Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3mq2_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N PHE 12.A O no hydrogen 3.305 N/A ARG 2.A NE TRP 84.A O no hydrogen 2.983 N/A ARG 2.A NH2 TRP 84.A O no hydrogen 2.998 N/A ARG 3.A N GLN 10.A O no hydrogen 2.863 N/A VAL 4.A N TYR 82.A O no hydrogen 2.832 N/A VAL 5.A N ARG 8.A O no hydrogen 2.886 N/A GLY 6.A N SER 65.A OG no hydrogen 2.915 N/A ARG 8.A N VAL 5.A O no hydrogen 2.937 N/A ARG 8.A NH2 GLN 10.A OE1 no hydrogen 3.000 N/A GLN 10.A N ARG 3.A O no hydrogen 2.825 N/A GLN 10.A NE2 GLU 11.A O no hydrogen 2.920 N/A PHE 12.A N MET 1.A O no hydrogen 2.872 N/A GLU 16.A N SER 13.A OG no hydrogen 3.115 N/A PHE 17.A N SER 13.A O no hydrogen 3.059 N/A GLU 18.A N ASP 14.A O no hydrogen 2.879 N/A GLN 19.A N ALA 15.A O no hydrogen 3.150 N/A LEU 20.A N GLU 16.A O no hydrogen 3.142 N/A ARG 21.A N PHE 17.A O no hydrogen 2.821 N/A ARG 21.A NH1 GLU 18.A OE2 no hydrogen 3.009 N/A ARG 21.A NH1 SER 94.A O no hydrogen 2.700 N/A ARG 21.A NH2 SER 94.A O no hydrogen 2.643 N/A SER 22.A N GLU 18.A O no hydrogen 2.957 N/A SER 22.A OG GLU 18.A O no hydrogen 3.386 N/A SER 22.A OG GLN 19.A O no hydrogen 2.738 N/A GLN 23.A N LEU 20.A O no hydrogen 3.099 N/A TYR 24.A N ARG 21.A O no hydrogen 2.930 N/A ASP 25.A N SER 48.A O no hydrogen 2.826 N/A VAL 27.A N ASP 26.A OD1 no hydrogen 2.822 N/A VAL 28.A N LEU 50.A O no hydrogen 2.904 N/A LEU 29.A N GLU 98.A O no hydrogen 2.838 N/A ASP 30.A N VAL 52.A O no hydrogen 2.814 N/A VAL 31.A N HIS 100.A O no hydrogen 2.948 N/A GLY 32.A N LEU 54.A O no hydrogen 2.893 N/A THR 33.A N LEU 54.A O no hydrogen 2.847 N/A THR 33.A OG1 ASP 30.A OD2 no hydrogen 2.691 N/A GLY 34.A N ASP 55.A OD1 no hydrogen 2.774 N/A GLY 36.A N THR 33.A O no hydrogen 2.997 N/A LYS 37.A N ASP 35.A OD1 no hydrogen 3.130 N/A HIS 38.A ND1 LEU 189.A O no hydrogen 2.716 N/A HIS 38.A NE2 HIS 100.A ND1 no hydrogen 2.776 N/A TYR 40.A N GLY 36.A O no hydrogen 3.369 N/A TYR 40.A OH GLY 75.A O no hydrogen 2.586 N/A LYS 41.A N LYS 37.A O no hydrogen 3.123 N/A LYS 41.A NZ GLY 188.A O no hydrogen 2.767 N/A VAL 42.A N HIS 38.A O no hydrogen 2.938 N/A ALA 43.A N PRO 39.A O no hydrogen 2.803 N/A ARG 44.A N TYR 40.A O no hydrogen 2.929 N/A GLN 45.A N LYS 41.A O no hydrogen 2.934 N/A ASN 46.A N ALA 43.A O no hydrogen 3.294 N/A ASN 46.A ND2 VAL 42.A O no hydrogen 2.789 N/A SER 48.A OG ASP 25.A OD2 no hydrogen 3.508 N/A ARG 49.A N ASN 46.A O no hydrogen 3.075 N/A ARG 49.A NH1 ASN 46.A OD1 no hydrogen 3.240 N/A ARG 49.A NH2 GLU 98.A OE2 no hydrogen 2.456 N/A LEU 50.A N ASP 26.A O no hydrogen 2.879 N/A VAL 51.A N ASN 79.A O no hydrogen 2.810 N/A VAL 52.A N VAL 28.A O no hydrogen 2.801 N/A ALA 53.A N LEU 81.A O no hydrogen 2.862 N/A LEU 54.A N ASP 30.A O no hydrogen 2.939 N/A ASP 55.A N LEU 83.A O no hydrogen 3.280 N/A ASP 57.A N ASP 55.A OD2 no hydrogen 2.854 N/A SER 59.A N ASP 57.A OD1 no hydrogen 2.906 N/A SER 59.A OG ASP 57.A OD1 no hydrogen 2.586 N/A SER 59.A OG ASP 57.A OD2 no hydrogen 3.340 N/A ARG 60.A N ASP 57.A O no hydrogen 3.334 N/A MET 61.A N LYS 58.A O no hydrogen 3.241 N/A GLU 62.A N SER 59.A O no hydrogen 3.304 N/A SER 65.A N MET 61.A O no hydrogen 3.021 N/A SER 65.A OG MET 61.A O no hydrogen 2.732 N/A SER 65.A OG GLU 62.A O no hydrogen 3.145 N/A ALA 66.A N GLU 62.A O no hydrogen 3.135 N/A LYS 67.A N LYS 63.A O no hydrogen 3.137 N/A ALA 68.A N ILE 64.A O no hydrogen 2.851 N/A ALA 69.A N SER 65.A O no hydrogen 3.157 N/A ALA 69.A N ALA 66.A O no hydrogen 3.252 N/A ALA 70.A N LYS 67.A O no hydrogen 3.063 N/A LYS 74.A N LYS 71.A O no hydrogen 2.816 N/A GLY 75.A N PRO 72.A O no hydrogen 3.077 N/A GLY 76.A N LYS 71.A O no hydrogen 2.981 N/A LEU 77.A N ALA 68.A O no hydrogen 2.863 N/A ASN 79.A ND2 ALA 43.A O no hydrogen 3.016 N/A ASN 79.A ND2 ARG 49.A O no hydrogen 2.975 N/A LEU 81.A N VAL 51.A O no hydrogen 2.900 N/A TYR 82.A OH GLY 36.A O no hydrogen 2.729 N/A LEU 83.A N ALA 53.A O no hydrogen 2.772 N/A TRP 84.A N ARG 2.A O no hydrogen 2.925 N/A TRP 84.A NE1 ALA 56.A O no hydrogen 2.870 N/A ALA 85.A N ASP 55.A O no hydrogen 3.078 N/A GLU 88.A N GLU 88.A OE1 no hydrogen 2.778 N/A ARG 89.A N THR 86.A O no hydrogen 3.157 N/A ARG 89.A N THR 86.A OG1 no hydrogen 3.004 N/A LEU 93.A N PRO 91.A O no hydrogen 2.701 N/A VAL 96.A N VAL 126.A O no hydrogen 2.820 N/A GLY 97.A N VAL 27.A O no hydrogen 2.881 N/A GLU 98.A N VAL 27.A O no hydrogen 3.335 N/A LEU 99.A N SER 132.A O no hydrogen 2.885 N/A HIS 100.A N LEU 29.A O no hydrogen 2.835 N/A HIS 100.A ND1 HIS 38.A NE2 no hydrogen 2.776 N/A HIS 100.A NE2 GLU 98.A OE1 no hydrogen 2.639 N/A VAL 101.A N LEU 134.A O no hydrogen 2.843 N/A MET 103.A N ALA 136.A O no hydrogen 2.796 N/A GLY 106.A N GLU 148.A OE2 no hydrogen 2.817 N/A SER 107.A OG GLU 88.A OE2 no hydrogen 2.597 N/A ARG 110.A N GLY 106.A O no hydrogen 3.102 N/A GLY 111.A N SER 107.A O no hydrogen 2.850 N/A VAL 112.A N LEU 108.A O no hydrogen 3.017 N/A LEU 113.A N LEU 109.A O no hydrogen 3.194 N/A LEU 113.A N ARG 110.A O no hydrogen 3.269 N/A GLY 114.A N GLY 111.A O no hydrogen 3.045 N/A SER 116.A OG GLU 118.A OE1.A no hydrogen 2.524 N/A ARG 121.A N PRO 117.A O no hydrogen 2.898 N/A ARG 121.A NH2 GLU 170.A O no hydrogen 3.028 N/A GLY 122.A N GLU 118.A O no hydrogen 2.955 N/A MET 123.A N MET 119.A O no hydrogen 3.007 N/A ALA 124.A N LEU 120.A O no hydrogen 2.871 N/A ALA 125.A N ARG 121.A O no hydrogen 2.943 N/A VAL 126.A N MET 123.A O no hydrogen 3.274 N/A CYS 127.A N ALA 124.A O no hydrogen 2.987 N/A CYS 127.A SG MET 123.A O no hydrogen 3.610 N/A ARG 128.A N VAL 96.A O no hydrogen 2.976 N/A ARG 128.A NH1 ASP 26.A OD1 no hydrogen 2.876 N/A ARG 128.A NH1 ASP 26.A OD2 no hydrogen 3.538 N/A ARG 128.A NH2 ASP 26.A OD2 no hydrogen 2.949 N/A GLY 130.A N ILE 213.A O no hydrogen 2.804 N/A ALA 131.A N ARG 128.A O no hydrogen 3.027 N/A SER 132.A N GLY 97.A O no hydrogen 3.031 N/A PHE 133.A N GLY 211.A O no hydrogen 2.909 N/A LEU 134.A N LEU 99.A O no hydrogen 2.894 N/A VAL 135.A N LEU 209.A O no hydrogen 2.813 N/A ALA 136.A N VAL 101.A O no hydrogen 2.865 N/A LEU 137.A N LEU 207.A O no hydrogen 2.805 N/A LEU 139.A N ASP 205.A O no hydrogen 2.814 N/A HIS 140.A N ASN 138.A OD1 no hydrogen 2.932 N/A HIS 140.A NE2 ASP 205.A OD1 no hydrogen 2.727 N/A ALA 141.A N ASN 138.A O no hydrogen 3.134 N/A TRP 142.A N LEU 139.A O no hydrogen 2.896 N/A TRP 142.A NE1 HIS 152.A O no hydrogen 2.872 N/A ARG 143.A N HIS 140.A O no hydrogen 3.015 N/A ARG 143.A NE GLU 154.A OE1 no hydrogen 3.099 N/A ARG 143.A NH1 ASP 202.A OD2 no hydrogen 2.879 N/A ARG 143.A NH1 PHE 204.A O no hydrogen 2.893 N/A ARG 143.A NH2 GLU 154.A OE2 no hydrogen 2.822 N/A ARG 143.A NH2 PHE 204.A O no hydrogen 3.299 N/A VAL 146.A N ALA 141.A O no hydrogen 2.950 N/A GLU 148.A N GLU 148.A OE1 no hydrogen 2.682 N/A VAL 149.A N VAL 146.A O no hydrogen 3.207 N/A GLY 150.A N PRO 147.A O no hydrogen 3.083 N/A HIS 152.A N VAL 149.A O no hydrogen 2.930 N/A HIS 152.A ND1 VAL 149.A O no hydrogen 2.878 N/A THR 156.A N SER 159.A OG no hydrogen 2.756 N/A THR 156.A OG1 SER 159.A OG no hydrogen 3.166 N/A SER 159.A N THR 156.A OG1 no hydrogen 2.962 N/A SER 159.A OG THR 156.A O no hydrogen 3.336 N/A SER 159.A OG THR 156.A OG1 no hydrogen 3.166 N/A ALA 160.A N THR 156.A O no hydrogen 2.824 N/A ASP 161.A N PRO 157.A O no hydrogen 3.308 N/A GLU 162.A N ASP 158.A O no hydrogen 3.133 N/A GLU 162.A N SER 159.A O no hydrogen 2.896 N/A TRP 163.A N SER 159.A O no hydrogen 2.805 N/A LEU 164.A N ALA 160.A O no hydrogen 2.944 N/A ALA 165.A N ALA 160.A O no hydrogen 3.006 N/A ARG 167.A NH1 LEU 113.A O no hydrogen 2.940 N/A ARG 167.A NH1 HIS 152.A NE2 no hydrogen 2.679 N/A ARG 167.A NH2 HIS 152.A NE2 no hydrogen 3.511 N/A TYR 168.A N LEU 164.A O no hydrogen 2.862 N/A TYR 168.A OH VAL 112.A O no hydrogen 2.675 N/A ALA 169.A N ALA 165.A O no hydrogen 2.883 N/A GLU 170.A N PRO 166.A O no hydrogen 3.091 N/A ALA 171.A N TYR 168.A O no hydrogen 2.946 N/A GLY 172.A N ALA 169.A O no hydrogen 2.990 N/A TRP 173.A N TYR 168.A O no hydrogen 2.814 N/A TRP 173.A NE1 LEU 120.A O no hydrogen 2.894 N/A LYS 174.A N THR 212.A O no hydrogen 2.757 N/A LYS 174.A NZ.A THR 212.A OG1 no hydrogen 2.964 N/A ALA 176.A N THR 210.A O no hydrogen 2.876 N/A ASP 177.A N THR 210.A O no hydrogen 3.047 N/A CYS 178.A SG.A ASP 161.A OD2 no hydrogen 3.232 N/A CYS 178.A SG.B THR 156.A O no hydrogen 3.917 N/A CYS 178.A SG.B PRO 157.A O no hydrogen 3.946 N/A ARG 179.A N ALA 208.A O no hydrogen 2.991 N/A ARG 179.A NE.B ASP 177.A OD2 no hydrogen 2.713 N/A ARG 179.A NH1.A GLU 185.A OE1 no hydrogen 3.267 N/A ARG 179.A NH1.A GLU 185.A OE2 no hydrogen 3.044 N/A ARG 179.A NH2.A GLU 185.A OE1 no hydrogen 2.993 N/A ARG 179.A NH2.B ASP 177.A OD1 no hydrogen 3.120 N/A LEU 181.A N VAL 206.A O no hydrogen 3.041 N/A GLU 182.A N GLU 185.A OE2 no hydrogen 2.848 N/A GLU 185.A N GLU 182.A O no hydrogen 2.824 N/A VAL 186.A N GLU 182.A O no hydrogen 3.009 N/A ALA 187.A N PRO 183.A O no hydrogen 2.937 N/A GLY 188.A N GLU 184.A O no hydrogen 3.129 N/A LEU 189.A N VAL 186.A O no hydrogen 3.047 N/A GLU 190.A N ALA 187.A O no hydrogen 3.022 N/A TRP 193.A N THR 191.A OG1 no hydrogen 3.008 N/A THR 194.A N THR 191.A O no hydrogen 3.254 N/A THR 194.A OG1 THR 191.A O no hydrogen 3.200 N/A LEU 197.A N TRP 193.A O no hydrogen 2.848 N/A HIS 198.A N ARG 195.A O no hydrogen 3.170 N/A SER 200.A N LEU 197.A O no hydrogen 2.956 N/A SER 200.A OG ASP 205.A OD1 no hydrogen 2.721 N/A ASP 202.A N SER 200.A OG no hydrogen 3.071 N/A ARG 203.A NH1 GLU 182.A OE1 no hydrogen 2.860 N/A ARG 203.A NH1 ARG 203.A O no hydrogen 2.992 N/A ARG 203.A NH2 GLU 182.A OE1 no hydrogen 3.460 N/A ARG 203.A NH2 GLU 182.A OE2 no hydrogen 2.955 N/A LEU 207.A N LEU 137.A O no hydrogen 3.015 N/A ALA 208.A N ARG 179.A O no hydrogen 2.708 N/A LEU 209.A N VAL 135.A O no hydrogen 2.763 N/A THR 210.A N ASP 177.A O no hydrogen 2.902 N/A GLY 211.A N PHE 133.A O no hydrogen 3.267 N/A THR 212.A N LYS 174.A O no hydrogen 3.079 N/A ILE 213.A N ALA 131.A O no hydrogen 2.753 N/A SER 214.A N GLY 172.A O no hydrogen 2.781 N/A