Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8b3s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 6.A N VAL 41.A O no hydrogen 2.841 N/A ASP 8.A N ASP 39.A O no hydrogen 3.047 N/A VAL 9.A N LEU 38.A O no hydrogen 2.967 N/A TRP 10.A N GLN 117.A OE1 no hydrogen 3.304 N/A VAL 11.A N GLU 36.A O no hydrogen 2.891 N/A ASN 12.A N SER 111.A OG no hydrogen 2.770 N/A ASN 12.A ND2 ASP 33.A OD2 no hydrogen 2.919 N/A PHE 14.A N LYS 110.A O no hydrogen 2.737 N/A GLY 16.A N VAL 108.A O no hydrogen 2.761 N/A ASN 19.A ND2 SER 143.A OG no hydrogen 3.360 N/A GLY 20.A N ASN 56.A OD1.A no hydrogen 3.071 N/A GLY 20.A N ASN 56.A OD1.B no hydrogen 2.523 N/A TYR 21.A OH LEU 144.A O no hydrogen 2.449 N/A ASN 22.A N ASN 19.A O no hydrogen 3.129 N/A VAL 23.A N GLY 20.A O no hydrogen 2.922 N/A CYS 24.A SG ASN 22.A O no hydrogen 3.463 N/A HIS 25.A N GLU 28.A OE1 no hydrogen 3.161 N/A GLU 28.A N HIS 25.A O no hydrogen 2.831 N/A TRP 29.A N PHE 26.A O no hydrogen 2.896 N/A TRP 29.A NE1 CYS 24.A O no hydrogen 3.024 N/A ARG 30.A N ASP 33.A OD2 no hydrogen 2.801 N/A ARG 30.A NH1 GLU 239.A OE2 no hydrogen 3.115 N/A ARG 30.A NH2 GLU 239.A OE1 no hydrogen 2.647 N/A ASP 33.A N ARG 30.A O no hydrogen 3.026 N/A GLU 36.A N VAL 11.A O no hydrogen 2.892 N/A LEU 38.A N VAL 9.A O no hydrogen 2.769 N/A GLN 40.A N TYR 74.A O no hydrogen 3.200 N/A GLN 40.A NE2 LYS 72.A O no hydrogen 2.742 N/A VAL 41.A N LEU 6.A O no hydrogen 2.808 N/A LEU 43.A N LEU 4.A O no hydrogen 2.858 N/A LEU 44.A N VAL 89.A O no hydrogen 2.809 N/A ARG 45.A NH1 VAL 125.A O no hydrogen 3.147 N/A VAL 46.A N THR 91.A O no hydrogen 2.913 N/A SER 48.A OG ASP 92.A OD2 no hydrogen 2.853 N/A PHE 51.A N PRO 47.A O no hydrogen 3.107 N/A HIS 52.A N SER 48.A O no hydrogen 2.859 N/A TYR 53.A N VAL 49.A O no hydrogen 3.065 N/A TYR 53.A OH GLU 60.A O no hydrogen 2.666 N/A ILE 54.A N LEU 50.A O no hydrogen 2.991 N/A GLU 55.A N PHE 51.A O no hydrogen 2.832 N/A ASN 56.A N HIS 52.A O no hydrogen 2.959 N/A ASN 56.A ND2.A HIS 52.A ND1 no hydrogen 3.040 N/A ASN 56.A ND2.A HIS 52.A O no hydrogen 3.506 N/A ASN 56.A ND2.A GLU 55.A OE1 no hydrogen 2.854 N/A LEU 58.A N ASP 57.A OD1 no hydrogen 2.836 N/A LEU 61.A N THR 105.A O no hydrogen 2.843 N/A LEU 66.A N PRO 62.A O no hydrogen 3.152 N/A GLU 67.A N LYS 63.A O no hydrogen 3.095 N/A ASP 68.A N GLY 64.A O no hydrogen 3.037 N/A VAL 69.A N LEU 65.A O no hydrogen 3.163 N/A VAL 69.A N LEU 66.A O no hydrogen 3.203 N/A HIS 70.A NE2 GLU 85.A OE1 no hydrogen 3.183 N/A GLN 71.A N GLU 85.A O no hydrogen 2.836 N/A GLN 71.A NE2 GLU 85.A OE2 no hydrogen 3.118 N/A LYS 72.A N VAL 69.A O no hydrogen 3.156 N/A LYS 72.A NZ ASP 68.A O no hydrogen 3.236 N/A SER 73.A OG CYS 87.A O no hydrogen 3.392 N/A TYR 74.A N GLN 40.A O no hydrogen 2.941 N/A ILE 75.A N THR 82.A O no hydrogen 2.822 N/A ARG 76.A NH2 HIS 79.A ND1 no hydrogen 3.570 N/A LYS 77.A N GLU 80.A O no hydrogen 2.957 N/A ARG 81.A NE ASP 39.A OD1 no hydrogen 2.598 N/A ARG 81.A NH2 ASP 39.A OD1 no hydrogen 2.527 N/A THR 82.A N ILE 75.A O no hydrogen 2.574 N/A THR 82.A OG1 GLU 80.A O no hydrogen 3.107 N/A LYS 83.A NZ GLN 71.A OE1 no hydrogen 3.447 N/A LEU 84.A N SER 73.A O no hydrogen 2.972 N/A CYS 87.A SG VAL 99.A O no hydrogen 3.447 N/A PHE 88.A N VAL 99.A O no hydrogen 2.881 N/A VAL 89.A N PRO 42.A O no hydrogen 2.903 N/A VAL 90.A N LEU 97.A O no hydrogen 2.775 N/A THR 91.A N LEU 44.A O no hydrogen 2.992 N/A THR 91.A OG1 GLY 95.A O no hydrogen 2.682 N/A ASP 92.A N GLY 95.A O no hydrogen 3.403 N/A GLY 93.A N THR 91.A OG1 no hydrogen 2.955 N/A ILE 94.A N ASP 92.A OD1 no hydrogen 2.962 N/A GLY 95.A N ASP 92.A OD1 no hydrogen 2.776 N/A LEU 97.A N VAL 90.A O no hydrogen 2.877 N/A ALA 98.A N SER 111.A O no hydrogen 2.724 N/A VAL 99.A N PHE 88.A O no hydrogen 2.726 N/A ASP 100.A N ARG 109.A O no hydrogen 2.988 N/A THR 101.A N TYR 86.A O no hydrogen 2.974 N/A THR 101.A OG1 TYR 86.A O no hydrogen 3.511 N/A THR 101.A OG1 TYR 104.A O no hydrogen 2.873 N/A ILE 102.A N ASP 100.A OD1 no hydrogen 2.877 N/A GLY 103.A N THR 101.A OG1 no hydrogen 3.265 N/A TYR 104.A N THR 101.A O no hydrogen 2.679 N/A THR 105.A OG1 GLU 60.A OE1 no hydrogen 2.808 N/A VAL 108.A N ILE 106.A O no hydrogen 2.736 N/A ARG 109.A N ASP 100.A O no hydrogen 2.923 N/A ARG 109.A NE GLU 15.A OE2 no hydrogen 2.713 N/A ARG 109.A NH2 GLU 15.A OE2 no hydrogen 3.234 N/A LYS 110.A N PHE 14.A O no hydrogen 3.104 N/A LYS 110.A NZ GLU 17.A O no hydrogen 2.914 N/A LYS 110.A NZ ILE 54.A O no hydrogen 3.125 N/A LYS 110.A NZ GLU 55.A O no hydrogen 2.967 N/A LYS 110.A NZ ASP 57.A O no hydrogen 2.747 N/A SER 111.A N ALA 98.A O no hydrogen 2.829 N/A SER 111.A OG ARG 112.A O no hydrogen 2.752 N/A ARG 112.A NE VAL 23.A O no hydrogen 3.044 N/A ARG 112.A NH1 GLU 55.A OE2 no hydrogen 2.871 N/A ARG 112.A NH1 ILE 96.A O no hydrogen 3.267 N/A ARG 112.A NH2 GLY 20.A O no hydrogen 3.273 N/A ARG 112.A NH2 GLU 55.A OE2 no hydrogen 2.925 N/A GLN 117.A N ILE 114.A O no hydrogen 3.046 N/A GLN 117.A NE2 ASP 8.A O no hydrogen 2.957 N/A GLU 118.A N ILE 114.A O no hydrogen 3.002 N/A GLN 119.A N PRO 115.A O no hydrogen 3.015 N/A LEU 120.A N ARG 116.A O no hydrogen 3.051 N/A VAL 121.A N GLN 117.A O no hydrogen 2.892 N/A TYR 122.A N GLU 118.A O no hydrogen 2.898 N/A TYR 122.A OH ILE 94.A O no hydrogen 2.291 N/A GLU 123.A N GLN 119.A O no hydrogen 3.027 N/A MET 124.A N LEU 120.A O no hydrogen 2.915 N/A VAL 125.A N VAL 121.A O no hydrogen 2.925 N/A GLU 131.A N ARG 45.A O no hydrogen 2.756 N/A THR 132.A OG1 GLU 131.A OE1 no hydrogen 3.302 N/A TYR 133.A N GLU 131.A OE1 no hydrogen 2.789 N/A TYR 133.A OH ASP 68.A OD2 no hydrogen 2.678 N/A PHE 135.A N THR 132.A O no hydrogen 3.340 N/A HIS 140.A N SER 143.A O no hydrogen 3.160 N/A LEU 142.A N HIS 140.A ND1 no hydrogen 3.099 N/A SER 143.A N HIS 140.A O no hydrogen 2.973 N/A HIS 148.A N ALA 145.A O no hydrogen 2.978 N/A VAL 149.A N PRO 146.A O no hydrogen 3.095 N/A LEU 152.A N VAL 149.A O no hydrogen 3.240 N/A THR 153.A N GLU 156.A OE1 no hydrogen 3.101 N/A ARG 154.A NH1 GLU 28.A O no hydrogen 3.022 N/A ARG 154.A NH1 ASP 33.A OD2 no hydrogen 2.756 N/A ARG 154.A NH2 ASP 33.A OD1 no hydrogen 3.013 N/A GLU 156.A N THR 153.A OG1 no hydrogen 3.235 N/A ARG 157.A N THR 153.A O no hydrogen 2.881 N/A ARG 157.A NH1 GLU 28.A OE2 no hydrogen 3.048 N/A ARG 157.A NH1 LEU 152.A O no hydrogen 3.389 N/A ARG 157.A NH2 GLU 28.A OE1 no hydrogen 3.478 N/A ARG 157.A NH2 GLU 28.A OE2 no hydrogen 3.341 N/A GLN 158.A N ARG 154.A O no hydrogen 3.103 N/A GLN 158.A NE2 GLN 158.A O no hydrogen 3.099 N/A ILE 159.A N LYS 155.A O no hydrogen 2.984 N/A LYS 160.A N GLU 156.A O no hydrogen 2.844 N/A LYS 160.A NZ HIS 148.A O no hydrogen 2.679 N/A LYS 160.A NZ ILE 211.A O no hydrogen 2.805 N/A LYS 160.A NZ GLY 213.A O no hydrogen 2.581 N/A GLN 161.A N ARG 157.A O no hydrogen 2.935 N/A GLN 161.A NE2 ILE 141.A O no hydrogen 2.987 N/A GLN 161.A NE2 GLN 161.A O no hydrogen 2.820 N/A LEU 162.A N GLN 158.A O no hydrogen 3.036 N/A MET 163.A N ILE 159.A O no hydrogen 2.878 N/A PHE 164.A N LYS 160.A O no hydrogen 3.067 N/A MET 165.A N GLN 161.A O no hydrogen 2.820 N/A ALA 166.A N LEU 162.A O no hydrogen 2.946 N/A LEU 167.A N MET 163.A O no hydrogen 2.921 N/A ASP 168.A N PHE 164.A O no hydrogen 2.944 N/A GLN 169.A N MET 165.A O no hydrogen 2.955 N/A GLN 169.A NE2 GLN 229.A OE1 no hydrogen 2.901 N/A LEU 170.A N ALA 166.A O no hydrogen 2.886 N/A LYS 171.A N LEU 167.A O no hydrogen 3.072 N/A LYS 171.A N ASP 168.A O no hydrogen 3.128 N/A GLY 172.A N ASP 168.A O no hydrogen 3.436 N/A LEU 173.A N GLN 169.A O no hydrogen 3.311 N/A LYS 174.A N LYS 171.A O no hydrogen 3.106 N/A ARG 176.A NE MET 197.A O no hydrogen 2.862 N/A ARG 176.A NH2 MET 197.A O no hydrogen 3.248 N/A GLU 178.A N ASN 175.A OD1 no hydrogen 2.526 N/A ILE 179.A N ASN 175.A O no hydrogen 3.098 N/A GLY 180.A N ARG 176.A O no hydrogen 2.951 N/A TYR 181.A N ALA 177.A O no hydrogen 3.049 N/A TRP 182.A N GLU 178.A O no hydrogen 3.089 N/A TYR 183.A N ILE 179.A O no hydrogen 2.963 N/A TYR 183.A OH GLU 209.A OE1 no hydrogen 3.413 N/A TYR 183.A OH GLU 209.A OE2 no hydrogen 2.648 N/A THR 184.A N GLY 180.A O no hydrogen 3.058 N/A THR 184.A OG1 GLY 180.A O no hydrogen 2.801 N/A GLU 185.A N TYR 181.A O no hydrogen 2.916 N/A TRP 186.A N TRP 182.A O no hydrogen 3.139 N/A ASN 187.A N TYR 183.A O no hydrogen 2.626 N/A ASN 187.A ND2 GLU 209.A OE1 no hydrogen 3.084 N/A HIS 189.A N ASN 187.A OD1 no hydrogen 3.234 N/A ILE 194.A N MET 190.A O no hydrogen 3.131 N/A ARG 196.A NH1 GLN 193.A O no hydrogen 3.403 N/A MET 197.A N ILE 194.A O no hydrogen 3.082 N/A SER 198.A N GLU 201.A OE1 no hydrogen 3.105 N/A SER 198.A OG GLU 200.A OE1 no hydrogen 3.370 N/A GLU 200.A N GLU 200.A OE1 no hydrogen 3.260 N/A GLU 201.A N SER 198.A OG no hydrogen 3.233 N/A ILE 202.A N SER 198.A O no hydrogen 3.183 N/A TRP 203.A N PHE 199.A O no hydrogen 2.938 N/A TRP 203.A NE1 LEU 167.A O no hydrogen 2.883 N/A ASP 204.A N GLU 200.A O no hydrogen 3.058 N/A MET 205.A N GLU 201.A O no hydrogen 3.172 N/A LEU 206.A N ILE 202.A O no hydrogen 2.930 N/A TYR 207.A N TRP 203.A O no hydrogen 2.920 N/A ASN 208.A N ASP 204.A O no hydrogen 2.839 N/A GLU 209.A N MET 205.A O no hydrogen 2.987 N/A THR 210.A N TYR 207.A O no hydrogen 3.197 N/A THR 210.A OG1 LEU 206.A O no hydrogen 2.760 N/A THR 210.A OG1 TYR 207.A O no hydrogen 3.181 N/A ILE 211.A N TYR 207.A O no hydrogen 2.996 N/A SER 215.A OG HIS 218.A ND1 no hydrogen 2.806 N/A LYS 217.A NZ TRP 186.A O no hydrogen 2.678 N/A HIS 218.A N SER 215.A OG no hydrogen 3.048 N/A HIS 218.A ND1 SER 215.A OG no hydrogen 2.806 N/A HIS 218.A NE2 THR 210.A O no hydrogen 2.845 N/A LEU 219.A N SER 215.A O no hydrogen 2.987 N/A ALA 220.A N ASP 216.A O no hydrogen 2.887 N/A PHE 221.A N LYS 217.A O no hydrogen 2.911 N/A CYS 222.A N HIS 218.A O no hydrogen 2.869 N/A CYS 222.A SG ILE 159.A O no hydrogen 3.898 N/A GLU 223.A N LEU 219.A O no hydrogen 3.106 N/A ASN 224.A N ALA 220.A O no hydrogen 3.267 N/A LEU 225.A N PHE 221.A O no hydrogen 2.851 N/A ILE 226.A N CYS 222.A O no hydrogen 3.201 N/A LYS 227.A N ASN 224.A O no hydrogen 3.132 N/A GLY 228.A N GLU 233.A OE2 no hydrogen 3.159 N/A GLN 229.A N ILE 226.A O no hydrogen 3.084 N/A GLU 233.A N GLN 229.A O no hydrogen 2.835 N/A LYS 234.A N PRO 230.A O no hydrogen 2.885 N/A LEU 235.A N PHE 231.A O no hydrogen 3.170 N/A TRP 236.A N PHE 232.A O no hydrogen 2.920 N/A GLU 237.A N GLU 233.A O no hydrogen 2.922 N/A MET 238.A N LYS 234.A O no hydrogen 3.096 N/A GLU 239.A N TRP 236.A O no hydrogen 3.165 N/A ASN 240.A ND2 TRP 236.A O no hydrogen 2.796 N/A