Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4u1s_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 2.A N GLU 265.A OE2 no hydrogen 3.443 N/A HIS 4.A N VAL 104.A O no hydrogen 2.937 N/A HIS 4.A ND1 ASP 30.A OD2 no hydrogen 2.665 N/A HIS 4.A NE2 GLU 181.A OE2 no hydrogen 2.865 N/A SER 5.A N ASP 30.A OD1 no hydrogen 2.841 N/A MET 6.A N CYS 102.A O no hydrogen 2.857 N/A ARG 7.A N TYR 28.A O no hydrogen 2.931 N/A ARG 7.A NH1 MET 6.A O no hydrogen 3.053 N/A ARG 7.A NH1 CYS 102.A O no hydrogen 3.328 N/A ARG 7.A NH1 ASP 103.A OD1 no hydrogen 2.868 N/A ARG 7.A NH2 ASP 103.A OD1 no hydrogen 2.743 N/A ARG 7.A NH2 ASP 103.A OD2 no hydrogen 3.569 N/A TYR 8.A N TYR 100.A O no hydrogen 2.934 N/A PHE 9.A N VAL 26.A O no hydrogen 2.845 N/A TYR 10.A N SER 98.A O no hydrogen 2.883 N/A THR 11.A N ILE 24.A O no hydrogen 2.891 N/A SER 12.A N LEU 96.A O no hydrogen 2.805 N/A SER 12.A OG ASP 75.A OD2 no hydrogen 2.785 N/A VAL 13.A N ARG 22.A O no hydrogen 2.970 N/A SER 14.A N HIS 94.A O no hydrogen 2.883 N/A SER 14.A OG HIS 94.A O no hydrogen 3.379 N/A ARG 15.A NE GLU 20.A O no hydrogen 2.785 N/A ARG 15.A NH1 ASP 40.A OD1 no hydrogen 3.562 N/A ARG 15.A NH1 ASP 40.A OD2 no hydrogen 2.820 N/A ARG 15.A NH2 GLU 20.A O no hydrogen 2.911 N/A ARG 15.A NH2 ASP 40.A OD1 no hydrogen 2.713 N/A ARG 15.A NH2 ASP 40.A OD2 no hydrogen 3.501 N/A ARG 18.A N ARG 15.A O no hydrogen 2.831 N/A ARG 22.A N VAL 13.A O no hydrogen 2.953 N/A ARG 22.A NE ASP 38.A OD1 no hydrogen 2.976 N/A ARG 22.A NH2 ASP 38.A OD2 no hydrogen 2.831 N/A PHE 23.A N SER 39.A OG no hydrogen 2.851 N/A ILE 24.A N THR 11.A O no hydrogen 2.917 N/A SER 25.A N.A PHE 37.A O no hydrogen 2.936 N/A SER 25.A N.B PHE 37.A O no hydrogen 2.905 N/A VAL 26.A N PHE 9.A O no hydrogen 3.017 N/A GLY 27.A N VAL 35.A O no hydrogen 3.121 N/A TYR 28.A N ARG 7.A O no hydrogen 2.831 N/A VAL 29.A N THR 32.A O no hydrogen 2.921 N/A ASP 30.A N SER 5.A O no hydrogen 2.808 N/A THR 32.A N VAL 29.A O no hydrogen 2.851 N/A THR 32.A OG1 TYR 210.A OH no hydrogen 2.744 N/A GLN 33.A NE2 VAL 35.A O no hydrogen 3.100 N/A PHE 34.A N GLY 27.A O no hydrogen 2.848 N/A ARG 36.A N GLU 47.A O no hydrogen 3.126 N/A ARG 36.A NE GLU 47.A OE1 no hydrogen 2.737 N/A ARG 36.A NH2 GLU 47.A OE1 no hydrogen 2.867 N/A PHE 37.A N SER 25.A O.A no hydrogen 2.784 N/A PHE 37.A N SER 25.A O.B no hydrogen 2.990 N/A SER 39.A N PHE 23.A O no hydrogen 2.848 N/A SER 39.A OG PHE 23.A O no hydrogen 3.370 N/A ASP 40.A N ASP 38.A OD1 no hydrogen 2.921 N/A ALA 41.A N ASP 38.A O no hydrogen 3.041 N/A ARG 45.A NH2 ASP 62.A OD1 no hydrogen 2.567 N/A GLU 46.A N THR 65.A OG1 no hydrogen 2.969 N/A GLU 47.A N ARG 36.A O no hydrogen 2.864 N/A ARG 49.A N PHE 34.A O no hydrogen 2.808 N/A ILE 53.A N ALA 50.A O no hydrogen 3.417 N/A GLU 54.A N PRO 51.A O no hydrogen 3.129 N/A GLN 55.A NE2 ASN 175.A O no hydrogen 3.449 N/A GLU 56.A N ILE 53.A O no hydrogen 3.032 N/A TYR 60.A N GLY 57.A O no hydrogen 2.999 N/A TYR 60.A OH TYR 172.A OH no hydrogen 2.635 N/A TRP 61.A NE1 GLU 56.A O no hydrogen 2.949 N/A ASP 62.A N PRO 58.A O no hydrogen 2.907 N/A ARG 63.A N GLU 59.A O no hydrogen 3.029 N/A ARG 63.A NH1 ASN 64.A OD1 no hydrogen 2.896 N/A ASN 64.A N TYR 60.A O no hydrogen 3.068 N/A ASN 64.A ND2 GLU 46.A OE1 no hydrogen 3.452 N/A ASN 64.A ND2 GLU 46.A OE2 no hydrogen 2.771 N/A THR 65.A N TRP 61.A O no hydrogen 2.938 N/A THR 65.A OG1 TRP 61.A O no hydrogen 2.767 N/A GLN 66.A N ASP 62.A O no hydrogen 3.088 N/A ILE 67.A N ARG 63.A O no hydrogen 2.973 N/A TYR 68.A N ASN 64.A O no hydrogen 2.913 N/A TYR 68.A OH GLU 46.A OE1 no hydrogen 2.618 N/A LYS 69.A N THR 65.A O no hydrogen 3.064 N/A ALA 70.A N GLN 66.A O no hydrogen 3.076 N/A GLN 71.A N ILE 67.A O no hydrogen 2.831 N/A GLN 71.A NE2 GLN 71.A O no hydrogen 3.413 N/A GLN 71.A NE2 ASP 75.A OD1 no hydrogen 3.052 N/A ALA 72.A N TYR 68.A O no hydrogen 2.785 N/A GLN 73.A N LYS 69.A O no hydrogen 3.106 N/A THR 74.A N ALA 70.A O no hydrogen 2.947 N/A THR 74.A OG1 ALA 70.A O no hydrogen 2.960 N/A ASP 75.A N GLN 71.A O no hydrogen 2.760 N/A ARG 76.A N ALA 72.A O no hydrogen 3.055 N/A ARG 76.A NE PRO 21.A O no hydrogen 3.223 N/A ARG 76.A NH2 PRO 21.A O no hydrogen 2.861 N/A GLU 77.A N GLN 73.A O no hydrogen 3.149 N/A SER 78.A N THR 74.A O no hydrogen 2.871 N/A SER 78.A OG THR 74.A O no hydrogen 3.167 N/A LEU 79.A N ASP 75.A O no hydrogen 2.823 N/A ARG 80.A N ARG 76.A O no hydrogen 3.077 N/A ASN 81.A N GLU 77.A O no hydrogen 2.893 N/A LEU 82.A N SER 78.A O no hydrogen 2.807 N/A ARG 83.A N LEU 79.A O no hydrogen 2.993 N/A GLY 84.A N ARG 80.A O no hydrogen 3.188 N/A TYR 85.A N ASN 81.A O no hydrogen 2.805 N/A TYR 86.A N LEU 82.A O no hydrogen 2.993 N/A TYR 86.A OH ASP 138.A OD2 no hydrogen 2.599 N/A ASN 87.A N GLY 84.A O no hydrogen 3.087 N/A GLN 88.A N ARG 83.A O no hydrogen 2.827 N/A ALA 91.A N SER 89.A OG no hydrogen 2.966 N/A SER 93.A OG SER 14.A O no hydrogen 2.769 N/A HIS 94.A N SER 14.A OG no hydrogen 2.885 N/A HIS 94.A ND1 ASP 120.A OD2 no hydrogen 2.779 N/A THR 95.A N ASP 120.A OD1 no hydrogen 2.826 N/A LEU 96.A N SER 12.A O no hydrogen 2.837 N/A GLN 97.A N ALA 118.A O no hydrogen 2.853 N/A SER 98.A N TYR 10.A O no hydrogen 2.875 N/A MET 99.A N GLN 116.A O no hydrogen 2.876 N/A TYR 100.A N TYR 8.A O no hydrogen 3.139 N/A TYR 100.A OH TYR 10.A OH no hydrogen 2.723 N/A GLY 101.A N HIS 114.A O no hydrogen 3.084 N/A CYS 102.A N MET 6.A O no hydrogen 3.124 N/A ASP 103.A N ARG 112.A O no hydrogen 2.881 N/A VAL 104.A N HIS 4.A O no hydrogen 2.758 N/A GLY 105.A N ARG 109.A O no hydrogen 3.233 N/A GLY 108.A N GLY 105.A O no hydrogen 2.847 N/A ARG 109.A N ASP 107.A OD1 no hydrogen 3.227 N/A LEU 111.A N ASP 103.A O no hydrogen 2.732 N/A ARG 112.A N ASP 103.A O no hydrogen 3.415 N/A ARG 112.A NE GLY 113.A O no hydrogen 3.157 N/A ARG 112.A NH2 GLY 113.A O no hydrogen 2.912 N/A HIS 114.A N GLY 101.A O no hydrogen 2.840 N/A ASN 115.A ND2 TYR 117.A OH no hydrogen 3.125 N/A GLN 116.A N MET 99.A O no hydrogen 2.828 N/A TYR 117.A N ILE 125.A O no hydrogen 2.873 N/A ALA 118.A N GLN 97.A O no hydrogen 2.944 N/A TYR 119.A N LYS 122.A O no hydrogen 2.909 N/A TYR 119.A OH GLN 88.A OE1 no hydrogen 2.631 N/A ASP 120.A N THR 95.A O no hydrogen 2.868 N/A LYS 122.A N TYR 119.A O no hydrogen 3.093 N/A TYR 124.A N TYR 117.A O no hydrogen 2.890 N/A TYR 124.A OH SER 144.A OG no hydrogen 2.772 N/A ALA 126.A N THR 135.A O no hydrogen 2.971 N/A LEU 127.A N ASN 115.A O no hydrogen 2.874 N/A ASN 128.A N SER 133.A O no hydrogen 2.844 N/A ASN 128.A ND2 THR 135.A OG1 no hydrogen 2.641 N/A LEU 131.A N ASN 128.A O no hydrogen 2.868 N/A ARG 132.A N ASP 130.A OD1 no hydrogen 2.880 N/A SER 133.A N ASP 130.A OD1 no hydrogen 3.045 N/A SER 133.A OG ASN 128.A OD1 no hydrogen 2.792 N/A SER 133.A OG ASP 130.A OD1 no hydrogen 3.227 N/A SER 133.A OG ASP 130.A OD2 no hydrogen 2.802 N/A THR 135.A N ALA 126.A O no hydrogen 2.894 N/A ALA 137.A N TYR 124.A O no hydrogen 2.941 N/A ALA 141.A N ASP 138.A OD1 no hydrogen 2.856 N/A GLN 142.A N ASP 138.A O no hydrogen 3.032 N/A ILE 143.A N ALA 140.A O no hydrogen 2.932 N/A SER 144.A N ALA 140.A O no hydrogen 3.416 N/A SER 144.A OG TYR 124.A OH no hydrogen 2.772 N/A GLN 145.A N ALA 141.A O no hydrogen 2.847 N/A GLN 145.A NE2 GLU 149.A OE2 no hydrogen 3.021 N/A ARG 146.A N GLN 142.A O no hydrogen 3.022 N/A LYS 147.A N ILE 143.A O no hydrogen 3.180 N/A LYS 147.A NZ TYR 85.A OH no hydrogen 2.704 N/A LEU 148.A N SER 144.A O no hydrogen 2.856 N/A GLU 149.A N GLN 145.A O no hydrogen 2.983 N/A ALA 150.A N ARG 146.A O no hydrogen 2.871 N/A ALA 151.A N LYS 147.A O no hydrogen 3.074 N/A ARG 152.A N GLU 149.A O no hydrogen 3.227 N/A ARG 152.A NE GLU 149.A O no hydrogen 3.352 N/A VAL 153.A N LEU 148.A O no hydrogen 2.978 N/A GLU 155.A N ARG 152.A O no hydrogen 3.233 N/A LEU 157.A N VAL 153.A O no hydrogen 2.948 N/A ARG 158.A N ALA 154.A O no hydrogen 2.802 N/A ARG 158.A NE GLU 162.A OE1 no hydrogen 3.130 N/A ALA 159.A N GLU 155.A O no hydrogen 3.135 N/A TYR 160.A N GLN 156.A O no hydrogen 3.137 N/A LEU 161.A N LEU 157.A O no hydrogen 2.863 N/A GLU 162.A N ARG 158.A O no hydrogen 2.874 N/A GLY 163.A N TYR 160.A O no hydrogen 3.151 N/A CYS 165.A N TYR 160.A O no hydrogen 2.870 N/A GLU 167.A N GLY 163.A O no hydrogen 2.978 N/A TRP 168.A N GLU 164.A O no hydrogen 2.876 N/A LEU 169.A N CYS 165.A O no hydrogen 2.983 N/A ARG 170.A N VAL 166.A O no hydrogen 3.008 N/A ARG 170.A NE GLY 108.A O no hydrogen 2.898 N/A ARG 170.A NH2 GLY 108.A O no hydrogen 3.432 N/A ARG 171.A N GLU 167.A O no hydrogen 3.129 N/A ARG 171.A NE GLU 56.A OE1 no hydrogen 2.811 N/A ARG 171.A NH2 GLU 56.A OE1 no hydrogen 3.431 N/A ARG 171.A NH2 GLU 56.A OE2 no hydrogen 2.771 N/A TYR 172.A N TRP 168.A O no hydrogen 2.885 N/A TYR 172.A OH TYR 60.A OH no hydrogen 2.635 N/A LEU 173.A N LEU 169.A O no hydrogen 2.903 N/A GLU 174.A N ARG 170.A O no hydrogen 2.979 N/A ASN 175.A N ARG 171.A O no hydrogen 3.067 N/A ASN 175.A N TYR 172.A O no hydrogen 3.248 N/A LYS 179.A N GLY 176.A O no hydrogen 3.158 N/A LEU 180.A N GLY 176.A O no hydrogen 2.926 N/A GLU 181.A N LYS 177.A O no hydrogen 3.040 N/A ARG 182.A NE ASP 184.A OD1 no hydrogen 2.853 N/A ARG 182.A NE ASP 184.A OD2 no hydrogen 3.504 N/A ARG 182.A NH1 ASP 178.A O no hydrogen 2.688 N/A ARG 182.A NH2 ASP 184.A OD2 no hydrogen 3.538 N/A ASP 184.A N TYR 210.A O no hydrogen 2.881 N/A LYS 187.A N LEU 207.A O no hydrogen 2.912 N/A HIS 189.A N TRP 205.A O no hydrogen 3.247 N/A THR 191.A N ARG 203.A O no hydrogen 2.874 N/A THR 191.A OG1 ARG 203.A O no hydrogen 3.556 N/A HIS 192.A NE2 GLU 255.A OE1 no hydrogen 2.940 N/A HIS 193.A N THR 201.A O no hydrogen 2.820 N/A ILE 195.A N GLU 199.A O no hydrogen 3.019 N/A SER 196.A N GLU 199.A O no hydrogen 3.265 N/A HIS 198.A N SER 196.A OG no hydrogen 2.999 N/A GLU 199.A N SER 196.A OG no hydrogen 3.229 N/A ALA 200.A N VAL 250.A O no hydrogen 2.970 N/A THR 201.A N HIS 193.A O no hydrogen 2.791 N/A LEU 202.A N VAL 248.A O no hydrogen 2.869 N/A ARG 203.A N THR 191.A O no hydrogen 2.932 N/A CYS 204.A N THR 246.A O no hydrogen 2.756 N/A TRP 205.A N HIS 189.A O no hydrogen 2.808 N/A ALA 206.A N LYS 244.A O no hydrogen 2.860 N/A LEU 207.A N LYS 187.A O no hydrogen 2.907 N/A PHE 209.A N PHE 242.A O no hydrogen 3.269 N/A TYR 210.A N ASP 184.A O no hydrogen 2.993 N/A TYR 210.A OH THR 32.A OG1 no hydrogen 2.744 N/A ALA 212.A N ASP 31.A OD2 no hydrogen 2.879 N/A THR 215.A N GLN 263.A O no hydrogen 3.006 N/A THR 217.A N HIS 261.A O no hydrogen 2.956 N/A THR 217.A OG1 HIS 261.A O no hydrogen 3.442 N/A TRP 218.A NE1 THR 246.A O no hydrogen 3.088 N/A GLN 219.A N THR 259.A O.A no hydrogen 2.711 N/A GLN 219.A N THR 259.A O.B no hydrogen 2.734 N/A GLN 219.A NE2 ASP 224.A OD1 no hydrogen 3.135 N/A ARG 220.A N GLU 223.A O no hydrogen 2.938 N/A ARG 220.A NH1 GLU 254.A OE1 no hydrogen 2.980 N/A ARG 220.A NH2 GLU 254.A OE1 no hydrogen 2.882 N/A ARG 220.A NH2 TYR 258.A OH no hydrogen 2.891 N/A ASP 221.A N ARG 257.A O no hydrogen 2.897 N/A GLU 223.A N ARG 220.A O no hydrogen 2.958 N/A GLN 225.A N TRP 218.A O no hydrogen 2.911 N/A THR 229.A N THR 226.A O no hydrogen 3.218 N/A THR 229.A OG1 THR 226.A O no hydrogen 2.656 N/A GLU 230.A N ALA 247.A O no hydrogen 2.862 N/A VAL 232.A N TRP 245.A O no hydrogen 3.175 N/A ARG 235.A N GLN 243.A O no hydrogen 2.916 N/A ARG 235.A NE GLN 243.A OE1 no hydrogen 2.790 N/A ARG 235.A NH2 GLN 243.A OE1 no hydrogen 3.058 N/A ALA 237.A N THR 241.A O no hydrogen 2.881 N/A ARG 240.A NE ASP 184.A OD2 no hydrogen 3.328 N/A ARG 240.A NH1 LYS 179.A O no hydrogen 3.498 N/A ARG 240.A NH1 ARG 182.A O no hydrogen 2.937 N/A ARG 240.A NH1 ASP 184.A OD2 no hydrogen 2.875 N/A ARG 240.A NH2 LYS 179.A O no hydrogen 2.675 N/A THR 241.A N ASP 239.A OD1 no hydrogen 3.028 N/A THR 241.A OG1 ASP 239.A OD1 no hydrogen 2.731 N/A PHE 242.A N PHE 209.A O no hydrogen 2.886 N/A GLN 243.A N ARG 235.A O no hydrogen 2.865 N/A LYS 244.A N ALA 206.A O no hydrogen 2.886 N/A LYS 244.A NZ VAL 232.A O no hydrogen 2.818 N/A LYS 244.A NZ THR 234.A OG1 no hydrogen 3.032 N/A THR 246.A N CYS 204.A O no hydrogen 2.966 N/A THR 246.A OG1 GLU 230.A O no hydrogen 3.384 N/A ALA 247.A N GLU 230.A O no hydrogen 2.685 N/A VAL 248.A N LEU 202.A O no hydrogen 2.888 N/A VAL 249.A N ASP 228.A O no hydrogen 3.096 N/A VAL 250.A N ALA 200.A O no hydrogen 2.958 N/A SER 252.A N HIS 198.A O no hydrogen 2.926 N/A SER 252.A OG ASP 197.A O no hydrogen 3.030 N/A GLY 253.A N GLU 255.A OE2 no hydrogen 2.822 N/A GLU 254.A N PRO 251.A O no hydrogen 2.994 N/A GLU 255.A N GLU 255.A OE2 no hydrogen 2.850 N/A ARG 257.A N GLU 254.A O no hydrogen 3.014 N/A ARG 257.A NE ASP 221.A OD1 no hydrogen 2.950 N/A ARG 257.A NE ASP 221.A OD2 no hydrogen 3.382 N/A ARG 257.A NH2 ASP 221.A OD2 no hydrogen 2.704 N/A TYR 258.A N GLU 255.A O no hydrogen 3.095 N/A THR 259.A N.A GLN 219.A O no hydrogen 2.922 N/A THR 259.A N.B GLN 219.A O no hydrogen 2.926 N/A THR 259.A OG1.A THR 272.A OG1 no hydrogen 3.056 N/A THR 259.A OG1.A LEU 273.A O no hydrogen 3.080 N/A CYS 260.A N LEU 273.A O no hydrogen 2.929 N/A CYS 260.A SG THR 217.A O no hydrogen 3.943 N/A HIS 261.A N THR 217.A O no hydrogen 2.689 N/A VAL 262.A N LEU 271.A O no hydrogen 2.886 N/A GLN 263.A N THR 215.A O no hydrogen 2.984 N/A HIS 264.A NE2 TYR 210.A O no hydrogen 3.182 N/A LEU 267.A N HIS 264.A O no hydrogen 2.938 N/A LEU 271.A N VAL 262.A O no hydrogen 2.953 N/A THR 272.A OG1 THR 259.A OG1.A no hydrogen 3.056 N/A LEU 273.A N CYS 260.A O no hydrogen 2.888 N/A