.A O no hydrogen 2.845 N/A GLY 234.A N THR 243.A O no hydrogen 3.075 N/A LYS 235.A N PHE 275.A O no hydrogen 2.805 N/A LYS 235.A NZ GLU 240.A O no hydrogen 3.125 N/A HIS 236.A ND1 ASP 273.A OD1 no hydrogen 3.051 N/A HIS 236.A NE2 TYR 245.A OH no hydrogen 2.676 N/A SER 237.A OG ARG 272.A O no hydrogen 2.474 N/A ASN 238.A N TYR 170.A OH no hydrogen 3.190 N/A ASN 238.A ND2 GLU 169.A OE1 no hydrogen 2.769 N/A ASP 239.A N ASN 238.A OD1 no hydrogen 2.777 N/A GLU 240.A N HIS 236.A O no hydrogen 2.989 N/A ALA 241.A N ASP 239.A OD1 no hydrogen 3.031 N/A LEU 242.A N TRP 258.A O no hydrogen 2.816 N/A THR 243.A N GLY 234.A O no hydrogen 2.950 N/A THR 243.A OG1 GLU 255.A OE2 no hydrogen 2.873 N/A PHE 244.A N PRO 256.A O no hydrogen 3.405 N/A TYR 245.A N LEU 231.A O no hydrogen 3.239 N/A TYR 245.A OH HIS 236.A NE2 no hydrogen 2.676 N/A CYS 246.A N TRP 254.A O no hydrogen 2.824 N/A CYS 246.A SG TYR 22.A OH no hydrogen 3.134 N/A ALA 247.A N ASP 228.A O no hydrogen 2.928 N/A ASN 248.A N TRP 252.A O no hydrogen 2.718 N/A SER 250.A N ASN 248.A OD1 no hydrogen 2.774 N/A SER 250.A OG ASP 56.A OD1 no hydrogen 2.656 N/A GLY 251.A N ASN 248.A O no hydrogen 3.189 N/A TRP 252.A N ASN 248.A OD1 no hydrogen 3.334 N/A LEU 253.A N ASN 204.A O no hydrogen 3.373 N/A TRP 254.A N CYS 246.A O no hydrogen 2.712 N/A GLU 255.A N LEU 206.A O no hydrogen 2.737 N/A GLY 257.A N ILE 207.A O no hydrogen 2.789 N/A TRP 258.A N LEU 242.A O no hydrogen 2.817 N/A TRP 258.A NE1 THR 210.A O no hydrogen 2.663 N/A SER 260.A N GLU 208.A OE2 no hydrogen 3.217 N/A ARG 261.A N ASP 239.A O no hydrogen 3.013 N/A ARG 261.A NE ASN 238.A O no hydrogen 2.845 N/A ARG 261.A NH2 ASN 238.A O no hydrogen 2.816 N/A TYR 270.A N GLU 169.A O no hydrogen 2.896 N/A TYR 270.A OH GLU 268.A OE1 no hydrogen 2.421 N/A ARG 272.A NE ASP 273.A O no hydrogen 2.947 N/A ARG 272.A NH2 ASP 273.A O no hydrogen 3.492 N/A ARG 272.A NH2 ILE 274.A O no hydrogen 3.201 N/A ILE 274.A N LYS 235.A O no hydrogen 2.964 N/A PHE 275.A N LYS 235.A O no hydrogen 3.334 N/A HIS 277.A N ILE 233.A O no hydrogen 3.199 N/A GLU 280.A N THR 230.A O no hydrogen 3.105 N/A