Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3ie3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 4.A N GLN 56.A O no hydrogen 2.901 N/A VAL 5.A N LYS 29.A O no hydrogen 2.789 N/A VAL 6.A N LYS 54.A O no hydrogen 2.812 N/A TYR 7.A N GLU 31.A O no hydrogen 3.101 N/A VAL 10.A N.A PHE 8.A O no hydrogen 2.737 N/A VAL 10.A N.B PHE 8.A O no hydrogen 2.741 N/A ARG 11.A N PRO 202.A O no hydrogen 2.890 N/A ARG 11.A NE TYR 198.A O no hydrogen 3.061 N/A ARG 11.A NE LEU 201.A O no hydrogen 2.942 N/A ARG 11.A NH2 TYR 198.A O no hydrogen 3.361 N/A ARG 11.A NH2 VAL 199.A O no hydrogen 3.214 N/A GLY 12.A N ILE 203.A O no hydrogen 2.845 N/A ARG 13.A N TYR 7.A OH no hydrogen 2.975 N/A ARG 13.A NH1 SER 65.A OG no hydrogen 3.328 N/A ARG 13.A NH1 GLU 97.A OE1 no hydrogen 2.853 N/A ARG 13.A NH1 GLU 97.A OE2 no hydrogen 3.383 N/A ARG 13.A NH2 GLU 97.A OE2 no hydrogen 3.121 N/A CYS 14.A N ARG 11.A O no hydrogen 2.989 N/A ARG 18.A N CYS 14.A O no hydrogen 2.973 N/A ARG 18.A NE GLU 30.A OE2 no hydrogen 2.725 N/A ARG 18.A NH1 VAL 10.A O.A no hydrogen 2.936 N/A ARG 18.A NH1 VAL 10.A O.B no hydrogen 2.992 N/A ARG 18.A NH2 GLU 30.A OE1 no hydrogen 2.976 N/A MET 19.A N ALA 15.A O no hydrogen 3.000 N/A LEU 20.A N ALA 16.A O no hydrogen 2.966 N/A LEU 21.A N LEU 17.A O no hydrogen 3.011 N/A ALA 22.A N ARG 18.A O no hydrogen 2.896 N/A ASP 23.A N MET 19.A O no hydrogen 2.873 N/A GLN 24.A N LEU 20.A O no hydrogen 2.972 N/A GLN 24.A NE2 TYR 153.A OH no hydrogen 2.993 N/A GLY 25.A N ALA 22.A O no hydrogen 3.142 N/A GLN 26.A N LEU 21.A O no hydrogen 2.924 N/A GLN 26.A NE2 GLN 24.A O no hydrogen 3.264 N/A TRP 28.A NE1 GLU 30.A OE2 no hydrogen 2.774 N/A LYS 29.A N TYR 3.A O no hydrogen 2.938 N/A LYS 29.A NZ GLU 31.A OE2 no hydrogen 2.942 N/A GLU 31.A N VAL 5.A O no hydrogen 2.758 N/A VAL 33.A N TYR 7.A O no hydrogen 2.873 N/A THR 34.A OG1 THR 37.A OG1 no hydrogen 2.974 N/A THR 37.A N THR 34.A OG1 no hydrogen 3.199 N/A THR 37.A OG1 THR 34.A OG1 no hydrogen 2.974 N/A TRP 38.A N THR 34.A O no hydrogen 3.049 N/A GLN 39.A N VAL 35.A O no hydrogen 2.942 N/A GLU 40.A N GLU 36.A O no hydrogen 2.911 N/A SER 42.A N GLU 40.A OE1 no hydrogen 2.962 N/A SER 42.A OG GLU 40.A OE1 no hydrogen 2.630 N/A LYS 44.A NZ GLY 50.A O no hydrogen 2.750 N/A ALA 45.A N GLY 41.A O no hydrogen 2.938 N/A SER 46.A N SER 42.A O no hydrogen 3.154 N/A SER 46.A N LEU 43.A O no hydrogen 3.006 N/A SER 46.A OG LEU 43.A O no hydrogen 2.684 N/A CYS 47.A N LYS 44.A O no hydrogen 3.147 N/A CYS 47.A SG LEU 43.A O no hydrogen 3.322 N/A CYS 47.A SG GLN 51.A O no hydrogen 3.700 N/A GLY 50.A N CYS 47.A O no hydrogen 2.989 N/A LYS 54.A N VAL 6.A O no hydrogen 3.066 N/A PHE 55.A N LEU 62.A O no hydrogen 2.837 N/A GLN 56.A N THR 4.A O no hydrogen 2.934 N/A ASP 57.A N LEU 60.A O no hydrogen 2.899 N/A GLY 58.A N PRO 2.A O no hydrogen 2.940 N/A LEU 60.A N ASP 57.A O no hydrogen 3.069 N/A LEU 62.A N PHE 55.A O no hydrogen 2.750 N/A ASN 66.A ND2 GLU 97.A OE1 no hydrogen 3.020 N/A ILE 68.A N GLN 64.A O no hydrogen 3.030 N/A LEU 69.A N SER 65.A O no hydrogen 2.995 N/A ARG 70.A N ASN 66.A O no hydrogen 2.927 N/A ARG 70.A NE TYR 79.A OH no hydrogen 3.156 N/A ARG 70.A NE ASP 90.A OD1 no hydrogen 2.892 N/A ARG 70.A NH2 ASP 90.A OD1 no hydrogen 3.096 N/A ARG 70.A NH2 ASP 94.A OD1 no hydrogen 3.177 N/A HIS 71.A N THR 67.A O no hydrogen 2.865 N/A HIS 71.A NE2 ASP 57.A OD2 no hydrogen 2.778 N/A LEU 72.A N ILE 68.A O no hydrogen 3.007 N/A GLY 73.A N LEU 69.A O no hydrogen 2.780 N/A ARG 74.A N ARG 70.A O no hydrogen 2.860 N/A THR 75.A N HIS 71.A O no hydrogen 2.990 N/A THR 75.A OG1 HIS 71.A O no hydrogen 2.995 N/A THR 75.A OG1 LEU 72.A O no hydrogen 3.296 N/A LEU 76.A N LEU 72.A O no hydrogen 2.884 N/A LEU 78.A N GLY 73.A O no hydrogen 2.661 N/A TYR 79.A OH ASP 90.A OD1 no hydrogen 2.574 N/A TYR 79.A OH ASP 90.A OD2 no hydrogen 3.333 N/A LYS 81.A N GLU 85.A OE1 no hydrogen 2.996 N/A GLU 85.A N ASP 82.A OD1 no hydrogen 2.945 N/A ALA 86.A N ASP 82.A O no hydrogen 2.987 N/A ALA 87.A N GLN 83.A O no hydrogen 3.168 N/A LEU 88.A N GLN 84.A O no hydrogen 3.197 N/A VAL 89.A N GLU 85.A O no hydrogen 2.904 N/A ASP 90.A N ALA 86.A O no hydrogen 2.987 N/A MET 91.A N ALA 87.A O no hydrogen 2.920 N/A VAL 92.A N LEU 88.A O no hydrogen 3.087 N/A ASN 93.A N VAL 89.A O no hydrogen 2.976 N/A ASN 93.A ND2 ASN 66.A OD1 no hydrogen 2.968 N/A ASP 94.A N ASP 90.A O no hydrogen 2.899 N/A GLY 95.A N MET 91.A O no hydrogen 3.323 N/A VAL 96.A N VAL 92.A O no hydrogen 2.944 N/A GLU 97.A N ASN 93.A O no hydrogen 2.814 N/A ASP 98.A N ASP 94.A O no hydrogen 2.964 N/A LEU 99.A N GLY 95.A O no hydrogen 3.185 N/A ARG 100.A N VAL 96.A O no hydrogen 2.845 N/A ARG 100.A NH1 ASP 157.A OD2 no hydrogen 2.975 N/A ARG 100.A NH2 ASN 154.A O no hydrogen 3.496 N/A ARG 100.A NH2 ASN 154.A OD1 no hydrogen 2.862 N/A ARG 100.A NH2 ASP 157.A OD2 no hydrogen 2.936 N/A CYS 101.A N GLU 97.A O no hydrogen 2.897 N/A CYS 101.A SG GLU 97.A O no hydrogen 3.360 N/A CYS 101.A SG GLU 97.A OE2 no hydrogen 3.146 N/A LYS 102.A N ASP 98.A O no hydrogen 3.334 N/A LYS 102.A NZ GLN 125.A OE1 no hydrogen 3.201 N/A TYR 103.A N LEU 99.A O no hydrogen 2.837 N/A ALA 104.A N ARG 100.A O no hydrogen 2.817 N/A SER 105.A N CYS 101.A O no hydrogen 2.967 N/A SER 105.A OG THR 109.A OG1 no hydrogen 3.343 N/A LEU 106.A N LYS 102.A O no hydrogen 3.078 N/A ILE 107.A N TYR 103.A O no hydrogen 2.967 N/A TYR 108.A N ALA 104.A O no hydrogen 2.901 N/A THR 109.A N SER 105.A O no hydrogen 2.958 N/A THR 109.A OG1 SER 105.A O no hydrogen 2.502 N/A THR 109.A OG1 SER 105.A OG no hydrogen 3.343 N/A ASN 110.A N LEU 106.A O no hydrogen 3.127 N/A TYR 111.A OH GLN 209.A OXT no hydrogen 2.567 N/A GLY 114.A N ASN 110.A O no hydrogen 3.212 N/A LYS 115.A N TYR 111.A O no hydrogen 3.014 N/A LYS 115.A NZ TYR 111.A OH no hydrogen 2.789 N/A TYR 118.A N GLY 114.A O no hydrogen 2.924 N/A TYR 118.A OH HIS 162.A NE2 no hydrogen 2.750 N/A VAL 119.A N LYS 115.A O no hydrogen 2.852 N/A LYS 120.A N ASP 116.A O no hydrogen 3.075 N/A ALA 121.A N ASP 117.A O no hydrogen 3.030 N/A LEU 122.A N VAL 119.A O no hydrogen 3.320 N/A GLN 125.A N ALA 121.A O no hydrogen 3.340 N/A GLN 125.A N LEU 122.A O no hydrogen 2.944 N/A LEU 126.A N LEU 122.A O no hydrogen 2.948 N/A LEU 126.A N PRO 123.A O no hydrogen 3.210 N/A LYS 127.A N PRO 123.A O no hydrogen 2.954 N/A PHE 129.A N LEU 126.A O no hydrogen 3.062 N/A THR 131.A N LYS 127.A O no hydrogen 2.889 N/A THR 131.A OG1 LYS 127.A O no hydrogen 3.173 N/A LEU 132.A N PRO 128.A O no hydrogen 2.966 N/A LEU 133.A N PHE 129.A O no hydrogen 3.052 N/A SER 134.A N GLU 130.A O no hydrogen 2.906 N/A SER 134.A OG THR 131.A O no hydrogen 2.629 N/A GLN 135.A N THR 131.A O no hydrogen 3.128 N/A GLN 135.A N LEU 132.A O no hydrogen 3.270 N/A ASN 136.A N LEU 133.A O no hydrogen 3.072 N/A ASN 136.A ND2 PHE 142.A O no hydrogen 2.789 N/A ASN 136.A ND2 GLY 145.A O no hydrogen 2.958 N/A GLY 139.A N ASN 136.A O no hydrogen 3.033 N/A LYS 140.A N GLN 137.A O no hydrogen 3.203 N/A LYS 140.A NZ GLN 137.A O no hydrogen 2.824 N/A THR 141.A OG1 GLN 137.A OE1 no hydrogen 3.276 N/A THR 141.A OG1 GLY 145.A O no hydrogen 3.424 N/A ILE 143.A N ASP 152.A OD1 no hydrogen 2.909 N/A SER 149.A N ASP 152.A OD2 no hydrogen 2.808 N/A SER 149.A OG ASP 152.A OD2 no hydrogen 3.305 N/A PHE 150.A N LEU 78.A O no hydrogen 2.974 N/A ASP 152.A N SER 149.A O no hydrogen 3.027 N/A TYR 153.A OH ASP 23.A OD2 no hydrogen 2.608 N/A ASN 154.A N PHE 150.A O no hydrogen 3.161 N/A ASN 154.A ND2 ASN 93.A OD1 no hydrogen 2.866 N/A LEU 155.A N ALA 151.A O no hydrogen 2.817 N/A LEU 156.A N ASP 152.A O no hydrogen 2.783 N/A ASP 157.A N TYR 153.A O no hydrogen 3.097 N/A LEU 158.A N ASN 154.A O no hydrogen 3.074 N/A LEU 159.A N LEU 155.A O no hydrogen 2.899 N/A LEU 160.A N LEU 156.A O no hydrogen 2.926 N/A ILE 161.A N ASP 157.A O no hydrogen 2.984 N/A HIS 162.A N LEU 158.A O no hydrogen 3.196 N/A HIS 162.A ND1 LEU 158.A O no hydrogen 2.708 N/A HIS 162.A NE2 TYR 118.A OH no hydrogen 2.750 N/A GLU 163.A N LEU 159.A O no hydrogen 3.046 N/A VAL 164.A N LEU 160.A O no hydrogen 3.334 N/A LEU 165.A N ILE 161.A O no hydrogen 3.045 N/A ALA 166.A N HIS 162.A O no hydrogen 2.744 N/A GLY 168.A N GLU 163.A OE1 no hydrogen 2.931 N/A CYS 169.A N ALA 166.A O no hydrogen 3.014 N/A CYS 169.A SG HIS 162.A O no hydrogen 3.542 N/A CYS 169.A SG GLU 163.A OE2 no hydrogen 3.741 N/A CYS 169.A SG ALA 166.A O no hydrogen 3.397 N/A LEU 170.A N GLU 163.A OE2 no hydrogen 3.020 N/A ASP 171.A N GLY 168.A O no hydrogen 3.073 N/A PHE 173.A N LEU 170.A O no hydrogen 2.999 N/A LEU 175.A N GLU 130.A OE2 no hydrogen 3.001 N/A LEU 176.A N GLU 130.A OE1 no hydrogen 2.774 N/A SER 177.A N PHE 173.A O no hydrogen 2.952 N/A ALA 178.A N PRO 174.A O no hydrogen 3.091 N/A TYR 179.A N LEU 175.A O no hydrogen 2.922 N/A TYR 179.A OH ASP 152.A OD1 no hydrogen 2.619 N/A VAL 180.A N LEU 176.A O no hydrogen 3.021 N/A GLY 181.A N SER 177.A O no hydrogen 3.233 N/A ARG 182.A N ALA 178.A O no hydrogen 2.861 N/A ARG 182.A NH2 GLY 139.A O no hydrogen 2.847 N/A ARG 182.A NH2 THR 141.A O no hydrogen 2.786 N/A LEU 183.A N TYR 179.A O no hydrogen 2.974 N/A SER 184.A N VAL 180.A O no hydrogen 2.963 N/A SER 184.A OG VAL 180.A O no hydrogen 2.707 N/A ALA 185.A N ARG 182.A O no hydrogen 3.206 N/A ARG 186.A N LEU 183.A O no hydrogen 3.221 N/A ARG 186.A NE ASP 23.A OD1 no hydrogen 3.517 N/A ARG 186.A NE ASP 23.A OD2 no hydrogen 2.764 N/A ARG 186.A NH2 ASP 23.A OD2 no hydrogen 3.047 N/A LYS 190.A N ARG 186.A O no hydrogen 2.686 N/A ALA 191.A N PRO 187.A O no hydrogen 3.065 N/A PHE 192.A N LYS 188.A O no hydrogen 3.111 N/A LEU 193.A N LEU 189.A O no hydrogen 2.858 N/A ALA 194.A N LYS 190.A O no hydrogen 3.165 N/A SER 195.A N PHE 192.A O no hydrogen 3.060 N/A SER 195.A OG PHE 192.A O no hydrogen 2.678 N/A TYR 198.A N SER 195.A O no hydrogen 3.005 N/A VAL 199.A N SER 195.A O no hydrogen 2.849 N/A ASN 200.A N PRO 196.A O no hydrogen 2.944 N/A LEU 201.A N TYR 198.A O no hydrogen 3.293 N/A ASN 204.A ND2 TYR 103.A OH no hydrogen 2.926 N/A ASN 204.A ND2 LYS 208.A O no hydrogen 2.853 N/A GLY 205.A N TYR 108.A OH no hydrogen 2.721 N/A ASN 206.A ND2 ILE 107.A O no hydrogen 2.852 N/A LYS 208.A N ASN 206.A OD1 no hydrogen 3.223 N/A