Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4u2k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 5.A N GLU 77.A OE1 no hydrogen 2.877 N/A HIS 5.A N GLU 77.A OE2 no hydrogen 3.393 N/A HIS 5.A ND1 GLU 77.A OE2 no hydrogen 2.935 N/A LEU 6.A N GLU 77.A OE1 no hydrogen 3.056 N/A THR 9.A OG1 ASP 12.A OD1 no hydrogen 2.265 N/A ASP 12.A N THR 9.A OG1 no hydrogen 3.167 N/A LEU 13.A N GLU 10.A O no hydrogen 2.993 N/A ASN 14.A N ALA 11.A O no hydrogen 2.985 N/A ALA 16.A N LEU 13.A O no hydrogen 3.001 N/A ALA 19.A N THR 85.A O no hydrogen 2.763 N/A ILE 20.A N VAL 60.A O no hydrogen 2.915 N/A ILE 21.A N LEU 87.A O no hydrogen 2.956 N/A ALA 26.A N ASP 24.A OD1 no hydrogen 2.810 N/A ARG 27.A N ASP 24.A O no hydrogen 2.923 N/A ILE 31.A N ARG 27.A O no hydrogen 3.052 N/A ALA 32.A N VAL 28.A O no hydrogen 2.947 N/A GLU 33.A N GLN 29.A O no hydrogen 2.930 N/A LEU 34.A N ILE 31.A O no hydrogen 3.148 N/A MET 35.A N ALA 32.A O no hydrogen 2.964 N/A ASP 36.A N GLU 53.A O no hydrogen 2.917 N/A ASN 37.A ND2 GLU 53.A OE1 no hydrogen 2.911 N/A VAL 39.A N ARG 51.A O no hydrogen 2.956 N/A LEU 41.A N VAL 49.A O no hydrogen 2.920 N/A ALA 42.A N VAL 49.A O no hydrogen 3.314 N/A SER 43.A OG THR 48.A OG1 no hydrogen 2.922 N/A HIS 44.A N TYR 47.A O no hydrogen 2.966 N/A ARG 45.A NH1 GLU 46.A OE1 no hydrogen 3.268 N/A GLU 46.A N GLU 46.A OE1 no hydrogen 3.059 N/A TYR 47.A N HIS 44.A O no hydrogen 2.937 N/A TYR 47.A OH SER 70.A O no hydrogen 2.656 N/A TYR 47.A OH SER 70.A OG no hydrogen 3.054 N/A THR 48.A N SER 63.A OG no hydrogen 2.947 N/A THR 48.A OG1 SER 43.A OG no hydrogen 2.922 N/A VAL 49.A N ALA 42.A O no hydrogen 2.826 N/A TYR 50.A N VAL 61.A O no hydrogen 2.803 N/A ARG 51.A N VAL 39.A O no hydrogen 2.933 N/A ARG 51.A NH1 ASP 12.A O no hydrogen 2.837 N/A ALA 52.A N VAL 59.A O no hydrogen 2.991 N/A GLU 53.A N ASP 36.A O no hydrogen 2.712 N/A LEU 54.A N GLN 57.A O no hydrogen 2.820 N/A GLN 57.A N LEU 54.A O no hydrogen 3.337 N/A SER 58.A OG ASN 14.A O no hydrogen 2.552 N/A VAL 59.A N ALA 52.A O no hydrogen 2.830 N/A VAL 60.A N LEU 18.A O no hydrogen 3.161 N/A VAL 61.A N TYR 50.A O no hydrogen 2.867 N/A CYS 62.A N ILE 20.A O no hydrogen 3.094 N/A CYS 62.A SG SER 63.A O no hydrogen 3.407 N/A SER 63.A N THR 48.A O no hydrogen 3.182 N/A SER 63.A OG GLU 46.A O no hydrogen 2.323 N/A THR 64.A N PRO 22.A O no hydrogen 2.920 N/A THR 64.A OG1 PRO 22.A O no hydrogen 3.404 N/A THR 64.A OG1 GLY 65.A O no hydrogen 2.915 N/A GLY 65.A N GLY 23.A O no hydrogen 3.085 N/A GLY 67.A N GLU 195.A OE2 no hydrogen 2.989 N/A SER 70.A OG GLU 46.A OE2 no hydrogen 3.062 N/A SER 70.A OG TYR 47.A OH no hydrogen 3.054 N/A SER 70.A OG THR 64.A O no hydrogen 2.192 N/A THR 71.A N GLY 67.A O no hydrogen 3.252 N/A THR 71.A OG1 GLY 67.A O no hydrogen 2.935 N/A SER 72.A N GLY 68.A O no hydrogen 2.700 N/A SER 72.A OG PRO 69.A O no hydrogen 2.941 N/A ILE 73.A N PRO 69.A O no hydrogen 3.237 N/A ALA 74.A N SER 70.A O no hydrogen 3.182 N/A VAL 75.A N THR 71.A O no hydrogen 3.090 N/A GLU 76.A N SER 72.A O no hydrogen 3.030 N/A GLU 77.A N ILE 73.A O no hydrogen 3.059 N/A LEU 78.A N ALA 74.A O no hydrogen 2.857 N/A ALA 79.A N VAL 75.A O no hydrogen 2.821 N/A GLN 80.A N GLU 76.A O no hydrogen 2.926 N/A GLN 80.A NE2 GLU 76.A OE2 no hydrogen 3.238 N/A LEU 81.A N GLU 77.A O no hydrogen 3.015 N/A LEU 81.A N LEU 78.A O no hydrogen 2.939 N/A GLY 82.A N ALA 79.A O no hydrogen 3.010 N/A VAL 83.A N LEU 78.A O no hydrogen 2.929 N/A ARG 84.A N THR 17.A O no hydrogen 3.027 N/A ARG 84.A NH1 ALA 79.A O no hydrogen 2.813 N/A ARG 84.A NH1 VAL 83.A O no hydrogen 2.581 N/A THR 85.A N THR 17.A O no hydrogen 3.242 N/A PHE 86.A N LYS 209.A O no hydrogen 2.798 N/A LEU 87.A N ALA 19.A O no hydrogen 3.005 N/A ARG 88.A N GLY 211.A O no hydrogen 2.784 N/A ARG 88.A NH1 ILE 21.A O no hydrogen 3.049 N/A ARG 88.A NH1 THR 64.A OG1 no hydrogen 2.789 N/A ARG 88.A NH2 GLU 195.A OE1 no hydrogen 2.746 N/A GLY 90.A N VAL 213.A O no hydrogen 3.239 N/A THR 91.A OG1 GLY 215.A O no hydrogen 3.273 N/A THR 92.A N GLY 215.A O no hydrogen 2.800 N/A THR 92.A OG1 PHE 192.A O no hydrogen 3.124 N/A ALA 94.A N ILE 218.A O no hydrogen 2.958 N/A ILE 95.A N LEU 190.A O no hydrogen 3.133 N/A GLN 96.A NE2 GLN 185.A O no hydrogen 2.821 N/A GLN 96.A NE2 VAL 189.A O no hydrogen 2.953 N/A VAL 99.A N GLN 96.A O no hydrogen 2.784 N/A ASN 100.A N ASP 103.A OD2 no hydrogen 2.688 N/A GLY 102.A N VAL 216.A O no hydrogen 2.519 N/A ASP 103.A N ASN 100.A O no hydrogen 3.131 N/A MET 104.A N THR 147.A O no hydrogen 2.974 N/A ILE 105.A N ALA 214.A O no hydrogen 2.826 N/A VAL 106.A N HIS 149.A O no hydrogen 2.840 N/A THR 107.A N CYS 212.A O no hydrogen 3.138 N/A THR 107.A OG1 THR 153.A OG1 no hydrogen 2.927 N/A THR 108.A N GLY 151.A O no hydrogen 2.885 N/A SER 110.A N ALA 127.A O no hydrogen 2.701 N/A SER 110.A OG SER 196.A OG no hydrogen 2.567 N/A VAL 111.A N THR 153.A O no hydrogen 2.828 N/A ARG 112.A NE SER 117.A OG no hydrogen 2.843 N/A ARG 112.A NH1 PRO 122.A O no hydrogen 2.882 N/A ARG 112.A NH1 PHE 125.A O no hydrogen 2.738 N/A ARG 112.A NH2 SER 117.A OG no hydrogen 3.187 N/A ARG 112.A NH2 ALA 121.A O no hydrogen 2.746 N/A ARG 112.A NH2 PRO 122.A O no hydrogen 3.502 N/A LEU 113.A N VAL 111.A O no hydrogen 3.048 N/A GLY 115.A N ASP 157.A OD2 no hydrogen 3.155 N/A SER 117.A N ASP 114.A OD2 no hydrogen 2.790 N/A SER 117.A OG ASP 114.A OD1 no hydrogen 2.492 N/A SER 117.A OG ASP 114.A OD2 no hydrogen 2.977 N/A LEU 118.A N GLY 115.A O no hydrogen 3.216 N/A HIS 119.A N ALA 116.A O no hydrogen 2.921 N/A PHE 120.A N SER 117.A O no hydrogen 2.738 N/A ALA 121.A N SER 117.A O no hydrogen 3.083 N/A GLU 124.A N GLU 124.A OE1 no hydrogen 2.659 N/A PHE 125.A N PRO 122.A O no hydrogen 3.088 N/A ASP 130.A N ALA 210.A O no hydrogen 2.899 N/A VAL 133.A N ASP 130.A OD2 no hydrogen 2.962 N/A ALA 134.A N ASP 130.A O no hydrogen 3.051 N/A THR 135.A N PHE 131.A O no hydrogen 2.930 N/A THR 135.A OG1 PHE 131.A O no hydrogen 2.974 N/A ALA 136.A N ASP 132.A O no hydrogen 2.872 N/A MET 137.A N VAL 133.A O no hydrogen 2.883 N/A LYS 138.A N ALA 134.A O no hydrogen 2.838 N/A ALA 139.A N THR 135.A O no hydrogen 2.969 N/A ALA 140.A N ALA 136.A O no hydrogen 2.914 N/A ALA 141.A N MET 137.A O no hydrogen 3.028 N/A GLN 142.A N LYS 138.A O no hydrogen 2.752 N/A GLU 143.A N ALA 139.A O no hydrogen 2.874 N/A SER 144.A N ALA 141.A O no hydrogen 3.070 N/A SER 144.A OG ALA 141.A O no hydrogen 2.395 N/A GLY 145.A N GLN 142.A O no hydrogen 3.252 N/A ALA 146.A N SER 144.A OG no hydrogen 3.167 N/A HIS 149.A N MET 104.A O no hydrogen 2.932 N/A HIS 149.A NE2 ASP 103.A OD2 no hydrogen 3.334 N/A GLY 151.A N VAL 106.A O no hydrogen 3.255 N/A THR 153.A N GLY 109.A O no hydrogen 2.858 N/A THR 153.A OG1 THR 107.A OG1 no hydrogen 2.927 N/A THR 153.A OG1 ASN 191.A OD1 no hydrogen 2.595 N/A ALA 154.A N ASN 191.A O no hydrogen 2.908 N/A SER 155.A N VAL 111.A O no hydrogen 3.046 N/A SER 155.A OG GLU 193.A OE1 no hydrogen 2.726 N/A SER 155.A OG SER 196.A OG no hydrogen 3.280 N/A SER 156.A N GLU 193.A O no hydrogen 2.807 N/A SER 156.A OG THR 158.A O no hydrogen 2.400 N/A ASP 157.A N LEU 113.A O no hydrogen 3.085 N/A THR 158.A N SER 156.A OG no hydrogen 2.975 N/A GLY 162.A N THR 158.A OG1 no hydrogen 2.985 N/A GLN 163.A N TYR 160.A O no hydrogen 3.115 N/A GLU 164.A N PRO 161.A O no hydrogen 2.652 N/A ARG 165.A N TYR 160.A O no hydrogen 3.001 N/A ARG 165.A NH1 PHE 159.A O no hydrogen 2.613 N/A ARG 165.A NH1 GLN 163.A OE1 no hydrogen 3.174 N/A TYR 166.A OH GLU 164.A OE2 no hydrogen 2.214 N/A THR 168.A N TYR 166.A O no hydrogen 2.827 N/A THR 168.A OG1 TYR 166.A O no hydrogen 3.415 N/A GLY 171.A N THR 168.A OG1 no hydrogen 2.941 N/A PHE 177.A N VAL 174.A O no hydrogen 2.856 N/A GLN 178.A N ARG 175.A O no hydrogen 3.120 N/A GLN 178.A NE2 VAL 173.A O no hydrogen 2.474 N/A GLY 179.A N GLU 164.A OE2 no hydrogen 2.896 N/A SER 180.A N PHE 177.A O no hydrogen 3.474 N/A SER 180.A OG PHE 177.A O no hydrogen 2.906 N/A MET 181.A N GLU 164.A OE1 no hydrogen 3.159 N/A GLU 183.A N GLY 179.A O no hydrogen 3.413 N/A TRP 184.A N SER 180.A O no hydrogen 2.866 N/A GLN 185.A N MET 181.A O no hydrogen 2.760 N/A GLN 185.A NE2 ILE 95.A O no hydrogen 3.035 N/A ASP 186.A N LYS 182.A O no hydrogen 2.729 N/A MET 187.A N GLU 183.A O no hydrogen 2.957 N/A GLY 188.A N GLN 185.A O no hydrogen 3.266 N/A VAL 189.A N TRP 184.A O no hydrogen 3.013 N/A LEU 190.A N VAL 152.A O no hydrogen 2.632 N/A ASN 191.A ND2 THR 92.A OG1 no hydrogen 2.972 N/A GLU 193.A N ALA 154.A O no hydrogen 2.973 N/A GLU 195.A N GLU 193.A OE2 no hydrogen 2.650 N/A SER 196.A N GLU 193.A OE2 no hydrogen 2.825 N/A SER 196.A OG SER 110.A OG no hydrogen 2.567 N/A SER 196.A OG SER 155.A OG no hydrogen 3.280 N/A SER 196.A OG GLU 193.A OE1 no hydrogen 2.551 N/A ALA 197.A N SER 155.A OG no hydrogen 2.877 N/A THR 198.A OG1 ASP 114.A OD2 no hydrogen 2.869 N/A LEU 199.A N GLU 195.A O no hydrogen 3.114 N/A LEU 200.A N SER 196.A O no hydrogen 2.731 N/A THR 201.A N ALA 197.A O no hydrogen 3.129 N/A THR 201.A OG1 ALA 197.A O no hydrogen 2.686 N/A MET 202.A N THR 198.A O no hydrogen 3.041 N/A CYS 203.A N LEU 199.A O no hydrogen 3.005 N/A ALA 204.A N LEU 200.A O no hydrogen 2.716 N/A SER 205.A N THR 201.A O no hydrogen 3.011 N/A SER 205.A OG THR 201.A O no hydrogen 2.653 N/A SER 205.A OG MET 202.A O no hydrogen 3.210 N/A SER 206.A N CYS 203.A O no hydrogen 3.031 N/A SER 206.A OG MET 202.A O no hydrogen 2.767 N/A LEU 208.A N CYS 203.A O no hydrogen 3.383 N/A LYS 209.A N ARG 84.A O no hydrogen 2.735 N/A LYS 209.A NZ ASP 130.A OD1 no hydrogen 2.595 N/A GLY 211.A N PHE 86.A O no hydrogen 2.991 N/A VAL 213.A N ARG 88.A O no hydrogen 2.911 N/A ALA 214.A N ILE 105.A O no hydrogen 3.010 N/A GLY 215.A N GLY 90.A O no hydrogen 3.055 N/A VAL 216.A N ASP 103.A O no hydrogen 2.828 N/A ILE 217.A N THR 92.A O no hydrogen 2.970 N/A ASN 219.A ND2 GLN 96.A O no hydrogen 2.896 N/A ASN 219.A ND2 VAL 99.A O no hydrogen 3.088 N/A ARG 220.A N ALA 94.A O no hydrogen 3.101 N/A ARG 220.A NH1.A GLN 163.A O no hydrogen 3.531 N/A ARG 220.A NH2.B GLN 163.A OE1 no hydrogen 2.843 N/A THR 221.A N ASN 219.A OD1 no hydrogen 2.897 N/A THR 221.A OG1 ASN 219.A OD1 no hydrogen 3.046 N/A GLN 222.A N ASN 219.A O no hydrogen 2.770 N/A GLN 222.A NE2 PRO 97.A O no hydrogen 3.489 N/A GLU 227.A N ALA 223.A O no hydrogen 2.487 N/A THR 228.A N THR 224.A O no hydrogen 2.657 N/A THR 228.A OG1 THR 224.A O no hydrogen 2.477 N/A GLU 229.A N LEU 225.A O no hydrogen 3.376 N/A ALA 230.A N LYS 226.A O no hydrogen 3.263 N/A ARG 231.A N GLU 227.A O no hydrogen 3.071 N/A SER 232.A N THR 228.A O no hydrogen 2.931 N/A SER 232.A OG GLY 90.A O no hydrogen 3.451 N/A SER 232.A OG THR 228.A O no hydrogen 3.202 N/A ILE 233.A N GLU 229.A O no hydrogen 3.187 N/A LYS 234.A N ALA 230.A O no hydrogen 2.977 N/A VAL 235.A N ARG 231.A O no hydrogen 2.860 N/A VAL 236.A N SER 232.A O no hydrogen 3.168 N/A VAL 237.A N ILE 233.A O no hydrogen 3.097 N/A GLU 238.A N LYS 234.A O no hydrogen 3.089 N/A ALA 239.A N VAL 235.A O no hydrogen 2.906 N/A ALA 240.A N VAL 236.A O no hydrogen 2.705 N/A ARG 241.A N VAL 237.A O no hydrogen 2.865 N/A ARG 241.A NE GLU 238.A OE2 no hydrogen 2.792 N/A ARG 241.A NH1 GLU 238.A OE2 no hydrogen 3.276 N/A ARG 241.A NH2 ASP 55.A OD2 no hydrogen 2.630 N/A LYS 242.A N GLU 238.A O no hydrogen 3.009 N/A LYS 242.A NZ GLU 143.A OE1 no hydrogen 2.959 N/A LYS 242.A NZ GLU 143.A OE2 no hydrogen 2.965 N/A MET 243.A N ALA 239.A O no hydrogen 2.954 N/A LEU 244.A N ARG 241.A O no hydrogen 2.967 N/A LYS 245.A N ARG 241.A O no hydrogen 3.209 N/A