Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5kd7_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A N GLU 103.A OE2 no hydrogen 3.474 N/A HIS 2.A N VAL 102.A O no hydrogen 2.879 N/A HIS 2.A ND1 ASP 28.A OD1 no hydrogen 3.077 N/A HIS 2.A ND1 ASP 28.A OD2 no hydrogen 3.166 N/A SER 3.A N ASP 28.A OD1 no hydrogen 3.033 N/A SER 3.A OG ASP 28.A O no hydrogen 2.867 N/A LEU 4.A N CYS 100.A O no hydrogen 3.024 N/A ARG 5.A N TYR 26.A O no hydrogen 2.948 N/A ARG 5.A NH2 ASP 101.A OD1 no hydrogen 2.958 N/A ARG 5.A NH2 TYR 112.A OH no hydrogen 3.331 N/A TYR 6.A N ALA 98.A O no hydrogen 2.845 N/A PHE 7.A N VAL 24.A O no hydrogen 2.660 N/A VAL 8.A N TRP 96.A O no hydrogen 2.880 N/A THR 9.A N MET 22.A O no hydrogen 2.881 N/A ALA 10.A N LEU 94.A O no hydrogen 2.897 N/A VAL 11.A N ARG 20.A O no hydrogen 2.857 N/A SER 12.A N HIS 92.A O no hydrogen 2.837 N/A SER 12.A OG HIS 92.A O no hydrogen 3.073 N/A ARG 13.A NE GLU 18.A O no hydrogen 2.979 N/A ARG 13.A NH1 ASP 38.A OD2 no hydrogen 2.769 N/A ARG 13.A NH2 GLU 18.A O no hydrogen 3.383 N/A ARG 13.A NH2 ASP 38.A OD1 no hydrogen 2.642 N/A ARG 13.A NH2 ASP 38.A OD2 no hydrogen 3.162 N/A PHE 16.A N ARG 13.A O no hydrogen 2.869 N/A ARG 20.A N VAL 11.A O no hydrogen 2.818 N/A TYR 21.A N SER 37.A OG no hydrogen 2.857 N/A TYR 21.A OH GLU 23.A OE2 no hydrogen 2.545 N/A MET 22.A N THR 9.A O no hydrogen 2.823 N/A GLU 23.A N PHE 35.A O no hydrogen 2.744 N/A VAL 24.A N PHE 7.A O no hydrogen 2.795 N/A GLY 25.A N VAL 33.A O no hydrogen 3.091 N/A TYR 26.A N ARG 5.A O no hydrogen 2.700 N/A VAL 27.A N THR 30.A O no hydrogen 2.967 N/A ASP 28.A N SER 3.A O no hydrogen 2.639 N/A THR 30.A N VAL 27.A O no hydrogen 2.944 N/A THR 30.A OG1 TYR 208.A OH no hydrogen 3.429 N/A PHE 32.A N GLY 25.A O no hydrogen 3.095 N/A ARG 34.A N GLU 45.A O no hydrogen 3.074 N/A PHE 35.A N GLU 23.A O no hydrogen 2.738 N/A SER 37.A N TYR 21.A O no hydrogen 2.887 N/A SER 37.A OG TYR 21.A O no hydrogen 3.268 N/A ASP 38.A N ASP 36.A OD1 no hydrogen 3.080 N/A ALA 39.A N ASP 36.A O no hydrogen 3.266 N/A TYR 44.A N THR 63.A OG1 no hydrogen 2.918 N/A TYR 44.A OH GLU 23.A OE1 no hydrogen 2.711 N/A GLU 45.A N ARG 34.A O no hydrogen 2.893 N/A ARG 47.A N PHE 32.A O no hydrogen 2.601 N/A ARG 49.A NH1 GLU 52.A OE1 no hydrogen 3.319 N/A ARG 49.A NH1 GLU 52.A OE2 no hydrogen 3.557 N/A GLU 52.A N ARG 49.A O no hydrogen 3.332 N/A GLN 53.A N TRP 50.A O no hydrogen 3.438 N/A GLU 54.A N ILE 51.A O no hydrogen 2.902 N/A GLU 57.A N GLU 57.A OE2 no hydrogen 2.417 N/A TYR 58.A N GLY 55.A O no hydrogen 2.919 N/A TYR 58.A OH TYR 170.A OH no hydrogen 2.463 N/A TRP 59.A NE1 GLU 54.A O no hydrogen 3.271 N/A GLU 60.A N PRO 56.A O no hydrogen 2.958 N/A ARG 61.A N GLU 57.A O no hydrogen 2.960 N/A GLU 62.A N TYR 58.A O no hydrogen 2.974 N/A THR 63.A N TRP 59.A O no hydrogen 2.940 N/A THR 63.A OG1 TRP 59.A O no hydrogen 2.832 N/A ARG 64.A N GLU 60.A O no hydrogen 3.087 N/A ARG 65.A N ARG 61.A O no hydrogen 3.028 N/A ARG 65.A NE GLU 62.A OE2 no hydrogen 2.816 N/A ARG 65.A NH1 GLU 23.A OE1 no hydrogen 3.098 N/A ARG 65.A NH2 GLU 23.A OE1 no hydrogen 3.459 N/A ARG 65.A NH2 TYR 44.A OH no hydrogen 2.859 N/A ARG 65.A NH2 GLU 62.A OE1 no hydrogen 2.568 N/A ALA 66.A N GLU 62.A O no hydrogen 2.878 N/A LYS 67.A N THR 63.A O no hydrogen 3.008 N/A GLY 68.A N ARG 64.A O no hydrogen 2.922 N/A ASN 69.A N ARG 65.A O no hydrogen 2.793 N/A ASN 69.A ND2 GLU 23.A OE2 no hydrogen 3.147 N/A GLU 70.A N ALA 66.A O no hydrogen 2.712 N/A GLN 71.A N LYS 67.A O no hydrogen 3.340 N/A SER 72.A N GLY 68.A O no hydrogen 3.305 N/A SER 72.A OG GLY 68.A O no hydrogen 3.322 N/A PHE 73.A N ASN 69.A O no hydrogen 3.044 N/A ARG 74.A N GLU 70.A O no hydrogen 3.023 N/A ARG 74.A NH2 GLU 70.A OE2 no hydrogen 2.931 N/A VAL 75.A N GLN 71.A O no hydrogen 3.255 N/A ASP 76.A N SER 72.A O no hydrogen 2.933 N/A LEU 77.A N PHE 73.A O no hydrogen 2.901 N/A ARG 78.A N ARG 74.A O no hydrogen 3.178 N/A THR 79.A N VAL 75.A O no hydrogen 2.780 N/A THR 79.A OG1 VAL 75.A O no hydrogen 2.952 N/A ALA 80.A N ASP 76.A O no hydrogen 2.758 N/A LEU 81.A N LEU 77.A O no hydrogen 3.269 N/A ARG 82.A N THR 79.A O no hydrogen 2.755 N/A TYR 83.A N THR 79.A O no hydrogen 3.056 N/A TYR 84.A N ALA 80.A O no hydrogen 3.185 N/A TYR 84.A OH ASP 136.A OD1 no hydrogen 3.255 N/A TYR 84.A OH ASP 136.A OD2 no hydrogen 2.628 N/A ASN 85.A N ARG 82.A O no hydrogen 3.267 N/A GLN 86.A N LEU 81.A O no hydrogen 3.095 N/A GLY 89.A N SER 87.A OG no hydrogen 3.151 N/A SER 91.A OG SER 12.A O no hydrogen 2.831 N/A HIS 92.A N SER 12.A OG no hydrogen 2.725 N/A HIS 92.A ND1 ASP 118.A OD2 no hydrogen 2.733 N/A THR 93.A N ASP 118.A OD1 no hydrogen 2.997 N/A LEU 94.A N ALA 10.A O no hydrogen 2.805 N/A GLN 95.A N ALA 116.A O no hydrogen 2.844 N/A TRP 96.A N VAL 8.A O no hydrogen 2.905 N/A MET 97.A N GLN 114.A O no hydrogen 2.980 N/A ALA 98.A N TYR 6.A O no hydrogen 3.170 N/A GLY 99.A N TYR 112.A O no hydrogen 3.083 N/A CYS 100.A N LEU 4.A O no hydrogen 2.923 N/A ASP 101.A N ARG 110.A O no hydrogen 2.864 N/A VAL 102.A N HIS 2.A O no hydrogen 2.914 N/A GLU 103.A N ARG 107.A O no hydrogen 3.010 N/A GLY 106.A N GLU 103.A O no hydrogen 3.037 N/A LEU 109.A N ASP 101.A O no hydrogen 2.558 N/A ARG 110.A N ASP 101.A O no hydrogen 3.394 N/A TYR 112.A N GLY 99.A O no hydrogen 2.848 N/A TYR 112.A OH ASP 101.A OD2 no hydrogen 2.935 N/A GLN 114.A N MET 97.A O no hydrogen 3.030 N/A PHE 115.A N ILE 123.A O no hydrogen 2.766 N/A ALA 116.A N GLN 95.A O no hydrogen 3.003 N/A TYR 117.A N CYS 120.A O no hydrogen 2.906 N/A TYR 117.A OH GLN 86.A OE1 no hydrogen 2.762 N/A ASP 118.A N THR 93.A O no hydrogen 2.850 N/A CYS 120.A N TYR 117.A O no hydrogen 3.094 N/A CYS 120.A SG ASP 118.A O no hydrogen 3.999 N/A TYR 122.A N PHE 115.A O no hydrogen 2.951 N/A TYR 122.A OH THR 142.A OG1 no hydrogen 2.687 N/A ALA 124.A N THR 133.A O no hydrogen 2.953 N/A LEU 125.A N TRP 113.A O no hydrogen 2.976 N/A ASN 126.A N THR 131.A O no hydrogen 2.838 N/A ASN 126.A ND2 THR 131.A OG1 no hydrogen 2.459 N/A LEU 129.A N ASN 126.A O no hydrogen 2.877 N/A LYS 130.A N ASP 128.A OD1 no hydrogen 2.613 N/A THR 131.A N ASP 128.A OD1 no hydrogen 2.941 N/A THR 131.A OG1 ASP 128.A OD1 no hydrogen 3.367 N/A THR 131.A OG1 ASP 128.A OD2 no hydrogen 2.968 N/A THR 133.A N ALA 124.A O no hydrogen 2.816 N/A THR 133.A OG1 ASN 126.A OD1 no hydrogen 2.282 N/A ALA 135.A N TYR 122.A O no hydrogen 2.909 N/A ALA 139.A N ASP 136.A OD1 no hydrogen 2.978 N/A GLN 140.A N ASP 136.A O no hydrogen 3.293 N/A GLN 140.A N MET 137.A O no hydrogen 2.974 N/A ILE 141.A N MET 137.A O no hydrogen 3.333 N/A THR 142.A OG1 TYR 122.A OH no hydrogen 2.687 N/A ARG 143.A N ALA 139.A O no hydrogen 2.838 N/A ARG 143.A NH1 TRP 132.A O no hydrogen 3.462 N/A ARG 144.A N GLN 140.A O no hydrogen 2.879 N/A LYS 145.A N ILE 141.A O no hydrogen 2.913 N/A LYS 145.A NZ TYR 83.A OH no hydrogen 3.404 N/A TRP 146.A N THR 142.A O no hydrogen 2.842 N/A GLU 147.A N ARG 143.A O no hydrogen 2.808 N/A GLN 148.A N ARG 144.A O no hydrogen 3.199 N/A ALA 149.A N LYS 145.A O no hydrogen 3.204 N/A GLY 150.A N GLU 147.A O no hydrogen 3.322 N/A ALA 151.A N TRP 146.A O no hydrogen 3.047 N/A ARG 154.A N GLY 150.A O no hydrogen 3.483 N/A ASP 155.A N ALA 151.A O no hydrogen 2.931 N/A ARG 156.A N ALA 152.A O no hydrogen 2.727 N/A ARG 156.A NE LEU 129.A O no hydrogen 2.984 N/A ARG 156.A NH2 LEU 129.A O no hydrogen 3.486 N/A ALA 157.A N GLU 153.A O no hydrogen 3.123 N/A ALA 157.A N ARG 154.A O no hydrogen 3.144 N/A LEU 159.A N ASP 155.A O no hydrogen 3.111 N/A GLU 160.A N ARG 156.A O no hydrogen 2.808 N/A CYS 163.A N TYR 158.A O no hydrogen 2.815 N/A CYS 163.A SG LEU 4.A O no hydrogen 3.756 N/A GLU 165.A N GLY 161.A O no hydrogen 3.265 N/A TRP 166.A N GLU 162.A O no hydrogen 3.007 N/A LEU 167.A N CYS 163.A O no hydrogen 3.086 N/A ARG 168.A N VAL 164.A O no hydrogen 3.181 N/A ARG 169.A N GLU 165.A O no hydrogen 3.184 N/A TYR 170.A N TRP 166.A O no hydrogen 2.701 N/A TYR 170.A OH TYR 58.A OH no hydrogen 2.463 N/A LEU 171.A N LEU 167.A O no hydrogen 2.785 N/A LYS 172.A N ARG 168.A O no hydrogen 3.126 N/A LYS 172.A N ARG 169.A O no hydrogen 3.235 N/A ASN 173.A N ARG 169.A O no hydrogen 2.978 N/A GLY 174.A N TYR 170.A O no hydrogen 2.830 N/A ASN 175.A N LYS 172.A O no hydrogen 3.343 N/A THR 177.A N GLY 174.A O no hydrogen 2.899 N/A LEU 178.A N GLY 174.A O no hydrogen 2.825 N/A LEU 179.A N ASN 175.A O no hydrogen 3.086 N/A ARG 180.A NE ASP 182.A OD2 no hydrogen 3.062 N/A ARG 180.A NH1 THR 177.A O no hydrogen 2.735 N/A ARG 180.A NH2 GLY 238.A O no hydrogen 3.550 N/A ASP 182.A N TYR 208.A O no hydrogen 2.906 N/A LYS 185.A N LEU 205.A O no hydrogen 3.028 N/A HIS 187.A N TRP 203.A O no hydrogen 3.234 N/A THR 189.A N ARG 201.A O no hydrogen 2.888 N/A HIS 190.A NE2 GLU 253.A OE1 no hydrogen 2.795 N/A HIS 191.A N THR 199.A O no hydrogen 3.002 N/A ARG 193.A N ASP 197.A O no hydrogen 2.712 N/A ARG 193.A NH1 ASP 197.A OD1 no hydrogen 2.798 N/A GLU 195.A N GLU 195.A OE1 no hydrogen 2.376 N/A GLY 196.A N ARG 193.A O no hydrogen 3.015 N/A VAL 198.A N VAL 248.A O no hydrogen 2.675 N/A THR 199.A N HIS 191.A O no hydrogen 2.857 N/A LEU 200.A N VAL 246.A O no hydrogen 2.889 N/A ARG 201.A N THR 189.A O no hydrogen 3.048 N/A CYS 202.A N ALA 244.A O no hydrogen 2.898 N/A TRP 203.A N HIS 187.A O no hydrogen 2.825 N/A ALA 204.A N LYS 242.A O no hydrogen 2.865 N/A LEU 205.A N LYS 185.A O no hydrogen 2.860 N/A PHE 207.A N PHE 240.A O no hydrogen 3.350 N/A TYR 208.A N ASP 182.A O no hydrogen 3.084 N/A TYR 208.A OH THR 30.A OG1 no hydrogen 3.429 N/A TYR 208.A OH LEU 178.A O no hydrogen 2.890 N/A THR 213.A N GLU 261.A O no hydrogen 3.153 N/A THR 215.A N HIS 259.A O no hydrogen 3.060 N/A TRP 216.A NE1 ALA 244.A O no hydrogen 3.015 N/A GLN 217.A N THR 257.A O no hydrogen 2.586 N/A LEU 218.A N GLU 221.A O no hydrogen 3.157 N/A LEU 223.A N TRP 216.A O no hydrogen 2.955 N/A GLU 228.A N SER 245.A O no hydrogen 2.741 N/A VAL 230.A N TRP 243.A O no hydrogen 3.262 N/A ARG 233.A N GLN 241.A O no hydrogen 3.109 N/A ARG 233.A NE GLN 241.A OE1 no hydrogen 2.671 N/A ARG 233.A NH2 GLN 241.A OE1 no hydrogen 2.835 N/A ALA 235.A N THR 239.A O no hydrogen 2.764 N/A GLY 238.A N ALA 235.A O no hydrogen 3.436 N/A THR 239.A N ASP 237.A OD1 no hydrogen 3.128 N/A THR 239.A OG1 ASP 237.A OD1 no hydrogen 2.788 N/A PHE 240.A N PHE 207.A O no hydrogen 2.944 N/A GLN 241.A N ARG 233.A O no hydrogen 3.063 N/A LYS 242.A N ALA 204.A O no hydrogen 3.009 N/A LYS 242.A NZ VAL 230.A O no hydrogen 3.323 N/A LYS 242.A NZ THR 232.A OG1 no hydrogen 3.169 N/A ALA 244.A N CYS 202.A O no hydrogen 3.162 N/A SER 245.A N GLU 228.A O no hydrogen 2.708 N/A SER 245.A OG GLU 228.A OE1 no hydrogen 3.356 N/A VAL 246.A N LEU 200.A O no hydrogen 3.053 N/A VAL 248.A N VAL 198.A O no hydrogen 2.715 N/A GLY 251.A N GLU 253.A OE1 no hydrogen 3.158 N/A LYS 252.A N PRO 249.A O no hydrogen 3.098 N/A GLU 253.A N GLU 253.A OE2 no hydrogen 2.643 N/A LYS 255.A N LYS 252.A O no hydrogen 3.314 N/A TYR 256.A N GLU 253.A O no hydrogen 2.949 N/A THR 257.A N GLN 217.A O no hydrogen 2.710 N/A CYS 258.A N LEU 271.A O no hydrogen 2.808 N/A CYS 258.A SG THR 215.A O no hydrogen 3.854 N/A HIS 259.A N THR 215.A O no hydrogen 2.808 N/A VAL 260.A N LEU 269.A O no hydrogen 2.916 N/A GLU 261.A N THR 213.A O no hydrogen 3.054 N/A HIS 262.A NE2 PRO 209.A O no hydrogen 2.728 N/A GLY 264.A N HIS 262.A ND1 no hydrogen 2.959 N/A LEU 265.A N HIS 262.A O no hydrogen 3.105 N/A LEU 269.A N VAL 260.A O no hydrogen 2.828 N/A LEU 271.A N CYS 258.A O no hydrogen 3.091 N/A