Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4gak_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N TYR 41.A OH no hydrogen 3.046 N/A GLN 7.A N THR 75.A O no hydrogen 3.023 N/A GLN 7.A NE2 ASP 9.A OD1 no hydrogen 3.048 N/A GLN 7.A NE2 ASP 9.A OD2 no hydrogen 3.177 N/A ASP 9.A N LEU 74.A O no hydrogen 3.051 N/A PHE 11.A N ILE 72.A O no hydrogen 2.966 N/A THR 12.A OG1 THR 71.A OG1 no hydrogen 3.180 N/A LEU 13.A N ASP 70.A O no hydrogen 2.896 N/A ARG 14.A N GLU 17.A OE1 no hydrogen 2.821 N/A ARG 14.A NH1 TYR 16.A OH no hydrogen 2.959 N/A GLU 17.A N ARG 14.A O no hydrogen 2.917 N/A CYS 18.A N GLY 15.A O no hydrogen 2.964 N/A CYS 18.A SG ARG 14.A O no hydrogen 3.832 N/A CYS 18.A SG GLY 22.A O no hydrogen 3.948 N/A ASP 19.A N ARG 23.A O.A no hydrogen 2.795 N/A ASP 19.A N ARG 23.A O.B no hydrogen 2.690 N/A PHE 21.A N ASP 19.A OD1 no hydrogen 2.703 N/A GLY 22.A N ASP 19.A O no hydrogen 2.915 N/A ARG 23.A N.A ASP 19.A OD1 no hydrogen 3.054 N/A ARG 23.A N.B ASP 19.A OD1 no hydrogen 3.086 N/A ALA 27.A N SER 24.A OG no hydrogen 3.088 N/A LEU 28.A N SER 24.A O no hydrogen 3.107 N/A LEU 30.A N ALA 27.A O no hydrogen 2.923 N/A GLN 31.A NE2 ASN 169.A OD1 no hydrogen 2.959 N/A GLU 32.A N ASN 29.A O no hydrogen 2.988 N/A SER 33.A N LEU 30.A O no hydrogen 2.873 N/A SER 33.A OG ASP 9.A OD2 no hydrogen 2.942 N/A SER 33.A OG LEU 30.A O no hydrogen 3.416 N/A ASN 35.A N GLN 31.A O no hydrogen 2.942 N/A ARG 36.A N GLU 32.A O no hydrogen 2.986 N/A ARG 36.A NE GLU 32.A OE2 no hydrogen 2.678 N/A ARG 36.A NH1 ASP 9.A OD1 no hydrogen 3.106 N/A ARG 36.A NH2 GLU 32.A OE2 no hydrogen 3.358 N/A ASN 37.A N SER 33.A O no hydrogen 2.975 N/A ASN 37.A ND2 PHE 5.A O no hydrogen 3.052 N/A ALA 38.A N ALA 34.A O no hydrogen 2.931 N/A ILE 39.A N ASN 35.A O no hydrogen 3.082 N/A ASP 40.A N ARG 36.A O no hydrogen 3.275 N/A TYR 41.A N ASN 37.A O no hydrogen 3.157 N/A TYR 41.A OH SER 125.A O no hydrogen 2.642 N/A GLY 42.A N ILE 39.A O no hydrogen 2.923 N/A ILE 43.A N ALA 38.A O no hydrogen 2.752 N/A GLY 44.A N ASP 47.A OD2 no hydrogen 2.919 N/A LEU 48.A N GLY 44.A O no hydrogen 3.011 N/A ALA 49.A N ILE 45.A O no hydrogen 2.902 N/A GLN 50.A N ALA 46.A O no hydrogen 2.922 N/A LYS 51.A N LEU 48.A O no hydrogen 2.882 N/A GLY 52.A N ALA 49.A O no hydrogen 2.979 N/A VAL 53.A N LEU 48.A O no hydrogen 2.957 N/A GLY 54.A N PHE 109.A O no hydrogen 3.054 N/A TRP 55.A NE1 ILE 43.A O no hydrogen 2.872 N/A ARG 57.A NE PRO 137.A O no hydrogen 2.922 N/A ARG 57.A NE LEU 138.A O no hydrogen 3.257 N/A ARG 57.A NH1 PRO 137.A O no hydrogen 2.853 N/A ARG 57.A NH1 ASP 195.A OD1 no hydrogen 3.171 N/A ARG 57.A NH2 ASP 195.A OD1 no hydrogen 2.973 N/A ARG 57.A NH2 LEU 196.A O no hydrogen 2.716 N/A PHE 58.A N LEU 196.A O no hydrogen 2.941 N/A CYS 59.A N ARG 103.A O no hydrogen 2.919 N/A CYS 59.A SG ILE 194.A O no hydrogen 3.928 N/A LEU 60.A N ILE 194.A O no hydrogen 2.933 N/A ARG 61.A N ASP 101.A O no hydrogen 2.771 N/A ARG 61.A NE ASP 101.A OD1 no hydrogen 2.955 N/A ARG 61.A NH2 ASP 101.A OD1 no hydrogen 3.210 N/A ARG 61.A NH2 ASP 101.A OD2 no hydrogen 3.152 N/A ILE 62.A N ALA 192.A O no hydrogen 2.825 N/A HIS 63.A NE2 ASP 101.A OD2 no hydrogen 2.717 N/A GLN 64.A N LEU 99.A O no hydrogen 3.003 N/A TYR 65.A OH ILE 191.A O no hydrogen 2.686 N/A ARG 67.A N ASP 70.A OD2 no hydrogen 2.858 N/A ARG 67.A NH1 PHE 21.A O no hydrogen 3.542 N/A ARG 67.A NH2 PHE 21.A O no hydrogen 2.923 N/A GLY 69.A N LEU 13.A O no hydrogen 3.041 N/A ASP 70.A N ARG 67.A O no hydrogen 2.887 N/A THR 71.A OG1 THR 12.A OG1 no hydrogen 3.180 N/A ILE 72.A N PHE 11.A O no hydrogen 2.781 N/A GLN 73.A N LEU 92.A O no hydrogen 2.852 N/A GLN 73.A NE2 THR 8.A OG1 no hydrogen 3.225 N/A LEU 74.A N ASP 9.A O no hydrogen 2.765 N/A THR 75.A OG1 ASP 88.A O no hydrogen 2.738 N/A TYR 76.A N ASP 88.A O no hydrogen 3.241 N/A THR 78.A N HIS 86.A O no hydrogen 2.847 N/A THR 78.A OG1 HIS 86.A O no hydrogen 3.372 N/A ASP 81.A N PHE 84.A O no hydrogen 2.924 N/A PHE 84.A N ASP 81.A OD1 no hydrogen 2.879 N/A ILE 85.A N TRP 106.A O no hydrogen 2.988 N/A HIS 86.A N THR 79.A O no hydrogen 3.082 N/A HIS 86.A NE2 ASP 81.A OD2 no hydrogen 2.961 N/A ARG 87.A N SER 104.A O no hydrogen 2.989 N/A ARG 87.A NH1 ASN 37.A OD1 no hydrogen 2.941 N/A ARG 87.A NH1 THR 75.A OG1 no hydrogen 2.973 N/A ARG 87.A NH2 ASN 37.A OD1 no hydrogen 3.130 N/A ASP 88.A N TYR 76.A O no hydrogen 3.002 N/A PHE 89.A N ALA 102.A O no hydrogen 2.851 N/A ARG 90.A NH2 ASP 131.A O no hydrogen 2.885 N/A VAL 91.A N ALA 100.A O no hydrogen 2.879 N/A LEU 92.A N GLN 73.A O no hydrogen 2.841 N/A ALA 93.A N THR 97.A O no hydrogen 2.917 N/A THR 94.A OG1 THR 71.A O no hydrogen 3.569 N/A GLY 96.A N ALA 93.A O no hydrogen 2.866 N/A LEU 99.A N VAL 91.A O no hydrogen 2.840 N/A ASP 101.A N ARG 61.A O no hydrogen 2.962 N/A ALA 102.A N PHE 89.A O no hydrogen 3.056 N/A ARG 103.A N CYS 59.A O no hydrogen 2.987 N/A ARG 103.A NH1 PRO 134.A O no hydrogen 3.056 N/A SER 104.A OG ARG 87.A O no hydrogen 2.821 N/A THR 105.A N ARG 57.A O no hydrogen 2.895 N/A TRP 106.A N ILE 85.A O no hydrogen 2.867 N/A TRP 106.A NE1 SER 104.A OG no hydrogen 2.908 N/A PHE 109.A N GLY 54.A O no hydrogen 2.867 N/A SER 110.A N SER 114.A O no hydrogen 2.842 N/A LYS 112.A N SER 110.A OG no hydrogen 2.942 N/A ARG 113.A N SER 110.A O no hydrogen 2.836 N/A LEU 117.A N LYS 82.A O no hydrogen 2.908 N/A ILE 121.A N PRO 118.A O no hydrogen 2.885 N/A ARG 122.A N PRO 118.A O no hydrogen 3.032 N/A GLN 123.A N ASP 119.A O no hydrogen 2.951 N/A LEU 124.A N ILE 121.A O no hydrogen 3.151 N/A LEU 133.A N ASP 88.A OD2 no hydrogen 2.772 N/A GLN 143.A N PRO 140.A O no hydrogen 2.898 N/A THR 144.A N ASP 141.A O no hydrogen 3.079 N/A THR 144.A OG1 ASP 141.A O no hydrogen 2.875 N/A ALA 145.A N PHE 142.A O no hydrogen 3.103 N/A ALA 148.A N SER 146.A OG no hydrogen 3.036 N/A ALA 150.A N PHE 147.A O no hydrogen 2.877 N/A LYS 153.A N VAL 210.A O no hydrogen 2.843 N/A VAL 155.A N LEU 208.A O no hydrogen 2.711 N/A GLN 156.A NE2 HIS 205.A O no hydrogen 2.972 N/A VAL 157.A N ASP 206.A O no hydrogen 2.886 N/A GLY 158.A N ASN 161.A OD1 no hydrogen 2.860 N/A ASN 161.A N GLY 158.A O no hydrogen 3.081 N/A ILE 162.A N TRP 159.A O no hydrogen 2.924 N/A ASP 163.A N HIS 167.A O no hydrogen 2.674 N/A GLN 166.A N ASP 163.A O no hydrogen 2.858 N/A HIS 167.A N ASP 163.A OD1 no hydrogen 3.044 N/A ASN 169.A N ASN 161.A O no hydrogen 2.838 N/A ASN 169.A ND2 ASN 29.A OD1 no hydrogen 3.017 N/A VAL 171.A N ASN 169.A OD1 no hydrogen 2.862 N/A ALA 172.A N ASN 169.A O no hydrogen 2.831 N/A TYR 173.A OH SER 202.A OG no hydrogen 2.772 N/A GLN 175.A N VAL 171.A O no hydrogen 3.010 N/A TRP 176.A N ALA 172.A O no hydrogen 3.076 N/A LEU 177.A N TYR 173.A O no hydrogen 2.994 N/A LEU 178.A N VAL 174.A O no hydrogen 2.839 N/A GLU 179.A N GLN 175.A O no hydrogen 2.916 N/A GLY 180.A N TRP 176.A O no hydrogen 3.147 N/A GLY 180.A N LEU 177.A O no hydrogen 3.136 N/A VAL 181.A N LEU 178.A O no hydrogen 3.182 N/A ILE 185.A N ASP 182.A O no hydrogen 2.901 N/A VAL 186.A N ASP 182.A O no hydrogen 3.043 N/A GLN 187.A N SER 183.A O no hydrogen 2.869 N/A THR 188.A N ILE 185.A O no hydrogen 2.975 N/A THR 188.A OG1 GLU 184.A O no hydrogen 2.694 N/A ARG 189.A N ILE 185.A O no hydrogen 2.892 N/A ARG 189.A NH1 THR 188.A O no hydrogen 3.205 N/A GLU 190.A N ARG 241.A OXT no hydrogen 2.867 N/A ALA 192.A N ARG 239.A O no hydrogen 2.708 N/A GLU 193.A N ARG 239.A O no hydrogen 3.361 N/A ILE 194.A N LEU 60.A O no hydrogen 2.914 N/A ASP 195.A N ARG 237.A O no hydrogen 2.919 N/A LEU 196.A N PHE 58.A O no hydrogen 2.666 N/A VAL 197.A N LEU 235.A O no hydrogen 2.826 N/A TYR 198.A OH ASN 170.A O no hydrogen 2.889 N/A ARG 199.A N VAL 233.A O no hydrogen 2.787 N/A THR 200.A N ASP 232.A O no hydrogen 3.039 N/A SER 202.A N TYR 173.A OH no hydrogen 3.320 N/A SER 202.A OG TYR 173.A OH no hydrogen 2.772 N/A HIS 203.A N ASP 206.A OD2 no hydrogen 2.740 N/A HIS 205.A N VAL 157.A O no hydrogen 2.887 N/A ASP 206.A N HIS 203.A O no hydrogen 2.948 N/A LEU 208.A N VAL 155.A O no hydrogen 2.702 N/A SER 209.A N SER 225.A O no hydrogen 2.816 N/A SER 209.A OG THR 227.A OG1 no hydrogen 2.741 N/A VAL 210.A N LYS 153.A O no hydrogen 2.626 N/A GLN 211.A N ARG 223.A O no hydrogen 2.835 N/A GLN 211.A NE2 ALA 150.A O no hydrogen 2.826 N/A VAL 213.A N LEU 221.A O no hydrogen 2.934 N/A GLU 215.A N SER 219.A O no hydrogen 3.105 N/A THR 216.A N SER 219.A O no hydrogen 3.191 N/A SER 219.A N THR 216.A O no hydrogen 3.307 N/A SER 219.A OG GLU 215.A OE1 no hydrogen 2.620 N/A VAL 220.A N SER 238.A O no hydrogen 2.862 N/A LEU 221.A N VAL 213.A O no hydrogen 2.974 N/A HIS 222.A N ALA 236.A O no hydrogen 2.786 N/A HIS 222.A NE2 SER 238.A OG no hydrogen 2.599 N/A ARG 223.A N GLN 211.A O no hydrogen 2.829 N/A ARG 223.A NH2 SER 225.A OG no hydrogen 3.343 N/A ILE 224.A N LEU 234.A O no hydrogen 2.831 N/A SER 225.A N SER 209.A O no hydrogen 3.060 N/A GLN 226.A N LYS 231.A O no hydrogen 2.875 N/A GLN 226.A NE2 ASP 206.A OD2 no hydrogen 2.841 N/A THR 227.A N TRP 207.A O no hydrogen 2.963 N/A THR 227.A OG1 SER 209.A OG no hydrogen 2.741 N/A GLY 230.A N GLN 226.A O no hydrogen 2.957 N/A LYS 231.A N SER 229.A OG no hydrogen 3.087 N/A VAL 233.A N ILE 224.A O no hydrogen 2.806 N/A LEU 234.A N ILE 224.A O no hydrogen 2.978 N/A LEU 235.A N VAL 197.A O no hydrogen 2.930 N/A ALA 236.A N HIS 222.A O no hydrogen 2.993 N/A ARG 237.A N ASP 195.A O no hydrogen 3.018 N/A ARG 237.A NE GLU 215.A OE1 no hydrogen 2.879 N/A ARG 237.A NE GLU 215.A OE2 no hydrogen 3.242 N/A ARG 237.A NH2 GLU 215.A OE2 no hydrogen 2.984 N/A SER 238.A N VAL 220.A O no hydrogen 2.805 N/A SER 238.A OG HIS 222.A NE2 no hydrogen 2.599 N/A ARG 239.A N GLU 193.A O no hydrogen 2.881 N/A TRP 240.A N ASN 218.A O.A no hydrogen 2.788 N/A TRP 240.A N ASN 218.A O.B no hydrogen 2.670 N/A TRP 240.A NE1 SER 238.A OG no hydrogen 2.770 N/A ARG 241.A N GLU 190.A O no hydrogen 2.806 N/A ARG 241.A NE GLU 190.A OE2 no hydrogen 3.093 N/A ARG 241.A NH1 ILE 62.A O no hydrogen 2.853 N/A ARG 241.A NH2 ILE 62.A O no hydrogen 2.657 N/A ARG 241.A NH2 GLU 190.A OE2 no hydrogen 2.872 N/A