Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u2u_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N ASP 4.A OD1 no hydrogen 2.556 N/A SER 1.A OG THR 33.A OG1 no hydrogen 3.423 N/A ALA 6.A N LYS 98.A O no hydrogen 3.367 N/A PHE 7.A N ARG 35.A O no hydrogen 2.845 N/A VAL 8.A N VAL 100.A O no hydrogen 2.825 N/A THR 9.A N VAL 37.A O no hydrogen 2.936 N/A THR 9.A OG1 MET 102.A O no hydrogen 2.658 N/A LEU 10.A N THR 9.A OG1 no hydrogen 2.782 N/A THR 11.A N LEU 39.A O no hydrogen 2.881 N/A THR 11.A OG1 ASN 13.A O no hydrogen 2.695 N/A ASN 13.A N THR 11.A OG1 no hydrogen 3.374 N/A TYR 16.A N ASN 13.A OD1 no hydrogen 2.840 N/A ALA 17.A N ASN 13.A O no hydrogen 3.140 N/A LYS 18.A N ALA 15.A O no hydrogen 3.034 N/A ALA 20.A N TYR 16.A O no hydrogen 2.938 N/A LEU 21.A N ALA 17.A O no hydrogen 2.888 N/A VAL 22.A N LYS 18.A O no hydrogen 3.019 N/A LEU 23.A N GLY 19.A O no hydrogen 2.867 N/A GLY 24.A N ALA 20.A O no hydrogen 2.816 N/A SER 25.A N LEU 21.A O no hydrogen 2.912 N/A SER 25.A OG.A LEU 21.A O no hydrogen 2.792 N/A SER 26.A N VAL 22.A O no hydrogen 2.875 N/A SER 26.A OG LEU 23.A O no hydrogen 2.714 N/A LEU 27.A N LEU 23.A O no hydrogen 2.944 N/A LYS 28.A N GLY 24.A O no hydrogen 3.030 N/A GLN 29.A N SER 25.A O no hydrogen 2.846 N/A HIS 30.A N SER 26.A O no hydrogen 3.187 N/A ARG 31.A N LYS 28.A O no hydrogen 2.985 N/A THR 32.A N LEU 27.A O no hydrogen 3.237 N/A THR 32.A OG1 ASP 113.A OD1 no hydrogen 2.669 N/A THR 32.A OG1 ASP 113.A OD2 no hydrogen 3.486 N/A THR 33.A N ASP 113.A OD2 no hydrogen 3.030 N/A THR 33.A OG1 SER 1.A OG no hydrogen 3.423 N/A THR 33.A OG1 ASP 113.A OD2 no hydrogen 3.358 N/A ARG 34.A N THR 32.A OG1 no hydrogen 3.034 N/A ARG 34.A NE GLN 5.A OE1 no hydrogen 2.809 N/A ARG 34.A NH2 GLN 5.A OE1 no hydrogen 2.907 N/A ARG 35.A N GLN 5.A O no hydrogen 3.055 N/A LEU 36.A N ASP 57.A OD2 no hydrogen 2.867 N/A VAL 37.A N PHE 7.A O no hydrogen 2.859 N/A VAL 38.A N GLU 58.A O no hydrogen 3.080 N/A LEU 39.A N THR 9.A O no hydrogen 2.885 N/A ALA 40.A N ILE 60.A O no hydrogen 2.915 N/A THR 41.A OG1 GLN 43.A OE1.B no hydrogen 2.751 N/A GLN 43.A N GLN 43.A OE1.B no hydrogen 2.934 N/A VAL 44.A N THR 41.A O no hydrogen 3.070 N/A SER 45.A N ASP 14.A OD1 no hydrogen 2.871 N/A SER 45.A OG ASP 14.A OD1 no hydrogen 3.525 N/A SER 45.A OG ASP 14.A OD2 no hydrogen 2.896 N/A SER 45.A OG SER 47.A OG no hydrogen 3.191 N/A SER 47.A OG SER 45.A OG no hydrogen 3.191 N/A MET 48.A N SER 45.A OG no hydrogen 3.057 N/A ARG 49.A N SER 45.A O no hydrogen 2.879 N/A ARG 49.A NE VAL 44.A O no hydrogen 2.998 N/A ARG 49.A NH2 PRO 42.A O no hydrogen 3.130 N/A ARG 49.A NH2 VAL 44.A O no hydrogen 3.103 N/A LYS 50.A N ASP 46.A O no hydrogen 3.078 N/A LYS 50.A NZ ASP 46.A O no hydrogen 3.496 N/A VAL 51.A N SER 47.A O no hydrogen 3.129 N/A LEU 52.A N MET 48.A O no hydrogen 2.827 N/A GLU 53.A N ARG 49.A O no hydrogen 3.024 N/A THR 54.A N VAL 51.A O no hydrogen 2.862 N/A THR 54.A OG1 VAL 51.A O no hydrogen 2.669 N/A VAL 55.A N LEU 52.A O no hydrogen 3.125 N/A PHE 56.A N LEU 52.A O no hydrogen 2.828 N/A ASP 57.A N LEU 36.A O no hydrogen 2.739 N/A GLU 58.A N LEU 36.A O no hydrogen 3.339 N/A ILE 60.A N VAL 38.A O no hydrogen 2.896 N/A VAL 62.A N ALA 40.A O no hydrogen 2.837 N/A LEU 65.A N THR 86.A OG1 no hydrogen 2.937 N/A SER 67.A N GLY 82.A O no hydrogen 3.069 N/A SER 67.A OG GLY 162.A O no hydrogen 2.663 N/A GLY 68.A N ASP 66.A OD1 no hydrogen 2.854 N/A ASP 69.A N SER 67.A OG no hydrogen 3.087 N/A SER 70.A N GLY 68.A O no hydrogen 2.969 N/A HIS 72.A N ASP 69.A OD1 no hydrogen 3.249 N/A HIS 72.A ND1 ASP 69.A OD2 no hydrogen 2.685 N/A LEU 73.A N ASP 69.A O no hydrogen 3.002 N/A THR 74.A N SER 70.A O no hydrogen 2.820 N/A THR 74.A OG1 SER 70.A O no hydrogen 2.574 N/A THR 74.A OG1 ALA 71.A O no hydrogen 3.251 N/A LEU 75.A N ALA 71.A O no hydrogen 3.197 N/A MET 76.A N LEU 73.A O no hydrogen 3.174 N/A LYS 77.A N THR 74.A O no hydrogen 2.943 N/A ARG 78.A N LEU 73.A O no hydrogen 2.972 N/A ARG 78.A NE GLU 80.A OE2 no hydrogen 2.791 N/A ARG 78.A NH2 GLU 80.A OE2 no hydrogen 2.905 N/A GLU 80.A N GLU 80.A OE1 no hydrogen 2.804 N/A LEU 81.A N ARG 78.A O no hydrogen 3.159 N/A THR 84.A N LEU 81.A O no hydrogen 3.050 N/A THR 84.A OG1 LEU 81.A O no hydrogen 2.671 N/A THR 84.A OG1 ASP 164.A OD1 no hydrogen 3.279 N/A LEU 85.A N GLY 82.A O no hydrogen 3.490 N/A THR 86.A N VAL 83.A O no hydrogen 3.075 N/A THR 86.A OG1 LEU 65.A O no hydrogen 3.183 N/A THR 86.A OG1 VAL 83.A O no hydrogen 2.705 N/A LYS 87.A N THR 84.A O no hydrogen 2.988 N/A LYS 87.A NZ ASP 103.A OD1 no hydrogen 2.914 N/A LYS 87.A NZ SER 135.A O no hydrogen 2.920 N/A LYS 87.A NZ ASP 164.A OD1 no hydrogen 3.258 N/A LYS 87.A NZ ASP 164.A OD2 no hydrogen 2.748 N/A LEU 88.A N LEU 85.A O no hydrogen 2.929 N/A HIS 89.A N THR 86.A O no hydrogen 3.158 N/A HIS 89.A ND1 TYR 147.A OH no hydrogen 2.635 N/A HIS 89.A NE2 ASP 63.A O no hydrogen 2.740 N/A CYS 90.A N LYS 87.A O no hydrogen 2.847 N/A CYS 90.A SG LYS 87.A O no hydrogen 3.072 N/A TRP 91.A N LEU 88.A O no hydrogen 3.175 N/A TRP 91.A NE1 GLU 120.A OE2 no hydrogen 2.819 N/A SER 92.A N HIS 89.A O no hydrogen 3.026 N/A SER 92.A OG HIS 89.A O no hydrogen 2.727 N/A LEU 93.A N CYS 90.A O no hydrogen 3.369 N/A THR 94.A N SER 92.A O no hydrogen 2.864 N/A GLN 95.A N GLN 95.A OE1 no hydrogen 2.797 N/A TYR 96.A N LEU 93.A O no hydrogen 2.982 N/A SER 97.A N ASP 4.A O no hydrogen 2.825 N/A SER 97.A OG ASP 4.A O no hydrogen 3.265 N/A SER 97.A OG ASP 4.A OD2 no hydrogen 3.249 N/A LYS 98.A NZ PHE 116.A O no hydrogen 2.816 N/A LYS 98.A NZ ARG 118.A O no hydrogen 2.797 N/A CYS 99.A N TYR 140.A O no hydrogen 2.945 N/A VAL 100.A N ALA 6.A O no hydrogen 2.926 N/A PHE 101.A N PHE 138.A O no hydrogen 2.820 N/A MET 102.A N VAL 8.A O no hydrogen 2.814 N/A ASP 103.A N GLY 136.A O no hydrogen 2.806 N/A THR 106.A N ASP 103.A O no hydrogen 3.134 N/A THR 106.A OG1 ASP 103.A O no hydrogen 2.716 N/A LEU 107.A N VAL 212.A O no hydrogen 2.945 N/A VAL 108.A N SER 26.A OG no hydrogen 3.034 N/A LEU 109.A N LYS 210.A O no hydrogen 2.771 N/A ASN 111.A ND2 HIS 30.A O no hydrogen 2.851 N/A ASP 113.A N ASN 111.A OD1 no hydrogen 2.913 N/A LEU 115.A N ILE 112.A O no hydrogen 3.078 N/A PHE 116.A N ASP 113.A O no hydrogen 3.071 N/A ASP 117.A N ASP 114.A O no hydrogen 3.073 N/A ARG 118.A N LEU 115.A O no hydrogen 3.009 N/A ARG 118.A NH1.A ARG 181.A O no hydrogen 2.763 N/A SER 122.A N VAL 139.A O no hydrogen 3.300 N/A SER 122.A OG GLU 119.A O no hydrogen 2.642 N/A ALA 123.A N LYS 182.A O no hydrogen 2.970 N/A ASP 126.A N CYS 132.A O no hydrogen 2.932 N/A TRP 129.A N ASP 126.A O no hydrogen 3.246 N/A CYS 132.A N TRP 129.A O no hydrogen 2.887 N/A PHE 133.A N ASN 169.A OD1 no hydrogen 2.919 N/A ASN 134.A N ALA 124.A O no hydrogen 2.854 N/A ASN 134.A ND2 ASP 126.A OD1 no hydrogen 2.971 N/A SER 135.A N GLN 165.A OE1 no hydrogen 2.841 N/A SER 135.A OG ASP 164.A OD2 no hydrogen 2.579 N/A SER 135.A OG GLN 165.A OE1 no hydrogen 3.448 N/A GLY 136.A N ASN 134.A OD1 no hydrogen 2.818 N/A PHE 138.A N PHE 101.A O no hydrogen 2.988 N/A VAL 139.A N SER 122.A O no hydrogen 2.882 N/A TYR 140.A N CYS 99.A O no hydrogen 2.930 N/A TYR 140.A OH CYS 90.A O no hydrogen 2.794 N/A GLN 141.A N GLU 120.A OE2 no hydrogen 2.812 N/A SER 143.A N TRP 91.A O no hydrogen 2.813 N/A SER 143.A OG THR 146.A OG1 no hydrogen 3.345 N/A THR 146.A N SER 143.A OG no hydrogen 3.148 N/A THR 146.A OG1 SER 143.A OG no hydrogen 3.345 N/A TYR 147.A N SER 143.A O no hydrogen 2.902 N/A TYR 147.A OH HIS 89.A ND1 no hydrogen 2.635 N/A ASN 148.A N VAL 144.A O no hydrogen 3.029 N/A ASN 148.A ND2 VAL 144.A O no hydrogen 2.810 N/A GLN 149.A N GLU 145.A O no hydrogen 2.908 N/A LEU 150.A N THR 146.A O no hydrogen 2.859 N/A LEU 151.A N TYR 147.A O no hydrogen 2.950 N/A HIS 152.A N ASN 148.A O no hydrogen 2.995 N/A LEU 153.A N GLN 149.A O no hydrogen 2.938 N/A ALA 154.A N LEU 150.A O no hydrogen 2.926 N/A SER 155.A N LEU 151.A O no hydrogen 2.909 N/A SER 155.A OG LEU 151.A O no hydrogen 3.386 N/A GLU 156.A N HIS 152.A O no hydrogen 2.923 N/A GLN 157.A N LEU 153.A O no hydrogen 2.840 N/A GLN 157.A NE2 GLU 156.A OE1 no hydrogen 3.089 N/A GLY 158.A N LEU 153.A O no hydrogen 3.273 N/A GLY 158.A N ALA 154.A O no hydrogen 3.027 N/A SER 159.A OG ASP 161.A OD1 no hydrogen 2.865 N/A SER 159.A OG GLY 163.A O no hydrogen 2.633 N/A ASP 161.A N SER 159.A OG no hydrogen 3.377 N/A GLY 162.A N SER 159.A O no hydrogen 3.134 N/A GLY 163.A N ASP 161.A OD1 no hydrogen 2.893 N/A ASP 164.A N THR 84.A OG1 no hydrogen 3.064 N/A GLY 166.A N ASP 161.A OD1 no hydrogen 3.030 N/A LEU 168.A N ASP 164.A O no hydrogen 2.912 N/A ASN 169.A N GLN 165.A O no hydrogen 2.937 N/A ASN 169.A ND2 PHE 133.A O no hydrogen 3.020 N/A ASN 169.A ND2 GLN 165.A O no hydrogen 2.932 N/A THR 170.A N GLY 166.A O no hydrogen 2.901 N/A THR 170.A OG1 GLY 166.A O no hydrogen 3.043 N/A PHE 171.A N ILE 167.A O no hydrogen 2.824 N/A PHE 172.A N LEU 168.A O no hydrogen 2.897 N/A TRP 175.A N PHE 172.A O no hydrogen 3.493 N/A TRP 175.A NE1 ALA 123.A O no hydrogen 3.120 N/A TRP 175.A NE1 LYS 182.A O no hydrogen 2.988 N/A THR 177.A N SER 174.A O no hydrogen 3.136 N/A THR 177.A OG1 SER 174.A O no hydrogen 3.510 N/A THR 177.A OG1 THR 178.A OG1 no hydrogen 3.412 N/A THR 178.A N SER 174.A O no hydrogen 2.959 N/A THR 178.A OG1 SER 174.A O no hydrogen 3.440 N/A THR 178.A OG1 THR 177.A OG1 no hydrogen 3.412 N/A ARG 181.A N ASP 179.A OD1 no hydrogen 3.034 N/A ARG 181.A NE ASP 179.A OD1 no hydrogen 2.978 N/A ARG 181.A NH1 ASP 179.A OD2 no hydrogen 3.155 N/A LYS 182.A N ASP 179.A O no hydrogen 2.904 N/A LYS 182.A NZ GLU 120.A O no hydrogen 2.891 N/A HIS 183.A N ILE 180.A O no hydrogen 2.959 N/A HIS 183.A NE2 TRP 175.A O no hydrogen 2.834 N/A LEU 184.A N ALA 123.A O no hydrogen 2.952 N/A TYR 188.A N PRO 185.A O no hydrogen 2.893 N/A TYR 188.A OH ASP 114.A OD1 no hydrogen 2.810 N/A ASN 189.A N PHE 186.A O no hydrogen 2.916 N/A ASN 189.A ND2 ASN 134.A OD1 no hydrogen 2.870 N/A LEU 190.A N VAL 211.A O no hydrogen 2.971 N/A SER 192.A N HIS 213.A O no hydrogen 3.237 N/A SER 192.A OG HIS 213.A O no hydrogen 3.447 N/A SER 192.A OG LEU 215.A O no hydrogen 2.664 N/A SER 194.A N SER 191.A O no hydrogen 3.016 N/A ILE 195.A N SER 192.A O no hydrogen 2.747 N/A TYR 196.A N ILE 193.A O no hydrogen 3.320 N/A SER 197.A N ILE 193.A O no hydrogen 2.986 N/A SER 197.A OG ILE 193.A O no hydrogen 2.704 N/A ALA 201.A N TYR 198.A O no hydrogen 3.021 N/A PHE 202.A N TYR 198.A O no hydrogen 3.356 N/A LYS 203.A N LEU 199.A O no hydrogen 2.920 N/A VAL 204.A N PRO 200.A O no hydrogen 3.280 N/A VAL 204.A N ALA 201.A O no hydrogen 3.191 N/A PHE 205.A N ALA 201.A O no hydrogen 2.835 N/A GLY 206.A N PHE 202.A O no hydrogen 2.689 N/A SER 208.A N PHE 205.A O no hydrogen 3.235 N/A ALA 209.A N GLY 206.A O no hydrogen 3.090 N/A LYS 210.A N ILE 187.A O no hydrogen 2.849 N/A VAL 211.A N ILE 187.A O no hydrogen 3.113 N/A VAL 212.A N LEU 107.A O no hydrogen 2.976 N/A HIS 213.A N LEU 190.A O no hydrogen 2.921 N/A HIS 213.A ND1 ASN 189.A OD1 no hydrogen 2.887 N/A PHE 214.A N ASP 105.A O no hydrogen 2.868 N/A LYS 219.A N ASN 222.A OD1 no hydrogen 3.099 N/A LYS 219.A NZ ASP 105.A OD2 no hydrogen 3.014 N/A LYS 219.A NZ PHE 214.A O no hydrogen 3.100 N/A LYS 219.A NZ GLY 216.A O no hydrogen 2.662 N/A ASN 222.A N LYS 219.A O no hydrogen 2.892 N/A TYR 223.A N PRO 220.A O no hydrogen 3.201 N/A TYR 223.A OH ASP 238.A OD1 no hydrogen 2.538 N/A ASP 226.A N SER 231.A O no hydrogen 2.838 N/A LYS 228.A N ASP 226.A OD1 no hydrogen 2.879 N/A THR 229.A OG1 SER 231.A OG no hydrogen 2.943 N/A LYS 230.A N ASP 226.A O no hydrogen 2.780 N/A LYS 230.A NZ ASN 252.A OD1 no hydrogen 3.200 N/A SER 231.A N ASP 226.A O no hydrogen 3.417 N/A SER 231.A OG THR 229.A OG1 no hydrogen 2.943 N/A LYS 233.A N THR 224.A O no hydrogen 3.007 N/A ASN 240.A N ASP 238.A OD2 no hydrogen 3.227 N/A ASN 240.A ND2 ASP 238.A OD2 no hydrogen 3.568 N/A MET 241.A N ASP 238.A O no hydrogen 3.245 N/A THR 242.A N PRO 239.A O no hydrogen 3.125 N/A THR 242.A OG1 PRO 239.A O no hydrogen 3.082 N/A GLU 245.A N GLU 245.A OE1 no hydrogen 2.834 N/A ILE 248.A N PRO 244.A O no hydrogen 2.997 N/A LEU 249.A N GLU 245.A O no hydrogen 2.925 N/A TRP 250.A N PHE 246.A O no hydrogen 2.937 N/A TRP 251.A N LEU 247.A O no hydrogen 3.104 N/A TRP 251.A NE1 PRO 220.A O no hydrogen 2.805 N/A ASN 252.A N ILE 248.A O no hydrogen 2.787 N/A ILE 253.A N LEU 249.A O no hydrogen 2.913 N/A PHE 254.A N TRP 250.A O no hydrogen 2.845 N/A THR 255.A N TRP 251.A O no hydrogen 2.813 N/A THR 255.A OG1 TRP 251.A O no hydrogen 2.865 N/A THR 256.A N ASN 252.A O no hydrogen 2.917 N/A THR 256.A OG1 ASN 252.A O no hydrogen 3.103 N/A ASN 257.A N ILE 253.A O no hydrogen 2.862 N/A VAL 258.A N ILE 253.A O no hydrogen 3.250 N/A VAL 258.A N PHE 254.A O no hydrogen 3.193 N/A LEU 259.A N PHE 254.A O no hydrogen 2.813 N/A LEU 261.A N VAL 258.A O no hydrogen 2.845 N/A LEU 262.A N LEU 259.A O no hydrogen 3.008 N/A