Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2wel_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ASP 4.A OD2 no hydrogen 2.797 N/A SER 1.A OG ASP 4.A OD2 no hydrogen 2.749 N/A MET 2.A N GLU 74.A OE2 no hydrogen 2.801 N/A ASP 4.A N SER 1.A O no hydrogen 2.919 N/A GLU 5.A N SER 1.A O no hydrogen 3.197 N/A GLU 5.A N MET 2.A O no hydrogen 2.892 N/A TYR 6.A N MET 2.A O no hydrogen 2.731 N/A TYR 6.A OH ASP 70.A OD2 no hydrogen 2.711 N/A GLN 7.A N MET 24.A O no hydrogen 2.886 N/A GLN 7.A NE2 LEU 8.A O no hydrogen 3.015 N/A PHE 9.A N ARG 22.A O no hydrogen 2.701 N/A GLU 10.A N GLU 10.A OE1 no hydrogen 2.736 N/A LEU 12.A N VAL 20.A O no hydrogen 2.727 N/A GLY 13.A N VAL 20.A O no hydrogen 3.281 N/A LYS 14.A NZ GLU 11.A OE1 no hydrogen 3.559 N/A LYS 14.A NZ GLU 11.A OE2 no hydrogen 2.584 N/A GLY 15.A N SER 18.A O no hydrogen 2.667 N/A SER 18.A N GLY 15.A O no hydrogen 3.293 N/A SER 18.A OG ALA 16.A O no hydrogen 3.357 N/A VAL 19.A N ILE 36.A O no hydrogen 3.020 N/A VAL 20.A N GLY 13.A O no hydrogen 2.714 N/A ARG 21.A N ALA 34.A O no hydrogen 2.889 N/A ARG 21.A NE PHE 9.A O no hydrogen 2.797 N/A ARG 21.A NH2 PHE 9.A O no hydrogen 3.073 N/A ARG 22.A N GLU 10.A O no hydrogen 2.970 N/A ARG 22.A NE GLU 10.A OE1 no hydrogen 3.343 N/A ARG 22.A NE GLU 10.A OE2 no hydrogen 2.825 N/A ARG 22.A NH1 GLU 31.A OE2 no hydrogen 2.846 N/A ARG 22.A NH2 GLU 10.A OE1 no hydrogen 2.805 N/A CYS 23.A N TYR 32.A O no hydrogen 2.958 N/A MET 24.A N GLN 7.A O no hydrogen 2.906 N/A LYS 25.A N GLN 30.A O no hydrogen 2.900 N/A ILE 26.A N GLU 5.A O no hydrogen 2.886 N/A THR 28.A N LYS 25.A O no hydrogen 3.334 N/A GLY 29.A N LYS 25.A O no hydrogen 2.861 N/A GLN 30.A N THR 28.A OG1 no hydrogen 3.177 N/A TYR 32.A N CYS 23.A O no hydrogen 2.910 N/A ALA 33.A N PHE 82.A O no hydrogen 2.918 N/A ALA 34.A N ARG 21.A O no hydrogen 2.794 N/A LYS 35.A N LEU 80.A O no hydrogen 2.664 N/A ILE 36.A N VAL 19.A O no hydrogen 2.680 N/A ILE 37.A N HIS 78.A O no hydrogen 2.866 N/A ASN 38.A N PHE 17.A O no hydrogen 2.951 N/A THR 39.A N GLY 76.A O no hydrogen 2.878 N/A LYS 40.A NZ ASN 38.A OD1 no hydrogen 3.217 N/A LYS 40.A NZ GLY 76.A O no hydrogen 3.006 N/A LYS 41.A N ASN 38.A O no hydrogen 3.220 N/A LEU 42.A N THR 39.A O no hydrogen 3.216 N/A ASP 46.A N SER 43.A OG no hydrogen 3.047 N/A HIS 47.A N SER 43.A O no hydrogen 2.923 N/A HIS 47.A ND1 GLU 51.A OE2 no hydrogen 2.762 N/A GLN 48.A N ALA 44.A O no hydrogen 2.829 N/A LYS 49.A N ARG 45.A O no hydrogen 3.074 N/A LEU 50.A N ASP 46.A O no hydrogen 3.038 N/A GLU 51.A N HIS 47.A O no hydrogen 2.883 N/A ARG 52.A N GLN 48.A O no hydrogen 3.047 N/A GLU 53.A N LYS 49.A O no hydrogen 2.908 N/A ALA 54.A N LEU 50.A O no hydrogen 2.878 N/A ARG 55.A N GLU 51.A O no hydrogen 3.034 N/A ARG 55.A NE GLU 155.A OE1 no hydrogen 3.144 N/A ARG 55.A NH1 GLU 155.A OE2 no hydrogen 2.989 N/A ILE 56.A N ARG 52.A O no hydrogen 2.942 N/A CYS 57.A N GLU 53.A O no hydrogen 2.880 N/A CYS 57.A SG GLU 53.A O no hydrogen 3.282 N/A ARG 58.A N ALA 54.A O no hydrogen 2.994 N/A LEU 59.A N ARG 55.A O no hydrogen 3.263 N/A LEU 60.A N CYS 57.A O no hydrogen 3.108 N/A ASN 64.A N HIS 62.A ND1 no hydrogen 2.965 N/A ASN 64.A ND2 GLN 111.A OE1 no hydrogen 3.297 N/A ASN 64.A ND2 VAL 145.A O no hydrogen 2.977 N/A ILE 65.A N HIS 62.A O no hydrogen 3.038 N/A VAL 66.A N LEU 147.A O no hydrogen 2.910 N/A ARG 67.A N ASP 83.A OD2 no hydrogen 2.937 N/A ARG 67.A NH2 ARG 58.A O no hydrogen 2.870 N/A ARG 67.A NH2 LEU 60.A O no hydrogen 3.015 N/A HIS 69.A N VAL 81.A O no hydrogen 2.682 N/A HIS 69.A NE2 ASP 83.A OD1 no hydrogen 2.716 N/A SER 71.A OG HIS 78.A NE2 no hydrogen 2.720 N/A ILE 72.A N TYR 79.A O no hydrogen 2.829 N/A GLU 74.A N PHE 77.A O no hydrogen 2.798 N/A PHE 77.A N GLU 74.A O no hydrogen 3.372 N/A HIS 78.A N ILE 37.A O no hydrogen 2.914 N/A HIS 78.A NE2 SER 71.A OG no hydrogen 2.720 N/A TYR 79.A N ILE 72.A O no hydrogen 2.765 N/A LEU 80.A N LYS 35.A O no hydrogen 3.030 N/A VAL 81.A N ASP 70.A O no hydrogen 2.878 N/A PHE 82.A N ALA 33.A O no hydrogen 2.782 N/A ASP 83.A N ARG 67.A O no hydrogen 3.070 N/A THR 86.A N ALA 137.A O no hydrogen 3.137 N/A GLY 87.A N LEU 136.A O no hydrogen 2.939 N/A LEU 90.A N LEU 134.A O no hydrogen 2.796 N/A PHE 91.A N PRO 131.A O no hydrogen 3.204 N/A GLU 92.A N GLU 89.A O no hydrogen 3.041 N/A ASP 93.A N GLU 89.A O no hydrogen 3.310 N/A ILE 94.A N LEU 90.A O no hydrogen 2.958 N/A VAL 95.A N PHE 91.A O no hydrogen 3.054 N/A ALA 96.A N GLU 92.A O no hydrogen 2.912 N/A ARG 97.A N ASP 93.A O no hydrogen 2.983 N/A ARG 97.A NH2 ASP 93.A OD2 no hydrogen 2.704 N/A GLU 98.A N VAL 95.A O no hydrogen 3.360 N/A TYR 100.A N LEU 199.A O no hydrogen 2.814 N/A TYR 100.A OH ASP 93.A OD2 no hydrogen 2.449 N/A ASP 104.A N SER 101.A OG no hydrogen 3.074 N/A ALA 105.A N SER 101.A O no hydrogen 2.734 N/A SER 106.A N GLU 102.A O no hydrogen 2.824 N/A SER 106.A OG.A GLU 102.A O no hydrogen 3.151 N/A SER 106.A OG.A ALA 103.A O no hydrogen 2.822 N/A SER 106.A OG.B TRP 263.A O no hydrogen 2.972 N/A HIS 107.A N ALA 103.A O no hydrogen 3.130 N/A CYS 108.A N ASP 104.A O no hydrogen 2.962 N/A ILE 109.A N ALA 105.A O no hydrogen 2.850 N/A GLN 110.A N SER 106.A O no hydrogen 2.909 N/A GLN 111.A N HIS 107.A O no hydrogen 3.377 N/A GLN 111.A NE2 HIS 107.A O no hydrogen 3.199 N/A ILE 112.A N CYS 108.A O no hydrogen 3.048 N/A LEU 113.A N ILE 109.A O no hydrogen 2.808 N/A GLU 114.A N GLN 110.A O no hydrogen 2.989 N/A SER 115.A N GLN 111.A O no hydrogen 3.048 N/A SER 115.A OG ILE 112.A O no hydrogen 2.648 N/A VAL 116.A N ILE 112.A O no hydrogen 2.997 N/A ASN 117.A N LEU 113.A O no hydrogen 2.798 N/A HIS 118.A N GLU 114.A O no hydrogen 2.992 N/A CYS 119.A N SER 115.A O no hydrogen 3.073 N/A CYS 119.A SG SER 115.A O no hydrogen 3.430 N/A HIS 120.A N VAL 116.A O no hydrogen 2.905 N/A HIS 120.A NE2 ASP 188.A OD2 no hydrogen 2.760 N/A LEU 121.A N ASN 117.A O no hydrogen 2.891 N/A ASN 122.A N HIS 118.A O no hydrogen 3.134 N/A ASN 122.A N CYS 119.A O no hydrogen 2.921 N/A ASN 122.A ND2 HIS 118.A O no hydrogen 2.817 N/A GLY 123.A N HIS 120.A O no hydrogen 3.028 N/A ILE 124.A N CYS 119.A O no hydrogen 2.944 N/A VAL 125.A N ILE 154.A O no hydrogen 2.967 N/A HIS 126.A N ASP 188.A OD2 no hydrogen 3.022 N/A HIS 126.A NE2 ALA 148.A O no hydrogen 2.812 N/A ARG 127.A N ASP 188.A OD1 no hydrogen 2.885 N/A ARG 127.A NE LEU 152.A O no hydrogen 2.861 N/A ARG 127.A NH1 LEU 152.A O no hydrogen 3.047 N/A ARG 127.A NH2 PHE 164.A O no hydrogen 2.964 N/A ARG 127.A NH2 TYR 183.A OH no hydrogen 2.817 N/A ASP 128.A N HIS 126.A ND1 no hydrogen 3.053 N/A LYS 130.A NZ THR 169.A OG1 no hydrogen 2.871 N/A GLU 132.A N GLU 132.A OE1 no hydrogen 2.704 N/A ASN 133.A N LYS 130.A O no hydrogen 2.934 N/A ASN 133.A ND2 ASP 128.A O no hydrogen 2.733 N/A LEU 134.A N PRO 131.A O no hydrogen 3.273 N/A LEU 135.A N LYS 146.A O no hydrogen 2.798 N/A LEU 136.A N GLY 88.A O no hydrogen 2.846 N/A ALA 137.A N ALA 144.A O no hydrogen 2.926 N/A LYS 139.A NZ THR 86.A O no hydrogen 2.814 N/A SER 140.A N SER 138.A OG no hydrogen 3.089 N/A GLY 142.A N SER 140.A OG no hydrogen 2.941 N/A ALA 143.A N SER 140.A O no hydrogen 2.997 N/A VAL 145.A N GLN 111.A OE1 no hydrogen 3.071 N/A LYS 146.A N LEU 135.A O no hydrogen 2.647 N/A LYS 146.A NZ ASP 83.A OD2 no hydrogen 3.113 N/A LEU 147.A N ASN 64.A O no hydrogen 2.846 N/A ALA 148.A N ASN 133.A O no hydrogen 2.905 N/A ALA 153.A N PHE 150.A O no hydrogen 3.029 N/A ILE 154.A N VAL 125.A O no hydrogen 2.913 N/A VAL 156.A N GLY 123.A O no hydrogen 2.827 N/A GLN 160.A N GLN 157.A O no hydrogen 2.982 N/A ALA 162.A N TYR 183.A O no hydrogen 3.341 N/A THR 169.A OG1 ASP 128.A OD1 no hydrogen 2.570 N/A TYR 172.A N THR 169.A O no hydrogen 2.827 N/A LEU 173.A N PRO 170.A O no hydrogen 3.325 N/A GLU 176.A N GLU 176.A OE2 no hydrogen 2.853 N/A VAL 177.A N SER 174.A OG no hydrogen 3.417 N/A LEU 178.A N SER 174.A O no hydrogen 3.079 N/A ARG 179.A N PRO 175.A O no hydrogen 2.853 N/A ARG 179.A NE ASP 181.A OD2 no hydrogen 2.951 N/A ARG 179.A NH2 ASP 181.A OD2 no hydrogen 2.722 N/A LYS 180.A N VAL 177.A O no hydrogen 2.967 N/A ASP 181.A N GLU 176.A O no hydrogen 2.806 N/A TYR 183.A N ALA 162.A O no hydrogen 2.900 N/A TYR 183.A OH GLY 165.A O no hydrogen 2.564 N/A LYS 185.A NZ HIS 120.A O no hydrogen 3.090 N/A LYS 185.A NZ GLY 158.A O no hydrogen 3.374 N/A LYS 185.A NZ ASP 159.A OD1 no hydrogen 3.510 N/A VAL 187.A N GLY 184.A O no hydrogen 3.235 N/A ASP 188.A N LYS 185.A O no hydrogen 3.122 N/A MET 189.A N PRO 186.A O no hydrogen 3.024 N/A TRP 190.A N PRO 186.A O no hydrogen 3.164 N/A ALA 191.A N VAL 187.A O no hydrogen 3.244 N/A CYS 192.A N ASP 188.A O no hydrogen 2.964 N/A CYS 192.A SG ASP 188.A O no hydrogen 3.297 N/A GLY 193.A N MET 189.A O no hydrogen 3.115 N/A VAL 194.A N TRP 190.A O no hydrogen 3.167 N/A ILE 195.A N ALA 191.A O no hydrogen 2.952 N/A LEU 196.A N CYS 192.A O no hydrogen 2.870 N/A TYR 197.A N GLY 193.A O no hydrogen 3.073 N/A TYR 197.A OH ASP 224.A O no hydrogen 2.717 N/A ILE 198.A N VAL 194.A O no hydrogen 3.030 N/A LEU 199.A N ILE 195.A O no hydrogen 2.808 N/A LEU 200.A N LEU 196.A O no hydrogen 3.118 N/A LEU 200.A N TYR 197.A O no hydrogen 3.164 N/A VAL 201.A N TYR 197.A O no hydrogen 3.257 N/A GLY 202.A N ILE 198.A O no hydrogen 2.740 N/A TYR 203.A OH GLU 229.A OE2 no hydrogen 2.584 N/A TRP 207.A NE1 GLU 209.A OE2 no hydrogen 3.087 N/A ASP 210.A N ASP 208.A OD2 no hydrogen 2.856 N/A HIS 212.A N ASP 210.A OD1 no hydrogen 2.856 N/A LEU 214.A N ASP 210.A O no hydrogen 3.042 N/A TYR 215.A N GLN 211.A O no hydrogen 2.847 N/A GLN 216.A N HIS 212.A O no hydrogen 2.978 N/A GLN 217.A N ARG 213.A O no hydrogen 2.951 N/A GLN 217.A NE2 TRP 207.A O no hydrogen 3.349 N/A ILE 218.A N LEU 214.A O no hydrogen 2.977 N/A LYS 219.A N TYR 215.A O no hydrogen 3.002 N/A ALA 220.A N GLN 216.A O no hydrogen 2.954 N/A GLY 221.A N ILE 218.A O no hydrogen 2.860 N/A ALA 222.A N GLN 217.A O no hydrogen 2.817 N/A TYR 223.A N GLY 221.A O no hydrogen 3.066 N/A TYR 223.A OH ASN 242.A OD1 no hydrogen 2.848 N/A SER 227.A OG ASP 231.A OD1 no hydrogen 2.557 N/A SER 227.A OG ASP 231.A OD2 no hydrogen 3.553 N/A GLU 229.A N GLU 229.A OE1 no hydrogen 2.791 N/A TRP 230.A N PRO 226.A O no hydrogen 3.142 N/A ASP 231.A N PRO 228.A O no hydrogen 2.971 N/A VAL 233.A N TRP 230.A O no hydrogen 3.143 N/A THR 234.A N GLU 102.A OE2 no hydrogen 2.927 N/A THR 234.A OG1 GLU 102.A OE1 no hydrogen 2.698 N/A LYS 238.A N THR 234.A O no hydrogen 3.438 N/A LYS 238.A NZ TRP 230.A O no hydrogen 2.880 N/A LYS 238.A NZ VAL 233.A O no hydrogen 3.533 N/A ASP 239.A N PRO 235.A O no hydrogen 2.810 N/A LEU 240.A N GLU 236.A O no hydrogen 3.111 N/A ILE 241.A N ALA 237.A O no hydrogen 3.052 N/A ASN 242.A N LYS 238.A O no hydrogen 2.831 N/A LYS 243.A N ASP 239.A O no hydrogen 2.982 N/A LYS 243.A NZ ASP 239.A OD1 no hydrogen 2.811 N/A LYS 243.A NZ ASP 239.A OD2 no hydrogen 2.791 N/A MET 244.A N LEU 240.A O no hydrogen 3.082 N/A LEU 245.A N ILE 241.A O no hydrogen 2.792 N/A THR 246.A OG1 ASN 242.A O no hydrogen 2.867 N/A THR 246.A OG1 LYS 243.A O no hydrogen 3.390 N/A ALA 250.A N ASN 248.A OD1 no hydrogen 3.016 N/A LYS 251.A N ASN 248.A O no hydrogen 3.021 N/A ARG 252.A NE THR 246.A O no hydrogen 2.944 N/A ARG 252.A NH1 GLU 176.A OE1 no hydrogen 2.747 N/A ARG 252.A NH1 PRO 186.A O no hydrogen 2.802 N/A ARG 252.A NH2 GLU 176.A OE1 no hydrogen 3.512 N/A ARG 252.A NH2 GLU 176.A OE2 no hydrogen 2.812 N/A ARG 252.A NH2 THR 246.A O no hydrogen 3.042 N/A ARG 252.A NH2 ILE 247.A O no hydrogen 3.320 N/A ILE 253.A N LYS 243.A O no hydrogen 3.050 N/A THR 254.A N GLU 257.A OE1 no hydrogen 2.892 N/A THR 254.A OG1 SER 256.A OG.B no hydrogen 3.299 N/A SER 256.A OG.A ASN 117.A OD1 no hydrogen 2.799 N/A SER 256.A OG.B THR 254.A OG1 no hydrogen 3.299 N/A GLU 257.A N THR 254.A OG1 no hydrogen 3.233 N/A ALA 258.A N THR 254.A O no hydrogen 2.804 N/A LEU 259.A N ALA 255.A O no hydrogen 2.933 N/A LYS 260.A N GLU 257.A O no hydrogen 2.992 N/A HIS 261.A N ALA 258.A O no hydrogen 3.085 N/A HIS 261.A NE2 ASP 239.A OD2 no hydrogen 2.864 N/A TRP 263.A N HIS 261.A ND1 no hydrogen 3.192 N/A TRP 263.A NE1 GLU 102.A OE1 no hydrogen 2.925 N/A ILE 264.A N HIS 261.A O no hydrogen 2.996 N/A CYS 265.A N HIS 261.A O no hydrogen 3.044 N/A CYS 265.A SG HIS 261.A O no hydrogen 3.436 N/A GLN 266.A N PRO 262.A O no hydrogen 2.954 N/A ARG 267.A NH2 TRP 263.A O no hydrogen 2.981 N/A HIS 271.A ND1 MET 269.A O no hydrogen 3.134 N/A CYS 278.A SG LEU 279.A O no hydrogen 3.691 N/A ARG 286.A N ASN 283.A OD1 no hydrogen 3.105 N/A LYS 287.A N ASN 283.A O no hydrogen 2.961 N/A LEU 288.A N ALA 284.A O no hydrogen 2.896 N/A LYS 289.A N ARG 285.A O no hydrogen 2.904 N/A GLY 290.A N ARG 286.A O no hydrogen 2.958 N/A ALA 291.A N LYS 287.A O no hydrogen 3.204 N/A ILE 292.A N LEU 288.A O no hydrogen 2.913 N/A LEU 293.A N LYS 289.A O no hydrogen 2.786 N/A THR 294.A N GLY 290.A O no hydrogen 2.950 N/A THR 294.A OG1 GLY 290.A O no hydrogen 2.781 N/A THR 295.A N ALA 291.A O no hydrogen 3.054 N/A THR 295.A OG1 ALA 291.A O no hydrogen 2.944 N/A MET 296.A N ILE 292.A O no hydrogen 2.804 N/A LEU 297.A N LEU 293.A O no hydrogen 2.989 N/A ALA 298.A N THR 294.A O no hydrogen 2.903 N/A THR 299.A N THR 295.A O no hydrogen 2.948 N/A THR 299.A OG1 THR 295.A O no hydrogen 3.346 N/A THR 299.A OG1 MET 296.A O no hydrogen 2.908 N/A ARG 300.A N LEU 297.A O no hydrogen 3.144 N/A SER 303.A N THR 299.A O no hydrogen 3.118 N/A SER 303.A OG THR 299.A O no hydrogen 3.313 N/A ALA 304.A N ARG 300.A O no hydrogen 2.649 N/A