Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3e12_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ LYS 33.A O no hydrogen 3.482 N/A LYS 2.A NZ VAL 35.A O no hydrogen 3.467 N/A LEU 4.A N ASP 211.A O no hydrogen 3.071 N/A VAL 5.A N GLU 36.A O no hydrogen 2.916 N/A ILE 6.A N VAL 213.A O no hydrogen 2.887 N/A ALA 7.A N VAL 38.A O no hydrogen 3.005 N/A CYS 10.A N GLN 231.A OE1.A no hydrogen 2.894 N/A CYS 10.A SG GLU 216.A OE2 no hydrogen 3.909 N/A CYS 10.A SG SER 226.A OG.A no hydrogen 3.225 N/A CYS 10.A SG SER 226.A OG.B no hydrogen 3.405 N/A CYS 10.A SG ASP 227.A OD2 no hydrogen 3.065 N/A ILE 12.A N SER 42.A O no hydrogen 3.032 N/A GLU 13.A N ALA 11.A O no hydrogen 2.894 N/A GLU 15.A N TYR 61.A OH no hydrogen 2.968 N/A LEU 17.A N SER 14.A OG no hydrogen 2.986 N/A LEU 18.A N SER 14.A O no hydrogen 3.340 N/A LEU 19.A N GLU 15.A O no hydrogen 3.067 N/A LYS 20.A N GLU 16.A O no hydrogen 3.095 N/A VAL 21.A N LEU 17.A O no hydrogen 3.042 N/A GLY 22.A N LEU 18.A O no hydrogen 2.747 N/A GLU 23.A N LEU 19.A O no hydrogen 2.933 N/A GLU 24.A N LYS 20.A O no hydrogen 3.498 N/A ILE 25.A N VAL 21.A O no hydrogen 2.971 N/A LYS 26.A N GLY 22.A O no hydrogen 2.822 N/A LYS 26.A NZ GLU 30.A OE2 no hydrogen 3.505 N/A LYS 26.A NZ PHE 73.A O no hydrogen 2.949 N/A ARG 27.A N GLU 23.A O no hydrogen 2.996 N/A ARG 27.A NE GLU 24.A OE1 no hydrogen 2.901 N/A ARG 27.A NH2 GLU 24.A OE2 no hydrogen 2.783 N/A ARG 27.A NH2 GLU 238.A OE1 no hydrogen 2.763 N/A LEU 28.A N GLU 24.A O no hydrogen 2.914 N/A SER 29.A N ILE 25.A O no hydrogen 2.854 N/A SER 29.A OG LYS 26.A O no hydrogen 2.694 N/A GLU 30.A N LYS 26.A O no hydrogen 3.175 N/A GLU 30.A N ARG 27.A O no hydrogen 3.214 N/A LYS 31.A N ARG 27.A O no hydrogen 3.287 N/A PHE 32.A N LEU 28.A O no hydrogen 2.767 N/A LYS 33.A NZ GLU 30.A O no hydrogen 2.755 N/A GLU 34.A N GLU 34.A OE1 no hydrogen 2.713 N/A VAL 35.A N PHE 32.A O no hydrogen 3.175 N/A GLU 36.A N PHE 3.A O no hydrogen 2.872 N/A VAL 38.A N VAL 5.A O no hydrogen 2.880 N/A PHE 39.A N LYS 76.A O no hydrogen 2.786 N/A LYS 40.A N ALA 7.A O no hydrogen 2.895 N/A LYS 40.A NZ CYS 10.A O no hydrogen 2.989 N/A LYS 40.A NZ SER 42.A OG no hydrogen 3.062 N/A LYS 40.A NZ GLU 216.A OE2 no hydrogen 2.642 N/A SER 41.A OG PRO 9.A O no hydrogen 2.820 N/A SER 42.A N CYS 10.A O no hydrogen 2.965 N/A SER 42.A OG CYS 10.A O no hydrogen 3.376 N/A SER 42.A OG ASP 80.A OD1 no hydrogen 2.664 N/A LYS 45.A N ARG 55.A O no hydrogen 2.877 N/A LYS 45.A NZ SER 42.A OG no hydrogen 3.203 N/A ARG 48.A NH1 PHE 54.A O no hydrogen 2.930 N/A ARG 48.A NH1 LEU 225.A O no hydrogen 3.011 N/A HIS 52.A N SER 50.A OG no hydrogen 2.910 N/A SER 53.A N SER 50.A O no hydrogen 3.228 N/A ARG 55.A NE ASP 44.A OD1 no hydrogen 3.068 N/A ARG 55.A NH2 ASP 44.A OD1 no hydrogen 3.461 N/A ARG 55.A NH2 ASP 44.A OD2 no hydrogen 2.751 N/A GLY 62.A N GLY 58.A O no hydrogen 3.060 N/A VAL 63.A N LEU 59.A O no hydrogen 2.929 N/A LYS 64.A N GLU 60.A O no hydrogen 3.154 N/A ALA 65.A N TYR 61.A O no hydrogen 2.922 N/A LEU 66.A N GLY 62.A O no hydrogen 2.838 N/A ARG 67.A N VAL 63.A O no hydrogen 2.771 N/A LYS 68.A N LYS 64.A O no hydrogen 3.003 N/A LYS 68.A NZ GLU 71.A OE2.A no hydrogen 2.806 N/A VAL 69.A N ALA 65.A O no hydrogen 3.170 N/A LYS 70.A N LEU 66.A O no hydrogen 2.977 N/A LYS 70.A NZ VAL 93.A O no hydrogen 2.737 N/A LYS 70.A NZ ASP 95.A OD2 no hydrogen 2.966 N/A GLU 71.A N ARG 67.A O no hydrogen 2.872 N/A GLU 72.A N LYS 68.A O no hydrogen 2.905 N/A PHE 73.A N VAL 69.A O no hydrogen 2.957 N/A GLY 74.A N LYS 70.A O no hydrogen 2.846 N/A ILE 77.A N ASP 95.A OD2 no hydrogen 2.834 N/A THR 78.A N PHE 39.A O no hydrogen 2.813 N/A THR 78.A OG1 ILE 96.A O no hydrogen 2.655 N/A THR 79.A OG1 SER 41.A O no hydrogen 2.606 N/A ILE 81.A N GLN 98.A O no hydrogen 3.055 N/A HIS 82.A N GLN 86.A OE1 no hydrogen 2.776 N/A GLU 83.A N GLN 86.A OE1 no hydrogen 3.445 N/A TRP 85.A NE1 GLU 83.A OE2 no hydrogen 3.215 N/A GLN 86.A N GLU 83.A O no hydrogen 3.021 N/A ALA 87.A N SER 84.A O no hydrogen 3.133 N/A VAL 90.A N GLN 86.A O no hydrogen 3.073 N/A ALA 91.A N ALA 87.A O no hydrogen 2.850 N/A GLU 92.A N PRO 89.A O no hydrogen 3.180 N/A VAL 93.A N VAL 90.A O no hydrogen 3.039 N/A ALA 94.A N VAL 90.A O no hydrogen 2.923 N/A ASP 95.A N ILE 77.A O no hydrogen 2.808 N/A ILE 96.A N ILE 77.A O no hydrogen 3.209 N/A ILE 97.A N ALA 119.A O no hydrogen 2.776 N/A GLN 98.A N THR 79.A O no hydrogen 2.947 N/A ILE 99.A N ASN 121.A O no hydrogen 2.851 N/A LEU 103.A N PRO 100.A O no hydrogen 2.943 N/A CYS 104.A N ALA 101.A O no hydrogen 3.304 N/A CYS 104.A SG ALA 101.A O no hydrogen 3.312 N/A GLN 106.A N LEU 103.A O no hydrogen 3.009 N/A LEU 110.A N GLN 106.A O no hydrogen 3.148 N/A LEU 111.A N THR 107.A O no hydrogen 2.906 N/A ALA 112.A N ASP 108.A O no hydrogen 2.890 N/A ALA 113.A N LEU 109.A O no hydrogen 3.015 N/A ALA 114.A N LEU 110.A O no hydrogen 2.940 N/A LYS 115.A N LEU 111.A O no hydrogen 3.136 N/A THR 116.A N ALA 113.A O no hydrogen 3.241 N/A THR 116.A OG1 ALA 113.A O no hydrogen 2.743 N/A GLY 117.A N ALA 114.A O no hydrogen 3.377 N/A ARG 118.A N THR 116.A OG1 no hydrogen 3.036 N/A ARG 118.A NE.A ALA 91.A O no hydrogen 2.877 N/A ARG 118.A NE.B ALA 91.A O no hydrogen 2.953 N/A ARG 118.A NH2.A ALA 91.A O no hydrogen 2.905 N/A ARG 118.A NH2.B ALA 91.A O no hydrogen 3.286 N/A ALA 119.A N ASP 95.A O no hydrogen 3.179 N/A VAL 120.A N GLU 147.A O no hydrogen 2.949 N/A ASN 121.A N ILE 97.A O no hydrogen 2.875 N/A VAL 122.A N TYR 149.A O no hydrogen 2.961 N/A LYS 123.A N ILE 99.A O no hydrogen 2.994 N/A LYS 123.A NZ ASP 181.A OD2 no hydrogen 2.718 N/A LYS 123.A NZ HIS 184.A ND1 no hydrogen 3.547 N/A LYS 124.A N THR 151.A O no hydrogen 2.813 N/A LYS 124.A NZ GLU 152.A OE1 no hydrogen 2.635 N/A LYS 124.A NZ GLU 152.A OE2 no hydrogen 3.491 N/A GLN 126.A N GLN 126.A OE1 no hydrogen 2.653 N/A LEU 128.A N GLY 125.A O no hydrogen 3.000 N/A ASP 132.A N ALA 129.A O no hydrogen 2.903 N/A THR 133.A N PRO 130.A O no hydrogen 3.203 N/A THR 133.A OG1 PRO 130.A O no hydrogen 2.736 N/A LYS 134.A N TRP 131.A O no hydrogen 3.430 N/A VAL 137.A N THR 133.A O no hydrogen 3.072 N/A GLU 138.A N LYS 134.A O no hydrogen 2.989 N/A LYS 139.A N ASN 135.A O no hydrogen 3.021 N/A LYS 139.A NZ THR 107.A OG1 no hydrogen 2.871 N/A LEU 140.A N VAL 136.A O no hydrogen 3.143 N/A LYS 141.A N VAL 137.A O no hydrogen 2.887 N/A PHE 142.A N GLU 138.A O no hydrogen 2.896 N/A GLY 143.A N LYS 139.A O no hydrogen 3.010 N/A GLY 144.A N LYS 141.A O no hydrogen 3.103 N/A ALA 145.A N LEU 140.A O no hydrogen 2.963 N/A TYR 149.A N VAL 120.A O no hydrogen 2.842 N/A TYR 149.A OH GLU 147.A OE1.A no hydrogen 2.608 N/A LEU 150.A N LYS 177.A O no hydrogen 2.855 N/A THR 151.A N VAL 122.A O no hydrogen 2.885 N/A THR 151.A OG1 ASN 121.A OD1 no hydrogen 2.653 N/A GLU 152.A N ILE 179.A O no hydrogen 2.842 N/A ARG 153.A NH1 ARG 153.A O no hydrogen 2.926 N/A GLY 154.A N GLU 152.A OE2 no hydrogen 2.744 N/A THR 155.A N VAL 163.A O no hydrogen 2.804 N/A THR 156.A N GLN 126.A O no hydrogen 3.014 N/A THR 156.A OG1 GLN 126.A O no hydrogen 3.421 N/A PHE 157.A N ASN 161.A O no hydrogen 3.127 N/A VAL 163.A N THR 155.A O no hydrogen 3.010 N/A ARG 167.A N ASP 165.A OD1 no hydrogen 3.158 N/A ARG 167.A NE ASP 165.A OD1 no hydrogen 2.926 N/A ARG 167.A NE ASP 165.A OD2 no hydrogen 3.292 N/A ARG 167.A NH2 ASP 165.A OD2 no hydrogen 2.899 N/A SER 168.A N ASP 165.A O no hydrogen 2.886 N/A SER 168.A OG GLU 152.A OE1 no hydrogen 2.674 N/A SER 168.A OG ASP 165.A O no hydrogen 3.220 N/A LEU 169.A N PHE 166.A O no hydrogen 3.180 N/A ILE 171.A N ARG 167.A O no hydrogen 3.320 N/A MET 172.A N SER 168.A O no hydrogen 2.873 N/A LYS 173.A N LEU 169.A O no hydrogen 3.118 N/A GLN 174.A N ILE 171.A O no hydrogen 3.211 N/A TRP 175.A N MET 172.A O no hydrogen 2.998 N/A ALA 176.A N MET 172.A O no hydrogen 3.175 N/A VAL 178.A N ASP 211.A OD2 no hydrogen 2.876 N/A ILE 179.A N LEU 150.A O no hydrogen 2.844 N/A TYR 180.A N GLY 212.A O no hydrogen 2.954 N/A ASP 181.A N GLU 152.A O no hydrogen 2.921 N/A ALA 182.A N PHE 214.A O no hydrogen 2.831 N/A THR 183.A N ASP 181.A OD1 no hydrogen 2.994 N/A HIS 184.A N ASP 181.A OD1 no hydrogen 2.890 N/A HIS 184.A ND1 ASP 181.A OD2 no hydrogen 2.816 N/A HIS 184.A NE2 ASP 227.A OD2 no hydrogen 2.809 N/A SER 185.A OG ASP 181.A O no hydrogen 2.640 N/A GLN 187.A N HIS 184.A O no hydrogen 3.306 N/A GLN 187.A NE2.A ASP 227.A OD1 no hydrogen 2.483 N/A GLY 191.A N LEU 188.A O no hydrogen 3.375 N/A ARG 195.A NE GLN 231.A O no hydrogen 3.131 N/A ARG 195.A NH2 ALA 228.A O no hydrogen 2.756 N/A ARG 195.A NH2 GLN 231.A O no hydrogen 2.925 N/A PHE 197.A N MET 194.A O no hydrogen 2.894 N/A ILE 198.A N ARG 195.A O no hydrogen 3.132 N/A LEU 201.A N PHE 197.A O no hydrogen 3.179 N/A ILE 202.A N ILE 198.A O no hydrogen 3.043 N/A ARG 203.A N PHE 199.A O no hydrogen 3.030 N/A ALA 204.A N PRO 200.A O no hydrogen 3.080 N/A ALA 205.A N LEU 201.A O no hydrogen 2.972 N/A VAL 206.A N ILE 202.A O no hydrogen 3.093 N/A ALA 207.A N ARG 203.A O no hydrogen 3.022 N/A VAL 208.A N ALA 204.A O no hydrogen 2.900 N/A GLY 209.A N ALA 205.A O no hydrogen 2.893 N/A CYS 210.A SG ALA 205.A O no hydrogen 3.815 N/A CYS 210.A SG GLY 212.A O no hydrogen 3.435 N/A ASP 211.A N VAL 178.A O no hydrogen 2.837 N/A VAL 213.A N LEU 4.A O no hydrogen 2.946 N/A PHE 214.A N TYR 180.A O no hydrogen 2.807 N/A MET 215.A N ILE 6.A O no hydrogen 2.826 N/A GLU 216.A N THR 183.A OG1 no hydrogen 2.849 N/A THR 217.A N GLY 8.A O no hydrogen 2.854 N/A THR 217.A OG1 LEU 232.A O no hydrogen 2.902 N/A HIS 218.A N LEU 232.A O no hydrogen 3.018 N/A HIS 218.A NE2 GLU 13.A OE1 no hydrogen 2.979 N/A GLU 220.A N HIS 218.A ND1 no hydrogen 2.991 N/A LYS 223.A N GLU 220.A O no hydrogen 2.891 N/A LYS 223.A NZ GLU 220.A OE1 no hydrogen 3.221 N/A ALA 224.A N PRO 221.A O no hydrogen 2.840 N/A LEU 225.A N GLU 13.A OE2 no hydrogen 2.922 N/A THR 230.A N ASP 227.A O no hydrogen 3.262 N/A THR 230.A OG1 GLN 187.A OE1.A no hydrogen 3.084 N/A GLN 231.A N ASP 227.A O no hydrogen 3.191 N/A GLN 231.A NE2.A SER 226.A O no hydrogen 2.882 N/A GLN 231.A NE2.B ASP 227.A O no hydrogen 2.905 N/A LEU 232.A N GLU 216.A O no hydrogen 2.910 N/A LEU 234.A N HIS 218.A O no hydrogen 3.048 N/A GLN 236.A N PRO 233.A O no hydrogen 2.914 N/A LEU 237.A N LEU 234.A O no hydrogen 3.174 N/A ILE 240.A N GLN 236.A O no hydrogen 3.255 N/A ILE 241.A N LEU 237.A O no hydrogen 2.936 N/A GLU 242.A N GLU 238.A O no hydrogen 2.921 N/A ALA 243.A N GLY 239.A O no hydrogen 3.030 N/A ILE 244.A N.A ILE 240.A O no hydrogen 2.948 N/A ILE 244.A N.B ILE 240.A O no hydrogen 2.865 N/A LEU 245.A N ILE 241.A O no hydrogen 3.040 N/A GLU 246.A N GLU 242.A O no hydrogen 2.957 N/A ILE 247.A N ALA 243.A O no hydrogen 2.952 N/A ARG 248.A N ILE 244.A O.A no hydrogen 2.920 N/A ARG 248.A N ILE 244.A O.B no hydrogen 2.898 N/A ARG 248.A NH2 GLU 1.A O no hydrogen 2.787 N/A GLU 249.A N LEU 245.A O no hydrogen 3.009 N/A VAL 250.A N GLU 246.A O no hydrogen 3.199 N/A ALA 251.A N ILE 247.A O no hydrogen 2.929 N/A SER 252.A N GLU 249.A O no hydrogen 3.348 N/A SER 252.A OG GLU 249.A O no hydrogen 2.746 N/A TYR 254.A N ALA 251.A O no hydrogen 2.905 N/A TYR 255.A N SER 252.A O no hydrogen 3.164 N/A TYR 255.A OH VAL 206.A O no hydrogen 2.573 N/A GLU 256.A N GLU 256.A OE1 no hydrogen 2.809 N/A