Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4gqi_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 4.A N ASP 95.A OD2 no hydrogen 2.785 N/A VAL 5.A N THR 35.A O no hydrogen 2.773 N/A LEU 6.A N LEU 96.A O no hydrogen 2.888 N/A ILE 7.A N THR 37.A O no hydrogen 2.807 N/A VAL 8.A N ILE 98.A O no hydrogen 2.726 N/A TYR 9.A N SER 39.A O no hydrogen 2.916 N/A ALA 10.A N GLN 100.A O no hydrogen 2.958 N/A GLN 12.A N GLN 12.A OE1 no hydrogen 2.790 N/A GLN 12.A NE2 TYR 104.A OH no hydrogen 3.072 N/A GLU 13.A N HIS 11.A ND1 no hydrogen 3.039 N/A LYS 15.A N GLU 13.A OE2 no hydrogen 2.932 N/A SER 16.A N GLU 13.A O no hydrogen 3.072 N/A SER 16.A OG GLU 13.A O no hydrogen 2.641 N/A ASN 18.A ND2 THR 147.A OG1 no hydrogen 2.720 N/A GLY 19.A N SER 16.A OG no hydrogen 2.850 N/A SER 20.A N SER 16.A O no hydrogen 3.054 N/A SER 20.A OG SER 16.A O no hydrogen 3.404 N/A LEU 21.A N PHE 17.A O no hydrogen 3.074 N/A LYS 22.A N ASN 18.A O no hydrogen 2.972 N/A LYS 22.A NZ ASN 23.A OD1 no hydrogen 2.921 N/A ASN 23.A N GLY 19.A O no hydrogen 2.901 N/A VAL 24.A N SER 20.A O no hydrogen 2.839 N/A ALA 25.A N LEU 21.A O no hydrogen 3.079 N/A VAL 26.A N LYS 22.A O no hydrogen 2.918 N/A ASP 27.A N ASN 23.A O no hydrogen 2.873 N/A GLU 28.A N VAL 24.A O no hydrogen 2.803 N/A LEU 29.A N ALA 25.A O no hydrogen 2.964 N/A SER 30.A N VAL 26.A O no hydrogen 2.894 N/A ARG 31.A N ASP 27.A O no hydrogen 2.968 N/A ARG 31.A NE GLU 28.A OE1 no hydrogen 3.039 N/A ARG 31.A NH2 GLU 28.A OE2 no hydrogen 2.940 N/A GLN 32.A N GLU 28.A O no hydrogen 3.188 N/A GLN 32.A N LEU 29.A O no hydrogen 3.269 N/A GLN 32.A NE2 GLU 28.A OE2 no hydrogen 2.784 N/A GLN 32.A NE2 LEU 211.A O no hydrogen 2.723 N/A GLY 33.A N SER 30.A O no hydrogen 2.911 N/A CYS 34.A N LEU 29.A O no hydrogen 3.004 N/A CYS 34.A SG GLN 32.A OE1 no hydrogen 3.849 N/A THR 35.A N LYS 3.A O no hydrogen 2.861 N/A THR 37.A N VAL 5.A O no hydrogen 2.901 N/A SER 39.A N ILE 7.A O no hydrogen 2.779 N/A SER 39.A OG GLU 87.A OE1 no hydrogen 2.731 N/A SER 39.A OG GLU 87.A OE2 no hydrogen 3.445 N/A LEU 41.A N TYR 9.A O no hydrogen 3.001 N/A ALA 43.A N ASP 40.A OD1 no hydrogen 3.390 N/A MET 44.A N ASP 40.A O no hydrogen 2.961 N/A ASN 45.A N TYR 42.A O no hydrogen 2.959 N/A PHE 46.A N LEU 41.A O no hydrogen 2.964 N/A ARG 49.A N GLU 47.A OE2 no hydrogen 2.901 N/A ARG 49.A NH1 GLU 47.A OE1 no hydrogen 3.366 N/A ARG 49.A NH1 GLU 47.A OE2 no hydrogen 3.041 N/A THR 51.A N ASP 54.A OD2 no hydrogen 3.471 N/A LYS 53.A N THR 51.A OG1 no hydrogen 3.038 N/A ASP 54.A N THR 51.A O no hydrogen 2.875 N/A ILE 55.A N ASP 52.A O no hydrogen 3.505 N/A THR 56.A N SER 79.A O no hydrogen 2.884 N/A THR 56.A OG1 SER 79.A O no hydrogen 3.040 N/A THR 56.A OG1 SER 79.A OG no hydrogen 3.240 N/A SER 60.A N GLU 70.A OE1 no hydrogen 2.957 N/A ASN 61.A N GLU 70.A OE2 no hydrogen 2.766 N/A GLU 63.A N ASN 61.A OD1 no hydrogen 3.152 N/A TYR 67.A OH ASP 54.A OD2 no hydrogen 2.614 N/A VAL 69.A N ASN 66.A OD1 no hydrogen 3.241 N/A GLU 70.A N ASN 66.A O no hydrogen 2.906 N/A THR 71.A N TYR 67.A O no hydrogen 2.951 N/A THR 71.A OG1 TYR 67.A O no hydrogen 2.891 N/A THR 71.A OG1 GLY 68.A O no hydrogen 3.380 N/A HIS 72.A N GLY 68.A O no hydrogen 3.088 N/A GLU 73.A N VAL 69.A O no hydrogen 2.944 N/A ALA 74.A N GLU 70.A O no hydrogen 2.867 N/A TYR 75.A N THR 71.A O no hydrogen 2.815 N/A LYS 76.A N HIS 72.A O no hydrogen 3.239 N/A GLN 77.A N GLU 73.A O no hydrogen 2.911 N/A ARG 78.A N TYR 75.A O no hydrogen 3.264 N/A SER 79.A N ALA 74.A O no hydrogen 2.775 N/A SER 79.A OG THR 56.A O no hydrogen 2.898 N/A SER 79.A OG THR 56.A OG1 no hydrogen 3.240 N/A ALA 81.A N ASP 54.A O no hydrogen 2.813 N/A THR 85.A N ALA 81.A O no hydrogen 3.141 N/A THR 85.A OG1 ALA 81.A O no hydrogen 3.511 N/A THR 85.A OG1 SER 82.A O no hydrogen 3.542 N/A ASP 86.A N SER 82.A O no hydrogen 2.985 N/A GLU 87.A N ASP 83.A O no hydrogen 3.301 N/A GLN 88.A N ILE 84.A O no hydrogen 2.842 N/A GLN 88.A NE2 VAL 119.A O no hydrogen 2.891 N/A LYS 89.A N THR 85.A O no hydrogen 2.843 N/A LYS 90.A N ASP 86.A O no hydrogen 3.302 N/A LYS 90.A NZ SER 39.A OG no hydrogen 3.063 N/A LYS 90.A NZ GLU 87.A OE2 no hydrogen 2.538 N/A VAL 91.A N GLU 87.A O no hydrogen 2.946 N/A ARG 92.A N GLN 88.A O no hydrogen 2.748 N/A ARG 92.A NH2 TYR 75.A OH no hydrogen 3.137 N/A GLU 93.A N LYS 89.A O no hydrogen 3.023 N/A ALA 94.A N VAL 91.A O no hydrogen 3.084 N/A ASP 95.A N LYS 4.A O no hydrogen 2.579 N/A LEU 96.A N LYS 4.A O no hydrogen 3.146 N/A VAL 97.A N LEU 141.A O no hydrogen 2.887 N/A ILE 98.A N LEU 6.A O no hydrogen 2.838 N/A PHE 99.A N LEU 143.A O no hydrogen 2.930 N/A GLN 100.A N VAL 8.A O no hydrogen 2.870 N/A GLN 100.A NE2 ASN 18.A OD1 no hydrogen 2.754 N/A PHE 101.A N SER 145.A O no hydrogen 3.066 N/A LEU 103.A N THR 147.A O no hydrogen 2.760 N/A TYR 104.A N SER 107.A O no hydrogen 2.833 N/A SER 107.A N TYR 104.A O no hydrogen 3.038 N/A LEU 112.A N PRO 109.A O no hydrogen 2.999 N/A LYS 113.A N PRO 109.A O no hydrogen 3.029 N/A LYS 113.A NZ ASP 117.A OD1 no hydrogen 2.832 N/A GLY 114.A N ALA 110.A O no hydrogen 2.815 N/A TRP 115.A N ILE 111.A O no hydrogen 3.173 N/A TRP 115.A NE1 GLU 87.A OE1 no hydrogen 2.769 N/A MET 116.A N LEU 112.A O no hydrogen 3.018 N/A ASP 117.A N LYS 113.A O no hydrogen 2.886 N/A ARG 118.A N GLY 114.A O no hydrogen 2.929 N/A ARG 118.A NE ASP 54.A OD1 no hydrogen 3.360 N/A ARG 118.A NE ASP 54.A OD2 no hydrogen 2.931 N/A ARG 118.A NH1 ASP 83.A OD2 no hydrogen 3.034 N/A ARG 118.A NH2 ASP 54.A OD1 no hydrogen 2.954 N/A ARG 118.A NH2 ASP 83.A OD1 no hydrogen 3.048 N/A ARG 118.A NH2 ASP 83.A OD2 no hydrogen 3.065 N/A VAL 119.A N TRP 115.A O no hydrogen 2.807 N/A LEU 120.A N MET 116.A O no hydrogen 3.210 N/A CYS 121.A SG GLN 122.A O no hydrogen 3.744 N/A GLN 122.A NE2 ASP 127.A OD1 no hydrogen 2.928 N/A GLY 123.A N PHE 126.A O no hydrogen 2.766 N/A PHE 124.A N CYS 121.A O no hydrogen 3.104 N/A ALA 125.A N CYS 121.A O no hydrogen 2.960 N/A ASP 127.A N GLY 130.A O no hydrogen 2.893 N/A ILE 128.A N ASP 127.A OD1 no hydrogen 3.034 N/A TYR 132.A N PHE 178.A O no hydrogen 2.870 N/A SER 134.A OG PHE 131.A O no hydrogen 3.538 N/A GLY 135.A N TYR 132.A O no hydrogen 2.804 N/A LEU 136.A N ALA 125.A O no hydrogen 3.263 N/A LEU 137.A N CYS 179.A O no hydrogen 2.981 N/A GLN 138.A N GLY 135.A O no hydrogen 3.022 N/A LYS 140.A N LEU 137.A O no hydrogen 3.158 N/A LYS 140.A NZ VAL 91.A O no hydrogen 3.043 N/A LYS 140.A NZ ARG 92.A O no hydrogen 2.719 N/A LYS 140.A NZ ALA 94.A O no hydrogen 2.807 N/A LEU 141.A N ASP 95.A O no hydrogen 2.927 N/A ALA 142.A N LYS 182.A O no hydrogen 2.805 N/A LEU 143.A N VAL 97.A O no hydrogen 2.991 N/A SER 145.A N PHE 99.A O no hydrogen 2.744 N/A SER 145.A OG GLN 100.A OE1 no hydrogen 2.653 N/A VAL 146.A N GLN 187.A O no hydrogen 2.876 N/A THR 147.A N PHE 101.A O no hydrogen 3.027 N/A THR 148.A N SER 189.A O no hydrogen 3.208 N/A THR 148.A OG1 GLY 150.A O no hydrogen 2.549 N/A MET 154.A N THR 151.A OG1 no hydrogen 3.312 N/A TYR 155.A N THR 151.A O no hydrogen 3.248 N/A TYR 155.A N ALA 152.A O no hydrogen 3.019 N/A THR 156.A OG1 GLU 153.A O no hydrogen 3.053 N/A GLY 159.A N THR 156.A O no hydrogen 2.759 N/A ASN 161.A N MET 154.A O no hydrogen 2.996 N/A GLY 162.A N GLY 159.A O no hydrogen 3.269 N/A ARG 165.A N ASP 163.A OD1 no hydrogen 3.138 N/A ARG 165.A NH1 TRP 226.A O no hydrogen 2.871 N/A TYR 166.A N ASP 163.A O no hydrogen 2.942 N/A PHE 167.A N SER 164.A O no hydrogen 3.157 N/A LEU 168.A N ARG 165.A O no hydrogen 3.247 N/A GLN 172.A N LEU 168.A O no hydrogen 2.592 N/A HIS 173.A N TRP 169.A O no hydrogen 2.824 N/A GLY 174.A N TRP 169.A O no hydrogen 2.895 N/A THR 175.A OG1 PRO 170.A O no hydrogen 2.831 N/A LEU 176.A N LEU 171.A O no hydrogen 2.952 N/A HIS 177.A N GLN 172.A O no hydrogen 2.866 N/A HIS 177.A ND1 HIS 173.A ND1 no hydrogen 3.181 N/A HIS 177.A NE2 ASP 133.A OD1 no hydrogen 2.733 N/A PHE 178.A N HIS 173.A O no hydrogen 3.143 N/A CYS 179.A N THR 175.A O no hydrogen 3.126 N/A CYS 179.A SG THR 175.A O no hydrogen 3.412 N/A GLY 180.A N HIS 177.A O no hydrogen 2.762 N/A PHE 181.A N LEU 176.A O no hydrogen 3.163 N/A LYS 182.A N LYS 140.A O no hydrogen 2.883 N/A LEU 184.A N ALA 142.A O no hydrogen 2.785 N/A GLN 187.A N LEU 144.A O no hydrogen 2.795 N/A SER 189.A N VAL 146.A O no hydrogen 2.777 N/A ALA 191.A N THR 148.A OG1 no hydrogen 3.100 N/A ILE 194.A N ALA 191.A O no hydrogen 3.270 N/A ALA 195.A N ALA 191.A O no hydrogen 3.318 N/A ALA 195.A N PRO 192.A O no hydrogen 3.254 N/A ARG 200.A N SER 196.A O no hydrogen 2.770 N/A LYS 201.A N GLU 197.A O no hydrogen 3.070 N/A GLY 202.A N GLU 198.A O no hydrogen 2.912 N/A MET 203.A N GLU 199.A O no hydrogen 2.857 N/A VAL 204.A N ARG 200.A O no hydrogen 2.826 N/A ALA 205.A N LYS 201.A O no hydrogen 2.793 N/A ALA 206.A N GLY 202.A O no hydrogen 2.820 N/A TRP 207.A N MET 203.A O no hydrogen 3.164 N/A TRP 207.A NE1 LEU 21.A O no hydrogen 3.038 N/A SER 208.A N VAL 204.A O no hydrogen 2.883 N/A GLN 209.A N ALA 205.A O no hydrogen 2.785 N/A ARG 210.A N ALA 206.A O no hydrogen 2.799 N/A ARG 210.A NE GLU 217.A OE2 no hydrogen 2.926 N/A ARG 210.A NH1 ALA 185.A O no hydrogen 2.945 N/A ARG 210.A NH2 ALA 185.A O no hydrogen 2.864 N/A ARG 210.A NH2 GLU 217.A OE1 no hydrogen 2.821 N/A LEU 211.A N TRP 207.A O no hydrogen 2.955 N/A GLN 212.A N SER 208.A O no hydrogen 3.290 N/A GLN 212.A N GLN 209.A O no hydrogen 3.080 N/A THR 213.A N ARG 210.A O no hydrogen 2.999 N/A ILE 214.A N LEU 211.A O no hydrogen 3.378 N/A LYS 216.A N THR 213.A O no hydrogen 3.053 N/A GLU 217.A N ILE 214.A O no hydrogen 3.435 N/A ILE 220.A N VAL 183.A O no hydrogen 2.807 N/A CYS 222.A SG HIS 173.A ND1 no hydrogen 3.851 N/A CYS 222.A SG HIS 177.A ND1 no hydrogen 3.793 N/A THR 223.A N PRO 221.A O no hydrogen 2.623 N/A THR 223.A OG1 PRO 221.A O no hydrogen 3.489 N/A TRP 226.A N THR 223.A OG1 no hydrogen 2.808 N/A HIS 227.A N THR 223.A O no hydrogen 3.112 N/A HIS 227.A ND1 THR 223.A O no hydrogen 2.855 N/A PHE 228.A N ALA 224.A O no hydrogen 2.925 N/A GLY 229.A N HIS 225.A O no hydrogen 2.837 N/A