Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4q0a_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A N GLN 6.A OE1 no hydrogen 2.869 N/A GLU 5.A N SER 3.A OG no hydrogen 3.244 N/A GLN 6.A N SER 3.A OG no hydrogen 3.220 N/A MET 7.A N SER 3.A O no hydrogen 2.807 N/A GLN 8.A N ASP 4.A O no hydrogen 3.175 N/A GLN 8.A NE2 SER 12.A OG no hydrogen 3.169 N/A ILE 9.A N GLU 5.A O no hydrogen 3.103 N/A ILE 10.A N GLN 6.A O no hydrogen 3.269 N/A ASN 11.A N MET 7.A O no hydrogen 2.957 N/A SER 12.A N GLN 8.A O no hydrogen 2.892 N/A SER 12.A OG GLN 8.A O no hydrogen 2.721 N/A LEU 13.A N ILE 9.A O no hydrogen 3.011 N/A VAL 14.A N ILE 10.A O no hydrogen 2.952 N/A GLU 15.A N ASN 11.A O no hydrogen 3.041 N/A ALA 16.A N SER 12.A O no hydrogen 2.915 N/A HIS 17.A N LEU 13.A O no hydrogen 2.904 N/A HIS 17.A NE2 GLN 91.A OE1 no hydrogen 2.929 N/A HIS 18.A N VAL 14.A O no hydrogen 2.935 N/A HIS 18.A NE2 GLU 141.A OE2 no hydrogen 2.311 N/A LYS 19.A N GLU 15.A O no hydrogen 3.039 N/A LYS 19.A NZ GLU 15.A OE1 no hydrogen 3.498 N/A THR 20.A N HIS 17.A O no hydrogen 3.177 N/A THR 20.A OG1 ALA 16.A O no hydrogen 2.943 N/A THR 20.A OG1 HIS 17.A O no hydrogen 3.423 N/A TYR 21.A OH TYR 25.A OH no hydrogen 2.715 N/A SER 24.A N ASP 22.A OD1 no hydrogen 2.958 N/A SER 24.A OG ASP 22.A OD1 no hydrogen 2.623 N/A SER 24.A OG ASP 22.A OD2 no hydrogen 3.109 N/A TYR 25.A N ASP 22.A O no hydrogen 2.962 N/A TYR 25.A OH TYR 21.A OH no hydrogen 2.715 N/A SER 26.A N ASP 22.A OD2 no hydrogen 3.232 N/A SER 26.A OG ASP 22.A OD2 no hydrogen 2.962 N/A PHE 28.A N TYR 25.A O no hydrogen 3.216 N/A ARG 30.A N ASP 27.A O no hydrogen 2.910 N/A PHE 31.A N PHE 28.A O no hydrogen 3.328 N/A ARG 32.A N ASP 46.A OD2 no hydrogen 2.855 N/A ARG 32.A NH1 GLN 225.A O no hydrogen 2.952 N/A ARG 36.A NE ASP 113.A OD2 no hydrogen 3.026 N/A ARG 36.A NH1 ASP 106.A O no hydrogen 3.040 N/A ARG 36.A NH2 ASP 106.A O no hydrogen 2.809 N/A ARG 36.A NH2 LYS 108.A O no hydrogen 3.089 N/A SER 39.A OG VAL 35.A O no hydrogen 2.705 N/A MET 40.A N LYS 116.A O no hydrogen 3.069 N/A LEU 41.A N LEU 38.A O no hydrogen 3.058 N/A HIS 43.A ND1 ARG 32.A O no hydrogen 2.833 N/A HIS 43.A NE2 TYR 109.A OH no hydrogen 2.655 N/A LEU 44.A N MET 40.A O no hydrogen 2.944 N/A ALA 45.A N LEU 41.A O no hydrogen 2.918 N/A ASP 46.A N PRO 42.A O no hydrogen 3.268 N/A LEU 47.A N HIS 43.A O no hydrogen 2.914 N/A VAL 48.A N LEU 44.A O no hydrogen 2.785 N/A SER 49.A N ALA 45.A O no hydrogen 2.956 N/A SER 49.A OG THR 227.A OG1 no hydrogen 2.675 N/A TYR 50.A N ASP 46.A O no hydrogen 2.851 N/A TYR 50.A OH ASP 27.A OD2 no hydrogen 2.482 N/A SER 51.A N LEU 47.A O no hydrogen 2.907 N/A SER 51.A OG LEU 47.A O no hydrogen 2.732 N/A ILE 52.A N VAL 48.A O no hydrogen 2.865 N/A GLN 53.A N SER 49.A O no hydrogen 3.184 N/A LYS 54.A N TYR 50.A O no hydrogen 3.148 N/A VAL 55.A N SER 51.A O no hydrogen 2.874 N/A ILE 56.A N ILE 52.A O no hydrogen 2.970 N/A GLY 57.A N GLN 53.A O no hydrogen 3.040 N/A PHE 58.A N LYS 54.A O no hydrogen 2.900 N/A ALA 59.A N VAL 55.A O no hydrogen 2.863 N/A LYS 60.A N ILE 56.A O no hydrogen 2.986 N/A MET 61.A N PHE 58.A O no hydrogen 3.030 N/A ILE 62.A N ALA 59.A O no hydrogen 2.968 N/A PHE 65.A N ILE 62.A O no hydrogen 3.099 N/A LEU 68.A N PHE 65.A O no hydrogen 3.059 N/A ASP 72.A N THR 69.A OG1 no hydrogen 3.182 N/A GLN 73.A N THR 69.A O no hydrogen 3.017 N/A GLN 73.A NE2 PHE 65.A O no hydrogen 3.113 N/A GLN 73.A NE2 LEU 68.A O no hydrogen 3.010 N/A ILE 74.A N ALA 70.A O no hydrogen 3.019 N/A ALA 75.A N GLU 71.A O no hydrogen 2.950 N/A LEU 76.A N ASP 72.A O no hydrogen 2.818 N/A LEU 77.A N GLN 73.A O no hydrogen 3.057 N/A LYS 78.A N ILE 74.A O no hydrogen 2.940 N/A LYS 78.A NZ GLU 232.A O no hydrogen 3.192 N/A LYS 78.A NZ GLY 235.A O no hydrogen 3.362 N/A LYS 78.A NZ GLU 237.A O no hydrogen 2.819 N/A SER 79.A N ALA 75.A O no hydrogen 3.331 N/A SER 80.A N LEU 76.A O no hydrogen 2.912 N/A SER 80.A OG LEU 76.A O no hydrogen 2.705 N/A ALA 81.A N LEU 77.A O no hydrogen 2.767 N/A ILE 84.A N SER 80.A O no hydrogen 2.922 N/A ILE 85.A N ALA 81.A O no hydrogen 2.953 N/A MET 86.A N ILE 82.A O no hydrogen 3.059 N/A LEU 87.A N GLU 83.A O no hydrogen 2.859 N/A ARG 88.A N ILE 84.A O no hydrogen 2.691 N/A ARG 88.A NH2 THR 20.A O no hydrogen 2.677 N/A SER 89.A N ILE 85.A O no hydrogen 3.017 N/A SER 89.A OG MET 86.A O no hydrogen 2.872 N/A ASN 90.A N LEU 87.A O no hydrogen 3.138 N/A ASN 90.A ND2 GLN 131.A O no hydrogen 3.092 N/A ASN 90.A ND2 GLN 131.A OE1 no hydrogen 2.789 N/A GLN 91.A N ARG 88.A O no hydrogen 3.243 N/A SER 92.A N SER 89.A O no hydrogen 3.062 N/A SER 92.A OG SER 89.A O no hydrogen 3.238 N/A PHE 93.A N SER 89.A O no hydrogen 3.271 N/A PHE 93.A N ASN 90.A O no hydrogen 3.245 N/A SER 94.A N SER 99.A O no hydrogen 2.772 N/A SER 94.A OG ASP 97.A OD1 no hydrogen 3.243 N/A GLU 96.A N SER 94.A OG no hydrogen 3.231 N/A SER 99.A OG ASP 97.A O no hydrogen 2.682 N/A TRP 100.A N TYR 109.A O no hydrogen 2.845 N/A TRP 100.A NE1 SER 89.A OG no hydrogen 2.978 N/A SER 101.A N SER 92.A O no hydrogen 2.797 N/A CYS 102.A N PHE 107.A O no hydrogen 2.859 N/A CYS 102.A SG SER 92.A OG no hydrogen 3.574 N/A PHE 107.A N GLY 104.A O no hydrogen 3.018 N/A LYS 108.A N PRO 105.A O no hydrogen 3.322 N/A LYS 108.A NZ SER 99.A OG no hydrogen 2.967 N/A TYR 109.A N TRP 100.A O no hydrogen 2.773 N/A TYR 109.A OH HIS 43.A NE2 no hydrogen 2.655 N/A CYS 110.A N ASP 113.A OD2 no hydrogen 3.104 N/A ASN 112.A ND2 ASP 113.A OD1 no hydrogen 3.554 N/A VAL 114.A N CYS 110.A O no hydrogen 3.149 N/A THR 115.A OG1 ILE 111.A O no hydrogen 3.021 N/A THR 115.A OG1 ASN 112.A O no hydrogen 2.659 N/A LYS 116.A N ASP 113.A O no hydrogen 3.075 N/A LYS 116.A NZ ASN 112.A O no hydrogen 3.333 N/A LYS 116.A NZ ASN 112.A OD1 no hydrogen 2.686 N/A THR 120.A N GLN 212.A OE1 no hydrogen 2.858 N/A GLU 122.A N THR 120.A OG1 no hydrogen 3.203 N/A LEU 123.A N THR 120.A O no hydrogen 2.882 N/A LEU 124.A N THR 120.A O no hydrogen 3.009 N/A GLU 125.A N LEU 121.A O no hydrogen 2.778 N/A LEU 127.A N LEU 123.A O no hydrogen 3.138 N/A VAL 128.A N LEU 124.A O no hydrogen 2.974 N/A LYS 129.A N GLU 125.A O no hydrogen 3.050 N/A LYS 129.A NZ GLU 125.A OE2 no hydrogen 2.618 N/A PHE 130.A N PRO 126.A O no hydrogen 2.842 N/A GLN 131.A N LEU 127.A O no hydrogen 3.052 N/A GLN 131.A NE2 MET 86.A O no hydrogen 2.798 N/A VAL 132.A N VAL 128.A O no hydrogen 2.999 N/A GLY 133.A N LYS 129.A O no hydrogen 3.059 N/A LEU 134.A N PHE 130.A O no hydrogen 2.907 N/A LYS 135.A N GLN 131.A O no hydrogen 2.752 N/A LYS 135.A NZ ASN 90.A O no hydrogen 2.885 N/A LYS 135.A NZ PHE 93.A O no hydrogen 2.960 N/A LYS 136.A N VAL 132.A O no hydrogen 3.030 N/A LEU 137.A N LEU 134.A O no hydrogen 3.124 N/A LYS 138.A N LYS 135.A O no hydrogen 3.121 N/A HIS 140.A N GLU 143.A OE1 no hydrogen 2.828 N/A HIS 140.A ND1 TYR 180.A OH no hydrogen 2.531 N/A GLU 142.A N GLU 142.A OE1 no hydrogen 2.594 N/A HIS 144.A N HIS 140.A O no hydrogen 3.038 N/A VAL 145.A N GLU 141.A O no hydrogen 3.007 N/A LEU 146.A N GLU 142.A O no hydrogen 3.116 N/A LEU 147.A N GLU 143.A O no hydrogen 2.871 N/A MET 148.A N HIS 144.A O no hydrogen 3.168 N/A ALA 149.A N VAL 145.A O no hydrogen 3.033 N/A ILE 150.A N LEU 146.A O no hydrogen 2.860 N/A CYS 151.A N LEU 147.A O no hydrogen 2.867 N/A CYS 151.A SG GLU 83.A OE2 no hydrogen 3.080 N/A LEU 152.A N MET 148.A O no hydrogen 2.925 N/A LEU 153.A N ALA 149.A O no hydrogen 2.955 N/A SER 154.A OG ILE 150.A O no hydrogen 3.375 N/A SER 154.A OG CYS 151.A O no hydrogen 2.882 N/A ARG 157.A NE CYS 151.A O no hydrogen 3.120 N/A ARG 157.A NH1 SER 79.A OG no hydrogen 2.885 N/A ARG 157.A NH1 GLU 83.A OE1 no hydrogen 3.237 N/A ARG 157.A NH2 GLU 83.A OE2 no hydrogen 2.787 N/A ARG 157.A NH2 CYS 151.A O no hydrogen 2.851 N/A VAL 160.A N ARG 157.A O no hydrogen 3.331 N/A GLN 161.A N ASP 72.A OD1 no hydrogen 2.497 N/A ASP 162.A N ASP 72.A OD2 no hydrogen 2.920 N/A HIS 163.A N GLN 161.A O no hydrogen 2.940 N/A ARG 165.A N ASP 162.A OD1 no hydrogen 2.975 N/A ILE 166.A N ASP 162.A O no hydrogen 3.138 N/A GLU 167.A N HIS 163.A O no hydrogen 2.671 N/A ALA 168.A N VAL 164.A O no hydrogen 2.939 N/A LEU 169.A N ARG 165.A O no hydrogen 3.069 N/A GLN 170.A N ILE 166.A O no hydrogen 2.967 N/A GLN 170.A NE2 ILE 150.A O no hydrogen 3.055 N/A ASP 171.A N GLU 167.A O no hydrogen 2.872 N/A ARG 172.A N ALA 168.A O no hydrogen 3.194 N/A ARG 172.A NH1 GLU 5.A OE2 no hydrogen 2.784 N/A LEU 173.A N LEU 169.A O no hydrogen 3.153 N/A CYS 174.A N GLN 170.A O no hydrogen 2.906 N/A CYS 174.A SG GLN 170.A O no hydrogen 3.409 N/A ASP 175.A N ASP 171.A O no hydrogen 2.966 N/A VAL 176.A N ARG 172.A O no hydrogen 3.032 N/A LEU 177.A N LEU 173.A O no hydrogen 2.968 N/A GLN 178.A N CYS 174.A O no hydrogen 2.914 N/A GLN 178.A NE2 CYS 174.A O no hydrogen 3.490 N/A ALA 179.A N ASP 175.A O no hydrogen 3.061 N/A TYR 180.A N VAL 176.A O no hydrogen 2.913 N/A TYR 180.A OH HIS 140.A ND1 no hydrogen 2.531 N/A ILE 181.A N LEU 177.A O no hydrogen 3.055 N/A ARG 182.A N GLN 178.A O no hydrogen 3.120 N/A ILE 183.A N ALA 179.A O no hydrogen 3.142 N/A GLN 184.A N TYR 180.A O no hydrogen 2.706 N/A HIS 185.A N ILE 181.A O no hydrogen 2.731 N/A HIS 185.A ND1 GLU 143.A OE2 no hydrogen 2.598 N/A GLY 188.A N HIS 185.A O no hydrogen 3.027 N/A LEU 191.A N GLY 188.A O no hydrogen 3.174 N/A LYS 194.A N LEU 190.A O no hydrogen 3.178 N/A MET 195.A N LEU 191.A O no hydrogen 2.786 N/A ILE 196.A N TYR 192.A O no hydrogen 2.916 N/A GLN 197.A N ALA 193.A O no hydrogen 3.100 N/A GLN 197.A NE2 ASP 201.A OD1 no hydrogen 3.057 N/A LYS 198.A N LYS 194.A O no hydrogen 3.193 N/A LEU 199.A N MET 195.A O no hydrogen 3.373 N/A LEU 199.A N ILE 196.A O no hydrogen 3.052 N/A ALA 200.A N ILE 196.A O no hydrogen 3.422 N/A ASP 201.A N GLN 197.A O no hydrogen 2.981 N/A LEU 202.A N LYS 198.A O no hydrogen 2.916 N/A ARG 203.A N LEU 199.A O no hydrogen 3.166 N/A ARG 203.A NH1 ASP 156.A OD2 no hydrogen 3.203 N/A ARG 203.A NH2 ASP 156.A OD1 no hydrogen 3.062 N/A ARG 203.A NH2 ASP 156.A OD2 no hydrogen 3.379 N/A SER 204.A N ALA 200.A O no hydrogen 3.269 N/A LEU 205.A N ASP 201.A O no hydrogen 3.012 N/A ASN 206.A N LEU 202.A O no hydrogen 2.837 N/A ASN 206.A ND2 SER 79.A O no hydrogen 2.840 N/A ASN 206.A ND2 GLU 83.A OE1 no hydrogen 2.732 N/A GLU 207.A N ARG 203.A O no hydrogen 2.992 N/A GLU 208.A N SER 204.A O no hydrogen 3.205 N/A HIS 209.A N LEU 205.A O no hydrogen 2.908 N/A SER 210.A N ASN 206.A O no hydrogen 2.757 N/A LYS 211.A N GLU 207.A O no hydrogen 2.916 N/A GLN 212.A N GLU 208.A O no hydrogen 3.011 N/A GLN 212.A NE2 GLU 208.A OE2 no hydrogen 2.846 N/A TYR 213.A N HIS 209.A O no hydrogen 2.727 N/A ARG 214.A N SER 210.A O no hydrogen 3.040 N/A SER 215.A N LYS 211.A O no hydrogen 3.193 N/A SER 215.A OG LYS 211.A O no hydrogen 3.130 N/A LEU 216.A N GLN 212.A O no hydrogen 2.980 N/A SER 217.A N TYR 213.A O no hydrogen 2.765 N/A SER 217.A OG TYR 213.A O no hydrogen 2.889 N/A SER 217.A OG ARG 214.A O no hydrogen 3.316 N/A PHE 218.A N SER 215.A O no hydrogen 3.359 N/A GLN 219.A N LEU 216.A O no hydrogen 2.944 N/A GLU 221.A N GLU 221.A OE1 no hydrogen 2.567 N/A HIS 222.A N GLN 219.A O no hydrogen 2.926 N/A SER 223.A N GLN 219.A O no hydrogen 2.939 N/A SER 223.A OG PRO 220.A O no hydrogen 3.521 N/A MET 224.A N PRO 220.A O no hydrogen 2.895 N/A GLN 225.A N HIS 222.A O no hydrogen 2.880 N/A GLN 225.A NE2 GLU 221.A O no hydrogen 3.004 N/A LEU 226.A N SER 223.A O no hydrogen 3.012 N/A THR 227.A OG1 SER 49.A OG no hydrogen 2.675 N/A VAL 230.A N THR 227.A OG1 no hydrogen 3.101 N/A LEU 231.A N THR 227.A O no hydrogen 3.071 N/A GLU 232.A N PRO 228.A O no hydrogen 3.050 N/A VAL 233.A N LEU 229.A O no hydrogen 2.958 N/A PHE 234.A N VAL 230.A O no hydrogen 2.827 N/A