Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cqg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 7.A N ASP 3.A O no hydrogen 3.323 N/A ASP 8.A N ARG 4.A O no hydrogen 3.044 N/A VAL 9.A N LEU 5.A O no hydrogen 2.949 N/A ILE 10.A N LYS 6.A O no hydrogen 3.094 N/A ILE 10.A N ILE 7.A O no hydrogen 3.224 N/A TRP 12.A N VAL 9.A O no hydrogen 2.743 N/A LEU 13.A N VAL 9.A O no hydrogen 3.068 N/A VAL 14.A N ILE 10.A O no hydrogen 3.171 N/A PHE 15.A N TRP 12.A O no hydrogen 3.031 N/A ALA 18.A N ASP 16.A OD1 no hydrogen 2.939 N/A GLN 19.A N ASP 16.A O no hydrogen 3.121 N/A ARG 20.A NH1 ASP 53.A OD1 no hydrogen 3.469 N/A LEU 24.A N ARG 20.A O no hydrogen 2.996 N/A LYS 25.A N ALA 21.A O no hydrogen 2.770 N/A LYS 25.A NZ ASP 69.A OD2 no hydrogen 2.643 N/A GLN 26.A N GLU 22.A O no hydrogen 2.918 N/A GLY 27.A N ALA 23.A O no hydrogen 2.756 N/A ASN 28.A N LEU 24.A O no hydrogen 2.916 N/A ASN 28.A ND2 ALA 72.A O no hydrogen 2.774 N/A ALA 29.A N LYS 25.A O no hydrogen 2.994 N/A ILE 30.A N GLN 26.A O no hydrogen 3.458 N/A MET 31.A N GLY 27.A O no hydrogen 3.305 N/A ARG 32.A N ASN 28.A O no hydrogen 2.820 N/A ARG 32.A NH1 GLU 75.A OE2 no hydrogen 2.527 N/A LYS 33.A N ALA 29.A O no hydrogen 3.239 N/A PHE 34.A N ILE 30.A O no hydrogen 2.821 N/A LEU 35.A N MET 31.A O no hydrogen 2.730 N/A ALA 36.A N ARG 32.A O no hydrogen 3.164 N/A SER 37.A N LYS 33.A O no hydrogen 3.256 N/A SER 37.A N PHE 34.A O no hydrogen 2.637 N/A SER 37.A OG LYS 33.A O no hydrogen 3.264 N/A LYS 38.A N LEU 35.A O no hydrogen 3.055 N/A LYS 39.A N PHE 34.A O no hydrogen 3.222 N/A HIS 40.A NE2 TYR 82.A OH no hydrogen 2.992 N/A ALA 43.A N LYS 39.A O no hydrogen 3.150 N/A LYS 44.A N HIS 40.A O no hydrogen 2.962 N/A GLU 45.A N GLU 41.A O no hydrogen 2.829 N/A VAL 46.A N ALA 42.A O no hydrogen 3.484 N/A PHE 47.A N ALA 43.A O no hydrogen 2.943 N/A VAL 48.A N LYS 44.A O no hydrogen 3.260 N/A LYS 49.A N VAL 46.A O no hydrogen 3.089 N/A LYS 49.A NZ ASP 11.A OD1 no hydrogen 3.119 N/A LYS 49.A NZ ASP 11.A OD2 no hydrogen 2.914 N/A ILE 50.A N PHE 47.A O no hydrogen 2.956 N/A GLU 57.A N ASP 53.A O no hydrogen 3.027 N/A ILE 58.A N SER 54.A O no hydrogen 3.227 N/A TYR 59.A N ILE 55.A O no hydrogen 3.051 N/A ASN 60.A N ALA 56.A O no hydrogen 3.130 N/A GLN 61.A N GLU 57.A O no hydrogen 3.287 N/A GLN 61.A NE2 PRO 17.A O no hydrogen 2.446 N/A CYS 62.A N TYR 59.A O no hydrogen 3.310 N/A ASP 69.A N PRO 66.A O no hydrogen 3.042 N/A ASP 70.A N PRO 66.A O no hydrogen 2.872 N/A ASN 71.A N ALA 67.A O no hydrogen 2.831 N/A ALA 72.A N GLU 68.A O no hydrogen 3.010 N/A ILE 73.A N ASP 69.A O no hydrogen 3.125 N/A ARG 74.A N ASP 70.A O no hydrogen 3.184 N/A ARG 74.A NE VAL 131.A O no hydrogen 2.834 N/A ARG 74.A NH1 VAL 125.A O no hydrogen 3.026 N/A ARG 74.A NH2 VAL 125.A O no hydrogen 3.001 N/A ARG 74.A NH2 GLY 128.A O no hydrogen 2.855 N/A GLU 75.A N ASN 71.A O no hydrogen 2.701 N/A HIS 76.A N ALA 72.A O no hydrogen 2.786 N/A LEU 77.A N ILE 73.A O no hydrogen 2.850 N/A CYS 78.A N ARG 74.A O no hydrogen 2.807 N/A CYS 78.A SG ARG 74.A O no hydrogen 3.535 N/A ILE 79.A N GLU 75.A O no hydrogen 2.903 N/A ARG 80.A N HIS 76.A O no hydrogen 2.992 N/A ALA 81.A N LEU 77.A O no hydrogen 2.805 N/A TYR 82.A N CYS 78.A O no hydrogen 2.960 N/A TYR 82.A OH HIS 40.A NE2 no hydrogen 2.992 N/A LEU 83.A N ILE 79.A O no hydrogen 3.097 N/A GLU 84.A N ARG 80.A O no hydrogen 2.968 N/A ALA 85.A N ALA 81.A O no hydrogen 3.277 N/A GLU 87.A N LEU 83.A O no hydrogen 3.009 N/A THR 88.A N GLU 84.A O no hydrogen 2.981 N/A THR 88.A OG1 GLU 84.A O no hydrogen 3.166 N/A THR 88.A OG1 ALA 85.A O no hydrogen 3.282 N/A PHE 89.A N ALA 85.A O no hydrogen 3.324 N/A ASN 90.A N HIS 86.A O no hydrogen 2.987 N/A GLU 91.A N GLU 87.A O no hydrogen 2.878 N/A TRP 92.A N THR 88.A O no hydrogen 2.875 N/A TRP 92.A NE1 THR 111.A OG1 no hydrogen 2.917 N/A PHE 93.A N PHE 89.A O no hydrogen 2.880 N/A LYS 94.A N ASN 90.A O no hydrogen 2.922 N/A HIS 95.A N GLU 91.A O no hydrogen 3.124 N/A MET 96.A N TRP 92.A O no hydrogen 2.889 N/A ASN 97.A N LYS 94.A O no hydrogen 3.093 N/A SER 98.A N HIS 95.A O no hydrogen 3.242 N/A SER 98.A OG HIS 95.A O no hydrogen 2.939 N/A HIS 106.A N SER 102.A O no hydrogen 3.273 N/A LEU 107.A N TRP 103.A O no hydrogen 2.970 N/A ASP 108.A N LYS 104.A O no hydrogen 2.941 N/A LEU 110.A N HIS 106.A O no hydrogen 3.030 N/A THR 111.A N LEU 107.A O no hydrogen 2.895 N/A THR 111.A OG1 LEU 107.A O no hydrogen 2.983 N/A ALA 112.A N ASP 108.A O no hydrogen 2.922 N/A ASP 113.A N ALA 109.A O no hydrogen 3.023 N/A VAL 114.A N LEU 110.A O no hydrogen 2.899 N/A LYS 115.A N THR 111.A O no hydrogen 3.126 N/A LYS 115.A NZ GLN 171.A OE1 no hydrogen 3.403 N/A LYS 117.A N ASP 113.A O no hydrogen 3.103 N/A LYS 117.A NZ ASP 113.A OD1 no hydrogen 3.274 N/A MET 118.A N VAL 114.A O no hydrogen 2.841 N/A TYR 119.A N LYS 115.A O no hydrogen 3.078 N/A TYR 119.A OH GLU 174.A OE1 no hydrogen 3.015 N/A ASN 120.A N GLU 116.A O no hydrogen 2.778 N/A VAL 121.A N LYS 117.A O no hydrogen 3.360 N/A LEU 122.A N MET 118.A O no hydrogen 2.980 N/A LEU 123.A N TYR 119.A O no hydrogen 2.847 N/A TRP 129.A NE1 CYS 78.A O no hydrogen 3.210 N/A ARG 134.A NE ASP 70.A OD2 no hydrogen 2.748 N/A ARG 134.A NH1 ASP 136.A OD1 no hydrogen 2.850 N/A ARG 134.A NH2 ASP 70.A OD2 no hydrogen 3.283 N/A ASP 136.A N ASP 136.A OD1 no hydrogen 2.501 N/A LYS 138.A N GLU 68.A OE1 no hydrogen 3.200 N/A ARG 143.A N ASP 140.A OD1 no hydrogen 3.157 N/A ARG 143.A NE GLU 75.A OE1 no hydrogen 3.091 N/A ARG 143.A NH1 ASP 132.A OD2 no hydrogen 2.735 N/A ARG 143.A NH2 GLU 75.A OE1 no hydrogen 3.178 N/A ARG 143.A NH2 ASP 132.A OD1 no hydrogen 2.905 N/A ARG 143.A NH2 ASP 132.A OD2 no hydrogen 3.422 N/A THR 144.A N ASP 140.A O no hydrogen 3.181 N/A THR 144.A OG1 ASP 140.A O no hydrogen 3.357 N/A HIS 145.A N HIS 141.A O no hydrogen 2.884 N/A GLN 146.A N GLU 142.A O no hydrogen 2.877 N/A MET 147.A N ARG 143.A O no hydrogen 2.859 N/A VAL 148.A N THR 144.A O no hydrogen 3.143 N/A LEU 149.A N HIS 145.A O no hydrogen 3.064 N/A LEU 149.A N GLN 146.A O no hydrogen 3.176 N/A LEU 150.A N GLN 146.A O no hydrogen 3.066 N/A ARG 151.A N MET 147.A O no hydrogen 3.410 N/A ARG 151.A NH1 TRP 129.A O no hydrogen 2.486 N/A LEU 153.A N LEU 149.A O no hydrogen 2.687 N/A CYS 154.A N LEU 150.A O no hydrogen 2.769 N/A CYS 154.A SG LEU 150.A O no hydrogen 3.135 N/A LEU 155.A N ARG 151.A O no hydrogen 3.360 N/A LEU 158.A N CYS 154.A O no hydrogen 3.431 N/A CYS 159.A N LEU 155.A O no hydrogen 3.289 N/A PHE 160.A N PRO 156.A O no hydrogen 3.209 N/A PHE 160.A N MET 157.A O no hydrogen 3.023 N/A LEU 161.A N MET 157.A O no hydrogen 2.992 N/A LEU 162.A N LEU 158.A O no hydrogen 2.876 N/A HIS 163.A N CYS 159.A O no hydrogen 3.054 N/A THR 164.A N PHE 160.A O no hydrogen 3.103 N/A THR 164.A OG1 PHE 160.A O no hydrogen 2.907 N/A ILE 165.A N LEU 161.A O no hydrogen 2.965 N/A LEU 166.A N LEU 162.A O no hydrogen 3.072 N/A HIS 167.A N HIS 163.A O no hydrogen 2.749 N/A HIS 167.A ND1 SER 208.A OG no hydrogen 2.894 N/A SER 168.A N THR 164.A O no hydrogen 2.622 N/A SER 168.A OG THR 164.A O no hydrogen 3.196 N/A THR 169.A N LEU 166.A O no hydrogen 3.385 N/A THR 169.A OG1 ILE 165.A O no hydrogen 2.774 N/A THR 169.A OG1 LEU 166.A O no hydrogen 3.504 N/A GLY 170.A N HIS 167.A O no hydrogen 2.851 N/A GLN 171.A N LEU 166.A O no hydrogen 2.780 N/A GLU 174.A N GLN 171.A O no hydrogen 3.063 N/A CYS 175.A N GLN 171.A O no hydrogen 3.261 N/A CYS 175.A SG HIS 163.A ND1 no hydrogen 3.728 N/A CYS 175.A SG HIS 163.A O no hydrogen 3.671 N/A CYS 175.A SG GLN 171.A O no hydrogen 3.567 N/A LEU 176.A N TYR 172.A O no hydrogen 3.283 N/A GLN 177.A N GLU 174.A O no hydrogen 2.978 N/A LEU 178.A N CYS 175.A O no hydrogen 3.194 N/A ALA 179.A N LEU 176.A O no hydrogen 3.283 N/A MET 181.A N GLN 177.A O no hydrogen 3.220 N/A VAL 182.A N LEU 178.A O no hydrogen 2.932 N/A SER 183.A N ALA 179.A O no hydrogen 3.260 N/A SER 183.A OG ALA 179.A O no hydrogen 2.972 N/A LYS 188.A N SER 184.A O no hydrogen 2.795 N/A LYS 188.A NZ GLU 185.A O no hydrogen 2.983 N/A TYR 190.A OH GLU 185.A OE2 no hydrogen 2.480 N/A LEU 191.A N LYS 188.A O no hydrogen 2.974 N/A VAL 192.A N LEU 189.A O no hydrogen 3.184 N/A PHE 193.A N TYR 190.A O no hydrogen 3.189 N/A SER 194.A N GLU 197.A OE1 no hydrogen 3.131 N/A GLU 197.A N SER 194.A O no hydrogen 2.902 N/A GLU 197.A N SER 194.A OG no hydrogen 3.059 N/A LEU 198.A N SER 194.A O no hydrogen 2.961 N/A ARG 199.A N LYS 195.A O no hydrogen 3.121 N/A LYS 200.A N GLU 196.A O no hydrogen 3.037 N/A LEU 201.A N GLU 197.A O no hydrogen 2.775 N/A LEU 202.A N LEU 198.A O no hydrogen 2.907 N/A GLN 203.A N ARG 199.A O no hydrogen 2.885 N/A LYS 204.A N LYS 200.A O no hydrogen 3.082 N/A LEU 205.A N LEU 201.A O no hydrogen 3.193 N/A LEU 205.A N LEU 202.A O no hydrogen 3.285 N/A ARG 206.A N LEU 202.A O no hydrogen 3.174 N/A GLU 207.A N GLN 203.A O no hydrogen 3.383 N/A SER 208.A N LEU 205.A O no hydrogen 2.936 N/A SER 208.A OG HIS 167.A ND1 no hydrogen 2.894 N/A SER 208.A OG LYS 204.A O no hydrogen 3.426 N/A SER 209.A N LEU 205.A O no hydrogen 2.918 N/A SER 209.A OG PRO 219.A O no hydrogen 2.762 N/A LEU 210.A N ARG 206.A O no hydrogen 2.942 N/A MET 211.A N GLU 207.A O no hydrogen 3.409 N/A LEU 212.A N SER 208.A O no hydrogen 3.188 N/A LEU 212.A N SER 209.A O no hydrogen 3.136 N/A LEU 213.A N SER 209.A O no hydrogen 2.862 N/A ASP 214.A N LEU 210.A O no hydrogen 3.016 N/A GLN 215.A N LEU 212.A O no hydrogen 2.819 N/A GLY 216.A N LEU 213.A O no hydrogen 2.877 N/A ASP 218.A N TYR 222.A O no hydrogen 2.688 N/A LEU 220.A N ASP 218.A OD1 no hydrogen 3.114 N/A GLY 221.A N ASP 218.A O no hydrogen 2.700 N/A TYR 222.A N ASP 218.A OD1 no hydrogen 2.784 N/A ILE 224.A N GLU 223.A OE1 no hydrogen 3.123 N/A