Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4uub_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 5.A N ASP 1.A O no hydrogen 3.323 N/A ARG 6.A N LEU 2.A O no hydrogen 2.833 N/A ARG 6.A NE ALA 260.A O no hydrogen 3.136 N/A ARG 6.A NH2 ALA 260.A O no hydrogen 3.196 N/A ARG 6.A NH2 GLU 262.A O no hydrogen 2.531 N/A GLU 7.A N THR 3.A O no hydrogen 2.918 N/A HIS 8.A N ALA 4.A O no hydrogen 3.468 N/A PHE 9.A N PHE 5.A O no hydrogen 2.930 N/A ALA 10.A N ARG 6.A O no hydrogen 2.747 N/A ALA 12.A N HIS 8.A O no hydrogen 2.861 N/A LYS 13.A N ASP 205.A OD1 no hydrogen 3.224 N/A LYS 13.A N ASP 205.A OD2 no hydrogen 3.030 N/A HIS 14.A N ASP 205.A OD1 no hydrogen 3.037 N/A HIS 14.A ND1 SER 96.A OG no hydrogen 3.076 N/A ILE 15.A N SER 96.A O no hydrogen 3.032 N/A ALA 16.A N LEU 206.A O no hydrogen 3.154 N/A ILE 17.A N VAL 98.A O no hydrogen 2.843 N/A ILE 18.A N LEU 208.A O no hydrogen 2.711 N/A THR 19.A N ILE 100.A O no hydrogen 2.888 N/A THR 19.A OG1 THR 101.A OG1 no hydrogen 2.639 N/A THR 19.A OG1 HIS 108.A NE2 no hydrogen 2.871 N/A GLY 20.A N VAL 210.A O no hydrogen 2.813 N/A GLY 22.A N GLY 211.A O no hydrogen 2.860 N/A VAL 23.A N GLY 20.A O no hydrogen 3.197 N/A SER 24.A OG ASP 105.A OD2 no hydrogen 2.630 N/A ALA 25.A N ALA 21.A O no hydrogen 2.819 N/A GLU 26.A N GLY 22.A O no hydrogen 3.176 N/A SER 27.A N SER 24.A O no hydrogen 3.133 N/A SER 27.A OG MET 75.A O no hydrogen 2.747 N/A GLY 28.A N ALA 25.A O no hydrogen 2.769 N/A VAL 29.A N SER 24.A O no hydrogen 3.013 N/A GLY 37.A N GLY 34.A O no hydrogen 3.079 N/A TRP 39.A N TRP 42.A O no hydrogen 2.631 N/A ARG 40.A N PRO 152.A O no hydrogen 3.159 N/A ARG 40.A NE ALA 151.A O no hydrogen 2.710 N/A ARG 40.A NH1 GLU 62.A OE1 no hydrogen 3.338 N/A ARG 40.A NH1 GLU 62.A OE2 no hydrogen 3.461 N/A ARG 40.A NH2 GLU 62.A OE1 no hydrogen 2.669 N/A ARG 40.A NH2 ALA 151.A O no hydrogen 3.222 N/A TRP 42.A N TRP 39.A O no hydrogen 2.900 N/A GLN 43.A N ASP 46.A OD2 no hydrogen 2.523 N/A ALA 44.A N PHE 32.A O no hydrogen 3.257 N/A ASP 46.A N GLN 43.A O no hydrogen 2.936 N/A LEU 47.A N ALA 44.A O no hydrogen 2.819 N/A ALA 48.A N ALA 44.A O no hydrogen 2.806 N/A THR 49.A OG1 GLU 51.A OE1 no hydrogen 3.560 N/A ALA 52.A N THR 49.A OG1 no hydrogen 2.920 N/A PHE 53.A N THR 49.A O no hydrogen 3.303 N/A SER 54.A N PRO 50.A O no hydrogen 2.936 N/A ARG 55.A N GLU 51.A O no hydrogen 2.747 N/A ASP 56.A N ALA 52.A O no hydrogen 2.612 N/A LEU 59.A N ASP 56.A OD1 no hydrogen 3.242 N/A VAL 60.A N ASP 56.A O no hydrogen 3.089 N/A TRP 61.A N PRO 57.A O no hydrogen 3.000 N/A TRP 61.A NE1 LEU 178.A O no hydrogen 2.978 N/A GLU 62.A N SER 58.A O no hydrogen 2.867 N/A PHE 63.A N LEU 59.A O no hydrogen 3.074 N/A TYR 64.A N VAL 60.A O no hydrogen 2.919 N/A HIS 65.A N TRP 61.A O no hydrogen 2.699 N/A TYR 66.A N GLU 62.A O no hydrogen 3.052 N/A ARG 67.A N PHE 63.A O no hydrogen 3.219 N/A ARG 68.A N TYR 64.A O no hydrogen 2.877 N/A ARG 68.A NH1 LEU 123.A O no hydrogen 2.957 N/A ARG 68.A NH1 ASN 137.A O no hydrogen 2.954 N/A ARG 68.A NH2 ASN 137.A O no hydrogen 3.533 N/A ARG 68.A NH2 ASN 137.A OD1 no hydrogen 2.801 N/A ARG 68.A NH2 LYS 139.A O no hydrogen 2.951 N/A GLU 69.A N HIS 65.A O no hydrogen 2.801 N/A VAL 70.A N TYR 66.A O no hydrogen 2.852 N/A MET 71.A N ARG 68.A O no hydrogen 3.186 N/A ARG 72.A N GLU 69.A O no hydrogen 3.096 N/A SER 73.A N VAL 70.A O no hydrogen 3.485 N/A SER 73.A OG VAL 70.A O no hydrogen 3.507 N/A LYS 74.A N MET 71.A O no hydrogen 3.327 N/A LYS 74.A NZ GLY 28.A O no hydrogen 3.199 N/A ASN 77.A N HIS 80.A ND1 no hydrogen 3.140 N/A ASN 77.A ND2 VAL 23.A O no hydrogen 2.852 N/A ASN 77.A ND2 SER 27.A OG no hydrogen 2.806 N/A ALA 79.A N ASN 77.A OD1 no hydrogen 2.792 N/A HIS 80.A N ASN 77.A OD1 no hydrogen 3.326 N/A LEU 81.A N ASN 77.A O no hydrogen 3.241 N/A ALA 82.A N PRO 78.A O no hydrogen 2.752 N/A ILE 83.A N ALA 79.A O no hydrogen 3.055 N/A ALA 84.A N HIS 80.A O no hydrogen 3.044 N/A GLU 85.A N LEU 81.A O no hydrogen 2.898 N/A CYS 86.A N ALA 82.A O no hydrogen 3.158 N/A GLU 87.A N ILE 83.A O no hydrogen 2.915 N/A ALA 88.A N ALA 84.A O no hydrogen 3.123 N/A ARG 89.A N GLU 85.A O no hydrogen 2.873 N/A ARG 89.A NH2 LEU 261.A O no hydrogen 2.897 N/A LEU 90.A N CYS 86.A O no hydrogen 2.895 N/A GLY 91.A N GLU 87.A O no hydrogen 2.935 N/A GLN 92.A N ALA 88.A O no hydrogen 3.194 N/A GLN 93.A N LEU 90.A O no hydrogen 2.791 N/A GLY 94.A N GLY 91.A O no hydrogen 2.982 N/A ARG 95.A N LEU 90.A O no hydrogen 2.878 N/A ARG 95.A NE ALA 12.A O no hydrogen 2.882 N/A ARG 95.A NH1 GLN 93.A OE1 no hydrogen 2.966 N/A ARG 95.A NH2 ALA 12.A O no hydrogen 2.859 N/A SER 96.A N LYS 13.A O no hydrogen 3.088 N/A SER 96.A OG HIS 14.A ND1 no hydrogen 3.076 N/A VAL 98.A N ILE 15.A O no hydrogen 3.078 N/A ILE 99.A N HIS 115.A O no hydrogen 2.910 N/A ILE 100.A N ILE 17.A O no hydrogen 2.861 N/A THR 101.A N TYR 117.A O no hydrogen 2.902 N/A THR 101.A OG1 THR 19.A O no hydrogen 3.560 N/A THR 101.A OG1 THR 19.A OG1 no hydrogen 2.639 N/A GLN 102.A N THR 19.A O no hydrogen 2.970 N/A GLN 102.A NE2 ASN 103.A OD1 no hydrogen 3.129 N/A ASN 103.A N THR 101.A OG1 no hydrogen 3.034 N/A ASN 103.A ND2 GLY 20.A O no hydrogen 2.902 N/A LEU 107.A N ASP 105.A OD1 no hydrogen 3.020 N/A HIS 108.A NE2 THR 19.A OG1 no hydrogen 2.871 N/A HIS 109.A N GLU 106.A O no hydrogen 2.972 N/A ARG 110.A N GLU 106.A O no hydrogen 3.104 N/A ARG 110.A NH1 MET 71.A O no hydrogen 3.099 N/A ARG 110.A NH1 LYS 74.A O no hydrogen 3.315 N/A ARG 110.A NH2 LYS 74.A O no hydrogen 2.976 N/A ALA 111.A N LEU 107.A O no hydrogen 2.975 N/A ALA 111.A N HIS 108.A O no hydrogen 3.285 N/A GLY 112.A N HIS 109.A O no hydrogen 2.943 N/A SER 113.A N HIS 108.A O no hydrogen 2.921 N/A SER 113.A OG GLU 87.A OE1 no hydrogen 3.159 N/A LYS 114.A N GLU 87.A OE1 no hydrogen 3.173 N/A LYS 114.A N GLU 87.A OE2 no hydrogen 3.137 N/A HIS 115.A N GLU 87.A OE2 no hydrogen 2.872 N/A TYR 117.A N ILE 99.A O no hydrogen 2.628 N/A TYR 117.A OH GLU 200.A OE2 no hydrogen 3.205 N/A ILE 119.A N THR 101.A O no hydrogen 3.195 N/A HIS 120.A ND1 GLN 102.A O no hydrogen 2.964 N/A HIS 120.A NE2 TYR 217.A OH no hydrogen 2.666 N/A GLY 121.A N GLU 118.A O no hydrogen 3.247 N/A SER 122.A N HIS 181.A O no hydrogen 2.900 N/A SER 122.A OG GLU 106.A OE2 no hydrogen 2.834 N/A LEU 123.A N ILE 104.A O no hydrogen 2.855 N/A PHE 124.A N SER 122.A OG no hydrogen 2.903 N/A LYS 125.A N SER 122.A O no hydrogen 3.134 N/A THR 126.A N LYS 135.A O no hydrogen 2.917 N/A THR 126.A OG1 LYS 135.A O no hydrogen 3.510 N/A ARG 127.A N ARG 179.A O no hydrogen 2.709 N/A ARG 127.A NH1 HIS 181.A ND1 no hydrogen 2.879 N/A CYS 128.A N GLU 133.A O no hydrogen 3.112 N/A MET 129.A N LEU 177.A O no hydrogen 2.819 N/A GLY 132.A N CYS 128.A O no hydrogen 2.853 N/A LYS 135.A N THR 126.A O no hydrogen 3.303 N/A ASN 137.A N PHE 124.A O no hydrogen 3.023 N/A HIS 138.A NE2 GLU 106.A OE1 no hydrogen 2.852 N/A LYS 139.A N ASN 137.A OD1 no hydrogen 2.829 N/A LYS 139.A NZ ILE 142.A O no hydrogen 3.478 N/A SER 140.A OG GLU 69.A OE1 no hydrogen 2.571 N/A SER 140.A OG GLU 69.A OE2 no hydrogen 2.954 N/A CYS 143.A SG LEU 165.A O no hydrogen 3.565 N/A LEU 146.A N CYS 143.A O no hydrogen 3.022 N/A ASP 147.A N PRO 144.A O no hydrogen 2.840 N/A LYS 149.A N LEU 146.A O no hydrogen 2.836 N/A ASN 155.A N ASP 153.A OD1 no hydrogen 2.733 N/A THR 156.A N ASP 153.A O no hydrogen 2.881 N/A THR 156.A OG1 ASP 153.A O no hydrogen 3.249 N/A ALA 159.A N GLU 62.A OE2 no hydrogen 2.896 N/A ILE 161.A N SER 58.A OG no hydrogen 3.094 N/A GLU 164.A N GLU 164.A OE1 no hydrogen 2.658 N/A LEU 165.A N PRO 162.A O no hydrogen 2.894 N/A LEU 166.A N VAL 163.A O no hydrogen 3.063 N/A ARG 168.A NE ASN 175.A O no hydrogen 2.932 N/A ARG 168.A NH1 VAL 163.A O no hydrogen 3.270 N/A ARG 168.A NH2 ASN 175.A O no hydrogen 2.723 N/A CYS 169.A N GLY 176.A O no hydrogen 2.702 N/A CYS 174.A N ARG 171.A O no hydrogen 2.653 N/A ASN 175.A N ARG 171.A O no hydrogen 3.383 N/A LEU 178.A N PRO 167.A O no hydrogen 2.942 N/A ARG 179.A N ARG 127.A O no hydrogen 2.866 N/A ARG 179.A NE PRO 180.A O no hydrogen 3.023 N/A ARG 179.A NH1 GLU 187.A OE1 no hydrogen 3.447 N/A ARG 179.A NH1 GLU 187.A OE2 no hydrogen 2.896 N/A ARG 179.A NH2 GLU 187.A OE1 no hydrogen 3.058 N/A HIS 181.A N LYS 125.A O no hydrogen 2.956 N/A VAL 183.A N HIS 120.A O no hydrogen 2.993 N/A TRP 184.A N GLU 187.A OE1 no hydrogen 3.321 N/A PHE 185.A N ALA 48.A O no hydrogen 2.949 N/A GLU 187.A N TRP 184.A O no hydrogen 3.078 N/A ILE 193.A N ASP 190.A OD1 no hydrogen 3.428 N/A LEU 194.A N ASP 190.A O no hydrogen 3.166 N/A THR 195.A N SER 191.A O no hydrogen 2.879 N/A THR 195.A OG1 SER 191.A O no hydrogen 2.608 N/A ALA 196.A N ASP 192.A O no hydrogen 3.132 N/A VAL 197.A N ILE 193.A O no hydrogen 2.858 N/A GLU 198.A N LEU 194.A O no hydrogen 2.828 N/A ARG 199.A N THR 195.A O no hydrogen 3.132 N/A GLU 200.A N ALA 196.A O no hydrogen 2.818 N/A LEU 201.A N VAL 197.A O no hydrogen 2.787 N/A GLU 202.A N GLU 198.A O no hydrogen 2.948 N/A LYS 203.A N ARG 199.A O no hydrogen 3.167 N/A LYS 203.A N GLU 200.A O no hydrogen 3.073 N/A LYS 203.A NZ GLU 200.A OE1 no hydrogen 3.427 N/A CYS 204.A SG LEU 201.A O no hydrogen 3.858 N/A CYS 204.A SG LEU 206.A O no hydrogen 3.643 N/A ASP 205.A N HIS 14.A O no hydrogen 2.843 N/A CYS 207.A N PRO 232.A O no hydrogen 3.048 N/A CYS 207.A SG ALA 16.A O no hydrogen 3.887 N/A LEU 208.A N ALA 16.A O no hydrogen 2.819 N/A VAL 209.A N ALA 234.A O no hydrogen 2.753 N/A VAL 210.A N ILE 18.A O no hydrogen 2.854 N/A GLY 211.A N PHE 236.A O no hydrogen 2.831 N/A SER 214.A N GLU 235.A OE2 no hydrogen 2.731 N/A SER 214.A OG GLU 235.A OE2 no hydrogen 2.519 N/A ILE 215.A N SER 213.A OG no hydrogen 3.220 N/A VAL 216.A N SER 213.A O no hydrogen 3.271 N/A TYR 217.A OH HIS 120.A NE2 no hydrogen 2.666 N/A ALA 220.A N VAL 216.A O no hydrogen 2.941 N/A MET 221.A N PRO 218.A O no hydrogen 3.063 N/A PHE 222.A N ALA 219.A O no hydrogen 3.186 N/A ALA 223.A N ALA 219.A O no hydrogen 3.151 N/A GLN 225.A N PHE 222.A O no hydrogen 2.328 N/A GLN 225.A NE2 GLU 198.A O no hydrogen 3.279 N/A GLN 225.A NE2 GLU 202.A OE1 no hydrogen 2.548 N/A VAL 226.A N PHE 222.A O no hydrogen 3.315 N/A ALA 227.A N ALA 223.A O no hydrogen 2.714 N/A SER 228.A N PRO 224.A O no hydrogen 3.062 N/A SER 228.A OG PRO 224.A O no hydrogen 2.553 N/A SER 228.A OG GLN 225.A O no hydrogen 2.884 N/A ARG 229.A N VAL 226.A O no hydrogen 3.106 N/A ARG 229.A NH2 CYS 204.A O no hydrogen 2.506 N/A GLY 230.A N ALA 227.A O no hydrogen 2.674 N/A VAL 231.A N VAL 226.A O no hydrogen 3.432 N/A ALA 234.A N CYS 207.A O no hydrogen 2.980 N/A GLU 235.A N TYR 247.A O no hydrogen 2.893 N/A PHE 236.A N VAL 209.A O no hydrogen 2.696 N/A ASN 237.A ND2 THR 212.A O no hydrogen 2.899 N/A GLU 239.A N ASN 237.A OD1 no hydrogen 3.074 N/A LYS 246.A NZ VAL 231.A O no hydrogen 2.966 N/A TYR 247.A N VAL 233.A O no hydrogen 2.979 N/A HIS 248.A NE2 ASN 237.A OD1 no hydrogen 2.808 N/A PHE 249.A N GLU 235.A O no hydrogen 2.918 N/A GLY 251.A N ASN 237.A O no hydrogen 2.950 N/A CYS 253.A N GLU 26.A OE2 no hydrogen 2.589 N/A CYS 253.A SG GLU 26.A OE2 no hydrogen 3.459 N/A CYS 253.A SG PHE 236.A O no hydrogen 3.685 N/A GLY 254.A N GLU 26.A OE1 no hydrogen 2.978 N/A SER 255.A N PRO 252.A O no hydrogen 2.915 N/A THR 256.A N PRO 252.A O no hydrogen 2.817 N/A THR 256.A OG1 PRO 252.A O no hydrogen 3.229 N/A LEU 257.A N CYS 253.A O no hydrogen 3.004 N/A LEU 261.A N LEU 257.A O no hydrogen 3.106 N/A LEU 261.A N PRO 258.A O no hydrogen 3.126 N/A