Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3hqg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 7.A N PRO 4.A O no hydrogen 3.368 N/A LEU 9.A N ASP 6.A O no hydrogen 3.100 N/A ARG 10.A N ASP 6.A O no hydrogen 2.748 N/A ARG 10.A NH1 GLU 16.A OE1 no hydrogen 2.739 N/A SER 13.A N GLU 16.A OE1 no hydrogen 3.103 N/A SER 13.A OG SER 15.A OG no hydrogen 3.193 N/A SER 13.A OG GLU 16.A OE1 no hydrogen 3.461 N/A SER 15.A OG SER 13.A OG no hydrogen 3.193 N/A GLU 16.A N SER 13.A OG no hydrogen 3.262 N/A ILE 17.A N SER 13.A O no hydrogen 3.029 N/A ILE 18.A N GLY 14.A O no hydrogen 3.235 N/A GLN 19.A N SER 15.A O no hydrogen 2.751 N/A TYR 20.A N GLU 16.A O no hydrogen 3.011 N/A TYR 20.A OH ILE 2.A O no hydrogen 2.824 N/A ALA 21.A N ILE 17.A O no hydrogen 2.762 N/A ALA 22.A N ILE 18.A O no hydrogen 2.796 N/A SER 23.A N TYR 20.A O no hydrogen 3.320 N/A SER 23.A OG TYR 20.A O no hydrogen 2.741 N/A HIS 24.A N ALA 21.A O no hydrogen 2.898 N/A TYR 25.A N ALA 22.A O no hydrogen 3.450 N/A GLN 35.A N ASP 31.A O no hydrogen 2.972 N/A LEU 36.A N PRO 32.A O no hydrogen 3.110 N/A ASP 38.A N GLU 34.A O no hydrogen 3.011 N/A ARG 39.A N GLN 35.A O no hydrogen 2.830 N/A ARG 39.A NH1 GLU 98.A OE1 no hydrogen 3.325 N/A ARG 39.A NH1 GLU 98.A OE2 no hydrogen 3.112 N/A ARG 39.A NH2 GLU 98.A OE1 no hydrogen 2.756 N/A ARG 40.A N LEU 36.A O no hydrogen 2.795 N/A ARG 40.A NH1 ALA 84.A O no hydrogen 2.979 N/A ARG 41.A N LEU 37.A O no hydrogen 3.137 N/A ARG 41.A NH2 ASP 38.A OD1 no hydrogen 2.632 N/A VAL 42.A N ASP 38.A O no hydrogen 2.931 N/A GLU 43.A N ARG 39.A O no hydrogen 2.990 N/A TYR 44.A N ARG 40.A O no hydrogen 2.805 N/A ASP 45.A N ARG 41.A O no hydrogen 3.177 N/A ILE 46.A N VAL 42.A O no hydrogen 3.314 N/A PHE 47.A N GLU 43.A O no hydrogen 2.960 N/A LEU 48.A N TYR 44.A O no hydrogen 2.774 N/A LEU 49.A N ASP 45.A O no hydrogen 3.445 N/A VAL 50.A N ILE 46.A O no hydrogen 3.096 N/A GLU 51.A N PHE 47.A O no hydrogen 2.894 N/A GLU 52.A N LEU 48.A O no hydrogen 3.055 N/A LEU 53.A N LEU 49.A O no hydrogen 3.267 N/A HIS 54.A N GLU 51.A O no hydrogen 3.081 N/A HIS 54.A NE2 TRP 7.A O no hydrogen 3.095 N/A VAL 55.A N GLU 51.A O no hydrogen 3.081 N/A VAL 55.A N GLU 52.A O no hydrogen 3.304 N/A LEU 56.A N GLU 52.A O no hydrogen 2.915 N/A ILE 59.A N VAL 55.A O no hydrogen 2.767 N/A ARG 60.A N LEU 56.A O no hydrogen 3.266 N/A GLY 64.A N GLU 68.A OE1 no hydrogen 2.698 N/A PHE 69.A N SER 65.A O no hydrogen 3.178 N/A ILE 70.A N VAL 66.A O no hydrogen 2.817 N/A ALA 73.A N PHE 69.A O no hydrogen 2.873 N/A ASN 74.A N ILE 70.A O no hydrogen 2.862 N/A SER 75.A N ALA 71.A O no hydrogen 3.042 N/A VAL 76.A N LEU 72.A O no hydrogen 2.745 N/A SER 77.A N ALA 73.A O no hydrogen 3.060 N/A SER 77.A OG ALA 73.A O no hydrogen 2.719 N/A ASN 78.A N ASN 74.A O no hydrogen 2.825 N/A ARG 79.A N SER 75.A O no hydrogen 2.880 N/A ARG 79.A N VAL 76.A O no hydrogen 3.143 N/A ARG 80.A N VAL 76.A O no hydrogen 3.201 N/A ARG 80.A NE GLU 51.A OE1 no hydrogen 2.915 N/A ARG 80.A NH2 GLU 51.A OE2 no hydrogen 3.035 N/A LYS 81.A N SER 77.A O no hydrogen 3.054 N/A SER 82.A N ASN 78.A O no hydrogen 3.233 N/A ARG 83.A N ARG 79.A O no hydrogen 3.094 N/A ARG 83.A NH1 PRO 12.A O no hydrogen 2.773 N/A ARG 83.A NH2 PRO 12.A O no hydrogen 3.131 N/A ALA 84.A N ARG 80.A O no hydrogen 2.840 N/A GLY 85.A N LYS 81.A O no hydrogen 3.475 N/A SER 87.A N ARG 83.A O no hydrogen 2.986 N/A SER 87.A OG GLU 43.A OE1 no hydrogen 2.483 N/A SER 87.A OG GLU 43.A OE2 no hydrogen 3.248 N/A LEU 88.A N ALA 84.A O no hydrogen 3.388 N/A GLU 89.A N GLY 85.A O no hydrogen 3.388 N/A LEU 90.A N LYS 86.A O no hydrogen 2.989 N/A HIS 91.A N SER 87.A O no hydrogen 2.898 N/A HIS 91.A NE2 GLU 43.A OE1 no hydrogen 2.629 N/A LEU 92.A N LEU 88.A O no hydrogen 3.105 N/A LEU 92.A N GLU 89.A O no hydrogen 3.223 N/A GLU 93.A N GLU 89.A O no hydrogen 3.033 N/A HIS 94.A N LEU 90.A O no hydrogen 2.966 N/A LEU 95.A N HIS 91.A O no hydrogen 3.196 N/A PHE 96.A N LEU 92.A O no hydrogen 2.844 N/A ILE 97.A N GLU 93.A O no hydrogen 3.274 N/A GLU 98.A N HIS 94.A O no hydrogen 3.063 N/A HIS 99.A N LEU 95.A O no hydrogen 3.063 N/A HIS 99.A N PHE 96.A O no hydrogen 3.408 N/A HIS 99.A NE2 GLN 35.A OE1 no hydrogen 2.669 N/A LEU 101.A N PHE 96.A O no hydrogen 2.752 N/A PHE 104.A N ARG 102.A O no hydrogen 3.187 N/A ALA 105.A N LEU 119.A O no hydrogen 2.832 N/A THR 110.A OG1 GLU 111.A OE2 no hydrogen 3.338 N/A THR 110.A OG1 LYS 114.A O no hydrogen 2.863 N/A THR 110.A OG1 GLU 155.A O no hydrogen 2.761 N/A LYS 114.A NZ GLU 155.A OE2 no hydrogen 3.501 N/A PHE 118.A N LEU 139.A O no hydrogen 3.088 N/A LEU 119.A N ALA 105.A O no hydrogen 3.107 N/A PHE 120.A N ARG 137.A O no hydrogen 2.768 N/A SER 122.A OG PRO 121.A O no hydrogen 3.105 N/A TYR 126.A N SER 122.A O no hydrogen 3.135 N/A TYR 126.A OH GLU 111.A OE1 no hydrogen 2.547 N/A HIS 127.A N ALA 123.A O no hydrogen 3.413 N/A HIS 127.A N GLY 124.A O no hydrogen 3.014 N/A HIS 127.A ND1 ALA 123.A O no hydrogen 3.148 N/A HIS 127.A NE2 THR 110.A O no hydrogen 2.807 N/A ASP 128.A N ALA 125.A O no hydrogen 3.166 N/A GLU 130.A N ASP 128.A OD2 no hydrogen 3.071 N/A PHE 131.A N ASP 128.A O no hydrogen 3.226 N/A ASN 135.A N PRO 132.A O no hydrogen 2.761 N/A LEU 136.A N VAL 133.A O no hydrogen 3.320 N/A ARG 137.A N PHE 120.A O no hydrogen 3.077 N/A ARG 137.A NH1 GLU 134.A O no hydrogen 2.611 N/A ARG 137.A NH1 LEU 136.A O no hydrogen 2.992 N/A LEU 139.A N PHE 118.A O no hydrogen 2.855 N/A ALA 140.A N HIS 163.A O no hydrogen 2.894 N/A LYS 142.A N PHE 165.A O no hydrogen 2.793 N/A CYS 145.A N GLN 168.A OE1 no hydrogen 2.874 N/A CYS 145.A SG THR 166.A OG1 no hydrogen 3.447 N/A LYS 146.A N GLN 168.A OE1 no hydrogen 3.055 N/A ARG 148.A N CYS 145.A O no hydrogen 2.852 N/A ARG 148.A NH1 THR 144.A O no hydrogen 3.138 N/A ARG 148.A NH2 THR 144.A O no hydrogen 2.702 N/A ARG 150.A NH2 GLU 178.A OE1 no hydrogen 2.854 N/A GLN 151.A N ARG 148.A O no hydrogen 3.114 N/A ILE 152.A N TRP 149.A O no hydrogen 2.996 N/A GLU 155.A N LEU 153.A O no hydrogen 2.486 N/A ASP 157.A N GLU 111.A OE2 no hydrogen 3.326 N/A LYS 158.A N TYR 126.A OH no hydrogen 3.384 N/A LYS 158.A NZ TYR 126.A O no hydrogen 2.808 N/A ILE 159.A N ALA 156.A O no hydrogen 2.717 N/A VAL 162.A N GLY 183.A O no hydrogen 2.917 N/A HIS 163.A N MET 138.A O no hydrogen 3.066 N/A LEU 164.A N ARG 185.A O no hydrogen 2.790 N/A PHE 165.A N ALA 140.A O no hydrogen 2.739 N/A THR 166.A N VAL 187.A O no hydrogen 3.168 N/A THR 166.A OG1 LYS 142.A O no hydrogen 2.755 N/A THR 166.A OG1 THR 143.A O no hydrogen 3.205 N/A LEU 167.A N THR 143.A O no hydrogen 3.071 N/A GLN 168.A N THR 166.A OG1 no hydrogen 3.198 N/A GLN 168.A NE2 GLY 170.A O no hydrogen 2.967 N/A GLY 170.A N GLN 168.A O no hydrogen 2.793 N/A GLN 175.A N SER 172.A OG no hydrogen 3.149 N/A TYR 176.A N SER 172.A O no hydrogen 2.753 N/A TYR 176.A OH GLU 203.A OE1 no hydrogen 2.781 N/A ARG 177.A N LEU 173.A O no hydrogen 3.006 N/A GLU 178.A N ALA 174.A O no hydrogen 3.435 N/A MET 179.A N GLN 175.A O no hydrogen 3.300 N/A ARG 180.A N TYR 176.A O no hydrogen 2.951 N/A GLU 181.A N ARG 177.A O no hydrogen 3.071 N/A SER 182.A N GLU 178.A O no hydrogen 3.072 N/A SER 182.A OG GLU 178.A O no hydrogen 3.120 N/A GLY 183.A N ARG 180.A O no hydrogen 2.795 N/A VAL 184.A N MET 179.A O no hydrogen 2.690 N/A ARG 185.A N VAL 162.A O no hydrogen 2.775 N/A ARG 185.A NE GLU 203.A O no hydrogen 2.693 N/A ARG 185.A NH1 GLU 203.A O no hydrogen 3.351 N/A VAL 187.A N LEU 164.A O no hydrogen 2.751 N/A VAL 188.A N MET 205.A O no hydrogen 2.650 N/A SER 190.A N ASP 33.A OD2 no hydrogen 2.804 N/A LEU 192.A N PRO 189.A O no hydrogen 2.756 N/A HIS 193.A N SER 190.A O no hydrogen 3.167 N/A HIS 193.A NE2 VAL 188.A O no hydrogen 2.680 N/A LYS 195.A N LEU 192.A O no hydrogen 3.070 N/A TYR 196.A N HIS 193.A O no hydrogen 2.996 N/A TYR 196.A OH GLN 168.A O no hydrogen 2.936 N/A VAL 200.A N PRO 197.A O no hydrogen 2.871 N/A ARG 201.A N PRO 197.A O no hydrogen 3.042 N/A ARG 201.A NH1 TYR 196.A O no hydrogen 3.315 N/A GLU 203.A N VAL 200.A O no hydrogen 2.913 N/A LEU 204.A N ARG 201.A O no hydrogen 3.459 N/A MET 205.A N LEU 186.A O no hydrogen 3.161 N/A LEU 207.A N ASP 33.A OD2 no hydrogen 2.984 N/A GLY 208.A N ASP 33.A OD1 no hydrogen 2.833 N/A ALA 209.A N THR 206.A OG1 no hydrogen 3.160 N/A PHE 210.A N THR 206.A O no hydrogen 3.112 N/A ILE 211.A N LEU 207.A O no hydrogen 3.027 N/A ALA 212.A N GLY 208.A O no hydrogen 2.987 N/A GLU 213.A N ALA 209.A O no hydrogen 2.879 N/A LEU 214.A N PHE 210.A O no hydrogen 3.112 N/A THR 215.A N ILE 211.A O no hydrogen 2.808 N/A THR 215.A OG1 ILE 211.A O no hydrogen 2.564 N/A GLY 216.A N ALA 212.A O no hydrogen 3.228 N/A LEU 217.A N GLU 213.A O no hydrogen 2.979 N/A TYR 218.A N LEU 214.A O no hydrogen 2.960 N/A TYR 218.A OH ASN 135.A O no hydrogen 2.713 N/A ALA 219.A N GLY 216.A O no hydrogen 3.456 N/A ILE 221.A N TYR 218.A O no hydrogen 3.102 N/A