Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3e9q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 5.A OH ASP 224.A OD2 no hydrogen 2.540 N/A LEU 11.A N LYS 8.A O no hydrogen 3.353 N/A LEU 12.A N TYR 36.A O no hydrogen 2.768 N/A ASN 13.A N.A ASP 10.A O no hydrogen 3.152 N/A ASN 13.A N.B ASP 10.A O no hydrogen 3.154 N/A ARG 15.A N.A LEU 12.A O no hydrogen 2.999 N/A ARG 15.A N.B LEU 12.A O no hydrogen 3.010 N/A ARG 15.A NH1.A SER 140.A OG no hydrogen 3.136 N/A ARG 15.A NH1.B ASP 223.A OD1 no hydrogen 2.654 N/A ARG 15.A NH2.A ASP 223.A OD1 no hydrogen 3.514 N/A ARG 15.A NH2.B ASP 223.A OD1 no hydrogen 3.437 N/A ARG 15.A NH2.B ASP 223.A OD2 no hydrogen 3.014 N/A ILE 16.A N ASP 95.A OD2 no hydrogen 2.881 N/A ILE 17.A N THR 39.A O no hydrogen 2.920 N/A LEU 18.A N GLY 96.A O no hydrogen 2.871 N/A VAL 19.A N ILE 41.A O no hydrogen 2.834 N/A THR 20.A N LEU 98.A O no hydrogen 3.021 N/A THR 20.A OG1 LEU 98.A O no hydrogen 3.505 N/A ALA 22.A N LEU 43.A O no hydrogen 3.158 N/A ARG 28.A N.A ASP 24.A O.A no hydrogen 3.007 N/A ARG 28.A N.A ASP 24.A O.B no hydrogen 3.136 N/A ARG 28.A N.B ASP 24.A O.A no hydrogen 3.011 N/A ARG 28.A N.B ASP 24.A O.B no hydrogen 3.140 N/A ARG 28.A NH2.B HIS 56.A ND1 no hydrogen 2.988 N/A GLU 29.A N GLY 25.A O no hydrogen 3.159 N/A ALA 30.A N ILE 26.A O no hydrogen 2.749 N/A ALA 31.A N GLY 27.A O no hydrogen 2.955 N/A THR 32.A OG1 GLU 29.A O no hydrogen 2.867 N/A TYR 33.A N ALA 30.A O no hydrogen 2.767 N/A TYR 33.A OH TYR 218.A O no hydrogen 2.813 N/A ALA 34.A N ALA 31.A O no hydrogen 3.124 N/A ARG 35.A NE GLU 60.A OE2 no hydrogen 2.816 N/A ARG 35.A NH2 GLU 60.A OE1 no hydrogen 3.116 N/A TYR 36.A N THR 32.A O no hydrogen 3.044 N/A GLY 37.A N ALA 34.A O no hydrogen 2.957 N/A ALA 38.A N TYR 33.A O no hydrogen 2.911 N/A THR 39.A N ARG 15.A O.A no hydrogen 2.791 N/A THR 39.A N ARG 15.A O.B no hydrogen 2.878 N/A ILE 41.A N ILE 17.A O no hydrogen 2.914 N/A LEU 42.A N GLN 66.A O no hydrogen 3.038 N/A LEU 43.A N VAL 19.A O no hydrogen 2.927 N/A GLY 44.A N PHE 68.A O no hydrogen 3.310 N/A LYS 49.A N ASN 46.A OD1 no hydrogen 3.051 N/A LYS 49.A NZ ASP 24.A OD1.B no hydrogen 2.576 N/A LYS 49.A NZ ASP 24.A OD2.B no hydrogen 2.665 N/A LEU 50.A N ASN 46.A O no hydrogen 3.006 N/A ARG 51.A N GLU 47.A O no hydrogen 2.915 N/A GLN 52.A N GLU 48.A O.A no hydrogen 3.022 N/A GLN 52.A N GLU 48.A O.B no hydrogen 2.979 N/A VAL 53.A N LYS 49.A O no hydrogen 3.011 N/A ALA 54.A N LEU 50.A O no hydrogen 2.887 N/A SER 55.A N ARG 51.A O no hydrogen 2.791 N/A HIS 56.A N GLN 52.A O no hydrogen 2.991 N/A ILE 57.A N VAL 53.A O no hydrogen 2.933 N/A ASN 58.A N ALA 54.A O no hydrogen 2.814 N/A GLU 59.A N SER 55.A O no hydrogen 2.859 N/A GLU 60.A N HIS 56.A O no hydrogen 2.986 N/A THR 61.A N ILE 57.A O no hydrogen 2.785 N/A THR 61.A OG1 ILE 57.A O no hydrogen 2.788 N/A GLY 62.A N ASN 58.A O no hydrogen 2.784 N/A ARG 63.A NH1.A GLY 37.A O no hydrogen 3.424 N/A ARG 63.A NH2.A ALA 34.A O no hydrogen 2.448 N/A PHE 68.A N LEU 42.A O no hydrogen 2.927 N/A LEU 70.A N GLY 44.A O no hydrogen 2.959 N/A LEU 73.A N ASP 71.A OD1 no hydrogen 3.059 N/A THR 74.A N ASP 71.A O no hydrogen 3.251 N/A CYS 75.A N ASP 71.A O no hydrogen 2.939 N/A CYS 75.A SG LEU 72.A O no hydrogen 3.905 N/A ASN 79.A N THR 76.A OG1 no hydrogen 3.042 N/A CYS 80.A N THR 76.A O no hydrogen 3.103 N/A CYS 80.A SG THR 76.A O no hydrogen 3.678 N/A GLN 81.A N SER 77.A O no hydrogen 2.888 N/A GLN 82.A N GLU 78.A O no hydrogen 2.773 N/A LEU 83.A N.A ASN 79.A O no hydrogen 2.933 N/A LEU 83.A N.B ASN 79.A O no hydrogen 2.935 N/A ALA 84.A N CYS 80.A O no hydrogen 3.012 N/A GLN 85.A N GLN 81.A O no hydrogen 2.893 N/A ARG 86.A N GLN 82.A O no hydrogen 2.869 N/A ILE 87.A N LEU 83.A O.A no hydrogen 2.913 N/A ILE 87.A N LEU 83.A O.B no hydrogen 2.940 N/A VAL 88.A N ALA 84.A O no hydrogen 2.826 N/A VAL 89.A N GLN 85.A O no hydrogen 3.214 N/A VAL 89.A N ARG 86.A O no hydrogen 3.378 N/A ASN 90.A N ILE 87.A O no hydrogen 2.720 N/A ASN 90.A ND2 ARG 86.A O no hydrogen 3.519 N/A TYR 91.A N ILE 87.A O no hydrogen 2.989 N/A TYR 91.A OH GLN 66.A OE1 no hydrogen 2.471 N/A ARG 93.A NE ASP 95.A OD1 no hydrogen 3.141 N/A ARG 93.A NE ASP 95.A OD2 no hydrogen 2.840 N/A ARG 93.A NH2 ASP 14.A O no hydrogen 2.875 N/A ARG 93.A NH2 ASP 95.A OD2 no hydrogen 3.380 N/A LEU 94.A N LEU 136.A O no hydrogen 2.926 N/A ASP 95.A N ILE 16.A O no hydrogen 2.691 N/A GLY 96.A N ILE 16.A O no hydrogen 3.059 N/A VAL 97.A N SER 144.A O no hydrogen 2.996 N/A LEU 98.A N LEU 18.A O no hydrogen 2.943 N/A HIS 99.A N VAL 146.A O no hydrogen 2.842 N/A HIS 99.A NE2 THR 130.A OG1 no hydrogen 2.760 N/A ASN 100.A N.A THR 20.A OG1 no hydrogen 2.847 N/A ASN 100.A N.B THR 20.A OG1 no hydrogen 2.892 N/A ASN 100.A ND2.A THR 20.A O no hydrogen 3.312 N/A ASN 100.A ND2.A GLY 21.A O no hydrogen 3.174 N/A ASN 100.A ND2.B THR 20.A O no hydrogen 3.458 N/A ALA 101.A N THR 20.A OG1 no hydrogen 2.995 N/A LEU 103.A N ASN 123.A OD1 no hydrogen 2.833 N/A CYS 108.A N ASN 159.A O no hydrogen 3.040 N/A CYS 108.A SG PRO 109.A O no hydrogen 3.715 N/A GLU 111.A N PRO 109.A O no hydrogen 2.816 N/A GLN 112.A NE2 ASP 106.A O no hydrogen 3.014 N/A GLN 112.A NE2 CYS 108.A O no hydrogen 2.943 N/A ASN 113.A N ASP 106.A OD2 no hydrogen 2.740 N/A VAL 116.A N ASN 113.A OD1 no hydrogen 2.982 N/A TRP 117.A N ASN 113.A O no hydrogen 2.849 N/A GLN 118.A N.A PRO 114.A O no hydrogen 3.100 N/A GLN 118.A N.B PRO 114.A O no hydrogen 3.112 N/A GLN 118.A NE2.B PRO 114.A O no hydrogen 3.166 N/A ASP 119.A N GLN 115.A O no hydrogen 2.993 N/A VAL 120.A N VAL 116.A O no hydrogen 2.870 N/A ILE 122.A N ASP 119.A O no hydrogen 3.003 N/A ASN 123.A N VAL 120.A O no hydrogen 2.934 N/A ASN 123.A ND2 LEU 103.A O no hydrogen 3.011 N/A ASN 123.A ND2 SER 166.A OG no hydrogen 2.971 N/A ALA 126.A N GLN 121.A O no hydrogen 2.732 N/A THR 127.A OG1 ILE 122.A O no hydrogen 2.845 N/A THR 127.A OG1 ASN 123.A O no hydrogen 3.334 N/A PHE 128.A N VAL 124.A O no hydrogen 2.876 N/A THR 130.A N THR 127.A O no hydrogen 2.906 N/A THR 130.A OG1 HIS 99.A NE2 no hydrogen 2.760 N/A THR 130.A OG1 THR 127.A O no hydrogen 2.754 N/A GLN 131.A N PHE 128.A O no hydrogen 2.865 N/A LEU 133.A N LEU 129.A O no hydrogen 3.032 N/A LEU 133.A N THR 130.A O no hydrogen 3.093 N/A LEU 134.A N THR 130.A O no hydrogen 2.951 N/A LEU 137.A N LEU 133.A O no hydrogen 3.066 N/A LEU 138.A N LEU 134.A O no hydrogen 2.872 N/A LYS 139.A N LEU 136.A O no hydrogen 3.187 N/A SER 140.A N LEU 137.A O no hydrogen 3.161 N/A SER 140.A OG ASP 95.A OD1 no hydrogen 2.561 N/A SER 140.A OG ASP 141.A OD1.B no hydrogen 3.274 N/A ALA 142.A N SER 140.A OG no hydrogen 3.092 N/A SER 144.A N ASP 95.A O no hydrogen 2.982 N/A SER 144.A OG LEU 221.A O no hydrogen 2.810 N/A LEU 145.A N ARG 184.A O no hydrogen 2.781 N/A VAL 146.A N VAL 97.A O no hydrogen 2.925 N/A PHE 147.A N ASN 186.A O no hydrogen 2.949 N/A THR 148.A OG1 HIS 99.A O no hydrogen 2.695 N/A SER 149.A N ILE 188.A O no hydrogen 2.797 N/A SER 149.A OG SER 150.A O no hydrogen 3.523 N/A SER 149.A OG GLU 171.A OE2 no hydrogen 2.684 N/A SER 150.A N SER 149.A OG no hydrogen 2.606 N/A VAL 152.A N SER 150.A OG no hydrogen 3.171 N/A GLY 153.A N SER 150.A O no hydrogen 2.941 N/A ARG 154.A N SER 151.A O no hydrogen 3.105 N/A ARG 154.A NE GLU 171.A OE2 no hydrogen 2.820 N/A ARG 154.A NH1 THR 231.A OG1 no hydrogen 2.688 N/A ARG 154.A NH1 ASP 233.A OD1 no hydrogen 2.808 N/A ARG 154.A NH2 ASP 233.A OD1 no hydrogen 2.850 N/A GLN 155.A N.A SER 151.A O no hydrogen 3.044 N/A GLN 155.A N.B SER 151.A O no hydrogen 3.070 N/A ARG 157.A NH1 SER 151.A OG no hydrogen 2.948 N/A TRP 160.A N ARG 157.A O no hydrogen 3.270 N/A ALA 162.A N GLN 112.A OE1 no hydrogen 3.324 N/A ALA 164.A N TRP 160.A O no hydrogen 2.949 N/A ALA 165.A N GLY 161.A O no hydrogen 3.003 N/A SER 166.A N ALA 162.A O no hydrogen 2.825 N/A SER 166.A OG ALA 162.A O no hydrogen 3.467 N/A SER 166.A OG TYR 163.A O no hydrogen 2.831 N/A LYS 167.A N TYR 163.A O no hydrogen 2.828 N/A LYS 167.A NZ THR 148.A O no hydrogen 2.774 N/A PHE 168.A N ALA 164.A O no hydrogen 2.872 N/A ALA 169.A N ALA 165.A O no hydrogen 2.998 N/A THR 170.A N SER 166.A O no hydrogen 2.916 N/A THR 170.A OG1 SER 166.A O no hydrogen 2.723 N/A GLU 171.A N LYS 167.A O no hydrogen 3.004 N/A GLY 172.A N PHE 168.A O no hydrogen 2.977 N/A VAL 174.A N GLY 172.A O no hydrogen 2.904 N/A ASP 177.A N GLN 173.A O no hydrogen 3.033 N/A GLU 178.A N VAL 174.A O no hydrogen 2.948 N/A TYR 179.A N.A LEU 175.A O no hydrogen 3.021 N/A TYR 179.A N.B LEU 175.A O no hydrogen 3.028 N/A ARG 182.A N.A TYR 179.A O.A no hydrogen 2.858 N/A ARG 182.A N.A TYR 179.A O.B no hydrogen 2.870 N/A ARG 182.A N.B TYR 179.A O.A no hydrogen 2.833 N/A ARG 182.A N.B TYR 179.A O.B no hydrogen 2.845 N/A ARG 182.A NH1.B GLU 178.A O no hydrogen 3.056 N/A ARG 182.A NH2.A GLU 178.A O no hydrogen 2.831 N/A LEU 183.A N TYR 179.A O.A no hydrogen 2.848 N/A LEU 183.A N TYR 179.A O.B no hydrogen 2.843 N/A ARG 184.A N GLY 143.A O no hydrogen 2.995 N/A ARG 184.A NH1 SER 225.A OG no hydrogen 2.886 N/A VAL 185.A N THR 229.A OG1 no hydrogen 2.851 N/A ASN 186.A N LEU 145.A O no hydrogen 3.025 N/A ASN 186.A ND2 LYS 228.A O no hydrogen 2.954 N/A CYS 187.A SG GLU 171.A OE1 no hydrogen 3.603 N/A ILE 188.A N PHE 147.A O no hydrogen 2.841 N/A ASN 189.A N PHE 232.A O no hydrogen 2.772 N/A ASN 189.A ND2 ASP 233.A OD1 no hydrogen 2.976 N/A GLY 191.A N ASN 189.A OD1 no hydrogen 3.089 N/A ARG 194.A N LYS 210.A O no hydrogen 2.853 N/A ARG 194.A NE PRO 206.A O no hydrogen 2.771 N/A ARG 194.A NH2 LEU 209.A O no hydrogen 2.973 N/A ARG 197.A NE GLU 204.A OE1 no hydrogen 2.884 N/A ARG 197.A NH2 GLU 204.A OE1 no hydrogen 3.531 N/A ARG 197.A NH2 GLU 204.A OE2 no hydrogen 2.756 N/A ARG 197.A NH2 GLY 241.A O no hydrogen 2.877 N/A ALA 198.A N THR 195.A O no hydrogen 3.108 N/A SER 199.A N ALA 196.A O no hydrogen 2.997 N/A SER 199.A OG ALA 196.A O no hydrogen 3.551 N/A ALA 200.A N ARG 197.A O no hydrogen 3.119 N/A PHE 201.A N ARG 197.A O no hydrogen 2.977 N/A GLU 204.A N PHE 201.A O no hydrogen 3.070 N/A GLN 207.A N ASP 205.A OD1 no hydrogen 2.925 N/A LYS 208.A N ASP 205.A O no hydrogen 3.020 N/A LYS 208.A NZ GLN 244.A O no hydrogen 2.460 N/A LEU 209.A N PRO 206.A O no hydrogen 3.071 N/A THR 211.A N ASP 214.A OD2 no hydrogen 3.030 N/A ASP 214.A N THR 211.A OG1 no hydrogen 3.147 N/A ILE 215.A N PRO 212.A O no hydrogen 3.179 N/A TRP 220.A N PRO 216.A O no hydrogen 2.807 N/A LEU 221.A N LEU 217.A O no hydrogen 3.095 N/A SER 225.A N GLY 222.A O no hydrogen 3.409 N/A SER 225.A OG TRP 220.A O no hydrogen 2.768 N/A SER 225.A OG GLY 222.A O no hydrogen 3.276 N/A ARG 226.A N ASP 223.A O no hydrogen 3.254 N/A LYS 228.A N SER 225.A O no hydrogen 2.980 N/A THR 229.A OG1 VAL 185.A O no hydrogen 3.365 N/A GLY 230.A N VAL 185.A O no hydrogen 2.763 N/A THR 231.A OG1 GLU 171.A OE2 no hydrogen 2.850 N/A PHE 232.A N CYS 187.A O no hydrogen 2.899 N/A ALA 234.A N ASN 189.A O no hydrogen 2.924 N/A ARG 238.A N GLN 235.A O no hydrogen 3.168 N/A ARG 238.A NH1 GLY 241.A O no hydrogen 3.063 N/A ARG 238.A NH1 SER 243.A OG no hydrogen 3.123 N/A ARG 238.A NH2 GLY 241.A O no hydrogen 3.000 N/A SER 243.A N GLU 204.A OE2 no hydrogen 2.889 N/A SER 243.A OG GLU 204.A OE2 no hydrogen 2.703 N/A