Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3kqf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 2.A N GLU 34.A OE2 no hydrogen 2.982 N/A ASN 3.A N GLU 34.A OE1 no hydrogen 2.792 N/A SER 5.A N SER 17.A O no hydrogen 2.912 N/A ASP 7.A N LYS 15.A O no hydrogen 2.869 N/A TYR 8.A OH GLU 45.A OE1 no hydrogen 3.131 N/A TYR 8.A OH GLU 45.A OE2 no hydrogen 2.606 N/A ALA 9.A N ASP 7.A OD1 no hydrogen 2.841 N/A VAL 13.A N THR 10.A O no hydrogen 2.982 N/A VAL 14.A N VAL 50.A O no hydrogen 3.077 N/A LYS 15.A N ASP 7.A O no hydrogen 2.855 N/A LYS 15.A NZ GLU 184.A OE2 no hydrogen 2.224 N/A ILE 16.A N ILE 52.A O no hydrogen 2.743 N/A SER 17.A N SER 5.A O no hydrogen 2.871 N/A LEU 18.A N THR 54.A O no hydrogen 2.801 N/A ASN 19.A N ASN 3.A O no hydrogen 2.750 N/A ARG 20.A N ASN 25.A OD1 no hydrogen 2.798 N/A ARG 20.A NH1 SER 26.A O no hydrogen 3.134 N/A ARG 20.A NH1 ASP 66.A OD1 no hydrogen 3.115 N/A GLN 23.A N ARG 20.A O no hydrogen 2.941 N/A ALA 24.A N GLU 21.A O no hydrogen 3.005 N/A ASN 25.A N ARG 20.A O no hydrogen 2.863 N/A ASN 25.A ND2 ALA 56.A O no hydrogen 3.117 N/A ASN 25.A ND2 ALA 60.A O no hydrogen 2.836 N/A SER 26.A N GLN 23.A O no hydrogen 3.203 N/A SER 26.A OG GLN 23.A O no hydrogen 3.377 N/A LEU 27.A N GLY 64.A O no hydrogen 2.738 N/A LEU 29.A N GLU 69.A OE1 no hydrogen 2.946 N/A LEU 31.A N SER 28.A OG no hydrogen 3.227 N/A LEU 32.A N SER 28.A O no hydrogen 2.928 N/A GLU 33.A N LEU 29.A O no hydrogen 2.977 N/A GLU 34.A N ALA 30.A O no hydrogen 3.214 N/A LEU 35.A N LEU 31.A O no hydrogen 2.937 N/A GLN 36.A N LEU 32.A O no hydrogen 2.901 N/A GLN 36.A NE2 THR 86.A OG1 no hydrogen 3.048 N/A ASN 37.A N GLU 33.A O no hydrogen 3.104 N/A ASN 37.A ND2 GLU 33.A OE2 no hydrogen 3.425 N/A ILE 38.A N.A GLU 34.A O no hydrogen 3.070 N/A ILE 38.A N.B GLU 34.A O no hydrogen 3.055 N/A LEU 39.A N LEU 35.A O no hydrogen 2.882 N/A THR 40.A N GLN 36.A O no hydrogen 3.040 N/A THR 40.A OG1 GLN 36.A O no hydrogen 2.948 N/A GLN 41.A N ASN 37.A O no hydrogen 3.246 N/A ILE 42.A N ILE 38.A O.A no hydrogen 2.963 N/A ILE 42.A N ILE 38.A O.B no hydrogen 3.000 N/A ASN 43.A N LEU 39.A O no hydrogen 2.958 N/A ASN 43.A ND2 GLU 44.A OE1.B no hydrogen 3.236 N/A ASN 43.A ND2 GLU 44.A OE2.A no hydrogen 3.408 N/A ASN 43.A ND2 GLU 44.A OE2.B no hydrogen 3.302 N/A GLU 44.A N.A GLN 41.A O no hydrogen 3.036 N/A GLU 44.A N.B GLN 41.A O no hydrogen 3.063 N/A GLU 45.A N ILE 42.A O no hydrogen 2.960 N/A THR 48.A N GLU 45.A O no hydrogen 3.271 N/A THR 48.A OG1 GLU 45.A OE1 no hydrogen 2.575 N/A ARG 49.A N HIS 12.A O no hydrogen 2.683 N/A ARG 49.A NH1 ALA 195.A O no hydrogen 2.804 N/A ARG 49.A NH2 TYR 250.A O no hydrogen 2.987 N/A VAL 50.A N HIS 12.A O no hydrogen 3.144 N/A VAL 51.A N PRO 94.A O no hydrogen 3.020 N/A ILE 52.A N VAL 14.A O no hydrogen 2.789 N/A LEU 53.A N.A ILE 96.A O no hydrogen 2.818 N/A LEU 53.A N.B ILE 96.A O no hydrogen 2.816 N/A THR 54.A N ILE 16.A O no hydrogen 2.918 N/A THR 54.A OG1 ALA 98.A O no hydrogen 2.677 N/A THR 54.A OG1 ASN 100.A OD1 no hydrogen 3.477 N/A GLY 55.A N ASN 100.A OD1 no hydrogen 2.996 N/A ALA 56.A N LEU 18.A O no hydrogen 2.873 N/A PHE 61.A N ILE 102.A O.A no hydrogen 2.836 N/A PHE 61.A N ILE 102.A O.B no hydrogen 2.890 N/A CYS 62.A N ILE 102.A O.A no hydrogen 3.001 N/A CYS 62.A N ILE 102.A O.B no hydrogen 2.974 N/A CYS 62.A SG ASN 25.A O no hydrogen 3.433 N/A ALA 63.A N ALA 24.A O no hydrogen 3.024 N/A ASP 66.A N LEU 27.A O no hydrogen 3.393 N/A GLU 69.A N ASP 66.A OD2 no hydrogen 3.031 N/A ARG 70.A N.A ASP 66.A O no hydrogen 3.056 N/A ARG 70.A N.B ASP 66.A O no hydrogen 3.055 N/A ALA 71.A N LEU 67.A O no hydrogen 3.010 N/A ASN 73.A N GLN 76.A OE1 no hydrogen 3.241 N/A GLN 76.A N ASN 73.A OD1 no hydrogen 2.891 N/A VAL 77.A N ASN 73.A O no hydrogen 2.915 N/A ARG 78.A N GLU 74.A O no hydrogen 3.159 N/A ARG 78.A NH1 GLU 74.A OE1 no hydrogen 3.067 N/A ARG 78.A NH2 GLU 74.A OE1 no hydrogen 2.548 N/A HIS 79.A N GLU 75.A O no hydrogen 3.102 N/A ALA 80.A N GLN 76.A O no hydrogen 2.932 N/A VAL 81.A N VAL 77.A O no hydrogen 2.934 N/A SER 82.A N ARG 78.A O no hydrogen 2.970 N/A ARG 84.A N VAL 81.A O no hydrogen 2.909 N/A ARG 84.A NE GLY 137.A O no hydrogen 3.131 N/A ARG 84.A NH2 GLY 137.A O no hydrogen 3.017 N/A THR 85.A N SER 82.A O no hydrogen 2.910 N/A THR 85.A OG1 SER 82.A O no hydrogen 2.913 N/A GLN 90.A N GLU 87.A O no hydrogen 2.883 N/A GLN 90.A NE2 GLU 89.A OE2.B no hydrogen 3.517 N/A LEU 91.A N VAL 88.A O no hydrogen 3.321 N/A GLN 93.A N GLN 93.A OE1 no hydrogen 2.878 N/A GLN 93.A NE2 ILE 42.A O no hydrogen 3.136 N/A GLN 93.A NE2 THR 48.A O no hydrogen 3.030 N/A VAL 95.A N ASP 115.A OD2 no hydrogen 2.778 N/A ILE 96.A N VAL 51.A O no hydrogen 2.830 N/A ALA 97.A N PHE 116.A O no hydrogen 2.982 N/A ALA 98.A N LEU 53.A O.A no hydrogen 2.840 N/A ALA 98.A N LEU 53.A O.B no hydrogen 2.821 N/A ILE 99.A N ILE 118.A O no hydrogen 2.792 N/A ASN 100.A ND2 ALA 56.A O no hydrogen 3.697 N/A ASN 100.A ND2 GLY 57.A O no hydrogen 2.984 N/A ASN 100.A ND2 ALA 60.A O no hydrogen 3.000 N/A ILE 102.A N.A LYS 59.A O no hydrogen 3.017 N/A ILE 102.A N.B LYS 59.A O no hydrogen 3.003 N/A ALA 103.A N SER 124.A O no hydrogen 2.831 N/A LEU 104.A N CYS 62.A O no hydrogen 3.046 N/A GLY 105.A N GLY 126.A O no hydrogen 2.933 N/A GLY 107.A N LEU 104.A O no hydrogen 2.919 N/A THR 108.A OG1 ALA 103.A O no hydrogen 2.648 N/A THR 108.A OG1 GLY 126.A O no hydrogen 3.325 N/A GLU 109.A N GLY 105.A O no hydrogen 2.920 N/A LEU 110.A N GLY 106.A O no hydrogen 2.861 N/A SER 111.A N GLY 107.A O no hydrogen 3.208 N/A SER 111.A OG THR 108.A O no hydrogen 2.886 N/A LEU 112.A N THR 108.A O no hydrogen 2.962 N/A ALA 113.A N GLU 109.A O no hydrogen 3.110 N/A ALA 113.A N LEU 110.A O no hydrogen 3.189 N/A CYS 114.A N SER 111.A O no hydrogen 3.293 N/A CYS 114.A SG LEU 110.A O no hydrogen 3.542 N/A ARG 117.A N GLU 175.A OE1 no hydrogen 2.767 N/A ARG 117.A NE LEU 173.A O no hydrogen 2.886 N/A ARG 117.A NH1 GLU 175.A OE2 no hydrogen 3.082 N/A ARG 117.A NH2 SER 111.A O no hydrogen 2.939 N/A ARG 117.A NH2 CYS 114.A O no hydrogen 2.814 N/A ILE 118.A N ALA 97.A O no hydrogen 2.786 N/A ALA 119.A N PHE 176.A O no hydrogen 2.887 N/A ALA 120.A N ILE 99.A O no hydrogen 2.828 N/A GLU 121.A N VAL 178.A O no hydrogen 2.825 N/A ALA 123.A N ALA 120.A O no hydrogen 2.958 N/A LEU 125.A N ILE 163.A O no hydrogen 2.879 N/A GLY 126.A N THR 108.A OG1 no hydrogen 3.112 N/A GLU 129.A N GLU 129.A OE1 no hydrogen 2.656 N/A THR 130.A OG1 ILE 157.A O no hydrogen 2.916 N/A THR 130.A OG1 TYR 158.A O no hydrogen 3.406 N/A THR 131.A N THR 128.A O no hydrogen 2.986 N/A THR 131.A OG1 THR 128.A O no hydrogen 2.724 N/A LEU 132.A N GLU 129.A O no hydrogen 2.875 N/A ALA 133.A N THR 130.A O no hydrogen 3.047 N/A ILE 134.A N GLU 129.A O no hydrogen 3.172 N/A ALA 138.A N GLU 109.A OE2 no hydrogen 2.874 N/A GLY 140.A N GLU 109.A OE2 no hydrogen 2.857 N/A GLN 142.A N GLY 139.A O no hydrogen 2.942 N/A GLN 142.A NE2 THR 141.A OG1 no hydrogen 2.902 N/A ARG 143.A N GLY 139.A O no hydrogen 2.695 N/A ARG 143.A NE GLU 89.A OE1.A no hydrogen 2.859 N/A ARG 143.A NE GLU 89.A OE2.A no hydrogen 3.262 N/A ARG 143.A NH2 GLU 89.A OE1.B no hydrogen 2.734 N/A ARG 143.A NH2 GLU 89.A OE2.A no hydrogen 2.899 N/A LEU 144.A N GLY 140.A O no hydrogen 3.351 N/A ARG 146.A NH1 GLN 142.A O no hydrogen 2.972 N/A ARG 146.A NH1 GLN 142.A OE1 no hydrogen 3.038 N/A LEU 147.A N ARG 143.A O no hydrogen 3.112 N/A LEU 147.A N LEU 144.A O no hydrogen 3.094 N/A ILE 148.A N LEU 144.A O no hydrogen 3.011 N/A GLY 149.A N PRO 145.A O no hydrogen 2.879 N/A ARG 152.A NH1 GLU 155.A OE1 no hydrogen 2.741 N/A ALA 153.A N GLY 149.A O no hydrogen 3.162 N/A LYS 154.A N VAL 150.A O no hydrogen 2.922 N/A GLU 155.A N GLY 151.A O no hydrogen 3.146 N/A LEU 156.A N ARG 152.A O no hydrogen 3.080 N/A ILE 157.A N ALA 153.A O no hydrogen 2.949 N/A TYR 158.A N LYS 154.A O no hydrogen 2.806 N/A THR 159.A N GLU 155.A O no hydrogen 3.082 N/A THR 159.A OG1 GLU 155.A O no hydrogen 2.697 N/A THR 159.A OG1 LEU 156.A O no hydrogen 3.431 N/A GLY 160.A N LEU 156.A O no hydrogen 2.829 N/A ARG 161.A N THR 159.A OG1 no hydrogen 3.224 N/A ARG 161.A NE GLU 155.A OE2 no hydrogen 2.767 N/A ARG 161.A NH2 GLU 155.A OE1 no hydrogen 2.704 N/A ARG 161.A NH2 TYR 171.A OH no hydrogen 2.951 N/A ILE 163.A N LEU 125.A O no hydrogen 2.784 N/A SER 164.A N GLU 167.A OE1 no hydrogen 3.035 N/A SER 164.A OG GLN 166.A OE1 no hydrogen 3.567 N/A GLN 166.A NE2 GLU 121.A O no hydrogen 3.278 N/A GLU 167.A N SER 164.A OG no hydrogen 3.055 N/A ALA 168.A N SER 164.A O no hydrogen 2.920 N/A LYS 169.A N ALA 165.A O no hydrogen 2.897 N/A GLU 170.A N GLN 166.A O no hydrogen 3.031 N/A TYR 171.A N GLU 167.A O no hydrogen 2.982 N/A GLY 172.A N LYS 169.A O no hydrogen 3.168 N/A LEU 173.A N ALA 168.A O no hydrogen 2.896 N/A VAL 174.A N ALA 168.A O no hydrogen 3.456 N/A GLU 175.A N ARG 117.A O no hydrogen 2.934 N/A PHE 176.A N ARG 117.A O no hydrogen 3.243 N/A VAL 178.A N ALA 119.A O no hydrogen 3.014 N/A LEU 182.A N PRO 179.A O no hydrogen 2.858 N/A LEU 183.A N VAL 180.A O no hydrogen 3.163 N/A LYS 186.A N LEU 182.A O no hydrogen 3.076 N/A ALA 187.A N LEU 183.A O no hydrogen 3.040 N/A ILE 188.A N GLU 184.A O no hydrogen 3.024 N/A GLU 189.A N GLU 185.A O no hydrogen 2.866 N/A ILE 190.A N LYS 186.A O no hydrogen 3.106 N/A ALA 191.A N ALA 187.A O no hydrogen 2.928 N/A GLU 192.A N ILE 188.A O no hydrogen 2.772 N/A LYS 193.A N.A GLU 189.A O no hydrogen 3.071 N/A LYS 193.A N.B GLU 189.A O no hydrogen 3.084 N/A ILE 194.A N ILE 190.A O no hydrogen 3.077 N/A ALA 195.A N ALA 191.A O no hydrogen 2.845 N/A SER 196.A N GLU 192.A O no hydrogen 3.040 N/A SER 196.A N LYS 193.A O.A no hydrogen 3.265 N/A SER 196.A N LYS 193.A O.B no hydrogen 3.022 N/A SER 196.A OG LYS 193.A O.A no hydrogen 2.723 N/A SER 196.A OG LYS 193.A O.B no hydrogen 2.653 N/A ASN 197.A N ILE 194.A O no hydrogen 3.090 N/A VAL 202.A N GLY 198.A O no hydrogen 2.864 N/A ARG 203.A N PRO 199.A O no hydrogen 3.055 N/A ARG 203.A NH2 GLU 45.A O no hydrogen 3.188 N/A ARG 203.A NH2 THR 48.A O no hydrogen 3.041 N/A LEU 204.A N ILE 200.A O no hydrogen 2.888 N/A ALA 205.A N ALA 201.A O no hydrogen 2.829 N/A LYS 206.A N VAL 202.A O no hydrogen 2.946 N/A LYS 206.A NZ GLU 89.A O.A no hydrogen 3.258 N/A LYS 206.A NZ GLU 89.A O.B no hydrogen 3.195 N/A LYS 206.A NZ LEU 91.A O no hydrogen 2.813 N/A LYS 206.A NZ GLN 93.A O no hydrogen 2.792 N/A LYS 206.A NZ ASP 115.A OD2 no hydrogen 3.005 N/A GLU 207.A N ARG 203.A O no hydrogen 3.078 N/A ALA 208.A N LEU 204.A O no hydrogen 2.814 N/A ILE 209.A N ALA 205.A O no hydrogen 2.911 N/A SER 210.A N LYS 206.A O no hydrogen 2.970 N/A SER 210.A OG LYS 206.A O no hydrogen 2.766 N/A ASN 211.A N GLU 207.A O no hydrogen 3.094 N/A ASN 211.A ND2 GLU 207.A O no hydrogen 3.042 N/A GLY 212.A N ALA 208.A O no hydrogen 2.810 N/A ILE 213.A N ILE 209.A O no hydrogen 3.073 N/A GLN 214.A N ASN 211.A O no hydrogen 3.142 N/A GLN 214.A NE2 SER 210.A O no hydrogen 2.996 N/A VAL 215.A N GLY 212.A O no hydrogen 3.334 N/A THR 219.A N ASP 216.A OD2 no hydrogen 2.889 N/A THR 219.A OG1 ASP 216.A OD1 no hydrogen 2.588 N/A THR 219.A OG1 ASP 216.A OD2 no hydrogen 3.102 N/A GLY 220.A N ASP 216.A O no hydrogen 2.934 N/A LEU 221.A N LEU 217.A O no hydrogen 2.868 N/A GLN 222.A N HIS 218.A O no hydrogen 3.316 N/A GLN 222.A NE2 HIS 218.A O no hydrogen 2.943 N/A LYS 224.A N LEU 221.A O no hydrogen 2.985 N/A LYS 224.A NZ GLN 222.A OE1 no hydrogen 2.849 N/A GLN 225.A N GLN 222.A O no hydrogen 3.181 N/A TYR 227.A N GLU 223.A O no hydrogen 2.807 N/A GLU 228.A N LYS 224.A O no hydrogen 3.345 N/A GLU 228.A N GLN 225.A O no hydrogen 3.043 N/A GLY 229.A N ALA 226.A O no hydrogen 2.876 N/A VAL 230.A N TYR 227.A O no hydrogen 3.032 N/A ILE 231.A N TYR 227.A O no hydrogen 3.248 N/A THR 233.A N VAL 230.A O no hydrogen 3.197 N/A THR 233.A OG1 VAL 230.A O no hydrogen 2.698 N/A LYS 234.A N GLU 253.A O.A no hydrogen 2.836 N/A LYS 234.A N GLU 253.A O.B no hydrogen 2.979 N/A ASP 235.A N GLU 253.A OXT.A no hydrogen 2.808 N/A ASP 235.A N GLU 253.A OXT.B no hydrogen 2.670 N/A ARG 236.A N THR 233.A OG1 no hydrogen 3.217 N/A GLU 238.A N LYS 234.A O no hydrogen 2.982 N/A GLY 239.A N ASP 235.A O no hydrogen 2.904 N/A LEU 240.A N ARG 236.A O no hydrogen 3.096 N/A GLN 241.A N LEU 237.A O no hydrogen 2.957 N/A ALA 242.A N GLU 238.A O no hydrogen 2.830 N/A PHE 243.A N GLY 239.A O no hydrogen 3.009 N/A LYS 244.A N LEU 240.A O no hydrogen 2.980 N/A GLU 245.A N GLN 241.A O no hydrogen 2.820 N/A LYS 246.A N PHE 243.A O no hydrogen 3.236 N/A ARG 247.A N ALA 242.A O no hydrogen 3.041 N/A ARG 247.A NE GLU 245.A OE1 no hydrogen 2.712 N/A ARG 247.A NH1 GLU 238.A OE2 no hydrogen 2.777 N/A ARG 247.A NH1 THR 248.A O no hydrogen 3.226 N/A ARG 247.A NH2 GLU 238.A OE1 no hydrogen 3.080 N/A ARG 247.A NH2 GLU 238.A OE2 no hydrogen 3.490 N/A LYS 251.A N ASP 235.A OD1 no hydrogen 2.841 N/A GLY 252.A N ASP 235.A OD2 no hydrogen 2.801 N/A GLU 253.A N.A ASP 235.A OD2 no hydrogen 3.424 N/A GLU 253.A N.B ASP 235.A OD2 no hydrogen 3.413 N/A