Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3w0f_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 1.A N GLY 74.A O no hydrogen 3.568 N/A GLY 3.A N GLY 162.A O no hydrogen 2.700 N/A CYS 6.A N GLU 2.A O no hydrogen 3.093 N/A CYS 6.A SG GLY 57.A O no hydrogen 3.704 N/A THR 7.A N GLY 3.A O no hydrogen 2.778 N/A THR 7.A OG1 GLY 3.A O no hydrogen 2.800 N/A LEU 8.A N PRO 4.A O no hydrogen 2.968 N/A ASN 9.A N GLY 5.A O no hydrogen 3.003 N/A GLY 10.A N CYS 6.A O no hydrogen 3.034 N/A GLU 11.A N THR 7.A O no hydrogen 2.968 N/A LYS 12.A N LEU 8.A O no hydrogen 2.957 N/A ILE 13.A N ASN 9.A O no hydrogen 3.133 N/A ARG 14.A N GLY 10.A O no hydrogen 2.925 N/A ARG 14.A NH2 VAL 53.A O no hydrogen 2.942 N/A ALA 15.A N GLU 11.A O no hydrogen 3.016 N/A ARG 16.A N LYS 12.A O no hydrogen 3.037 N/A VAL 17.A N ILE 13.A O no hydrogen 3.024 N/A GLY 20.A N TYR 50.A O no hydrogen 2.742 N/A GLN 21.A NE2 LEU 18.A O no hydrogen 2.982 N/A GLN 21.A NE2 ASP 99.A OD2 no hydrogen 2.899 N/A ALA 22.A N THR 97.A OG1 no hydrogen 3.126 N/A THR 24.A N GLN 95.A O no hydrogen 2.793 N/A THR 24.A OG1 GLN 95.A O no hydrogen 3.241 N/A GLY 25.A N GLN 95.A O no hydrogen 3.201 N/A VAL 26.A N GLY 38.A O no hydrogen 2.961 N/A ARG 27.A N ALA 93.A O no hydrogen 2.984 N/A ARG 27.A NE GLU 87.A OE1 no hydrogen 3.148 N/A ARG 27.A NE GLU 87.A OE2 no hydrogen 2.919 N/A ARG 27.A NH2 GLU 87.A OE2 no hydrogen 2.366 N/A THR 29.A N PRO 90.A O no hydrogen 3.313 N/A ALA 30.A N ALA 91.A O no hydrogen 2.834 N/A LEU 31.A N GLY 28.A O no hydrogen 3.323 N/A GLN 32.A N THR 29.A O no hydrogen 3.333 N/A LEU 34.A N LEU 31.A O no hydrogen 3.272 N/A LEU 42.A N TRP 39.A O no hydrogen 3.228 N/A LEU 44.A N LEU 41.A O no hydrogen 2.839 N/A PHE 45.A N LEU 42.A O no hydrogen 2.881 N/A ASN 46.A N LEU 42.A O no hydrogen 2.849 N/A TYR 48.A N PHE 45.A O no hydrogen 2.823 N/A TYR 50.A N GLN 21.A O no hydrogen 2.693 N/A SER 51.A N TYR 63.A O no hydrogen 2.738 N/A GLU 54.A N PHE 61.A O no hydrogen 3.000 N/A LEU 56.A N GLU 59.A O no hydrogen 2.889 N/A GLY 57.A N ASP 127.A OD2 no hydrogen 2.881 N/A LYS 58.A NZ VAL 163.A O no hydrogen 3.220 N/A GLU 59.A N LEU 56.A O no hydrogen 3.002 N/A LEU 60.A N ILE 71.A O no hydrogen 2.879 N/A PHE 61.A N GLU 54.A O no hydrogen 2.704 N/A MET 62.A N LEU 69.A O no hydrogen 3.022 N/A TYR 63.A N GLY 52.A O no hydrogen 2.921 N/A TYR 63.A OH GLU 54.A OE1 no hydrogen 2.770 N/A PHE 64.A N ARG 67.A O no hydrogen 2.790 N/A ARG 67.A N PHE 64.A O no hydrogen 2.975 N/A ARG 67.A NE ASN 112.A OD1 no hydrogen 3.273 N/A ARG 67.A NH2 ASN 112.A OD1 no hydrogen 3.031 N/A ALA 68.A N ARG 111.A O no hydrogen 2.893 N/A LEU 69.A N MET 62.A O no hydrogen 2.849 N/A ARG 70.A N GLU 109.A O no hydrogen 2.733 N/A ARG 70.A NE GLU 59.A OE2 no hydrogen 2.703 N/A ARG 70.A NH2 GLU 59.A OE2 no hydrogen 3.207 N/A ILE 71.A N LEU 60.A O no hydrogen 2.697 N/A HIS 72.A N SER 107.A O no hydrogen 3.088 N/A GLY 74.A N ASP 105.A O no hydrogen 2.850 N/A LYS 76.A N ASP 105.A OD2 no hydrogen 3.022 N/A GLY 77.A N GLY 74.A O no hydrogen 2.964 N/A SER 78.A N TYR 104.A O no hydrogen 3.223 N/A LEU 80.A N CYS 102.A O no hydrogen 2.995 N/A ASN 82.A N LEU 100.A O no hydrogen 2.762 N/A ASN 82.A ND2 ASP 99.A OD1 no hydrogen 2.781 N/A GLY 86.A N PRO 83.A O no hydrogen 3.172 N/A ALA 91.A N PHE 103.A O no hydrogen 2.740 N/A LEU 92.A N PHE 103.A O no hydrogen 3.142 N/A ALA 93.A N ARG 27.A O no hydrogen 2.881 N/A VAL 94.A N ILE 101.A O no hydrogen 2.894 N/A GLN 95.A N GLY 25.A O no hydrogen 2.720 N/A GLN 95.A NE2 LEU 96.A O no hydrogen 2.837 N/A LEU 96.A N ASP 99.A O no hydrogen 2.678 N/A THR 97.A N ALA 22.A O no hydrogen 2.958 N/A THR 97.A OG1 ALA 22.A O no hydrogen 3.424 N/A ARG 98.A N GLN 21.A OE1 no hydrogen 2.818 N/A ASP 99.A N GLN 21.A OE1 no hydrogen 3.015 N/A LEU 100.A N ASN 82.A OD1 no hydrogen 2.859 N/A ILE 101.A N VAL 94.A O no hydrogen 2.994 N/A CYS 102.A N LEU 80.A O no hydrogen 2.882 N/A PHE 103.A N LEU 92.A O no hydrogen 2.678 N/A TYR 104.A N SER 78.A O no hydrogen 2.869 N/A TYR 104.A OH GLU 87.A O no hydrogen 2.536 N/A SER 106.A OG TYR 104.A O no hydrogen 2.729 N/A SER 107.A N HIS 72.A O no hydrogen 2.927 N/A GLU 109.A N ARG 70.A O no hydrogen 2.887 N/A LEU 110.A N LEU 34.A O no hydrogen 3.374 N/A ARG 111.A N ALA 68.A O no hydrogen 2.759 N/A ARG 111.A NE GLU 109.A OE2 no hydrogen 2.993 N/A ARG 111.A NH2 GLU 109.A OE2 no hydrogen 2.669 N/A SER 113.A N PRO 66.A O no hydrogen 2.871 N/A SER 113.A OG GLY 65.A O no hydrogen 2.843 N/A SER 116.A N ASN 112.A O no hydrogen 3.148 N/A SER 116.A OG ASN 112.A O no hydrogen 2.786 N/A GLN 117.A N SER 113.A O no hydrogen 2.782 N/A GLN 118.A N VAL 114.A O no hydrogen 3.108 N/A ARG 119.A N GLU 115.A O no hydrogen 3.199 N/A ARG 119.A NE GLU 115.A OE2 no hydrogen 3.276 N/A ARG 119.A NH1 GLU 59.A OE1 no hydrogen 2.926 N/A ARG 119.A NH2 GLU 59.A OE1 no hydrogen 3.468 N/A ARG 119.A NH2 GLU 59.A OE2 no hydrogen 3.172 N/A VAL 120.A N SER 116.A O no hydrogen 3.108 N/A ARG 121.A N GLN 117.A O no hydrogen 3.016 N/A ARG 121.A NH1 GLN 118.A OE1 no hydrogen 3.125 N/A VAL 122.A N GLN 118.A O no hydrogen 3.168 N/A MET 123.A N ARG 119.A O no hydrogen 3.037 N/A MET 123.A N VAL 120.A O no hydrogen 3.143 N/A GLU 124.A N VAL 120.A O no hydrogen 2.798 N/A LEU 126.A N MET 123.A O no hydrogen 2.791 N/A ASP 127.A N GLU 124.A O no hydrogen 2.957 N/A ILE 128.A N PRO 161.A O no hydrogen 3.150 N/A CYS 129.A N ASP 127.A OD1 no hydrogen 2.789 N/A SER 130.A N ASP 127.A O no hydrogen 2.964 N/A LYS 132.A N SER 130.A OG no hydrogen 3.014 N/A PHE 133.A N SER 130.A O no hydrogen 3.066 N/A SER 134.A N GLU 125.A O no hydrogen 2.877 N/A SER 136.A OG SER 134.A OG no hydrogen 3.021 N/A ARG 137.A N SER 134.A OG no hydrogen 3.194 N/A ARG 137.A NH1 VAL 122.A O no hydrogen 2.760 N/A ARG 137.A NH1 GLU 125.A OE1 no hydrogen 2.732 N/A ARG 137.A NH2 VAL 122.A O no hydrogen 2.791 N/A ALA 138.A N SER 134.A O no hydrogen 3.053 N/A GLU 139.A N PHE 135.A O no hydrogen 2.969 N/A SER 140.A N SER 136.A O no hydrogen 3.036 N/A SER 140.A OG SER 136.A O no hydrogen 3.130 N/A GLU 141.A N ARG 137.A O no hydrogen 2.840 N/A VAL 142.A N ALA 138.A O no hydrogen 2.973 N/A LYS 143.A N GLU 139.A O no hydrogen 3.035 N/A LYS 143.A NZ ASP 188.A OD1 no hydrogen 2.953 N/A LYS 144.A N SER 140.A O no hydrogen 3.062 N/A GLN 145.A N VAL 142.A O no hydrogen 2.934 N/A GLY 146.A N LYS 143.A O no hydrogen 2.952 N/A ARG 148.A NH1 GLN 145.A OE1 no hydrogen 2.608 N/A ARG 148.A NH1 ASP 156.A OD2 no hydrogen 2.843 N/A ARG 148.A NH2 ASP 156.A OD2 no hydrogen 3.127 N/A LEU 150.A N VAL 181.A O no hydrogen 2.892 N/A CYS 151.A N PRO 179.A O no hydrogen 3.240 N/A CYS 151.A SG PRO 179.A O no hydrogen 3.149 N/A VAL 153.A N MET 149.A O no hydrogen 3.019 N/A LEU 154.A N LEU 150.A O no hydrogen 2.826 N/A LEU 155.A N CYS 151.A O no hydrogen 3.337 N/A ASP 156.A N VAL 153.A O no hydrogen 3.108 N/A GLN 157.A NE2 LEU 155.A O no hydrogen 2.854 N/A GLN 157.A NE2 VAL 163.A O no hydrogen 3.127 N/A ARG 158.A N ASP 156.A OD1 no hydrogen 2.834 N/A VAL 159.A N ASP 156.A O no hydrogen 2.891 N/A LEU 160.A N ASP 156.A O no hydrogen 3.153 N/A GLY 162.A N GLN 157.A OE1 no hydrogen 2.926 N/A VAL 163.A N LEU 160.A O no hydrogen 3.268 N/A ILE 166.A N GLU 2.A OE2 no hydrogen 2.957 N/A ILE 167.A N GLU 2.A OE1 no hydrogen 3.301 N/A LYS 168.A N GLY 164.A O no hydrogen 2.937 N/A LYS 168.A NZ ASN 165.A OD1 no hydrogen 2.904 N/A LYS 168.A NZ MET 245.A O no hydrogen 3.045 N/A LYS 168.A NZ THR 246.A OG1 no hydrogen 3.002 N/A ASN 169.A N ASN 165.A O no hydrogen 2.897 N/A GLU 170.A N ILE 166.A O no hydrogen 2.935 N/A ALA 171.A N ILE 167.A O no hydrogen 2.791 N/A LEU 172.A N LYS 168.A O no hydrogen 3.094 N/A PHE 173.A N ASN 169.A O no hydrogen 3.208 N/A ASP 174.A N GLU 170.A O no hydrogen 2.934 N/A SER 175.A N LEU 172.A O no hydrogen 3.210 N/A SER 175.A OG ALA 171.A O no hydrogen 2.914 N/A GLY 176.A N PHE 173.A O no hydrogen 2.877 N/A LEU 177.A N LEU 172.A O no hydrogen 2.983 N/A ALA 180.A N HIS 178.A ND1 no hydrogen 2.921 N/A VAL 181.A N HIS 178.A O no hydrogen 3.113 N/A LYS 182.A N GLN 185.A OE1 no hydrogen 2.903 N/A VAL 183.A N ARG 148.A O no hydrogen 2.869 N/A CYS 184.A N GLY 146.A O no hydrogen 2.725 N/A CYS 184.A SG GLY 146.A O no hydrogen 3.703 N/A CYS 184.A SG ASP 147.A OD1 no hydrogen 3.750 N/A GLN 185.A N LYS 182.A O no hydrogen 2.956 N/A LEU 186.A N VAL 183.A O no hydrogen 2.922 N/A SER 187.A N GLN 190.A OE1 no hydrogen 2.814 N/A GLN 190.A N SER 187.A OG no hydrogen 3.111 N/A ALA 191.A N SER 187.A O no hydrogen 3.000 N/A CYS 192.A N ASP 188.A O no hydrogen 2.990 N/A CYS 192.A SG GLU 139.A OE2 no hydrogen 3.660 N/A HIS 193.A N LYS 189.A O no hydrogen 3.003 N/A LEU 194.A N GLN 190.A O no hydrogen 2.852 N/A VAL 195.A N ALA 191.A O no hydrogen 3.092 N/A LYS 196.A N CYS 192.A O no hydrogen 3.053 N/A LYS 196.A NZ ASP 200.A OD2 no hydrogen 2.843 N/A MET 197.A N HIS 193.A O no hydrogen 2.963 N/A THR 198.A N LEU 194.A O no hydrogen 2.926 N/A THR 198.A OG1 LEU 194.A O no hydrogen 2.769 N/A ARG 199.A N VAL 195.A O no hydrogen 2.971 N/A ARG 199.A NH1 ILE 128.A O no hydrogen 2.731 N/A ARG 199.A NH1 SER 130.A O no hydrogen 2.978 N/A ARG 199.A NH2 SER 130.A O no hydrogen 3.109 N/A ASP 200.A N LYS 196.A O no hydrogen 2.875 N/A PHE 201.A N MET 197.A O no hydrogen 3.013 N/A SER 202.A N THR 198.A O no hydrogen 3.009 N/A SER 202.A OG THR 198.A O no hydrogen 2.910 N/A ILE 203.A N ARG 199.A O no hydrogen 2.962 N/A LEU 204.A N ASP 200.A O no hydrogen 3.006 N/A PHE 205.A N PHE 201.A O no hydrogen 2.747 N/A TYR 206.A N SER 202.A O no hydrogen 2.899 N/A TYR 206.A OH GLU 11.A OE1 no hydrogen 2.486 N/A TYR 206.A OH GLU 11.A OE2 no hydrogen 3.305 N/A ARG 207.A N ILE 203.A O no hydrogen 2.963 N/A CYS 208.A N LEU 204.A O no hydrogen 2.987 N/A CYS 208.A SG LEU 204.A O no hydrogen 3.319 N/A CYS 209.A N PHE 205.A O no hydrogen 2.928 N/A CYS 209.A SG PHE 205.A O no hydrogen 3.434 N/A LYS 210.A N TYR 206.A O no hydrogen 2.941 N/A ALA 211.A N ARG 207.A O no hydrogen 2.867 N/A GLY 212.A N CYS 208.A O no hydrogen 2.773 N/A GLY 212.A N CYS 209.A O no hydrogen 3.111 N/A SER 213.A N CYS 208.A O no hydrogen 2.852 N/A SER 213.A OG CYS 208.A O no hydrogen 3.484 N/A LYS 217.A N ALA 214.A O no hydrogen 3.399 N/A LYS 217.A NZ ALA 214.A O no hydrogen 2.953 N/A HIS 218.A N ILE 215.A O no hydrogen 2.812 N/A CYS 219.A N SER 216.A O no hydrogen 3.269 N/A CYS 219.A SG ILE 215.A O no hydrogen 3.443 N/A LYS 220.A N GLU 170.A OE1 no hydrogen 2.770 N/A LYS 220.A N GLU 170.A OE2 no hydrogen 3.123 N/A LYS 220.A NZ ASP 174.A OD1 no hydrogen 2.740 N/A VAL 221.A N GLU 170.A OE2 no hydrogen 3.110 N/A TYR 222.A N GLU 170.A OE2 no hydrogen 3.031 N/A LYS 223.A NZ TYR 247.A OH no hydrogen 2.989 N/A ARG 224.A N VAL 221.A O no hydrogen 2.838 N/A ASN 226.A ND2 HIS 231.A O no hydrogen 2.867 N/A CYS 227.A N SER 232.A O no hydrogen 2.908 N/A CYS 227.A SG GLN 229.A OE1 no hydrogen 4.038 N/A CYS 230.A SG SER 232.A OG no hydrogen 2.963 N/A HIS 231.A N CYS 227.A O no hydrogen 2.817 N/A ILE 234.A N PRO 225.A O no hydrogen 2.894 N/A THR 235.A N PHE 248.A O no hydrogen 2.960 N/A CYS 237.A N THR 246.A O no hydrogen 3.192 N/A CYS 237.A SG ARG 238.A O no hydrogen 4.033 N/A ARG 238.A NE SER 243.A O no hydrogen 2.988 N/A SER 243.A N GLY 240.A O no hydrogen 2.754 N/A SER 243.A OG ASP 152.A OD1 no hydrogen 2.837 N/A SER 243.A OG ARG 244.A O no hydrogen 3.382 N/A THR 246.A N CYS 237.A O no hydrogen 2.934 N/A TYR 247.A N ASN 169.A OD1 no hydrogen 2.982 N/A PHE 248.A N THR 235.A O no hydrogen 2.974 N/A CYS 249.A N GLN 253.A OE1 no hydrogen 2.934 N/A CYS 252.A SG GLN 229.A OE1 no hydrogen 3.198 N/A CYS 252.A SG HIS 251.A ND1 no hydrogen 3.859 N/A GLN 253.A N CYS 249.A O no hydrogen 2.773 N/A GLN 253.A NE2 LEU 177.A O no hydrogen 2.835 N/A LYS 254.A NZ HIS 251.A O no hydrogen 2.956 N/A