Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w0a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 2.A NE ARG 198.A O no hydrogen 2.783 N/A ARG 2.A NH2 CYS 199.A O no hydrogen 3.317 N/A GLN 9.A N SER 6.A OG no hydrogen 3.027 N/A GLN 10.A N SER 6.A O no hydrogen 2.922 N/A ARG 11.A N GLU 7.A O no hydrogen 2.982 N/A ILE 12.A N GLU 8.A O no hydrogen 2.861 N/A ILE 13.A N GLN 9.A O no hydrogen 3.096 N/A ALA 14.A N GLN 10.A O no hydrogen 3.057 N/A ILE 15.A N ARG 11.A O no hydrogen 2.953 N/A LEU 16.A N ILE 12.A O no hydrogen 2.978 N/A LEU 17.A N ILE 13.A O no hydrogen 2.863 N/A ASP 18.A N ALA 14.A O no hydrogen 2.963 N/A ALA 19.A N ILE 15.A O no hydrogen 2.782 N/A HIS 20.A N LEU 16.A O no hydrogen 3.033 N/A HIS 21.A N LEU 17.A O no hydrogen 2.935 N/A LYS 22.A N ASP 18.A O no hydrogen 3.010 N/A LYS 22.A NZ ASP 18.A OD1 no hydrogen 2.935 N/A THR 23.A N HIS 20.A O no hydrogen 3.083 N/A THR 23.A OG1 ALA 19.A O no hydrogen 2.710 N/A THR 23.A OG1 HIS 20.A O no hydrogen 3.563 N/A THR 27.A N ASP 25.A OD1 no hydrogen 2.867 N/A THR 27.A OG1 ASP 25.A OD1 no hydrogen 2.597 N/A THR 27.A OG1 ASP 25.A OD2 no hydrogen 3.380 N/A TYR 28.A N ASP 25.A O no hydrogen 3.217 N/A SER 29.A N ASP 25.A OD2 no hydrogen 2.936 N/A SER 29.A OG ASP 25.A OD2 no hydrogen 2.574 N/A PHE 31.A N TYR 28.A O no hydrogen 3.324 N/A CYS 32.A SG SER 29.A O no hydrogen 3.813 N/A GLN 33.A N ASP 30.A O no hydrogen 2.918 N/A PHE 34.A N PHE 31.A O no hydrogen 3.147 N/A ARG 35.A N ASP 62.A OD1 no hydrogen 2.743 N/A ARG 35.A NE ASP 62.A OD1 no hydrogen 3.008 N/A ARG 35.A NE ASP 62.A OD2 no hydrogen 3.341 N/A ARG 35.A NH1 MET 239.A O no hydrogen 2.910 N/A ARG 35.A NH2 ASP 62.A OD2 no hydrogen 2.840 N/A ARG 35.A NH2 LEU 241.A O no hydrogen 2.924 N/A ARG 39.A NE ASP 129.A OD1 no hydrogen 2.771 N/A ARG 39.A NE ASP 129.A OD2 no hydrogen 3.459 N/A ARG 39.A NH1 ASP 122.A O no hydrogen 2.899 N/A ARG 39.A NH2 ASP 122.A O no hydrogen 3.032 N/A ARG 39.A NH2 ASP 129.A OD2 no hydrogen 3.232 N/A GLY 45.A N ASP 42.A O no hydrogen 3.302 N/A SER 46.A N ASP 42.A OD1 no hydrogen 2.881 N/A LEU 49.A N SER 46.A OG no hydrogen 3.117 N/A GLU 50.A N SER 46.A O no hydrogen 2.958 N/A LEU 51.A N VAL 47.A O no hydrogen 2.924 N/A SER 52.A N THR 48.A O no hydrogen 2.964 N/A SER 52.A OG THR 48.A O no hydrogen 3.481 N/A SER 52.A OG LEU 49.A O no hydrogen 2.725 N/A GLN 53.A N LEU 49.A O no hydrogen 3.015 N/A GLN 53.A NE2 LEU 49.A O no hydrogen 3.511 N/A LEU 54.A N GLU 50.A O no hydrogen 2.652 N/A SER 55.A OG VAL 38.A O no hydrogen 2.890 N/A MET 56.A N LYS 132.A O no hydrogen 3.316 N/A LEU 57.A N LEU 54.A O no hydrogen 3.105 N/A HIS 59.A ND1 ARG 35.A O no hydrogen 2.796 N/A HIS 59.A NE2 TYR 125.A OH no hydrogen 2.623 N/A LEU 60.A N MET 56.A O no hydrogen 2.933 N/A ALA 61.A N LEU 57.A O no hydrogen 2.757 N/A ASP 62.A N PRO 58.A O no hydrogen 3.000 N/A LEU 63.A N HIS 59.A O no hydrogen 2.903 N/A VAL 64.A N LEU 60.A O no hydrogen 3.004 N/A SER 65.A N ALA 61.A O no hydrogen 2.909 N/A SER 65.A OG THR 242.A OG1 no hydrogen 2.796 N/A TYR 66.A N ASP 62.A O no hydrogen 2.955 N/A TYR 66.A OH ASP 30.A OD2 no hydrogen 2.668 N/A SER 67.A N LEU 63.A O no hydrogen 2.935 N/A SER 67.A OG LEU 63.A O no hydrogen 2.781 N/A ILE 68.A N VAL 64.A O no hydrogen 2.758 N/A GLN 69.A N SER 65.A O no hydrogen 3.049 N/A LYS 70.A N TYR 66.A O no hydrogen 3.162 N/A VAL 71.A N SER 67.A O no hydrogen 2.873 N/A ILE 72.A N ILE 68.A O no hydrogen 2.819 N/A GLY 73.A N GLN 69.A O no hydrogen 3.042 N/A PHE 74.A N LYS 70.A O no hydrogen 2.842 N/A ALA 75.A N VAL 71.A O no hydrogen 2.922 N/A LYS 76.A N ILE 72.A O no hydrogen 3.163 N/A MET 77.A N PHE 74.A O no hydrogen 3.008 N/A ILE 78.A N ALA 75.A O no hydrogen 2.948 N/A PHE 81.A N ILE 78.A O no hydrogen 2.968 N/A ASP 83.A N GLY 80.A O no hydrogen 2.874 N/A LEU 84.A N PHE 81.A O no hydrogen 3.273 N/A ASP 88.A N THR 85.A OG1 no hydrogen 3.130 N/A GLN 89.A N THR 85.A O no hydrogen 2.949 N/A ILE 90.A N SER 86.A O no hydrogen 3.138 N/A VAL 91.A N GLU 87.A O no hydrogen 3.024 N/A LEU 92.A N ASP 88.A O no hydrogen 2.972 N/A LEU 93.A N GLN 89.A O no hydrogen 2.918 N/A LYS 94.A N ILE 90.A O no hydrogen 2.958 N/A LYS 94.A NZ GLU 247.A OE1 no hydrogen 2.943 N/A SER 95.A N VAL 91.A O no hydrogen 2.927 N/A SER 95.A OG VAL 91.A O no hydrogen 2.734 N/A SER 95.A OG LEU 92.A O no hydrogen 3.337 N/A SER 96.A N LEU 92.A O no hydrogen 3.129 N/A SER 96.A OG LEU 92.A O no hydrogen 2.800 N/A SER 96.A OG LEU 93.A O no hydrogen 3.558 N/A ALA 97.A N LEU 93.A O no hydrogen 2.965 N/A VAL 100.A N SER 96.A O no hydrogen 2.930 N/A ILE 101.A N ALA 97.A O no hydrogen 3.009 N/A MET 102.A N ILE 98.A O no hydrogen 2.985 N/A LEU 103.A N GLU 99.A O no hydrogen 2.977 N/A ARG 104.A N VAL 100.A O no hydrogen 2.756 N/A SER 105.A N ILE 101.A O no hydrogen 2.875 N/A SER 105.A OG MET 102.A O no hydrogen 2.785 N/A ASN 106.A N LEU 103.A O no hydrogen 3.124 N/A ASN 106.A ND2 GLN 147.A O no hydrogen 2.989 N/A ASN 106.A ND2 GLN 147.A OE1 no hydrogen 2.944 N/A GLU 107.A N ARG 104.A O no hydrogen 3.286 N/A SER 108.A N SER 105.A O no hydrogen 3.075 N/A SER 108.A OG SER 105.A O no hydrogen 2.955 N/A PHE 109.A N SER 105.A O no hydrogen 3.197 N/A PHE 109.A N ASN 106.A O no hydrogen 3.246 N/A THR 110.A N SER 115.A O no hydrogen 2.788 N/A ASP 112.A N THR 110.A OG1 no hydrogen 3.156 N/A SER 115.A N THR 110.A O no hydrogen 3.343 N/A SER 115.A OG ASP 113.A OD1 no hydrogen 2.662 N/A SER 115.A OG ASP 113.A OD2 no hydrogen 3.496 N/A SER 115.A OG THR 117.A OG1 no hydrogen 2.939 N/A TRP 116.A N TYR 125.A O no hydrogen 2.935 N/A TRP 116.A NE1 SER 105.A OG no hydrogen 3.090 N/A THR 117.A N SER 108.A O no hydrogen 2.891 N/A THR 117.A OG1 SER 115.A OG no hydrogen 2.939 N/A CYS 118.A N TYR 123.A O no hydrogen 3.021 N/A ASP 122.A N ASN 120.A OD1 no hydrogen 3.182 N/A TYR 123.A N ASN 120.A O no hydrogen 3.085 N/A LYS 124.A N GLN 121.A O no hydrogen 3.356 N/A LYS 124.A NZ ASP 113.A OD2 no hydrogen 2.710 N/A LYS 124.A NZ SER 115.A OG no hydrogen 3.220 N/A LYS 124.A NZ THR 117.A OG1 no hydrogen 2.773 N/A TYR 125.A N TRP 116.A O no hydrogen 2.869 N/A TYR 125.A OH HIS 59.A NE2 no hydrogen 2.623 N/A ARG 126.A N ASP 129.A OD2 no hydrogen 3.075 N/A ASP 129.A N ARG 126.A O no hydrogen 2.951 N/A VAL 130.A N VAL 127.A O no hydrogen 3.094 N/A THR 131.A N VAL 127.A O no hydrogen 3.137 N/A THR 131.A OG1 SER 128.A O no hydrogen 2.708 N/A LYS 132.A N SER 128.A O no hydrogen 2.999 N/A ALA 133.A N VAL 130.A O no hydrogen 3.018 N/A GLY 134.A N THR 131.A O no hydrogen 3.046 N/A HIS 135.A N VAL 130.A O no hydrogen 3.394 N/A HIS 135.A ND1 GLN 227.A OE1 no hydrogen 3.122 N/A SER 136.A N GLN 227.A OE1 no hydrogen 2.778 N/A LEU 139.A N SER 136.A O no hydrogen 2.891 N/A ILE 140.A N SER 136.A O no hydrogen 3.342 N/A GLU 141.A N LEU 137.A O no hydrogen 3.104 N/A LEU 143.A N LEU 139.A O no hydrogen 3.042 N/A ILE 144.A N ILE 140.A O no hydrogen 2.875 N/A LYS 145.A N GLU 141.A O no hydrogen 3.136 N/A PHE 146.A N PRO 142.A O no hydrogen 2.833 N/A GLN 147.A N LEU 143.A O no hydrogen 2.969 N/A GLN 147.A NE2 MET 102.A O no hydrogen 3.018 N/A VAL 148.A N ILE 144.A O no hydrogen 3.000 N/A GLY 149.A N LYS 145.A O no hydrogen 2.943 N/A LEU 150.A N PHE 146.A O no hydrogen 2.839 N/A LYS 151.A N GLN 147.A O no hydrogen 2.893 N/A LYS 151.A NZ ASN 106.A O no hydrogen 2.890 N/A LYS 151.A NZ PHE 109.A O no hydrogen 2.792 N/A LYS 152.A N VAL 148.A O no hydrogen 2.959 N/A LEU 153.A N LEU 150.A O no hydrogen 3.121 N/A ASN 154.A N LYS 151.A O no hydrogen 3.060 N/A HIS 156.A N GLU 159.A OE2 no hydrogen 2.903 N/A HIS 156.A ND1 TYR 196.A OH no hydrogen 2.718 N/A GLU 158.A N GLU 158.A OE2 no hydrogen 2.728 N/A HIS 160.A N HIS 156.A O no hydrogen 2.977 N/A VAL 161.A N GLU 157.A O no hydrogen 2.982 N/A LEU 162.A N GLU 158.A O no hydrogen 3.156 N/A LEU 163.A N GLU 159.A O no hydrogen 2.860 N/A MET 164.A N HIS 160.A O no hydrogen 3.060 N/A ALA 165.A N VAL 161.A O no hydrogen 3.045 N/A ILE 166.A N LEU 162.A O no hydrogen 2.818 N/A CYS 167.A N LEU 163.A O no hydrogen 2.906 N/A CYS 167.A SG GLU 99.A OE1 no hydrogen 3.317 N/A ILE 168.A N MET 164.A O no hydrogen 3.055 N/A VAL 169.A N ALA 165.A O no hydrogen 3.000 N/A SER 170.A OG ILE 166.A O no hydrogen 3.157 N/A SER 170.A OG CYS 167.A O no hydrogen 2.821 N/A ARG 173.A NH1 GLU 99.A OE2 no hydrogen 2.888 N/A ARG 173.A NH2 GLU 99.A OE1 no hydrogen 2.934 N/A ARG 173.A NH2 CYS 167.A O no hydrogen 3.110 N/A VAL 176.A N ARG 173.A O no hydrogen 3.484 N/A GLN 177.A N ASP 88.A OD2 no hydrogen 2.808 N/A GLN 177.A NE2 GLY 175.A O no hydrogen 2.876 N/A ASP 178.A N ASP 88.A OD1 no hydrogen 2.992 N/A LEU 181.A N ASP 178.A OD2 no hydrogen 3.119 N/A ILE 182.A N ASP 178.A O no hydrogen 3.186 N/A GLU 183.A N ALA 179.A O no hydrogen 2.878 N/A ALA 184.A N ALA 180.A O no hydrogen 3.032 N/A ILE 185.A N LEU 181.A O no hydrogen 3.074 N/A GLN 186.A N ILE 182.A O no hydrogen 2.852 N/A GLN 186.A NE2 ILE 166.A O no hydrogen 3.025 N/A ASP 187.A N GLU 183.A O no hydrogen 2.741 N/A ARG 188.A N ALA 184.A O no hydrogen 3.181 N/A LEU 189.A N ILE 185.A O no hydrogen 3.237 N/A SER 190.A N GLN 186.A O no hydrogen 2.743 N/A SER 190.A OG GLN 186.A O no hydrogen 3.057 N/A ASN 191.A N ASP 187.A O no hydrogen 2.828 N/A THR 192.A N ARG 188.A O no hydrogen 3.218 N/A THR 192.A OG1 ARG 188.A O no hydrogen 2.680 N/A LEU 193.A N LEU 189.A O no hydrogen 2.971 N/A GLN 194.A N SER 190.A O no hydrogen 2.920 N/A THR 195.A N ASN 191.A O no hydrogen 2.993 N/A THR 195.A OG1 ASN 191.A O no hydrogen 2.734 N/A TYR 196.A N THR 192.A O no hydrogen 2.827 N/A TYR 196.A OH HIS 156.A ND1 no hydrogen 2.718 N/A ILE 197.A N LEU 193.A O no hydrogen 2.971 N/A ARG 198.A N GLN 194.A O no hydrogen 3.192 N/A ARG 198.A NE GLN 194.A O no hydrogen 3.493 N/A CYS 199.A N THR 195.A O no hydrogen 2.967 N/A ARG 200.A N TYR 196.A O no hydrogen 2.689 N/A HIS 201.A N ILE 197.A O no hydrogen 3.061 N/A HIS 201.A ND1 GLU 159.A OE1 no hydrogen 2.622 N/A HIS 201.A ND1 GLU 159.A OE2 no hydrogen 3.085 N/A LYS 209.A N LEU 205.A O no hydrogen 3.137 N/A MET 210.A N LEU 206.A O no hydrogen 2.924 N/A ILE 211.A N TYR 207.A O no hydrogen 2.931 N/A GLN 212.A N ALA 208.A O no hydrogen 2.963 N/A LYS 213.A N LYS 209.A O no hydrogen 3.120 N/A LEU 214.A N MET 210.A O no hydrogen 3.227 N/A ALA 215.A N ILE 211.A O no hydrogen 3.175 N/A ASP 216.A N GLN 212.A O no hydrogen 2.886 N/A LEU 217.A N LYS 213.A O no hydrogen 2.929 N/A ARG 218.A N LEU 214.A O no hydrogen 3.373 N/A ARG 218.A N ALA 215.A O no hydrogen 3.059 N/A ARG 218.A NH1 ASP 172.A O no hydrogen 2.970 N/A ARG 218.A NH2 ASP 172.A O no hydrogen 3.477 N/A ARG 218.A NH2 ASP 172.A OD2 no hydrogen 2.673 N/A LEU 220.A N ASP 216.A O no hydrogen 3.079 N/A ASN 221.A N LEU 217.A O no hydrogen 2.800 N/A ASN 221.A ND2 SER 95.A O no hydrogen 2.843 N/A ASN 221.A ND2 GLU 99.A OE2 no hydrogen 2.874 N/A GLU 222.A N ARG 218.A O no hydrogen 3.013 N/A GLU 223.A N SER 219.A O no hydrogen 3.027 N/A HIS 224.A N LEU 220.A O no hydrogen 2.836 N/A SER 225.A N ASN 221.A O no hydrogen 2.912 N/A LYS 226.A N GLU 222.A O no hydrogen 3.180 N/A GLN 227.A N GLU 223.A O no hydrogen 3.023 N/A GLN 227.A NE2 SER 136.A O no hydrogen 3.655 N/A GLN 227.A NE2 GLU 223.A OE1 no hydrogen 2.746 N/A TYR 228.A N HIS 224.A O no hydrogen 2.818 N/A ARG 229.A N SER 225.A O no hydrogen 3.105 N/A CYS 230.A N LYS 226.A O no hydrogen 3.242 N/A LEU 231.A N GLN 227.A O no hydrogen 2.944 N/A SER 232.A N TYR 228.A O no hydrogen 2.802 N/A SER 232.A OG ARG 229.A O no hydrogen 2.714 N/A PHE 233.A N CYS 230.A O no hydrogen 3.048 N/A GLN 234.A N LEU 231.A O no hydrogen 3.016 N/A CYS 237.A N GLN 234.A O no hydrogen 3.071 N/A CYS 237.A SG LEU 231.A O no hydrogen 3.453 N/A LYS 240.A N CYS 237.A O no hydrogen 2.991 N/A LEU 241.A N SER 238.A O no hydrogen 3.134 N/A THR 242.A OG1 SER 65.A OG no hydrogen 2.796 N/A VAL 245.A N THR 242.A OG1 no hydrogen 3.082 N/A LEU 246.A N THR 242.A O no hydrogen 2.885 N/A GLU 247.A N PRO 243.A O no hydrogen 2.948 N/A VAL 248.A N LEU 244.A O no hydrogen 2.887 N/A PHE 249.A N VAL 245.A O no hydrogen 2.964 N/A GLY 250.A N LEU 246.A O no hydrogen 2.975 N/A