Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1keq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 3.A N GLU 181.A OE2 no hydrogen 2.724 N/A ARG 3.A NH2 GLU 181.A O no hydrogen 3.382 N/A GLN 4.A NE2 LEU 179.A O no hydrogen 3.439 N/A GLN 4.A NE2 GLU 181.A OE2 no hydrogen 2.980 N/A SER 5.A N SER 173.A OG no hydrogen 3.101 N/A SER 5.A OG TYR 170.A OH no hydrogen 2.928 N/A SER 5.A OG SER 173.A O no hydrogen 3.558 N/A ILE 9.A N ALA 84.A O no hydrogen 2.699 N/A GLN 10.A NE2 ASN 8.A O no hydrogen 3.285 N/A TRP 11.A N ASP 86.A OD1 no hydrogen 2.872 N/A ASP 13.A N GLN 10.A O no hydrogen 3.079 N/A SER 14.A N TRP 11.A O no hydrogen 3.041 N/A SER 14.A OG GLN 10.A O no hydrogen 2.912 N/A VAL 15.A N LEU 232.A O no hydrogen 3.025 N/A ASP 17.A N SER 234.A O no hydrogen 3.039 N/A GLN 19.A N ASP 17.A OD1 no hydrogen 3.049 N/A LEU 20.A N ASP 17.A O no hydrogen 3.269 N/A ARG 24.A N SER 56.A O no hydrogen 2.702 N/A SER 26.A N GLY 54.A O no hydrogen 3.066 N/A TYR 27.A OH HIS 98.A NE2 no hydrogen 2.845 N/A ASP 28.A N SER 53.A OG no hydrogen 2.926 N/A ALA 30.A N ASP 28.A OD1 no hydrogen 3.277 N/A SER 31.A N ASP 28.A O no hydrogen 2.946 N/A SER 31.A OG ASP 28.A O no hydrogen 2.562 N/A CYS 32.A N ALA 29.A O no hydrogen 3.133 N/A ARG 33.A N GLU 45.A O no hydrogen 2.945 N/A ARG 33.A NH1 ALA 30.A O no hydrogen 2.839 N/A ARG 33.A NH1 CYS 32.A O no hydrogen 2.960 N/A ARG 33.A NH2 ASP 47.A OD2 no hydrogen 2.910 N/A LEU 35.A N VAL 150.A O no hydrogen 2.830 N/A TRP 36.A N GLN 43.A O no hydrogen 2.790 N/A TRP 36.A NE1 GLU 45.A OE2 no hydrogen 2.876 N/A ASN 37.A N THR 148.A O no hydrogen 3.044 N/A ASN 37.A ND2 VAL 143.A O no hydrogen 3.093 N/A ASN 37.A ND2 LEU 206.A O no hydrogen 3.010 N/A THR 38.A N ALA 41.A O no hydrogen 2.886 N/A THR 38.A OG1 ALA 41.A O no hydrogen 3.284 N/A GLY 39.A N ASN 37.A OD1 no hydrogen 2.731 N/A TYR 40.A N THR 38.A OG1 no hydrogen 3.095 N/A ALA 41.A N THR 38.A OG1 no hydrogen 3.026 N/A GLN 43.A N TRP 36.A O no hydrogen 2.765 N/A GLN 43.A NE2 GLU 45.A OE2 no hydrogen 2.612 N/A VAL 44.A N PHE 69.A O no hydrogen 2.915 N/A GLU 45.A N TYR 34.A O no hydrogen 2.823 N/A PHE 46.A N LYS 67.A O no hydrogen 2.884 N/A ASP 47.A N SER 31.A O no hydrogen 2.843 N/A SER 49.A N ASP 47.A OD1 no hydrogen 3.103 N/A SER 49.A OG ASP 47.A OD1 no hydrogen 2.663 N/A CYS 50.A SG ASP 52.A OD1 no hydrogen 2.783 N/A GLY 54.A N SER 26.A O no hydrogen 2.950 N/A ILE 55.A N TYR 64.A O no hydrogen 2.984 N/A SER 56.A N ARG 24.A O no hydrogen 3.016 N/A GLY 58.A N ALA 21.A O no hydrogen 2.958 N/A LEU 60.A N GLY 57.A O no hydrogen 2.970 N/A ASN 62.A ND2 HIS 63.A O no hydrogen 3.015 N/A ASN 62.A ND2 ASN 100.A OD1 no hydrogen 2.853 N/A TYR 64.A N ILE 55.A O no hydrogen 2.794 N/A TYR 64.A OH ASN 115.A O no hydrogen 3.165 N/A ARG 65.A N TRP 99.A O no hydrogen 2.963 N/A ARG 65.A NH1 ASP 48.A O no hydrogen 2.973 N/A ARG 65.A NH2 GLU 51.A OE1 no hydrogen 3.320 N/A LEU 66.A N SER 53.A O no hydrogen 2.913 N/A LYS 67.A N VAL 97.A O no hydrogen 2.992 N/A GLN 68.A N VAL 97.A O no hydrogen 3.499 N/A PHE 69.A N VAL 44.A O no hydrogen 3.143 N/A HIS 70.A N HIS 95.A O no hydrogen 2.886 N/A HIS 70.A ND1 GLN 68.A OE1 no hydrogen 2.929 N/A HIS 72.A N GLU 93.A O no hydrogen 2.911 N/A HIS 72.A ND1 ASN 220.A O no hydrogen 2.666 N/A TRP 73.A N ASN 220.A OD1 no hydrogen 2.748 N/A TRP 73.A NE1 MET 217.A O no hydrogen 2.839 N/A ALA 75.A N ASN 219.A OD1 no hydrogen 2.859 N/A GLU 78.A N THR 76.A OG1 no hydrogen 3.224 N/A TRP 79.A NE1 ASN 219.A OD1 no hydrogen 2.777 N/A SER 81.A N TYR 90.A O no hydrogen 2.817 N/A SER 81.A OG HIS 83.A O no hydrogen 2.918 N/A SER 81.A OG TYR 90.A O no hydrogen 3.400 N/A GLU 82.A N GLU 93.A OE1 no hydrogen 2.792 N/A HIS 83.A N GLU 93.A OE1 no hydrogen 2.807 N/A HIS 83.A ND1 GLU 93.A OE2 no hydrogen 2.815 N/A HIS 83.A NE2 TYR 170.A OH no hydrogen 2.625 N/A ALA 84.A N ILE 7.A O no hydrogen 3.234 N/A VAL 85.A N HIS 88.A O no hydrogen 2.960 N/A ASP 86.A N ILE 9.A O no hydrogen 2.747 N/A GLY 87.A N ASN 8.A OD1 no hydrogen 2.804 N/A HIS 88.A N VAL 85.A O no hydrogen 2.857 N/A TYR 90.A N SER 81.A OG no hydrogen 2.832 N/A GLU 93.A N HIS 72.A O no hydrogen 2.866 N/A LEU 94.A N VAL 122.A O no hydrogen 2.676 N/A HIS 95.A N HIS 70.A O no hydrogen 2.811 N/A HIS 95.A NE2 GLU 93.A OE2 no hydrogen 2.633 N/A LEU 96.A N ILE 120.A O no hydrogen 2.893 N/A VAL 97.A N GLN 68.A O no hydrogen 2.753 N/A HIS 98.A N ALA 118.A O no hydrogen 2.988 N/A HIS 98.A ND1 ALA 118.A O no hydrogen 2.860 N/A HIS 98.A NE2 TYR 27.A OH no hydrogen 2.845 N/A TRP 99.A N ARG 65.A O no hydrogen 2.923 N/A TRP 99.A NE1 ASP 48.A OD2 no hydrogen 2.760 N/A ASN 100.A N GLY 116.A O no hydrogen 2.764 N/A ASN 100.A ND2 ASN 115.A O no hydrogen 3.080 N/A SER 101.A OG GLU 51.A OE1 no hydrogen 3.113 N/A THR 102.A N ASN 100.A OD1 no hydrogen 3.035 N/A LYS 103.A N ASN 100.A OD1 no hydrogen 2.964 N/A TYR 104.A N ASN 100.A O no hydrogen 2.916 N/A TYR 104.A OH GLU 114.A O no hydrogen 2.653 N/A LYS 108.A NZ ASN 106.A OD1 no hydrogen 2.746 N/A LYS 109.A N ASN 106.A OD1 no hydrogen 2.771 N/A ALA 110.A N ASN 106.A O no hydrogen 2.967 N/A SER 111.A N CYS 107.A O no hydrogen 2.630 N/A SER 111.A OG LYS 108.A O no hydrogen 2.663 N/A VAL 112.A N LYS 109.A O no hydrogen 3.284 N/A GLY 113.A N ALA 110.A O no hydrogen 3.143 N/A GLY 116.A N GLY 113.A O no hydrogen 2.928 N/A LEU 117.A N SER 182.A O no hydrogen 2.768 N/A ALA 118.A N HIS 98.A O no hydrogen 2.974 N/A VAL 119.A N THR 184.A O no hydrogen 3.232 N/A ILE 120.A N LEU 96.A O no hydrogen 2.945 N/A GLY 121.A N ILE 186.A O no hydrogen 2.779 N/A VAL 122.A N LEU 94.A O no hydrogen 2.803 N/A LEU 124.A N ALA 92.A O no hydrogen 2.971 N/A LYS 125.A N VAL 192.A O no hydrogen 2.920 N/A GLY 127.A N VAL 194.A O no hydrogen 2.913 N/A ALA 128.A N GLU 193.A OE1 no hydrogen 2.823 N/A HIS 129.A NE2 GLN 134.A OE1 no hydrogen 3.220 N/A HIS 130.A N GLN 198.A OE1 no hydrogen 3.010 N/A LEU 133.A N HIS 130.A ND1 no hydrogen 3.074 N/A GLN 134.A N HIS 130.A O no hydrogen 3.055 N/A GLN 134.A NE2 ASP 138.A OD1 no hydrogen 2.644 N/A LYS 135.A N ALA 132.A O no hydrogen 3.062 N/A LEU 136.A N LEU 133.A O no hydrogen 2.932 N/A VAL 137.A N LEU 133.A O no hydrogen 2.983 N/A ASP 138.A N GLN 134.A O no hydrogen 2.875 N/A VAL 139.A N LEU 136.A O no hydrogen 3.182 N/A LEU 140.A N VAL 137.A O no hydrogen 3.018 N/A GLU 142.A N VAL 139.A O no hydrogen 2.796 N/A VAL 143.A N LEU 140.A O no hydrogen 3.038 N/A ARG 144.A NH1 THR 204.A O no hydrogen 3.206 N/A ARG 144.A NH2 GLU 214.A OE2 no hydrogen 2.594 N/A LYS 146.A N SER 208.A O no hydrogen 2.947 N/A ASP 147.A N ASN 37.A O no hydrogen 2.702 N/A THR 148.A N HIS 145.A O no hydrogen 3.099 N/A THR 148.A OG1 HIS 145.A O no hydrogen 2.595 N/A VAL 150.A N LEU 35.A O no hydrogen 2.867 N/A MET 152.A N ARG 33.A O no hydrogen 2.956 N/A PHE 155.A N ALA 29.A O no hydrogen 3.064 N/A SER 158.A N ASP 156.A OD1 no hydrogen 2.794 N/A CYS 159.A N ASP 156.A O no hydrogen 2.960 N/A LEU 160.A N PRO 157.A O no hydrogen 2.902 N/A MET 161.A N SER 158.A O no hydrogen 3.070 N/A CYS 164.A SG THR 190.A OG1 no hydrogen 3.315 N/A ARG 165.A NE PRO 162.A O no hydrogen 2.699 N/A TYR 167.A N SER 235.A OG no hydrogen 2.864 N/A TRP 168.A N VAL 187.A O no hydrogen 2.984 N/A THR 169.A N ARG 233.A O no hydrogen 2.734 N/A THR 169.A OG1 TRP 185.A O no hydrogen 2.767 N/A TYR 170.A N TRP 185.A O no hydrogen 3.245 N/A TYR 170.A OH SER 5.A OG no hydrogen 2.928 N/A TYR 170.A OH HIS 83.A NE2 no hydrogen 2.625 N/A GLY 172.A N VAL 183.A O no hydrogen 2.735 N/A SER 173.A N SER 5.A OG no hydrogen 2.933 N/A SER 173.A OG LEU 174.A O no hydrogen 2.869 N/A LEU 174.A N ALA 180.A O no hydrogen 2.950 N/A THR 175.A OG1 GLU 82.A OE1 no hydrogen 2.581 N/A THR 175.A OG1 GLU 82.A OE2 no hydrogen 3.509 N/A LEU 179.A N THR 176.A O no hydrogen 2.924 N/A SER 182.A OG SER 111.A O no hydrogen 2.502 N/A VAL 183.A N GLY 172.A O no hydrogen 3.284 N/A THR 184.A N LEU 117.A O no hydrogen 2.833 N/A TRP 185.A N TYR 170.A O no hydrogen 2.941 N/A TRP 185.A NE1 SER 173.A O no hydrogen 2.962 N/A ILE 186.A N VAL 119.A O no hydrogen 2.944 N/A VAL 187.A N TRP 168.A O no hydrogen 2.930 N/A GLN 188.A N GLY 121.A O no hydrogen 2.848 N/A GLN 188.A NE2 ARG 165.A O no hydrogen 2.982 N/A GLN 188.A NE2 ASP 166.A O no hydrogen 3.205 N/A LYS 189.A N ASP 166.A O no hydrogen 2.836 N/A LYS 189.A NZ ASP 166.A OD2 no hydrogen 2.961 N/A VAL 192.A N PHE 123.A O no hydrogen 2.785 N/A VAL 194.A N LYS 125.A O no hydrogen 2.933 N/A SER 195.A N GLN 198.A OE1 no hydrogen 2.930 N/A SER 195.A OG SER 197.A OG no hydrogen 3.095 N/A SER 197.A OG SER 195.A OG no hydrogen 3.095 N/A GLN 198.A N SER 195.A O no hydrogen 3.039 N/A GLN 198.A NE2 HIS 130.A O no hydrogen 2.889 N/A GLN 198.A NE2 GLN 134.A OE1 no hydrogen 3.117 N/A SER 200.A N PRO 196.A O no hydrogen 3.095 N/A MET 201.A N SER 197.A O no hydrogen 2.958 N/A PHE 202.A N GLN 198.A O no hydrogen 3.349 N/A ARG 203.A N LEU 199.A O no hydrogen 3.394 N/A ARG 203.A NE GLY 74.A O no hydrogen 2.791 N/A ARG 203.A NH1 ASP 77.A OD1 no hydrogen 3.532 N/A ARG 203.A NH2 ASP 77.A OD1 no hydrogen 2.751 N/A THR 204.A N MET 201.A O no hydrogen 3.013 N/A THR 204.A OG1 MET 201.A O no hydrogen 2.628 N/A LEU 205.A N PHE 202.A O no hydrogen 3.310 N/A LEU 206.A N ARG 144.A O no hydrogen 2.831 N/A PHE 207.A N ASP 215.A O no hydrogen 2.677 N/A SER 208.A OG GLU 213.A O no hydrogen 3.433 N/A GLY 209.A N GLU 212.A OE1 no hydrogen 2.688 N/A GLU 212.A N GLY 209.A O no hydrogen 3.035 N/A ASP 215.A N SER 208.A OG no hydrogen 3.024 N/A MET 217.A N LEU 205.A O no hydrogen 2.841 N/A ASN 220.A N TRP 73.A O no hydrogen 3.315 N/A ASN 220.A ND2 TYR 40.A O no hydrogen 2.931 N/A ARG 222.A N GLU 82.A OE2 no hydrogen 2.723 N/A ARG 222.A NH1 GLN 4.A OE1 no hydrogen 2.806 N/A ARG 222.A NH1 SER 5.A O no hydrogen 2.870 N/A ARG 222.A NH2 GLN 4.A OE1 no hydrogen 3.040 N/A GLN 225.A N PRO 6.A O no hydrogen 2.783 N/A GLN 225.A NE2 PRO 223.A O no hydrogen 2.964 N/A ARG 230.A N LEU 227.A O no hydrogen 3.306 N/A ARG 230.A NE LEU 227.A O no hydrogen 3.003 N/A ARG 230.A NH1 GLN 4.A O no hydrogen 3.049 N/A ARG 230.A NH1 PRO 171.A O no hydrogen 2.932 N/A ARG 230.A NH2 GLN 4.A O no hydrogen 2.823 N/A ARG 230.A NH2 PRO 226.A O no hydrogen 2.909 N/A ARG 233.A N THR 169.A O no hydrogen 2.968 N/A ARG 233.A NH1 ASP 17.A OD2 no hydrogen 2.873 N/A SER 234.A N VAL 15.A O no hydrogen 2.927 N/A SER 234.A OG PHE 236.A O no hydrogen 2.677 N/A SER 235.A N TYR 167.A O no hydrogen 2.783 N/A SER 235.A OG TYR 167.A O no hydrogen 3.179 N/A