Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5ita_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 4.A N ASP 1.A O no hydrogen 3.313 N/A ILE 5.A N TYR 72.A O no hydrogen 2.785 N/A GLN 9.A N PRO 6.A O no hydrogen 3.135 N/A THR 11.A N LYS 28.A O no hydrogen 3.045 N/A GLY 13.A N LYS 26.A O no hydrogen 2.629 N/A ILE 16.A N VAL 24.A O no hydrogen 2.870 N/A GLY 17.A N VAL 24.A O no hydrogen 3.470 N/A GLY 19.A N GLY 22.A O no hydrogen 2.796 N/A SER 20.A OG ASP 147.A OD1 no hydrogen 2.822 N/A SER 20.A OG ASP 147.A OD2 no hydrogen 3.048 N/A GLY 22.A N GLY 19.A O no hydrogen 3.410 N/A THR 23.A N MET 37.A O no hydrogen 3.027 N/A VAL 24.A N GLY 17.A O no hydrogen 2.764 N/A TYR 25.A N VAL 35.A O no hydrogen 2.788 N/A LYS 26.A N GLN 14.A O no hydrogen 2.862 N/A GLY 27.A N VAL 33.A O no hydrogen 2.779 N/A LYS 28.A N THR 11.A O no hydrogen 2.870 N/A TRP 29.A N GLY 31.A O no hydrogen 2.803 N/A TRP 29.A NE1 GLN 9.A OE1 no hydrogen 2.866 N/A VAL 33.A N GLY 27.A O no hydrogen 2.882 N/A ALA 34.A N THR 82.A O no hydrogen 2.902 N/A VAL 35.A N TYR 25.A O no hydrogen 2.796 N/A LYS 36.A N ILE 80.A O no hydrogen 2.842 N/A LYS 36.A NZ SER 20.A O no hydrogen 3.229 N/A MET 37.A N THR 23.A O no hydrogen 2.818 N/A LEU 38.A N LEU 78.A O no hydrogen 2.977 N/A THR 44.A N GLN 47.A OE1 no hydrogen 3.053 N/A GLN 47.A N THR 44.A OG1 no hydrogen 3.150 N/A LEU 48.A N THR 44.A O no hydrogen 2.792 N/A GLN 49.A N PRO 45.A O no hydrogen 2.790 N/A GLN 49.A NE2 ASN 53.A OD1 no hydrogen 2.986 N/A ALA 50.A N GLN 46.A O no hydrogen 3.158 N/A PHE 51.A N GLN 47.A O no hydrogen 2.849 N/A LYS 52.A N LEU 48.A O no hydrogen 3.095 N/A ASN 53.A N GLN 49.A O no hydrogen 2.849 N/A GLU 54.A N ALA 50.A O no hydrogen 3.021 N/A VAL 55.A N PHE 51.A O no hydrogen 2.973 N/A GLY 56.A N LYS 52.A O no hydrogen 2.872 N/A VAL 57.A N ASN 53.A O no hydrogen 3.111 N/A LEU 58.A N GLU 54.A O no hydrogen 3.155 N/A ARG 59.A N VAL 55.A O no hydrogen 2.914 N/A LYS 60.A N VAL 57.A O no hydrogen 3.020 N/A LYS 60.A NZ LYS 123.A O no hydrogen 2.992 N/A THR 61.A N LEU 58.A O no hydrogen 3.147 N/A THR 61.A OG1 LEU 58.A O no hydrogen 2.680 N/A ARG 62.A N TYR 119.A OH no hydrogen 2.878 N/A ASN 65.A N HIS 63.A ND1 no hydrogen 2.884 N/A ILE 66.A N HIS 63.A O no hydrogen 3.204 N/A LEU 67.A N ILE 145.A O no hydrogen 2.880 N/A LEU 68.A N GLN 83.A OE1 no hydrogen 3.080 N/A MET 70.A N VAL 81.A O no hydrogen 2.798 N/A GLY 71.A N VAL 81.A O no hydrogen 3.203 N/A TYR 72.A N TRP 3.A O no hydrogen 3.028 N/A SER 73.A N ALA 79.A O no hydrogen 2.971 N/A SER 73.A OG GLN 77.A O no hydrogen 2.912 N/A THR 74.A OG1 GLU 4.A OE2 no hydrogen 3.176 N/A GLN 77.A NE2 LEU 38.A O no hydrogen 2.712 N/A ALA 79.A N SER 73.A O no hydrogen 3.058 N/A ILE 80.A N LYS 36.A O no hydrogen 2.949 N/A VAL 81.A N GLY 71.A O no hydrogen 2.879 N/A THR 82.A N ALA 34.A O no hydrogen 2.992 N/A THR 82.A OG1 GLN 83.A O no hydrogen 2.853 N/A GLN 83.A N LEU 68.A O no hydrogen 2.984 N/A GLN 83.A NE2 TRP 84.A O no hydrogen 3.552 N/A GLU 86.A N HIS 138.A ND1 no hydrogen 3.132 N/A LEU 90.A N ILE 135.A O no hydrogen 2.708 N/A TYR 91.A N SER 132.A O no hydrogen 3.044 N/A HIS 92.A N SER 89.A OG no hydrogen 3.048 N/A HIS 93.A N SER 89.A O no hydrogen 3.129 N/A HIS 93.A ND1 THR 99.A OG1 no hydrogen 3.318 N/A LEU 94.A N LEU 90.A O no hydrogen 2.852 N/A HIS 95.A N TYR 91.A O no hydrogen 2.824 N/A HIS 95.A NE2 GLU 180.A OE1 no hydrogen 2.586 N/A ALA 96.A N HIS 92.A O no hydrogen 2.953 N/A SER 97.A N HIS 92.A O no hydrogen 2.758 N/A SER 97.A OG THR 99.A OG1 no hydrogen 2.662 N/A THR 99.A N HIS 93.A O no hydrogen 3.455 N/A THR 99.A OG1 HIS 93.A ND1 no hydrogen 3.318 N/A THR 99.A OG1 SER 97.A OG no hydrogen 2.662 N/A LYS 105.A NZ ASP 140.A O no hydrogen 3.248 N/A LEU 106.A N GLU 102.A O no hydrogen 3.007 N/A ILE 107.A N MET 103.A O no hydrogen 3.020 N/A ASP 108.A N LYS 104.A O no hydrogen 3.127 N/A ILE 109.A N LYS 105.A O no hydrogen 2.887 N/A ALA 110.A N LEU 106.A O no hydrogen 2.963 N/A ARG 111.A N ILE 107.A O no hydrogen 2.710 N/A ARG 111.A NH2 ASP 108.A OD1 no hydrogen 3.256 N/A GLN 112.A N ASP 108.A O no hydrogen 2.859 N/A GLN 112.A NE2 ASP 108.A OD2 no hydrogen 3.035 N/A GLN 112.A NE2 ASN 141.A O no hydrogen 2.961 N/A THR 113.A N ILE 109.A O no hydrogen 2.971 N/A THR 113.A OG1 ILE 109.A O no hydrogen 2.817 N/A ALA 114.A N ALA 110.A O no hydrogen 3.057 N/A ARG 115.A N ARG 111.A O no hydrogen 2.974 N/A ARG 115.A NE GLU 247.A OE2 no hydrogen 2.882 N/A ARG 115.A NH2 GLU 247.A OE2 no hydrogen 2.841 N/A GLY 116.A N GLN 112.A O no hydrogen 3.107 N/A MET 117.A N THR 113.A O no hydrogen 2.982 N/A ASP 118.A N ALA 114.A O no hydrogen 2.761 N/A TYR 119.A N ARG 115.A O no hydrogen 2.903 N/A TYR 119.A OH LYS 60.A O no hydrogen 3.385 N/A LEU 120.A N GLY 116.A O no hydrogen 2.880 N/A HIS 121.A N MET 117.A O no hydrogen 2.861 N/A HIS 121.A NE2 ASP 170.A OD2 no hydrogen 2.705 N/A ALA 122.A N ASP 118.A O no hydrogen 2.895 N/A LYS 123.A N TYR 119.A O no hydrogen 3.026 N/A SER 124.A N HIS 121.A O no hydrogen 3.081 N/A ILE 125.A N LEU 120.A O no hydrogen 2.905 N/A HIS 127.A N ASP 170.A OD2 no hydrogen 2.828 N/A HIS 127.A NE2 GLY 146.A O no hydrogen 2.857 N/A ARG 128.A N ASP 170.A OD1 no hydrogen 3.227 N/A ASP 129.A N HIS 127.A ND1 no hydrogen 3.094 N/A LYS 131.A NZ ASP 129.A OD2 no hydrogen 3.175 N/A SER 132.A OG GLU 180.A OE1 no hydrogen 2.592 N/A SER 132.A OG GLU 180.A OE2 no hydrogen 3.344 N/A ASN 134.A N LYS 131.A O no hydrogen 3.021 N/A ILE 135.A N SER 132.A O no hydrogen 3.402 N/A PHE 136.A N LYS 144.A O no hydrogen 2.833 N/A LEU 137.A N SER 88.A O no hydrogen 3.113 N/A HIS 138.A N THR 142.A O no hydrogen 2.857 N/A GLU 139.A N GLU 86.A O no hydrogen 2.610 N/A ASP 140.A N LEU 137.A O no hydrogen 3.164 N/A ASN 141.A N HIS 138.A O no hydrogen 2.975 N/A THR 142.A N HIS 138.A O no hydrogen 3.118 N/A VAL 143.A N GLN 112.A OE1 no hydrogen 2.872 N/A LYS 144.A N PHE 136.A O no hydrogen 2.775 N/A LYS 144.A NZ VAL 64.A O no hydrogen 2.625 N/A ILE 145.A N ASN 65.A O no hydrogen 2.926 N/A GLY 146.A N ASN 134.A O no hydrogen 2.984 N/A TRP 154.A NE1 GLU 180.A OE2 no hydrogen 2.859 N/A MET 155.A N ILE 152.A O no hydrogen 3.119 N/A GLU 158.A N GLU 158.A OE1 no hydrogen 2.892 N/A VAL 159.A N ALA 156.A O no hydrogen 2.865 N/A ILE 160.A N ALA 156.A O no hydrogen 3.170 N/A ARG 161.A N PRO 157.A O no hydrogen 3.111 N/A ARG 161.A NH1 GLY 202.A O no hydrogen 2.938 N/A MET 162.A N VAL 159.A O no hydrogen 2.840 N/A TYR 165.A N ASN 163.A OD1 no hydrogen 3.142 N/A SER 166.A N SER 169.A OG no hydrogen 2.721 N/A SER 166.A OG GLN 168.A OE1 no hydrogen 3.314 N/A GLN 168.A N GLN 168.A OE1 no hydrogen 2.793 N/A GLN 168.A NE2 ASP 234.A OD1 no hydrogen 3.420 N/A SER 169.A N SER 166.A OG no hydrogen 3.187 N/A SER 169.A OG PRO 164.A O no hydrogen 3.529 N/A SER 169.A OG SER 166.A O no hydrogen 2.924 N/A ASP 170.A N SER 166.A O no hydrogen 3.010 N/A VAL 171.A N PHE 167.A O no hydrogen 2.910 N/A TYR 172.A N GLN 168.A O no hydrogen 3.032 N/A ALA 173.A N SER 169.A O no hydrogen 3.118 N/A PHE 174.A N ASP 170.A O no hydrogen 2.987 N/A GLY 175.A N VAL 171.A O no hydrogen 2.909 N/A ILE 176.A N TYR 172.A O no hydrogen 3.006 N/A VAL 177.A N ALA 173.A O no hydrogen 2.969 N/A LEU 178.A N PHE 174.A O no hydrogen 2.811 N/A TYR 179.A N GLY 175.A O no hydrogen 2.926 N/A TYR 179.A OH ASP 209.A O no hydrogen 3.037 N/A GLU 180.A N ILE 176.A O no hydrogen 2.929 N/A LEU 181.A N VAL 177.A O no hydrogen 2.950 N/A MET 182.A N LEU 178.A O no hydrogen 2.940 N/A THR 183.A N TYR 179.A O no hydrogen 2.951 N/A THR 183.A OG1 TYR 179.A O no hydrogen 2.831 N/A GLY 184.A N GLU 180.A O no hydrogen 2.705 N/A GLN 185.A N THR 183.A OG1 no hydrogen 2.889 N/A SER 189.A OG GLN 185.A OE1 no hydrogen 3.034 N/A ILE 191.A N TYR 188.A O no hydrogen 2.923 N/A ASN 192.A N TYR 188.A O no hydrogen 3.361 N/A GLN 196.A N ASN 193.A OD1 no hydrogen 2.767 N/A ILE 197.A N ASN 193.A O no hydrogen 2.992 N/A ILE 198.A N ARG 194.A O no hydrogen 2.961 N/A GLU 199.A N ASP 195.A O no hydrogen 2.875 N/A MET 200.A N GLN 196.A O no hydrogen 2.795 N/A VAL 201.A N ILE 197.A O no hydrogen 2.849 N/A GLY 202.A N ILE 198.A O no hydrogen 2.955 N/A ARG 203.A N GLU 199.A O no hydrogen 3.209 N/A ARG 203.A NE SER 205.A OG no hydrogen 2.837 N/A GLY 204.A N VAL 201.A O no hydrogen 2.968 N/A SER 205.A N MET 200.A O no hydrogen 3.031 N/A SER 205.A OG MET 200.A O no hydrogen 3.305 N/A SER 211.A N ASP 209.A OD1 no hydrogen 3.067 N/A SER 211.A OG ASP 209.A OD1 no hydrogen 2.662 N/A SER 211.A OG ASP 209.A OD2 no hydrogen 3.281 N/A LYS 212.A N ASP 209.A O no hydrogen 3.232 N/A LYS 212.A NZ ASN 190.A OD1 no hydrogen 2.539 N/A VAL 213.A N LEU 210.A O no hydrogen 3.145 N/A ARG 214.A N MET 182.A O no hydrogen 2.799 N/A CYS 217.A N ARG 214.A O no hydrogen 3.066 N/A CYS 217.A SG PRO 218.A O no hydrogen 3.652 N/A ARG 220.A NH1 GLU 245.A O no hydrogen 3.514 N/A LYS 222.A N PRO 218.A O no hydrogen 3.126 N/A ARG 223.A N LYS 219.A O no hydrogen 2.941 N/A LEU 224.A N ARG 220.A O no hydrogen 2.991 N/A MET 225.A N MET 221.A O no hydrogen 2.996 N/A ALA 226.A N LYS 222.A O no hydrogen 3.136 N/A GLU 227.A N ARG 223.A O no hydrogen 3.051 N/A CYS 228.A N LEU 224.A O no hydrogen 3.068 N/A CYS 228.A SG LEU 224.A O no hydrogen 3.352 N/A LEU 229.A N MET 225.A O no hydrogen 3.033 N/A LYS 230.A N GLU 227.A O no hydrogen 3.231 N/A LYS 231.A NZ GLY 204.A O no hydrogen 3.075 N/A GLU 235.A N LYS 232.A O no hydrogen 3.003 N/A ARG 236.A N ARG 233.A O no hydrogen 3.259 N/A ARG 236.A NE LYS 230.A O no hydrogen 2.735 N/A ARG 236.A NH1 GLU 158.A OE2 no hydrogen 2.764 N/A ARG 236.A NH1 GLN 168.A O no hydrogen 2.968 N/A ARG 236.A NH2 GLU 158.A OE1 no hydrogen 2.843 N/A ARG 236.A NH2 GLU 158.A OE2 no hydrogen 3.527 N/A ARG 236.A NH2 LYS 230.A O no hydrogen 3.089 N/A ILE 242.A N SER 238.A O no hydrogen 2.874 N/A LEU 243.A N PHE 239.A O no hydrogen 2.632 N/A ALA 244.A N PRO 240.A O no hydrogen 2.869 N/A GLU 245.A N ARG 241.A O no hydrogen 2.831 N/A ILE 246.A N ILE 242.A O no hydrogen 2.806 N/A GLU 247.A N LEU 243.A O no hydrogen 2.859 N/A GLU 248.A N ALA 244.A O no hydrogen 2.834 N/A LEU 249.A N ILE 246.A O no hydrogen 2.631 N/A ALA 250.A N ILE 246.A O no hydrogen 3.058 N/A