Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4u1a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 3.A N GLU 34.A OE1 no hydrogen 3.123 N/A GLU 3.A N GLU 34.A OE2 no hydrogen 2.883 N/A THR 4.A N GLU 34.A OE1 no hydrogen 2.737 N/A THR 4.A OG1 GLU 34.A OE1 no hydrogen 2.544 N/A VAL 6.A N MET 17.A O no hydrogen 2.804 N/A THR 8.A N LYS 15.A O no hydrogen 2.973 N/A SER 9.A OG THR 14.A OG1 no hydrogen 2.796 N/A GLU 10.A N ILE 13.A O no hydrogen 3.137 N/A ILE 13.A N GLU 10.A O no hydrogen 3.072 N/A THR 14.A N ILE 49.A O no hydrogen 2.953 N/A THR 14.A OG1 SER 9.A OG no hydrogen 2.796 N/A THR 14.A OG1 ASP 45.A OD2 no hydrogen 3.176 N/A LYS 15.A N THR 8.A O no hydrogen 2.836 N/A ILE 16.A N VAL 51.A O no hydrogen 2.822 N/A MET 17.A N VAL 6.A O no hydrogen 2.957 N/A PHE 18.A N THR 53.A O no hydrogen 2.887 N/A ASN 19.A N THR 4.A O no hydrogen 2.753 N/A ARG 20.A N ASN 25.A OD1 no hydrogen 2.938 N/A ARG 20.A NH1 ALA 26.A O no hydrogen 2.864 N/A ARG 20.A NH1 ASP 64.A OD2 no hydrogen 3.377 N/A LYS 23.A N ARG 20.A O no hydrogen 2.854 N/A LYS 24.A N PRO 21.A O no hydrogen 3.142 N/A ASN 25.A N ARG 20.A O no hydrogen 2.889 N/A ASN 25.A ND2 ASN 55.A O no hydrogen 2.874 N/A ASN 25.A ND2 TYR 58.A O no hydrogen 3.106 N/A ASN 25.A ND2 TYR 59.A O no hydrogen 3.204 N/A ALA 26.A N LYS 23.A O no hydrogen 3.092 N/A ILE 27.A N GLY 62.A O no hydrogen 3.004 N/A THR 29.A N ASN 67.A OD1 no hydrogen 3.165 N/A MET 31.A N ASN 28.A OD1 no hydrogen 3.009 N/A TYR 32.A N ASN 28.A O no hydrogen 3.073 N/A HIS 33.A N THR 29.A O no hydrogen 3.326 N/A GLU 34.A N GLU 30.A O no hydrogen 2.853 N/A ILE 35.A N MET 31.A O no hydrogen 2.776 N/A MET 36.A N TYR 32.A O no hydrogen 3.059 N/A ARG 37.A N HIS 33.A O no hydrogen 2.967 N/A ALA 38.A N GLU 34.A O no hydrogen 2.734 N/A LEU 39.A N ILE 35.A O no hydrogen 2.971 N/A LYS 40.A N MET 36.A O no hydrogen 2.945 N/A ALA 41.A N ARG 37.A O no hydrogen 2.973 N/A ALA 42.A N ALA 38.A O no hydrogen 2.850 N/A SER 43.A N LEU 39.A O no hydrogen 2.705 N/A SER 43.A OG LYS 40.A O no hydrogen 3.367 N/A LYS 44.A N ALA 41.A O no hydrogen 3.074 N/A ASP 45.A N ALA 41.A O no hydrogen 2.930 N/A SER 47.A N ASP 45.A OD1 no hydrogen 2.699 N/A SER 47.A OG THR 14.A OG1 no hydrogen 3.259 N/A SER 47.A OG ASP 45.A OD1 no hydrogen 2.702 N/A ILE 48.A N GLY 12.A O no hydrogen 2.689 N/A ILE 49.A N GLY 12.A O no hydrogen 3.290 N/A THR 50.A N PRO 100.A O no hydrogen 3.054 N/A VAL 51.A N THR 14.A O no hydrogen 2.923 N/A LEU 52.A N ILE 102.A O no hydrogen 2.904 N/A THR 53.A N ILE 16.A O no hydrogen 2.987 N/A THR 53.A OG1 VAL 104.A O no hydrogen 2.859 N/A THR 53.A OG1 ASN 106.A OD1 no hydrogen 3.437 N/A GLY 54.A N ASN 106.A OD1 no hydrogen 2.870 N/A ASN 55.A N PHE 18.A O no hydrogen 2.934 N/A ASN 55.A ND2 ASN 19.A OD1 no hydrogen 2.404 N/A TYR 59.A N PRO 108.A O no hydrogen 2.896 N/A SER 60.A N PRO 108.A O no hydrogen 3.284 N/A SER 60.A OG ASN 25.A O no hydrogen 2.928 N/A SER 61.A N LYS 24.A O no hydrogen 3.158 N/A GLY 62.A N SER 60.A OG no hydrogen 2.968 N/A ASP 64.A N ILE 27.A O no hydrogen 2.922 N/A THR 66.A OG1 ASP 64.A OD2 no hydrogen 3.065 N/A ASN 67.A N ASP 64.A O no hydrogen 3.018 N/A ASN 67.A ND2 ILE 27.A O no hydrogen 3.042 N/A ASN 67.A ND2 ASN 63.A OD1 no hydrogen 2.604 N/A THR 69.A OG1 THR 66.A O no hydrogen 3.467 N/A GLY 75.A N PRO 72.A O no hydrogen 3.185 N/A GLU 78.A N GLY 75.A O no hydrogen 3.174 N/A LYS 79.A N GLY 75.A O no hydrogen 3.249 N/A LYS 79.A NZ ASP 70.A O no hydrogen 3.407 N/A ALA 80.A N VAL 76.A O no hydrogen 3.119 N/A LYS 81.A N GLU 77.A O no hydrogen 3.302 N/A ASN 82.A N GLU 78.A O no hydrogen 2.800 N/A ASN 83.A N LYS 79.A O no hydrogen 2.862 N/A ASN 83.A ND2 ASN 67.A O no hydrogen 3.699 N/A ALA 84.A N ALA 80.A O no hydrogen 2.849 N/A VAL 85.A N LYS 81.A O no hydrogen 3.207 N/A LEU 86.A N ASN 82.A O no hydrogen 3.088 N/A LEU 87.A N ASN 83.A O no hydrogen 2.920 N/A ARG 88.A N ALA 84.A O no hydrogen 3.118 N/A GLU 89.A N VAL 85.A O no hydrogen 3.044 N/A PHE 90.A N LEU 86.A O no hydrogen 2.839 N/A VAL 91.A N LEU 87.A O no hydrogen 2.878 N/A GLY 92.A N ARG 88.A O no hydrogen 3.078 N/A CYS 93.A N GLU 89.A O no hydrogen 3.220 N/A CYS 93.A N PHE 90.A O no hydrogen 3.131 N/A CYS 93.A SG GLU 89.A O no hydrogen 3.919 N/A ILE 95.A N VAL 91.A O no hydrogen 3.070 N/A ASP 96.A N GLY 92.A O no hydrogen 2.879 N/A PHE 97.A N PHE 94.A O no hydrogen 3.352 N/A LYS 99.A NZ ALA 42.A O no hydrogen 2.771 N/A LYS 99.A NZ ASP 45.A O no hydrogen 2.853 N/A LYS 99.A NZ SER 47.A O no hydrogen 3.051 N/A LEU 101.A N ASP 121.A OD2 no hydrogen 2.646 N/A ILE 102.A N THR 50.A O no hydrogen 2.732 N/A ALA 103.A N ALA 122.A O no hydrogen 3.056 N/A VAL 104.A N LEU 52.A O no hydrogen 2.845 N/A VAL 105.A N TYR 124.A O no hydrogen 2.783 N/A ASN 106.A ND2 GLY 56.A O no hydrogen 3.176 N/A ASN 106.A ND2 TYR 58.A O no hydrogen 3.058 N/A ALA 109.A N THR 130.A O no hydrogen 2.765 N/A VAL 110.A N SER 113.A OG no hydrogen 3.192 N/A GLY 111.A N HIS 132.A O no hydrogen 2.825 N/A SER 113.A N VAL 110.A O no hydrogen 3.267 N/A SER 113.A OG SER 60.A O no hydrogen 3.528 N/A SER 113.A OG VAL 110.A O no hydrogen 2.775 N/A VAL 114.A N GLY 111.A O no hydrogen 2.767 N/A THR 115.A N GLY 111.A O no hydrogen 3.092 N/A THR 115.A OG1 ILE 112.A O no hydrogen 3.008 N/A THR 115.A OG1 GLU 143.A OE1 no hydrogen 3.039 N/A LEU 116.A N ILE 112.A O no hydrogen 3.107 N/A LEU 117.A N VAL 114.A O no hydrogen 2.882 N/A GLY 118.A N THR 115.A O no hydrogen 3.237 N/A LEU 119.A N LEU 116.A O no hydrogen 2.766 N/A PHE 120.A N LEU 117.A O no hydrogen 3.181 N/A ASP 121.A N LEU 101.A O no hydrogen 2.816 N/A ALA 122.A N LEU 101.A O no hydrogen 3.429 N/A VAL 123.A N THR 181.A OG1 no hydrogen 2.784 N/A TYR 124.A N ALA 103.A O no hydrogen 2.903 N/A ALA 125.A N GLU 182.A O no hydrogen 2.990 N/A SER 126.A N VAL 105.A O no hydrogen 3.035 N/A SER 126.A OG ASP 186.A OD1 no hydrogen 2.884 N/A ASP 127.A N PHE 184.A O no hydrogen 2.824 N/A ARG 128.A N SER 126.A OG no hydrogen 3.055 N/A ARG 128.A NH1 ASP 57.A O no hydrogen 2.935 N/A ARG 128.A NH2 ASP 57.A O no hydrogen 3.373 N/A ALA 129.A N SER 126.A O no hydrogen 2.768 N/A PHE 131.A N LEU 169.A O no hydrogen 2.897 N/A HIS 132.A N ALA 109.A O no hydrogen 3.145 N/A THR 133.A OG1 MET 162.A O no hydrogen 3.089 N/A SER 136.A OG ILE 164.A O no hydrogen 2.566 N/A LEU 138.A N PHE 135.A O no hydrogen 2.892 N/A GLY 139.A N SER 136.A O no hydrogen 3.077 N/A GLN 140.A N PHE 135.A O no hydrogen 3.128 N/A CYS 145.A N GLU 230.A OE1 no hydrogen 2.730 N/A CYS 145.A SG LEU 223.A O no hydrogen 3.435 N/A SER 146.A N GLU 143.A O no hydrogen 3.080 N/A SER 146.A OG GLU 143.A O no hydrogen 2.639 N/A SER 147.A N GLU 230.A OE2 no hydrogen 2.950 N/A SER 147.A OG GLU 230.A OE2 no hydrogen 2.608 N/A TYR 148.A N CYS 145.A O no hydrogen 2.911 N/A TYR 148.A OH GLU 219.A OE2 no hydrogen 2.876 N/A THR 149.A N CYS 145.A O no hydrogen 2.956 N/A THR 149.A OG1 CYS 145.A O no hydrogen 3.170 N/A PHE 150.A N SER 146.A O no hydrogen 3.155 N/A ILE 153.A N THR 149.A O no hydrogen 2.827 N/A MET 154.A N PHE 150.A O no hydrogen 2.788 N/A SER 155.A N PRO 151.A O no hydrogen 2.885 N/A SER 155.A OG MET 154.A O no hydrogen 2.710 N/A LYS 158.A N SER 155.A O no hydrogen 3.015 N/A LYS 158.A N SER 155.A OG no hydrogen 3.328 N/A ALA 159.A N SER 155.A O no hydrogen 2.971 N/A THR 160.A N PRO 156.A O no hydrogen 3.036 N/A THR 160.A OG1 PRO 156.A O no hydrogen 3.102 N/A MET 162.A N ALA 159.A O no hydrogen 3.207 N/A LEU 163.A N ALA 159.A O no hydrogen 2.881 N/A ILE 164.A N THR 160.A O no hydrogen 3.020 N/A PHE 165.A N THR 160.A O no hydrogen 3.142 N/A LYS 167.A N GLU 161.A O no hydrogen 2.871 N/A LEU 169.A N PHE 131.A O no hydrogen 2.785 N/A THR 170.A N GLU 173.A OE1 no hydrogen 2.718 N/A THR 170.A OG1 GLU 173.A OE1 no hydrogen 3.235 N/A GLU 173.A N THR 170.A OG1 no hydrogen 3.212 N/A ALA 174.A N THR 170.A O no hydrogen 2.829 N/A CYS 175.A N ALA 171.A O no hydrogen 2.835 N/A CYS 175.A SG VAL 180.A O no hydrogen 3.745 N/A ALA 176.A N GLY 172.A O no hydrogen 2.939 N/A GLN 177.A N GLU 173.A O no hydrogen 2.712 N/A GLY 178.A N CYS 175.A O no hydrogen 3.249 N/A LEU 179.A N ALA 174.A O no hydrogen 2.986 N/A VAL 180.A N ALA 174.A O no hydrogen 3.308 N/A THR 181.A N VAL 123.A O no hydrogen 2.708 N/A THR 181.A OG1 VAL 123.A O no hydrogen 3.401 N/A PHE 184.A N ALA 125.A O no hydrogen 2.856 N/A THR 188.A OG1 GLU 192.A OE1 no hydrogen 3.013 N/A PHE 189.A N ASP 186.A O no hydrogen 3.088 N/A GLU 192.A N THR 188.A O no hydrogen 3.005 N/A VAL 193.A N PHE 189.A O no hydrogen 3.122 N/A TRP 194.A N GLN 190.A O no hydrogen 3.147 N/A THR 195.A N LYS 191.A O no hydrogen 3.066 N/A THR 195.A OG1 LYS 191.A O no hydrogen 2.776 N/A ARG 196.A N GLU 192.A O no hydrogen 3.166 N/A ARG 196.A NH1 GLU 182.A OE1 no hydrogen 2.846 N/A ARG 196.A NH2 GLU 182.A OE1 no hydrogen 2.992 N/A LEU 197.A N VAL 193.A O no hydrogen 2.820 N/A LYS 198.A N TRP 194.A O no hydrogen 2.877 N/A ALA 199.A N THR 195.A O no hydrogen 3.192 N/A PHE 200.A N ARG 196.A O no hydrogen 3.075 N/A ALA 201.A N LEU 197.A O no hydrogen 3.006 N/A LYS 202.A N ALA 199.A O no hydrogen 2.869 N/A LEU 203.A N PHE 200.A O no hydrogen 2.967 N/A LEU 208.A N PRO 204.A O no hydrogen 3.262 N/A ARG 209.A N PRO 205.A O no hydrogen 3.156 N/A ARG 209.A NH2 ASN 206.A OD1 no hydrogen 2.901 N/A ILE 210.A N ASN 206.A O no hydrogen 2.704 N/A SER 211.A N ALA 207.A O no hydrogen 2.807 N/A SER 211.A OG ALA 207.A O no hydrogen 2.857 N/A LYS 212.A N LEU 208.A O no hydrogen 3.080 N/A LYS 212.A NZ PHE 97.A O no hydrogen 3.314 N/A LYS 212.A NZ LYS 99.A O no hydrogen 2.737 N/A LYS 212.A NZ ASP 121.A OD2 no hydrogen 2.563 N/A GLU 213.A N ARG 209.A O no hydrogen 3.045 N/A VAL 214.A N ILE 210.A O no hydrogen 2.926 N/A ILE 215.A N SER 211.A O no hydrogen 3.086 N/A ARG 216.A N LYS 212.A O no hydrogen 2.810 N/A ARG 216.A N GLU 213.A O no hydrogen 3.226 N/A ARG 216.A NH1 PHE 120.A O no hydrogen 3.408 N/A LYS 217.A N GLU 213.A O no hydrogen 2.871 N/A GLU 219.A N ARG 216.A O no hydrogen 3.296 N/A ARG 220.A N LYS 217.A O no hydrogen 3.102 N/A ARG 220.A NE ILE 95.A O no hydrogen 2.966 N/A ARG 220.A NH2 GLU 213.A OE1 no hydrogen 3.265 N/A LEU 223.A N GLU 219.A O no hydrogen 3.240 N/A HIS 224.A N ARG 220.A O no hydrogen 2.806 N/A HIS 224.A NE2 ASP 96.A OD1 no hydrogen 2.922 N/A ALA 225.A N GLU 221.A O no hydrogen 3.069 N/A VAL 226.A N LYS 222.A O no hydrogen 2.824 N/A ASN 227.A N LEU 223.A O no hydrogen 2.768 N/A ASN 227.A ND2 ARG 88.A O no hydrogen 2.727 N/A ALA 228.A N HIS 224.A O no hydrogen 2.918 N/A GLU 229.A N ALA 225.A O no hydrogen 3.020 N/A GLU 230.A N VAL 226.A O no hydrogen 2.886 N/A CYS 231.A N ASN 227.A O no hydrogen 3.021 N/A CYS 231.A SG ASN 227.A O no hydrogen 3.452 N/A CYS 231.A SG ASN 227.A OD1 no hydrogen 3.879 N/A ASN 232.A N ALA 228.A O no hydrogen 3.145 N/A VAL 233.A N GLU 229.A O no hydrogen 3.178 N/A LEU 234.A N GLU 230.A O no hydrogen 3.050 N/A GLN 235.A N CYS 231.A O no hydrogen 2.852 N/A GLY 236.A N ASN 232.A O no hydrogen 3.088 N/A ARG 237.A N VAL 233.A O no hydrogen 3.127 N/A ARG 237.A NE GLY 139.A O no hydrogen 3.015 N/A ARG 237.A NH2 GLY 139.A O no hydrogen 3.396 N/A TRP 238.A N LEU 234.A O no hydrogen 3.092 N/A TRP 238.A N GLN 235.A O no hydrogen 3.225 N/A LEU 239.A N GLY 236.A O no hydrogen 3.178 N/A SER 240.A OG ARG 237.A O no hydrogen 2.964 N/A