Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4u3y_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 6.A N ASP 4.A OD1 no hydrogen 2.868 N/A ILE 8.A N PRO 5.A O no hydrogen 2.834 N/A PHE 9.A N PRO 5.A O no hydrogen 2.947 N/A GLU 10.A N ARG 27.A O no hydrogen 2.979 N/A VAL 12.A N LYS 25.A O no hydrogen 2.842 N/A GLU 13.A N LYS 25.A O no hydrogen 3.186 N/A VAL 15.A N VAL 23.A O no hydrogen 2.751 N/A GLY 16.A N VAL 23.A O no hydrogen 2.929 N/A ASN 17.A N GLN 141.A OE1 no hydrogen 3.045 N/A GLY 18.A N GLY 21.A O no hydrogen 2.966 N/A THR 19.A N ASP 137.A OD1 no hydrogen 2.982 N/A THR 19.A OG1 ARG 136.A O no hydrogen 2.807 N/A THR 19.A OG1 ASP 137.A OD1 no hydrogen 3.151 N/A GLN 22.A N VAL 39.A O no hydrogen 3.054 N/A VAL 23.A N GLY 16.A O no hydrogen 2.823 N/A TYR 24.A N ILE 37.A O no hydrogen 2.788 N/A LYS 25.A N GLU 13.A O no hydrogen 2.725 N/A GLY 26.A N ALA 35.A O no hydrogen 2.703 N/A ARG 27.A N GLU 10.A O no hydrogen 2.846 N/A ARG 27.A NE GLU 10.A OE2 no hydrogen 2.803 N/A ARG 27.A NH2 GLU 10.A OE2 no hydrogen 2.898 N/A HIS 28.A N GLN 33.A O no hydrogen 2.755 N/A VAL 29.A N ILE 8.A O no hydrogen 2.916 N/A LYS 30.A NZ GLY 7.A O no hydrogen 3.002 N/A THR 31.A N HIS 28.A O no hydrogen 3.345 N/A GLY 32.A N HIS 28.A O no hydrogen 2.766 N/A GLN 33.A N THR 31.A OG1 no hydrogen 3.139 N/A ALA 35.A N GLY 26.A O no hydrogen 2.962 N/A ALA 36.A N MET 89.A O no hydrogen 2.766 N/A ILE 37.A N TYR 24.A O no hydrogen 2.857 N/A LYS 38.A N LEU 87.A O no hydrogen 2.848 N/A LYS 38.A NZ ASP 137.A OD2 no hydrogen 2.771 N/A LYS 38.A NZ ASP 155.A OD2 no hydrogen 2.849 N/A VAL 39.A N GLN 22.A O no hydrogen 2.767 N/A MET 40.A N.A LEU 85.A O no hydrogen 2.871 N/A MET 40.A N.B LEU 85.A O no hydrogen 2.877 N/A VAL 42.A N ASP 83.A O no hydrogen 2.900 N/A THR 43.A N GLY 167.A O no hydrogen 2.985 N/A THR 43.A OG1 VAL 166.A O no hydrogen 2.833 N/A ASP 45.A N ASP 83.A OD2 no hydrogen 3.073 N/A GLU 47.A N GLU 47.A OE1 no hydrogen 2.967 N/A ILE 50.A N GLU 46.A O no hydrogen 2.984 N/A LYS 51.A N GLU 47.A O no hydrogen 2.959 N/A LYS 51.A NZ GLU 48.A OE1 no hydrogen 3.113 N/A LEU 52.A N GLU 48.A O no hydrogen 3.053 N/A GLU 53.A N GLU 49.A O no hydrogen 2.980 N/A ILE 54.A N ILE 50.A O no hydrogen 2.905 N/A ASN 55.A N LYS 51.A O no hydrogen 2.838 N/A MET 56.A N LEU 52.A O no hydrogen 3.110 N/A LEU 57.A N GLU 53.A O no hydrogen 3.357 N/A LEU 57.A N ILE 54.A O no hydrogen 3.091 N/A LYS 58.A N ILE 54.A O no hydrogen 2.928 N/A LYS 58.A NZ ASN 55.A OD1 no hydrogen 3.072 N/A TYR 60.A N LEU 57.A O no hydrogen 2.977 N/A SER 61.A N LYS 58.A O no hydrogen 2.993 N/A SER 61.A OG LYS 58.A O no hydrogen 2.763 N/A HIS 62.A N LYS 59.A O no hydrogen 3.387 N/A ASN 65.A ND2 HIS 63.A NE2 no hydrogen 3.260 N/A ILE 66.A N HIS 63.A O no hydrogen 3.073 N/A ALA 67.A N LEU 153.A O no hydrogen 2.835 N/A THR 68.A N GLU 90.A OE1 no hydrogen 2.774 N/A THR 68.A OG1 SER 61.A O no hydrogen 3.458 N/A THR 68.A OG1 GLU 90.A OE1 no hydrogen 3.143 N/A TYR 69.A N SER 61.A OG no hydrogen 3.025 N/A TYR 70.A N VAL 88.A O no hydrogen 2.804 N/A GLY 71.A N VAL 88.A O no hydrogen 3.173 N/A PHE 73.A N TRP 86.A O no hydrogen 2.940 N/A ILE 74.A N ARG 3.A O no hydrogen 2.831 N/A LYS 75.A N GLN 84.A O no hydrogen 2.778 N/A LYS 75.A NZ ASP 4.A OD1 no hydrogen 3.286 N/A LYS 75.A NZ ASP 4.A OD2 no hydrogen 3.353 N/A LYS 76.A NZ ASP 45.A OD1 no hydrogen 2.809 N/A LYS 76.A NZ GLU 47.A OE2 no hydrogen 2.806 N/A LYS 76.A NZ ASP 83.A OD1 no hydrogen 3.322 N/A LYS 76.A NZ ASP 83.A OD2 no hydrogen 2.844 N/A SER 77.A OG ASP 82.A O no hydrogen 2.701 N/A GLY 80.A N GLU 44.A OE1 no hydrogen 3.341 N/A GLY 80.A N GLU 44.A OE2 no hydrogen 2.933 N/A HIS 81.A N PRO 78.A O no hydrogen 3.020 N/A ASP 83.A N VAL 42.A O no hydrogen 2.797 N/A GLN 84.A N LYS 75.A O no hydrogen 2.858 N/A LEU 85.A N MET 40.A O.A no hydrogen 2.861 N/A LEU 85.A N MET 40.A O.B no hydrogen 2.725 N/A TRP 86.A N PHE 73.A O no hydrogen 2.799 N/A TRP 86.A NE1 GLN 84.A OE1 no hydrogen 2.870 N/A LEU 87.A N LYS 38.A O no hydrogen 2.851 N/A VAL 88.A N GLY 71.A O no hydrogen 2.858 N/A MET 89.A N ALA 36.A O no hydrogen 2.803 N/A GLU 90.A N THR 68.A O no hydrogen 2.840 N/A ALA 94.A N LEU 145.A O no hydrogen 2.833 N/A GLY 95.A N CYS 92.A O no hydrogen 3.021 N/A ILE 97.A N VAL 143.A O no hydrogen 2.968 N/A THR 98.A OG1 GLU 209.A OE2 no hydrogen 2.768 N/A ASP 99.A N SER 96.A OG no hydrogen 3.031 N/A LEU 100.A N SER 96.A O no hydrogen 3.035 N/A VAL 101.A N ILE 97.A O no hydrogen 2.952 N/A LYS 102.A N THR 98.A O no hydrogen 2.970 N/A ASN 103.A N ASP 99.A O no hydrogen 2.996 N/A ASN 103.A ND2 ASP 99.A O no hydrogen 2.872 N/A THR 104.A N VAL 101.A O no hydrogen 3.058 N/A THR 104.A OG1 LEU 100.A O no hydrogen 2.701 N/A THR 104.A OG1 HIS 289.A NE2 no hydrogen 2.771 N/A ASN 107.A N THR 104.A O no hydrogen 2.945 N/A THR 108.A OG1 ALA 211.A O no hydrogen 2.734 N/A LEU 109.A N MET 210.A O no hydrogen 2.979 N/A TRP 113.A N LYS 110.A O no hydrogen 2.988 N/A TRP 113.A NE1 GLN 285.A OE1 no hydrogen 2.925 N/A ILE 114.A N LYS 110.A O no hydrogen 3.145 N/A ALA 115.A N GLU 111.A O no hydrogen 2.970 N/A TYR 116.A N ASP 112.A O no hydrogen 3.152 N/A TYR 116.A OH ALA 149.A O no hydrogen 2.722 N/A ILE 117.A N TRP 113.A O no hydrogen 2.923 N/A SER 118.A N ILE 114.A O no hydrogen 2.786 N/A SER 118.A OG ILE 114.A O no hydrogen 2.728 N/A ARG 119.A N ALA 115.A O no hydrogen 2.981 N/A ARG 119.A NE GLU 120.A OE1 no hydrogen 3.086 N/A ARG 119.A NH1 GLU 279.A OE2 no hydrogen 2.782 N/A ARG 119.A NH2 GLU 120.A OE1 no hydrogen 3.056 N/A ARG 119.A NH2 GLU 279.A OE1 no hydrogen 2.811 N/A GLU 120.A N TYR 116.A O no hydrogen 3.098 N/A ILE 121.A N ILE 117.A O no hydrogen 2.939 N/A LEU 122.A N SER 118.A O no hydrogen 2.910 N/A ARG 123.A N ARG 119.A O no hydrogen 2.817 N/A GLY 124.A N GLU 120.A O no hydrogen 3.014 N/A LEU 125.A N ILE 121.A O no hydrogen 2.872 N/A ALA 126.A N LEU 122.A O no hydrogen 2.768 N/A HIS 127.A N ARG 123.A O no hydrogen 3.172 N/A LEU 128.A N GLY 124.A O no hydrogen 3.199 N/A HIS 129.A N LEU 125.A O no hydrogen 2.755 N/A HIS 129.A ND1 THR 264.A OG1 no hydrogen 2.714 N/A HIS 129.A NE2 ASP 199.A OD2 no hydrogen 2.770 N/A ILE 130.A N ALA 126.A O no hydrogen 2.938 N/A HIS 131.A N LEU 128.A O no hydrogen 2.998 N/A HIS 131.A ND1 HIS 127.A O no hydrogen 2.751 N/A HIS 132.A N HIS 129.A O no hydrogen 2.939 N/A VAL 133.A N LEU 128.A O no hydrogen 2.934 N/A HIS 135.A N ASP 199.A OD2 no hydrogen 2.909 N/A HIS 135.A NE2 VAL 154.A O no hydrogen 2.803 N/A ARG 136.A N ASP 199.A OD1 no hydrogen 2.821 N/A ARG 136.A NH2 TYR 20.A OH no hydrogen 2.758 N/A ASP 137.A N HIS 135.A ND1 no hydrogen 2.966 N/A LYS 139.A NZ ASN 17.A O no hydrogen 2.705 N/A LYS 139.A NZ GLN 141.A OE1 no hydrogen 3.408 N/A GLY 140.A N GLU 209.A OE1 no hydrogen 2.926 N/A ASN 142.A N LYS 139.A O no hydrogen 2.956 N/A ASN 142.A ND2 ASP 137.A O no hydrogen 2.776 N/A VAL 143.A N GLY 140.A O no hydrogen 3.273 N/A LEU 144.A N LYS 152.A O no hydrogen 2.822 N/A LEU 145.A N GLY 95.A O no hydrogen 2.847 N/A THR 146.A N GLU 150.A O no hydrogen 2.890 N/A THR 146.A OG1 GLU 150.A OE2 no hydrogen 3.134 N/A GLU 147.A N GLU 147.A OE1 no hydrogen 2.699 N/A ALA 149.A N THR 146.A O no hydrogen 2.916 N/A GLU 150.A N THR 146.A OG1 no hydrogen 2.967 N/A LYS 152.A N LEU 144.A O no hydrogen 2.896 N/A LYS 152.A NZ GLU 90.A OE1 no hydrogen 3.152 N/A LYS 152.A NZ GLU 90.A OE2 no hydrogen 2.907 N/A LEU 153.A N ASN 65.A O no hydrogen 2.842 N/A VAL 154.A N ASN 142.A O no hydrogen 2.829 N/A PHE 156.A N ASP 155.A OD1 no hydrogen 2.740 N/A VAL 158.A N ASP 155.A OD1 no hydrogen 2.965 N/A SER 159.A N ASP 155.A OD2 no hydrogen 2.933 N/A SER 159.A OG ASP 137.A OD2 no hydrogen 3.536 N/A SER 159.A OG ASP 155.A OD2 no hydrogen 2.882 N/A GLN 161.A N GLY 157.A O no hydrogen 2.937 N/A GLN 161.A NE2 GLU 53.A OE1 no hydrogen 2.858 N/A LEU 162.A N VAL 158.A O no hydrogen 2.830 N/A ASP 163.A N SER 159.A O no hydrogen 3.049 N/A ARG 164.A N ALA 160.A O no hydrogen 3.411 N/A THR 165.A N LEU 162.A O no hydrogen 3.189 N/A THR 165.A OG1 GLN 161.A O no hydrogen 2.760 N/A VAL 166.A N THR 165.A OG1 no hydrogen 2.805 N/A GLY 167.A N LEU 162.A O no hydrogen 2.775 N/A ARG 168.A NH1 ASN 170.A O no hydrogen 2.792 N/A ARG 169.A N ASP 82.A OD1 no hydrogen 2.913 N/A ASN 170.A N ASP 82.A OD2 no hydrogen 2.800 N/A ASN 170.A ND2 ASP 41.A OD2 no hydrogen 2.821 N/A THR 171.A N.A ARG 169.A O no hydrogen 2.887 N/A THR 171.A N.B ARG 169.A O no hydrogen 2.918 N/A THR 171.A OG1.B ARG 169.A O no hydrogen 3.259 N/A TYR 177.A OH MET 220.A O no hydrogen 2.713 N/A TRP 178.A NE1 GLU 209.A OE1 no hydrogen 2.934 N/A MET 179.A N PRO 176.A O no hydrogen 2.982 N/A GLU 182.A N GLU 182.A OE1 no hydrogen 2.784 N/A VAL 183.A N ALA 180.A O no hydrogen 2.952 N/A ILE 184.A N PRO 181.A O no hydrogen 3.087 N/A CYS 186.A N.A ASN 189.A O no hydrogen 3.002 N/A CYS 186.A N.B ASN 189.A O no hydrogen 2.997 N/A CYS 186.A SG.A GLU 188.A OE1 no hydrogen 3.528 N/A ASN 189.A N CYS 186.A O.A no hydrogen 2.986 N/A ASN 189.A N CYS 186.A O.B no hydrogen 2.927 N/A ASN 189.A ND2 GLU 182.A O no hydrogen 2.858 N/A ASN 189.A ND2 ILE 184.A O no hydrogen 3.130 N/A ARG 197.A N ASP 195.A OD1 no hydrogen 2.847 N/A ARG 197.A NE ASP 195.A OD1 no hydrogen 2.956 N/A ARG 197.A NH1 ASP 195.A OD2 no hydrogen 3.136 N/A SER 198.A N.A ASP 195.A O no hydrogen 3.039 N/A SER 198.A N.B ASP 195.A O no hydrogen 3.030 N/A SER 198.A OG.A ASP 195.A O no hydrogen 2.667 N/A SER 198.A OG.B GLU 182.A OE2 no hydrogen 2.676 N/A SER 198.A OG.B ASP 195.A O no hydrogen 3.217 N/A ASP 199.A N TYR 196.A O no hydrogen 3.024 N/A LEU 200.A N ARG 197.A O no hydrogen 2.988 N/A TRP 201.A N ARG 197.A O no hydrogen 3.345 N/A SER 202.A N SER 198.A O.A no hydrogen 3.204 N/A SER 202.A N SER 198.A O.B no hydrogen 3.213 N/A SER 202.A OG TRP 178.A O no hydrogen 2.738 N/A SER 202.A OG SER 198.A O.A no hydrogen 3.291 N/A SER 202.A OG SER 198.A O.B no hydrogen 3.299 N/A CYS 203.A N.A ASP 199.A O no hydrogen 2.898 N/A CYS 203.A N.B ASP 199.A O no hydrogen 2.957 N/A CYS 203.A SG.B ASP 199.A O no hydrogen 3.269 N/A GLY 204.A N LEU 200.A O no hydrogen 3.019 N/A ILE 205.A N TRP 201.A O no hydrogen 2.966 N/A THR 206.A N SER 202.A O no hydrogen 2.894 N/A THR 206.A OG1 SER 202.A O no hydrogen 2.810 N/A ALA 207.A N CYS 203.A O.A no hydrogen 2.994 N/A ALA 207.A N CYS 203.A O.B no hydrogen 2.887 N/A ILE 208.A N GLY 204.A O no hydrogen 3.088 N/A GLU 209.A N ILE 205.A O no hydrogen 2.841 N/A MET 210.A N THR 206.A O no hydrogen 2.951 N/A ALA 211.A N ALA 207.A O no hydrogen 2.983 N/A GLU 212.A N ILE 208.A O no hydrogen 2.794 N/A GLY 213.A N GLU 209.A O no hydrogen 2.766 N/A CYS 218.A N.A PRO 215.A O no hydrogen 3.332 N/A CYS 218.A N.B PRO 215.A O no hydrogen 3.332 N/A CYS 218.A SG.A ASP 219.A OD1 no hydrogen 3.636 N/A MET 220.A N LEU 217.A O no hydrogen 2.963 N/A MET 223.A N HIS 221.A ND1 no hydrogen 2.909 N/A ARG 224.A N.A HIS 221.A O no hydrogen 2.982 N/A ALA 225.A N HIS 221.A O no hydrogen 3.066 N/A LEU 226.A N PRO 222.A O no hydrogen 2.886 N/A PHE 227.A N MET 223.A O no hydrogen 3.248 N/A LEU 228.A N ARG 224.A O.A no hydrogen 2.967 N/A LEU 228.A N ARG 224.A O.B no hydrogen 2.878 N/A ILE 229.A N ALA 225.A O no hydrogen 2.948 N/A ARG 231.A N LEU 228.A O no hydrogen 2.928 N/A ARG 231.A NH2 PHE 227.A O no hydrogen 2.667 N/A ASN 232.A N LEU 228.A O no hydrogen 2.760 N/A LYS 238.A N GLU 212.A OE2 no hydrogen 2.752 N/A LYS 241.A N SER 239.A OG no hydrogen 3.093 N/A SER 243.A N GLU 111.A OE1 no hydrogen 2.885 N/A SER 243.A OG GLU 111.A OE2 no hydrogen 2.540 N/A PHE 246.A N SER 243.A OG no hydrogen 3.053 N/A PHE 247.A N SER 243.A O no hydrogen 3.151 N/A SER 248.A N LYS 244.A O no hydrogen 2.835 N/A SER 248.A OG HIS 270.A NE2 no hydrogen 2.816 N/A PHE 249.A N LYS 245.A O no hydrogen 2.890 N/A ILE 250.A N PHE 246.A O no hydrogen 3.012 N/A GLU 251.A N PHE 247.A O no hydrogen 2.994 N/A GLY 252.A N SER 248.A O no hydrogen 3.073 N/A CYS 253.A N PHE 249.A O no hydrogen 2.991 N/A CYS 253.A SG PHE 249.A O no hydrogen 3.642 N/A LEU 254.A N ILE 250.A O no hydrogen 2.848 N/A LYS 256.A NZ PRO 230.A O no hydrogen 2.871 N/A LYS 256.A NZ ASN 232.A O no hydrogen 2.758 N/A MET 259.A N ASN 257.A OD1 no hydrogen 3.027 N/A GLN 260.A N ASN 257.A O no hydrogen 2.891 N/A ARG 261.A N TYR 258.A O no hydrogen 3.106 N/A ARG 261.A NE VAL 255.A O no hydrogen 2.817 N/A ARG 261.A NH1 GLU 182.A OE2 no hydrogen 2.796 N/A ARG 261.A NH1 ARG 197.A O no hydrogen 2.905 N/A ARG 261.A NH2 GLU 182.A OE1 no hydrogen 2.954 N/A ARG 261.A NH2 VAL 255.A O no hydrogen 2.887 N/A SER 263.A N GLN 266.A OE1 no hydrogen 2.915 N/A SER 263.A OG GLN 266.A OE1 no hydrogen 3.393 N/A THR 264.A OG1 HIS 129.A ND1 no hydrogen 2.714 N/A GLN 266.A N SER 263.A OG no hydrogen 3.141 N/A LEU 267.A N SER 263.A O no hydrogen 2.961 N/A LEU 268.A N THR 264.A O no hydrogen 2.978 N/A LYS 269.A N GLN 266.A O no hydrogen 3.079 N/A HIS 270.A N LEU 267.A O no hydrogen 2.973 N/A HIS 270.A NE2 SER 248.A OG no hydrogen 2.816 N/A PHE 272.A N HIS 270.A ND1 no hydrogen 2.966 N/A ILE 273.A N HIS 270.A O no hydrogen 2.857 N/A ARG 274.A N HIS 270.A O no hydrogen 2.805 N/A ARG 274.A NE ASP 275.A OD1 no hydrogen 2.947 N/A ARG 274.A NH2 ASP 275.A OD2 no hydrogen 2.799 N/A ASP 275.A N PRO 271.A O no hydrogen 3.034 N/A GLU 279.A N GLN 276.A O no hydrogen 3.280 N/A VAL 282.A N ASN 278.A O no hydrogen 2.823 N/A ARG 283.A N GLU 279.A O no hydrogen 2.990 N/A ARG 283.A NE ASN 148.A O no hydrogen 3.360 N/A ARG 283.A NH2 ASN 148.A O no hydrogen 2.798 N/A ILE 284.A N ARG 280.A O no hydrogen 3.086 N/A GLN 285.A N GLN 281.A O no hydrogen 2.930 N/A LEU 286.A N VAL 282.A O no hydrogen 2.849 N/A LYS 287.A N ARG 283.A O no hydrogen 2.969 N/A ASP 288.A N ILE 284.A O no hydrogen 2.916 N/A HIS 289.A N GLN 285.A O no hydrogen 2.872 N/A HIS 289.A NE2 THR 104.A OG1 no hydrogen 2.771 N/A ILE 290.A N LEU 286.A O no hydrogen 2.821 N/A ASP 291.A N LYS 287.A O no hydrogen 3.006 N/A ARG 292.A N ASP 288.A O no hydrogen 3.013 N/A ARG 292.A NE ASP 288.A OD2 no hydrogen 3.175 N/A ARG 292.A NH1 HIS 289.A ND1 no hydrogen 3.280 N/A ARG 292.A NH2 ASP 288.A OD2 no hydrogen 3.175 N/A THR 293.A N HIS 289.A O no hydrogen 2.972 N/A THR 293.A OG1 HIS 289.A O no hydrogen 2.872 N/A ARG 294.A N ILE 290.A O no hydrogen 3.084 N/A LYS 295.A N ASP 291.A O no hydrogen 3.375 N/A