Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hml_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 2.A N ASN 189.A OD1 no hydrogen 2.855 N/A LEU 6.A N GLN 188.A OE1 no hydrogen 3.049 N/A GLN 9.A NE2 GLN 9.A O no hydrogen 3.365 N/A GLN 9.A NE2 GLU 12.A OE1 no hydrogen 3.320 N/A GLN 9.A NE2 GLU 13.A OE2 no hydrogen 2.781 N/A ALA 10.A N SER 7.A OG no hydrogen 2.975 N/A PHE 11.A N SER 7.A O no hydrogen 2.722 N/A GLU 12.A N PRO 8.A O no hydrogen 2.812 N/A GLU 13.A N GLN 9.A O no hydrogen 3.196 N/A ALA 14.A N ALA 10.A O no hydrogen 3.299 N/A LEU 15.A N PHE 11.A O no hydrogen 3.213 N/A ARG 16.A N GLU 12.A O no hydrogen 2.999 N/A ARG 16.A NE GLU 12.A OE2 no hydrogen 2.743 N/A ARG 16.A NH2 GLU 12.A OE2 no hydrogen 2.933 N/A ALA 17.A N GLU 13.A O no hydrogen 2.906 N/A LYS 18.A N LEU 15.A O no hydrogen 3.282 N/A LYS 18.A NZ GLN 196.A OE1 no hydrogen 2.792 N/A GLY 19.A N ARG 16.A O no hydrogen 3.034 N/A ASP 20.A N ALA 17.A O no hydrogen 3.287 N/A PHE 21.A N LYS 18.A O no hydrogen 3.134 N/A TYR 22.A N GLY 19.A O no hydrogen 3.077 N/A HIS 25.A N TYR 22.A O no hydrogen 3.035 N/A HIS 26.A N HIS 23.A O no hydrogen 3.062 N/A HIS 26.A NE2 ASP 207.A OD1 no hydrogen 2.782 N/A TYR 28.A N HIS 26.A ND1 no hydrogen 3.039 N/A TYR 28.A OH GLN 41.A O no hydrogen 2.604 N/A ILE 30.A N HIS 26.A O no hydrogen 2.951 N/A ALA 31.A N PRO 27.A O no hydrogen 2.813 N/A MET 32.A N TYR 28.A O no hydrogen 3.237 N/A HIS 33.A N HIS 29.A O no hydrogen 2.903 N/A ASN 34.A N ILE 30.A O no hydrogen 3.095 N/A GLY 35.A N MET 32.A O no hydrogen 3.426 N/A ASN 36.A N ALA 31.A O no hydrogen 2.865 N/A THR 38.A N GLN 41.A OE1 no hydrogen 2.999 N/A GLN 41.A N THR 38.A OG1 no hydrogen 3.065 N/A GLN 41.A NE2 TYR 213.A O no hydrogen 2.787 N/A ILE 42.A N THR 38.A O no hydrogen 2.996 N/A GLN 43.A N ARG 39.A O no hydrogen 2.923 N/A GLN 43.A NE2 VAL 100.A O no hydrogen 2.682 N/A GLY 44.A N GLU 40.A O no hydrogen 3.001 N/A TRP 45.A N GLN 41.A O no hydrogen 2.911 N/A VAL 46.A N ILE 42.A O no hydrogen 2.942 N/A ALA 47.A N GLN 43.A O no hydrogen 2.828 N/A ASN 48.A N GLY 44.A O no hydrogen 3.028 N/A ASN 48.A ND2 GLY 44.A O no hydrogen 2.627 N/A ASN 48.A ND2 HIS 112.A O no hydrogen 3.659 N/A ARG 49.A N TRP 45.A O no hydrogen 2.791 N/A PHE 50.A N VAL 46.A O no hydrogen 2.934 N/A TYR 51.A OH ASP 122.A OD1 no hydrogen 2.633 N/A TYR 51.A OH ASP 122.A OD2 no hydrogen 3.427 N/A GLN 53.A N ARG 49.A O no hydrogen 2.962 N/A THR 54.A N PHE 50.A O no hydrogen 2.845 N/A THR 54.A OG1 PHE 50.A O no hydrogen 3.140 N/A THR 54.A OG1 TYR 51.A O no hydrogen 3.294 N/A THR 54.A OG1 GLU 110.A OE2 no hydrogen 3.463 N/A THR 55.A N TYR 52.A O no hydrogen 3.098 N/A THR 55.A OG1 TYR 51.A O no hydrogen 2.870 N/A ILE 56.A N TYR 52.A O no hydrogen 3.092 N/A LYS 59.A N THR 55.A O no hydrogen 2.859 N/A LYS 59.A NZ ASP 60.A OD1 no hydrogen 2.627 N/A LYS 59.A NZ TYR 124.A OH no hydrogen 3.407 N/A ASP 60.A N ILE 56.A O no hydrogen 2.799 N/A ALA 61.A N PRO 57.A O no hydrogen 3.016 N/A ALA 62.A N LEU 58.A O no hydrogen 3.122 N/A ILE 63.A N LYS 59.A O no hydrogen 3.241 N/A MET 64.A N ASP 60.A O no hydrogen 3.225 N/A ALA 65.A N ALA 61.A O no hydrogen 2.824 N/A ASN 66.A N ILE 63.A O no hydrogen 3.150 N/A ASN 66.A ND2 ALA 128.A O no hydrogen 3.089 N/A ASN 66.A ND2 ARG 129.A O no hydrogen 2.896 N/A CYS 67.A N MET 64.A O no hydrogen 3.152 N/A CYS 67.A SG ASP 69.A O no hydrogen 3.694 N/A THR 72.A N ASP 69.A OD2 no hydrogen 3.259 N/A THR 72.A OG1 ASP 69.A OD2 no hydrogen 2.285 N/A ARG 73.A N ASP 69.A O no hydrogen 3.019 N/A ARG 73.A NH1 CYS 67.A O no hydrogen 2.551 N/A ARG 74.A N ALA 70.A O no hydrogen 2.983 N/A TRP 76.A N THR 72.A O no hydrogen 2.760 N/A TRP 76.A NE1 ASP 60.A OD1 no hydrogen 2.901 N/A VAL 77.A N ARG 73.A O no hydrogen 2.782 N/A GLN 78.A N LYS 75.A O no hydrogen 3.336 N/A ARG 79.A N TRP 76.A O no hydrogen 3.256 N/A ARG 79.A NH1 GLU 143.A OE1 no hydrogen 3.064 N/A LEU 81.A N VAL 77.A O no hydrogen 3.151 N/A ASP 82.A N GLN 78.A O no hydrogen 3.093 N/A HIS 83.A N ARG 79.A O no hydrogen 3.128 N/A HIS 83.A ND1 ARG 79.A O no hydrogen 3.189 N/A ASP 84.A N ILE 80.A O no hydrogen 2.805 N/A GLY 89.A N ASP 82.A O no hydrogen 2.894 N/A ILE 90.A N HIS 83.A O no hydrogen 3.115 N/A LEU 94.A N ILE 90.A O no hydrogen 3.083 N/A ARG 95.A N GLU 91.A O no hydrogen 2.901 N/A LEU 96.A N ALA 92.A O no hydrogen 2.965 N/A GLY 97.A N TRP 93.A O no hydrogen 2.819 N/A GLU 98.A N LEU 94.A O no hydrogen 3.131 N/A ALA 99.A N ARG 95.A O no hydrogen 3.204 N/A VAL 100.A N LEU 96.A O no hydrogen 3.029 N/A GLY 101.A N GLU 98.A O no hydrogen 3.222 N/A LEU 102.A N GLY 97.A O no hydrogen 2.715 N/A SER 103.A N ASP 106.A OD2 no hydrogen 2.917 N/A ARG 104.A NE GLU 98.A OE2 no hydrogen 3.203 N/A ARG 104.A NH1 GLU 91.A OE1 no hydrogen 3.072 N/A ARG 104.A NH2 GLU 91.A OE1 no hydrogen 2.881 N/A ARG 104.A NH2 GLU 91.A OE2 no hydrogen 2.462 N/A ASP 106.A N SER 103.A OG no hydrogen 3.206 N/A LEU 107.A N SER 103.A O no hydrogen 3.178 N/A LEU 108.A N ARG 104.A O no hydrogen 2.840 N/A SER 109.A N ASP 105.A O no hydrogen 2.794 N/A SER 109.A OG ASP 105.A O no hydrogen 2.909 N/A SER 109.A OG ASP 106.A O no hydrogen 2.844 N/A GLU 110.A N LEU 107.A O no hydrogen 3.344 N/A ARG 111.A N SER 109.A OG no hydrogen 3.290 N/A ARG 111.A NH1 ASP 105.A OD2 no hydrogen 3.222 N/A ARG 111.A NH2 ASP 105.A OD2 no hydrogen 3.478 N/A LEU 114.A N ASN 48.A OD1 no hydrogen 2.874 N/A ARG 118.A N LEU 114.A O no hydrogen 3.021 N/A PHE 119.A N PRO 115.A O no hydrogen 2.795 N/A ALA 120.A N GLY 116.A O no hydrogen 3.260 N/A VAL 121.A N VAL 117.A O no hydrogen 2.971 N/A ASP 122.A N ARG 118.A O no hydrogen 2.740 N/A ALA 123.A N PHE 119.A O no hydrogen 2.988 N/A TYR 124.A N VAL 121.A O no hydrogen 3.084 N/A LEU 125.A N VAL 121.A O no hydrogen 3.353 N/A ASN 126.A N ASP 122.A O no hydrogen 2.907 N/A PHE 127.A N ALA 123.A O no hydrogen 3.060 N/A ALA 128.A N TYR 124.A O no hydrogen 3.092 N/A ARG 129.A N LEU 125.A O no hydrogen 2.951 N/A ARG 130.A N ASN 126.A O no hydrogen 3.182 N/A ARG 130.A N PHE 127.A O no hydrogen 3.142 N/A ALA 131.A N PHE 127.A O no hydrogen 2.697 N/A CYS 132.A SG GLN 134.A OE1 no hydrogen 3.309 N/A GLN 134.A N GLN 134.A OE1 no hydrogen 2.839 N/A ALA 136.A N CYS 132.A O no hydrogen 3.331 N/A ALA 137.A N TRP 133.A O no hydrogen 2.816 N/A CYS 138.A N GLN 134.A O no hydrogen 2.848 N/A CYS 138.A SG GLN 134.A O no hydrogen 3.161 N/A CYS 138.A SG GLY 174.A O no hydrogen 3.806 N/A SER 139.A N GLU 135.A O no hydrogen 3.280 N/A SER 139.A N ALA 136.A O no hydrogen 3.224 N/A SER 139.A OG ALA 136.A O no hydrogen 2.812 N/A SER 140.A N ALA 137.A O no hydrogen 3.133 N/A SER 140.A OG ALA 137.A O no hydrogen 2.698 N/A LEU 141.A N CYS 138.A O no hydrogen 3.126 N/A GLU 143.A N SER 140.A O no hydrogen 3.131 N/A LEU 144.A N LEU 141.A O no hydrogen 2.965 N/A PHE 145.A N THR 142.A O no hydrogen 3.025 N/A ALA 146.A N GLU 143.A O no hydrogen 3.207 N/A GLN 151.A N SER 148.A O no hydrogen 3.169 N/A HIS 152.A N SER 148.A O no hydrogen 3.350 N/A TYR 153.A N TRP 149.A O no hydrogen 2.653 N/A TYR 153.A OH MET 32.A O no hydrogen 2.729 N/A ILE 156.A N TYR 153.A O no hydrogen 2.933 N/A LYS 157.A N ALA 99.A O no hydrogen 2.938 N/A LYS 157.A NZ GLU 98.A O no hydrogen 2.348 N/A GLU 158.A N GLU 158.A OE1 no hydrogen 2.705 N/A TYR 161.A N LYS 157.A O no hydrogen 3.234 N/A PHE 162.A N GLU 158.A O no hydrogen 2.897 N/A TYR 163.A N GLU 159.A O no hydrogen 2.784 N/A PHE 164.A N GLY 160.A O no hydrogen 2.962 N/A ARG 165.A N TYR 161.A O no hydrogen 3.104 N/A SER 166.A N PHE 162.A O no hydrogen 2.661 N/A SER 166.A OG PHE 162.A O no hydrogen 3.044 N/A ARG 167.A N TYR 163.A O no hydrogen 2.848 N/A LEU 177.A N HIS 173.A O no hydrogen 2.988 N/A ALA 178.A N GLY 174.A O no hydrogen 3.319 N/A LYS 179.A N LEU 175.A O no hydrogen 2.877 N/A LYS 179.A NZ GLU 12.A OE1 no hydrogen 3.000 N/A ALA 180.A N ALA 176.A O no hydrogen 3.085 N/A TYR 181.A N LEU 177.A O no hydrogen 2.858 N/A CYS 182.A N ALA 178.A O no hydrogen 2.862 N/A CYS 182.A SG ALA 178.A O no hydrogen 3.271 N/A SER 184.A OG GLU 186.A OE1 no hydrogen 3.448 N/A LYS 187.A N SER 184.A OG no hydrogen 3.109 N/A GLN 188.A N SER 184.A O no hydrogen 3.064 N/A GLN 188.A NE2 LEU 6.A O no hydrogen 3.038 N/A GLN 188.A NE2 CYS 182.A O no hydrogen 3.065 N/A ASN 189.A N ALA 185.A O no hydrogen 2.903 N/A ASN 189.A ND2 ILE 2.A O no hydrogen 2.774 N/A ARG 190.A N GLU 186.A O no hydrogen 3.161 N/A ARG 190.A NE GLU 135.A OE1 no hydrogen 3.204 N/A ARG 190.A NE GLU 135.A OE2 no hydrogen 2.648 N/A ARG 190.A NH2 GLU 135.A OE1 no hydrogen 2.747 N/A MET 191.A N LYS 187.A O no hydrogen 2.792 N/A LEU 192.A N GLN 188.A O no hydrogen 2.956 N/A GLU 193.A N ASN 189.A O no hydrogen 3.164 N/A ILE 194.A N ARG 190.A O no hydrogen 2.869 N/A LEU 195.A N MET 191.A O no hydrogen 3.039 N/A GLN 196.A N LEU 192.A O no hydrogen 2.907 N/A GLN 196.A NE2 ASP 200.A OD1 no hydrogen 3.118 N/A PHE 197.A N GLU 193.A O no hydrogen 2.911 N/A LYS 198.A N ILE 194.A O no hydrogen 3.145 N/A LYS 198.A NZ TYR 124.A OH no hydrogen 3.433 N/A LYS 198.A NZ SER 139.A O no hydrogen 3.013 N/A LYS 198.A NZ THR 142.A OG1 no hydrogen 2.759 N/A LEU 199.A N LEU 195.A O no hydrogen 2.939 N/A ASP 200.A N GLN 196.A O no hydrogen 2.733 N/A ILE 201.A N PHE 197.A O no hydrogen 3.082 N/A LEU 202.A N LYS 198.A O no hydrogen 3.259 N/A TRP 203.A N LEU 199.A O no hydrogen 3.125 N/A SER 204.A N ASP 200.A O no hydrogen 2.753 N/A SER 204.A OG ASP 200.A O no hydrogen 3.235 N/A MET 205.A N ILE 201.A O no hydrogen 3.035 N/A ASP 207.A N TRP 203.A O no hydrogen 3.062 N/A ALA 208.A N SER 204.A O no hydrogen 3.144 N/A MET 209.A N MET 205.A O no hydrogen 3.213 N/A THR 210.A N LEU 206.A O no hydrogen 2.863 N/A THR 210.A OG1 LEU 206.A O no hydrogen 2.710 N/A MET 211.A N ASP 207.A O no hydrogen 2.914 N/A ALA 212.A N ALA 208.A O no hydrogen 3.179 N/A TYR 213.A N MET 209.A O no hydrogen 2.811 N/A ALA 214.A N THR 210.A O no hydrogen 2.877 N/A LEU 215.A N THR 210.A O no hydrogen 2.802 N/A GLN 216.A NE2 TYR 213.A O no hydrogen 3.664 N/A ARG 217.A N MET 211.A O no hydrogen 2.747 N/A HIS 221.A N PRO 218.A O no hydrogen 3.103 N/A VAL 223.A N TYR 220.A O no hydrogen 2.882 N/A THR 224.A N TYR 220.A O no hydrogen 2.848 N/A LYS 226.A N THR 224.A OG1 no hydrogen 3.261 N/A TRP 229.A NE1 ARG 111.A O no hydrogen 3.101 N/A ARG 233.A NH1 THR 55.A OG1 no hydrogen 2.959 N/A ARG 233.A NH2 THR 55.A OG1 no hydrogen 3.260 N/A ARG 233.A NH2 GLU 110.A OE2 no hydrogen 3.242 N/A LEU 236.A N ARG 233.A O no hydrogen 3.222 N/A GLU 237.A N ARG 233.A O no hydrogen 3.099 N/A