Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2qru_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A NE2 GLU 23.A OE2 no hydrogen 3.023 N/A ASN 5.A N ILE 17.A O no hydrogen 3.063 N/A ASN 5.A ND2 LEU 3.A O no hydrogen 2.856 N/A GLN 7.A N VAL 15.A O no hydrogen 2.946 N/A LEU 9.A N ALA 13.A O no hydrogen 2.750 N/A ASN 11.A ND2 GLU 80.A OE1 no hydrogen 3.155 N/A ASN 11.A ND2 THR 81.A OG1 no hydrogen 2.960 N/A GLY 12.A N LEU 9.A O no hydrogen 2.908 N/A ALA 13.A N ASN 11.A OD1 no hydrogen 3.100 N/A THR 14.A N ASP 62.A OD2 no hydrogen 2.896 N/A THR 14.A OG1 ASP 62.A OD1 no hydrogen 3.444 N/A THR 14.A OG1 ASP 62.A OD2 no hydrogen 2.665 N/A VAL 15.A N GLN 7.A O no hydrogen 2.906 N/A THR 16.A N ALA 60.A O no hydrogen 2.889 N/A THR 16.A OG1 ASN 6.A OD1 no hydrogen 2.721 N/A ILE 17.A N ASN 5.A O no hydrogen 2.742 N/A TYR 18.A N VAL 58.A O no hydrogen 2.879 N/A THR 20.A N THR 57.A OG1 no hydrogen 3.304 N/A THR 20.A OG1 THR 22.A O no hydrogen 3.055 N/A THR 20.A OG1 THR 25.A OG1 no hydrogen 3.043 N/A THR 25.A OG1 THR 20.A OG1 no hydrogen 3.043 N/A THR 25.A OG1 ASN 26.A O no hydrogen 2.984 N/A THR 25.A OG1 GLY 55.A O no hydrogen 3.473 N/A THR 25.A OG1 THR 57.A OG1 no hydrogen 2.975 N/A ASN 26.A N GLY 55.A O no hydrogen 3.406 N/A TYR 27.A N SER 94.A O.A no hydrogen 3.225 N/A TYR 27.A N SER 94.A O.B no hydrogen 3.154 N/A VAL 28.A N THR 57.A O no hydrogen 2.904 N/A VAL 29.A N GLY 96.A O no hydrogen 2.933 N/A TYR 30.A N LEU 59.A O no hydrogen 2.811 N/A TYR 30.A OH ASP 42.A OD1 no hydrogen 2.629 N/A LEU 31.A N CYS 98.A O no hydrogen 2.828 N/A HIS 32.A ND1 GLY 33.A O no hydrogen 2.636 N/A GLY 33.A N ASP 42.A OD2 no hydrogen 3.083 N/A TYR 37.A N GLY 34.A O no hydrogen 2.915 N/A GLY 38.A N ASP 163.A OD2 no hydrogen 3.164 N/A THR 39.A OG1 ASP 162.A OD1 no hydrogen 2.681 N/A LYS 40.A NZ ASP 62.A OD1 no hydrogen 2.628 N/A SER 41.A N THR 39.A OG1 no hydrogen 3.017 N/A SER 41.A OG THR 39.A OG1 no hydrogen 3.222 N/A ASP 42.A N THR 39.A O no hydrogen 2.924 N/A GLU 46.A N GLU 46.A OE1 no hydrogen 2.693 N/A LYS 48.A N PRO 44.A O no hydrogen 2.898 N/A LYS 48.A NZ GLU 45.A OE1 no hydrogen 3.445 N/A LYS 48.A NZ GLU 45.A OE2 no hydrogen 3.060 N/A LYS 48.A NZ GLU 49.A OE2.A no hydrogen 2.646 N/A GLU 49.A N.A GLU 45.A O no hydrogen 2.888 N/A GLU 49.A N.B GLU 45.A O no hydrogen 2.833 N/A LEU 50.A N.A GLU 46.A O no hydrogen 3.014 N/A LEU 50.A N.B GLU 46.A O no hydrogen 3.065 N/A PHE 51.A N LEU 47.A O no hydrogen 3.214 N/A THR 52.A N LYS 48.A O no hydrogen 2.937 N/A THR 52.A OG1 LYS 48.A O no hydrogen 3.456 N/A THR 52.A OG1 GLU 49.A O.B no hydrogen 3.393 N/A THR 52.A OG1 GLU 49.A OE2.A no hydrogen 3.461 N/A SER 53.A N GLU 49.A O.A no hydrogen 2.830 N/A SER 53.A N GLU 49.A O.B no hydrogen 2.783 N/A SER 53.A OG GLU 49.A O.A no hydrogen 2.763 N/A SER 53.A OG GLU 49.A O.B no hydrogen 2.894 N/A SER 53.A OG LEU 50.A O.A no hydrogen 3.535 N/A SER 53.A OG LEU 50.A O.B no hydrogen 3.043 N/A ASN 54.A N PHE 51.A O no hydrogen 3.078 N/A ASN 54.A ND2 LEU 50.A O.A no hydrogen 2.754 N/A ASN 54.A ND2 LEU 50.A O.B no hydrogen 2.907 N/A ASN 54.A ND2 ASP 264.A OD1 no hydrogen 2.818 N/A GLY 55.A N THR 52.A O no hydrogen 3.032 N/A TYR 56.A N PHE 51.A O no hydrogen 2.999 N/A THR 57.A N ASN 26.A O no hydrogen 2.881 N/A THR 57.A OG1 THR 25.A OG1 no hydrogen 2.975 N/A VAL 58.A N TYR 18.A O no hydrogen 3.085 N/A LEU 59.A N VAL 28.A O no hydrogen 2.800 N/A ALA 60.A N THR 16.A O no hydrogen 2.848 N/A LEU 61.A N TYR 30.A O no hydrogen 3.016 N/A ASP 62.A N THR 14.A O no hydrogen 2.996 N/A TYR 63.A OH HIS 32.A O no hydrogen 2.678 N/A LEU 65.A N VAL 160.A O no hydrogen 3.213 N/A ASN 68.A ND2 ASP 155.A O no hydrogen 3.076 N/A ASN 68.A ND2 LYS 158.A O no hydrogen 2.658 N/A THR 69.A N LEU 65.A O no hydrogen 3.020 N/A LYS 70.A NZ PRO 67.A O no hydrogen 2.776 N/A LYS 70.A NZ PHE 184.A O no hydrogen 3.038 N/A ILE 71.A N TYR 185.A O no hydrogen 2.918 N/A HIS 73.A N ASP 72.A OD1 no hydrogen 2.852 N/A ILE 74.A N LYS 70.A O no hydrogen 2.873 N/A LEU 75.A N ILE 71.A O no hydrogen 2.876 N/A ARG 76.A N ASP 72.A O no hydrogen 3.137 N/A THR 77.A N HIS 73.A O no hydrogen 2.890 N/A THR 77.A OG1 HIS 73.A O no hydrogen 3.103 N/A LEU 78.A N ILE 74.A O no hydrogen 2.901 N/A THR 79.A N LEU 75.A O no hydrogen 3.136 N/A THR 79.A OG1 LEU 75.A O no hydrogen 3.350 N/A GLU 80.A N ARG 76.A O no hydrogen 3.053 N/A THR 81.A N THR 77.A O no hydrogen 2.762 N/A THR 81.A OG1 THR 77.A O no hydrogen 2.697 N/A PHE 82.A N LEU 78.A O no hydrogen 2.805 N/A GLN 83.A N THR 79.A O no hydrogen 2.933 N/A LEU 84.A N GLU 80.A O no hydrogen 3.026 N/A LEU 85.A N THR 81.A O no hydrogen 2.840 N/A ASN 86.A N PHE 82.A O no hydrogen 2.765 N/A ASN 86.A ND2 ASN 92.A OD1 no hydrogen 3.122 N/A GLU 87.A N GLN 83.A O no hydrogen 2.908 N/A GLU 88.A N LEU 84.A O no hydrogen 2.985 N/A ILE 89.A N LEU 85.A O no hydrogen 2.891 N/A ILE 90.A N LEU 85.A O no hydrogen 3.128 N/A GLN 91.A N ASN 86.A O no hydrogen 2.703 N/A GLN 91.A NE2 GLU 88.A O no hydrogen 3.260 N/A ASN 92.A N ASN 86.A OD1 no hydrogen 3.011 N/A GLN 93.A N ILE 90.A O no hydrogen 2.978 N/A GLN 93.A NE2 THR 25.A O no hydrogen 3.439 N/A GLY 96.A N TYR 27.A O no hydrogen 2.822 N/A LEU 97.A N PHE 122.A O no hydrogen 2.983 N/A CYS 98.A N VAL 29.A O no hydrogen 2.850 N/A CYS 98.A SG VAL 124.A O no hydrogen 3.948 N/A GLY 99.A N VAL 124.A O no hydrogen 2.947 N/A ARG 100.A N LEU 31.A O no hydrogen 2.992 N/A ARG 100.A NE ASP 246.A OD1 no hydrogen 2.783 N/A ARG 100.A NH1 ASP 42.A O no hydrogen 2.838 N/A ARG 100.A NH2 ASP 246.A OD1 no hydrogen 3.267 N/A ARG 100.A NH2 ASP 246.A OD2 no hydrogen 2.901 N/A SER 101.A N PHE 126.A O no hydrogen 2.786 N/A SER 101.A OG HIS 245.A NE2 no hydrogen 2.802 N/A GLY 103.A N ARG 100.A O no hydrogen 2.793 N/A GLY 104.A N SER 101.A O no hydrogen 2.725 N/A TYR 105.A N SER 101.A O no hydrogen 3.363 N/A TYR 105.A OH TYR 196.A O no hydrogen 2.622 N/A LEU 106.A N ALA 102.A O no hydrogen 2.939 N/A GLN 108.A N TYR 105.A O no hydrogen 2.906 N/A LEU 109.A N LEU 106.A O no hydrogen 2.778 N/A LYS 111.A N LEU 107.A O no hydrogen 3.216 N/A GLN 112.A N GLN 108.A O no hydrogen 3.255 N/A LEU 113.A N LEU 109.A O no hydrogen 2.736 N/A GLN 114.A N THR 110.A O no hydrogen 3.010 N/A GLN 114.A NE2 THR 205.A OG1 no hydrogen 2.939 N/A THR 115.A N GLN 112.A O no hydrogen 3.091 N/A THR 115.A OG1 GLN 112.A O no hydrogen 2.613 N/A LEU 116.A N LEU 113.A O no hydrogen 2.944 N/A ASN 117.A N GLN 114.A O no hydrogen 3.359 N/A LEU 118.A N LEU 113.A O no hydrogen 2.991 N/A GLN 121.A N PHE 95.A O no hydrogen 2.722 N/A LEU 123.A N PRO 208.A O no hydrogen 2.818 N/A VAL 124.A N LEU 97.A O no hydrogen 2.843 N/A ASN 125.A N PHE 210.A O no hydrogen 2.764 N/A ASN 125.A ND2 SER 211.A OG no hydrogen 2.924 N/A ASN 125.A ND2 SER 225.A OG no hydrogen 2.946 N/A PHE 126.A N GLY 99.A O no hydrogen 2.968 N/A TYR 127.A N THR 212.A O no hydrogen 2.785 N/A TYR 127.A OH ASP 246.A OD1 no hydrogen 2.607 N/A GLY 128.A N ASN 125.A OD1 no hydrogen 2.859 N/A GLU 133.A N ASP 131.A OD1 no hydrogen 2.917 N/A ILE 135.A N LEU 132.A O no hydrogen 3.120 N/A LYS 136.A N GLU 133.A O no hydrogen 3.013 N/A LYS 136.A NZ GLU 133.A OE1 no hydrogen 2.814 N/A LYS 136.A NZ GLY 191.A O no hydrogen 2.762 N/A GLU 137.A N.A PHE 134.A O no hydrogen 3.171 N/A GLU 137.A N.B PHE 134.A O no hydrogen 3.170 N/A ARG 139.A NH1 GLU 219.A O.A no hydrogen 2.806 N/A ARG 139.A NH1 GLU 219.A O.B no hydrogen 2.946 N/A GLN 144.A NE2.B ALA 145.A O no hydrogen 3.346 N/A ILE 146.A N GLN 177.A OE1 no hydrogen 2.918 N/A SER 147.A N GLU 150.A OE2 no hydrogen 2.793 N/A SER 147.A OG GLU 150.A OE2 no hydrogen 2.782 N/A ILE 151.A N ALA 148.A O no hydrogen 3.186 N/A ALA 152.A N LYS 149.A O no hydrogen 3.276 N/A ILE 154.A N ILE 151.A O no hydrogen 3.030 N/A THR 157.A N.A ASP 155.A OD1 no hydrogen 3.060 N/A THR 157.A N.B ASP 155.A OD1 no hydrogen 3.060 N/A THR 157.A N.B ASP 155.A OD2 no hydrogen 3.320 N/A THR 157.A OG1.A ASP 155.A OD1 no hydrogen 3.374 N/A THR 157.A OG1.B ASP 155.A OD1 no hydrogen 2.560 N/A LYS 158.A N ASP 155.A OD2 no hydrogen 2.963 N/A ASP 163.A N GLY 38.A O no hydrogen 3.004 N/A LEU 166.A N ASP 163.A O no hydrogen 3.098 N/A SER 167.A N ASP 163.A OD1 no hydrogen 3.003 N/A SER 167.A OG ASP 163.A OD1 no hydrogen 2.825 N/A ARG 168.A N ASP 163.A OD2 no hydrogen 3.100 N/A ARG 168.A NE ILE 36.A O no hydrogen 2.732 N/A ARG 168.A NH1 ASP 155.A O no hydrogen 2.875 N/A ARG 168.A NH2 ALA 66.A O no hydrogen 2.870 N/A ARG 168.A NH2 ASN 68.A OD1 no hydrogen 2.782 N/A TYR 169.A N LEU 166.A O no hydrogen 3.189 N/A LEU 171.A N ARG 168.A O no hydrogen 3.008 N/A TYR 172.A N ARG 168.A O no hydrogen 3.282 N/A TYR 172.A OH GLU 219.A OE2.B no hydrogen 2.499 N/A HIS 173.A N TYR 169.A O no hydrogen 3.241 N/A TYR 174.A N LEU 170.A O no hydrogen 2.778 N/A SER 175.A N LEU 171.A O no hydrogen 2.918 N/A SER 175.A OG LEU 171.A O no hydrogen 3.546 N/A SER 175.A OG TYR 172.A O no hydrogen 2.823 N/A ILE 176.A N TYR 172.A O no hydrogen 3.114 N/A GLN 177.A N HIS 173.A O no hydrogen 2.967 N/A GLN 177.A NE2 LEU 142.A O no hydrogen 3.131 N/A GLN 177.A NE2 GLN 144.A O.A no hydrogen 3.066 N/A GLN 177.A NE2 GLN 144.A O.B no hydrogen 3.124 N/A GLN 178.A N TYR 174.A O no hydrogen 2.867 N/A ALA 179.A N ILE 176.A O no hydrogen 3.149 N/A LEU 180.A N SER 175.A O no hydrogen 2.709 N/A PHE 184.A N LEU 180.A O no hydrogen 2.743 N/A TYR 185.A N LEU 181.A O no hydrogen 2.876 N/A TYR 185.A OH GLY 35.A O no hydrogen 2.500 N/A GLY 186.A N HIS 183.A O no hydrogen 3.090 N/A LEU 187.A N PRO 182.A O no hydrogen 3.043 N/A GLY 191.A N PRO 188.A O no hydrogen 3.122 N/A ASP 192.A N ASN 190.A OD1 no hydrogen 2.951 N/A TRP 193.A NE1 PRO 188.A O no hydrogen 2.914 N/A SER 194.A N ASP 192.A OD1 no hydrogen 3.087 N/A SER 194.A OG ASP 192.A OD1 no hydrogen 2.696 N/A TYR 196.A N TRP 193.A O no hydrogen 2.886 N/A ALA 197.A N SER 194.A O no hydrogen 3.112 N/A LEU 198.A N THR 130.A O no hydrogen 2.873 N/A SER 199.A OG THR 202.A OG1 no hydrogen 3.105 N/A THR 202.A N SER 199.A OG no hydrogen 2.973 N/A THR 202.A OG1 SER 199.A OG no hydrogen 3.105 N/A LEU 203.A N SER 199.A O no hydrogen 2.974 N/A LYS 204.A N ASP 200.A O no hydrogen 2.849 N/A THR 205.A N THR 202.A O no hydrogen 2.985 N/A THR 205.A OG1 THR 202.A O no hydrogen 2.690 N/A PHE 206.A N LEU 203.A O no hydrogen 2.984 N/A CYS 209.A N SER 235.A OG no hydrogen 2.781 N/A CYS 209.A SG LEU 123.A O no hydrogen 3.742 N/A PHE 210.A N LEU 123.A O no hydrogen 2.901 N/A SER 211.A N THR 236.A O no hydrogen 2.816 N/A SER 211.A OG SER 225.A O no hydrogen 2.725 N/A THR 212.A N ASN 125.A O no hydrogen 2.984 N/A THR 212.A OG1 LYS 238.A O no hydrogen 2.804 N/A SER 214.A OG LEU 243.A O no hydrogen 2.534 N/A SER 215.A N VAL 240.A O no hydrogen 2.931 N/A SER 216.A N SER 214.A OG no hydrogen 3.135 N/A ASP 217.A N SER 214.A O no hydrogen 2.984 N/A GLU 219.A N.A ASP 217.A OD1 no hydrogen 2.832 N/A GLU 219.A N.B ASP 217.A OD1 no hydrogen 2.868 N/A VAL 220.A N ASP 217.A OD1 no hydrogen 2.964 N/A ARG 223.A NH2 TYR 224.A OH no hydrogen 2.952 N/A TYR 224.A N PRO 221.A O no hydrogen 3.056 N/A TYR 224.A OH ASP 131.A OD1 no hydrogen 2.531 N/A LYS 226.A N PHE 222.A O no hydrogen 3.076 N/A LYS 227.A N ARG 223.A O no hydrogen 2.947 N/A ILE 228.A N TYR 224.A O no hydrogen 2.869 N/A GLY 229.A N SER 225.A O no hydrogen 2.971 N/A ARG 230.A N LYS 227.A O no hydrogen 3.218 N/A THR 231.A N LYS 227.A O no hydrogen 2.713 N/A THR 231.A OG1 LYS 227.A O no hydrogen 3.250 N/A SER 235.A OG ILE 232.A O no hydrogen 3.174 N/A SER 235.A OG PRO 233.A O no hydrogen 3.021 N/A THR 236.A N CYS 209.A O no hydrogen 2.888 N/A LYS 238.A N SER 211.A O no hydrogen 2.866 N/A VAL 240.A N ALA 213.A O no hydrogen 3.055 N/A LEU 243.A N SER 214.A OG no hydrogen 3.246 N/A HIS 245.A ND1 ASP 217.A OD2 no hydrogen 2.671 N/A HIS 245.A NE2 SER 101.A OG no hydrogen 2.802 N/A ASP 246.A N GLU 244.A OE2 no hydrogen 2.741 N/A PHE 247.A N HIS 245.A O no hydrogen 2.935 N/A LEU 248.A N TYR 127.A OH no hydrogen 3.011 N/A LYS 249.A N.A ASP 246.A O no hydrogen 3.028 N/A LYS 249.A N.B ASP 246.A O no hydrogen 3.019 N/A LYS 249.A NZ.A GLU 244.A OE1 no hydrogen 3.101 N/A LYS 249.A NZ.B GLU 244.A OE1 no hydrogen 2.649 N/A LYS 249.A NZ.B GLN 250.A OE1 no hydrogen 2.744 N/A GLN 250.A N PHE 247.A O no hydrogen 2.938 N/A LYS 252.A NZ GLU 46.A OE2 no hydrogen 2.862 N/A ASP 253.A N GLN 250.A O no hydrogen 3.073 N/A SER 255.A N ASP 253.A OD2 no hydrogen 3.028 N/A ILE 257.A N ASP 253.A O no hydrogen 2.864 N/A THR 258.A N PRO 254.A O no hydrogen 2.985 N/A THR 258.A OG1 PRO 254.A O no hydrogen 3.206 N/A LEU 259.A N SER 255.A O no hydrogen 3.012 N/A PHE 260.A N VAL 256.A O no hydrogen 2.828 N/A GLU 261.A N ILE 257.A O no hydrogen 3.112 N/A GLN 262.A N THR 258.A O no hydrogen 3.065 N/A LEU 263.A N LEU 259.A O no hydrogen 2.867 N/A ASP 264.A N PHE 260.A O no hydrogen 2.749 N/A SER 265.A N.A GLU 261.A O no hydrogen 2.953 N/A SER 265.A N.B GLU 261.A O no hydrogen 2.940 N/A SER 265.A OG.B GLU 261.A O no hydrogen 3.173 N/A TRP 266.A N GLN 262.A O no hydrogen 2.925 N/A LEU 267.A N.A LEU 263.A O no hydrogen 2.786 N/A LEU 267.A N.B LEU 263.A O no hydrogen 2.784 N/A LYS 268.A N ASP 264.A O no hydrogen 2.981 N/A LYS 268.A NZ ASN 54.A OD1 no hydrogen 2.776 N/A LYS 268.A NZ ASP 264.A OD1 no hydrogen 3.170 N/A LYS 268.A NZ ASP 264.A OD2 no hydrogen 2.848 N/A GLU 269.A N TRP 266.A O no hydrogen 3.030 N/A ARG 270.A N LEU 267.A O.A no hydrogen 3.032 N/A ARG 270.A N LEU 267.A O.B no hydrogen 3.269 N/A ARG 270.A NE TRP 266.A O no hydrogen 2.942 N/A ARG 270.A NH2 TRP 266.A O no hydrogen 3.192 N/A