Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5gsx_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 3.A N VAL 103.A O no hydrogen 3.136 N/A HIS 3.A ND1 ASP 29.A OD2 no hydrogen 2.811 N/A SER 4.A N ASP 29.A OD1 no hydrogen 2.929 N/A LEU 5.A N CYS 101.A O no hydrogen 2.912 N/A ARG 6.A N TYR 27.A O no hydrogen 2.903 N/A ARG 6.A NE ASP 102.A OD2 no hydrogen 2.871 N/A ARG 6.A NH2 ASP 102.A OD1 no hydrogen 2.891 N/A ARG 6.A NH2 ASP 102.A OD2 no hydrogen 3.050 N/A TYR 7.A N PHE 99.A O no hydrogen 2.843 N/A PHE 8.A N VAL 25.A O no hydrogen 2.838 N/A VAL 9.A N ARG 97.A O no hydrogen 2.856 N/A THR 10.A N ILE 23.A O no hydrogen 2.649 N/A ALA 11.A N PHE 95.A O no hydrogen 2.807 N/A VAL 12.A N ARG 21.A O no hydrogen 2.812 N/A SER 13.A N HIS 93.A O no hydrogen 2.927 N/A SER 13.A OG HIS 93.A O no hydrogen 3.558 N/A ARG 14.A NE GLU 19.A O no hydrogen 2.753 N/A ARG 14.A NH2 GLU 19.A O no hydrogen 3.392 N/A ARG 14.A NH2 ASP 39.A OD1 no hydrogen 3.201 N/A LEU 17.A N ARG 14.A O no hydrogen 3.163 N/A ARG 21.A N VAL 12.A O no hydrogen 2.708 N/A PHE 22.A N SER 38.A OG no hydrogen 2.979 N/A ILE 23.A N THR 10.A O no hydrogen 2.819 N/A ALA 24.A N PHE 36.A O no hydrogen 3.174 N/A VAL 25.A N PHE 8.A O no hydrogen 2.903 N/A GLY 26.A N VAL 34.A O no hydrogen 3.126 N/A TYR 27.A N ARG 6.A O no hydrogen 2.751 N/A VAL 28.A N THR 31.A O no hydrogen 2.894 N/A ASP 29.A N SER 4.A O no hydrogen 2.914 N/A THR 31.A N VAL 28.A O no hydrogen 2.987 N/A THR 31.A OG1 TYR 209.A OH no hydrogen 2.757 N/A GLN 32.A NE2 VAL 34.A O no hydrogen 3.152 N/A PHE 33.A N GLY 26.A O no hydrogen 2.800 N/A ARG 35.A N GLU 46.A O no hydrogen 3.099 N/A ARG 35.A NE GLU 46.A OE2 no hydrogen 2.992 N/A ARG 35.A NH2 GLU 46.A OE2 no hydrogen 2.640 N/A PHE 36.A N ALA 24.A O no hydrogen 2.945 N/A SER 38.A N PHE 22.A O no hydrogen 3.061 N/A SER 38.A OG PHE 22.A O no hydrogen 3.181 N/A ALA 40.A N ASP 37.A O no hydrogen 3.217 N/A PHE 45.A N THR 64.A OG1 no hydrogen 2.786 N/A GLU 46.A N ARG 35.A O no hydrogen 3.032 N/A ARG 48.A N PHE 33.A O no hydrogen 2.754 N/A MET 52.A N ALA 49.A O no hydrogen 3.046 N/A GLU 53.A N PRO 50.A O no hydrogen 3.402 N/A GLU 55.A N MET 52.A O no hydrogen 3.482 N/A TYR 59.A OH TYR 171.A OH no hydrogen 2.777 N/A TRP 60.A N GLY 56.A O no hydrogen 3.454 N/A GLU 61.A N PRO 57.A O no hydrogen 2.839 N/A GLU 62.A N GLU 58.A O no hydrogen 3.142 N/A GLN 63.A N TYR 59.A O no hydrogen 3.016 N/A THR 64.A N TRP 60.A O no hydrogen 2.882 N/A THR 64.A OG1 TRP 60.A O no hydrogen 2.998 N/A GLN 65.A N GLU 61.A O no hydrogen 3.002 N/A ARG 66.A N GLU 62.A O no hydrogen 2.955 N/A ARG 66.A NE GLU 62.A OE1 no hydrogen 2.640 N/A ARG 66.A NH1 GLU 163.A OE1 no hydrogen 3.033 N/A ARG 66.A NH2 GLU 62.A OE1 no hydrogen 3.436 N/A ARG 66.A NH2 GLU 163.A OE1 no hydrogen 3.520 N/A ARG 66.A NH2 GLU 163.A OE2 no hydrogen 3.087 N/A ALA 67.A N GLN 63.A O no hydrogen 3.029 N/A LYS 68.A N THR 64.A O no hydrogen 2.898 N/A LYS 68.A NZ PRO 43.A O no hydrogen 3.518 N/A SER 69.A N GLN 65.A O no hydrogen 3.123 N/A ASP 70.A N ARG 66.A O no hydrogen 3.060 N/A GLU 71.A N ALA 67.A O no hydrogen 2.758 N/A GLN 72.A N LYS 68.A O no hydrogen 3.199 N/A TRP 73.A N SER 69.A O no hydrogen 3.216 N/A PHE 74.A N ASP 70.A O no hydrogen 2.991 N/A ARG 75.A N GLU 71.A O no hydrogen 3.080 N/A ARG 75.A NH2 GLU 71.A OE2 no hydrogen 3.273 N/A VAL 76.A N GLN 72.A O no hydrogen 3.312 N/A SER 77.A N TRP 73.A O no hydrogen 2.947 N/A SER 77.A OG TRP 73.A O no hydrogen 2.794 N/A LEU 78.A N PHE 74.A O no hydrogen 2.881 N/A ARG 79.A N ARG 75.A O no hydrogen 3.339 N/A THR 80.A N VAL 76.A O no hydrogen 2.700 N/A THR 80.A OG1 VAL 76.A O no hydrogen 2.994 N/A ALA 81.A N SER 77.A O no hydrogen 2.674 N/A GLN 82.A N LEU 78.A O no hydrogen 3.008 N/A ARG 83.A N ARG 79.A O no hydrogen 3.165 N/A TYR 84.A N THR 80.A O no hydrogen 2.963 N/A TYR 85.A N ALA 81.A O no hydrogen 3.235 N/A TYR 85.A OH ASP 137.A OD1 no hydrogen 2.620 N/A TYR 85.A OH ASP 137.A OD2 no hydrogen 3.158 N/A ASN 86.A N GLN 82.A O no hydrogen 3.167 N/A ASN 86.A N ARG 83.A O no hydrogen 3.175 N/A GLN 87.A N GLN 82.A O no hydrogen 3.124 N/A GLN 87.A NE2 ASP 119.A OD2 no hydrogen 3.396 N/A SER 88.A OG LYS 89.A O no hydrogen 3.019 N/A SER 92.A OG SER 13.A O no hydrogen 2.596 N/A HIS 93.A N SER 13.A OG no hydrogen 2.926 N/A HIS 93.A ND1 ASP 119.A OD2 no hydrogen 3.030 N/A THR 94.A N ASP 119.A OD1 no hydrogen 3.234 N/A PHE 95.A N ALA 11.A O no hydrogen 2.765 N/A GLN 96.A N ALA 117.A O no hydrogen 2.897 N/A ARG 97.A N VAL 9.A O no hydrogen 3.005 N/A ARG 97.A NH1 ASP 70.A OD1 no hydrogen 2.870 N/A MET 98.A N GLN 115.A O no hydrogen 3.007 N/A PHE 99.A N TYR 7.A O no hydrogen 3.243 N/A GLY 100.A N TYR 113.A O no hydrogen 3.334 N/A CYS 101.A N LEU 5.A O no hydrogen 2.914 N/A ASP 102.A N ARG 111.A O no hydrogen 2.839 N/A VAL 103.A N HIS 3.A O no hydrogen 2.901 N/A GLY 104.A N ARG 108.A O no hydrogen 3.102 N/A TRP 107.A N GLY 104.A O no hydrogen 3.088 N/A ARG 108.A NH2 ASP 106.A OD2 no hydrogen 3.420 N/A LEU 110.A N ASP 102.A O no hydrogen 2.831 N/A ARG 111.A N ASP 102.A O no hydrogen 3.389 N/A ARG 111.A NH1 GLY 112.A O no hydrogen 2.341 N/A ARG 111.A NH1 LEU 126.A O no hydrogen 3.285 N/A ARG 111.A NH2 LEU 126.A O no hydrogen 3.389 N/A TYR 113.A N GLY 100.A O no hydrogen 2.826 N/A TYR 113.A OH ASP 102.A OD1 no hydrogen 3.206 N/A GLN 115.A N MET 98.A O no hydrogen 3.116 N/A PHE 116.A N ILE 124.A O no hydrogen 2.729 N/A ALA 117.A N GLN 96.A O no hydrogen 2.922 N/A TYR 118.A N ARG 121.A O no hydrogen 2.901 N/A TYR 118.A OH GLN 87.A OE1 no hydrogen 2.705 N/A ASP 119.A N THR 94.A O no hydrogen 2.877 N/A ARG 121.A N TYR 118.A O no hydrogen 3.088 N/A TYR 123.A N PHE 116.A O no hydrogen 2.865 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.823 N/A ILE 124.A N PHE 116.A O no hydrogen 3.417 N/A ALA 125.A N THR 134.A O no hydrogen 3.121 N/A LEU 126.A N HIS 114.A O no hydrogen 2.980 N/A ASN 127.A N THR 132.A O no hydrogen 2.903 N/A ASN 127.A ND2 THR 132.A OG1 no hydrogen 2.922 N/A LEU 130.A N ASN 127.A O no hydrogen 2.956 N/A LYS 131.A N ASP 129.A OD1 no hydrogen 2.913 N/A THR 132.A N ASP 129.A OD1 no hydrogen 3.064 N/A THR 132.A OG1 ASP 129.A OD1 no hydrogen 2.992 N/A THR 132.A OG1 ASP 129.A OD2 no hydrogen 2.566 N/A THR 134.A N ALA 125.A O no hydrogen 2.841 N/A THR 134.A OG1 ASN 127.A OD1 no hydrogen 2.530 N/A ALA 136.A N TYR 123.A O no hydrogen 2.967 N/A ALA 140.A N ASP 137.A OD2 no hydrogen 3.007 N/A LEU 141.A N ASP 137.A O no hydrogen 3.038 N/A ILE 142.A N ALA 139.A O no hydrogen 3.055 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.823 N/A ARG 144.A N ALA 140.A O no hydrogen 2.698 N/A ARG 145.A N LEU 141.A O no hydrogen 2.975 N/A LYS 146.A N ILE 142.A O no hydrogen 3.208 N/A TRP 147.A N THR 143.A O no hydrogen 2.909 N/A GLU 148.A N ARG 144.A O no hydrogen 2.887 N/A GLN 149.A N ARG 145.A O no hydrogen 3.321 N/A ALA 150.A N LYS 146.A O no hydrogen 3.057 N/A GLY 151.A N GLU 148.A O no hydrogen 3.335 N/A ASP 152.A N TRP 147.A O no hydrogen 3.062 N/A TYR 155.A N GLY 151.A O no hydrogen 3.385 N/A TYR 156.A N ASP 152.A O no hydrogen 2.940 N/A ARG 157.A N ALA 153.A O no hydrogen 2.848 N/A ALA 158.A N GLU 154.A O no hydrogen 3.056 N/A LEU 160.A N TYR 156.A O no hydrogen 2.721 N/A GLU 161.A N ARG 157.A O no hydrogen 2.810 N/A GLY 162.A N ALA 158.A O no hydrogen 3.061 N/A GLY 162.A N TYR 159.A O no hydrogen 3.185 N/A CYS 164.A N TYR 159.A O no hydrogen 3.050 N/A GLU 166.A N GLY 162.A O no hydrogen 2.782 N/A TRP 167.A N GLU 163.A O no hydrogen 2.875 N/A LEU 168.A N CYS 164.A O no hydrogen 2.955 N/A ARG 169.A N VAL 165.A O no hydrogen 3.150 N/A ARG 170.A N GLU 166.A O no hydrogen 3.325 N/A ARG 170.A NH1 GLU 173.A OE1 no hydrogen 3.475 N/A TYR 171.A N TRP 167.A O no hydrogen 2.912 N/A TYR 171.A OH TYR 59.A OH no hydrogen 2.777 N/A LEU 172.A N LEU 168.A O no hydrogen 3.049 N/A GLU 173.A N ARG 169.A O no hydrogen 3.230 N/A GLU 173.A N ARG 170.A O no hydrogen 3.102 N/A LEU 174.A N ARG 170.A O no hydrogen 2.890 N/A GLY 175.A N TYR 171.A O no hydrogen 3.041 N/A ASN 176.A N GLU 173.A O no hydrogen 3.421 N/A ASN 176.A ND2 GLU 173.A O no hydrogen 2.740 N/A THR 178.A N GLY 175.A O no hydrogen 2.904 N/A THR 178.A OG1 GLY 175.A O no hydrogen 3.181 N/A LEU 179.A N GLY 175.A O no hydrogen 2.683 N/A LEU 180.A N ASN 176.A O no hydrogen 3.470 N/A ARG 181.A NE ASP 183.A OD2 no hydrogen 2.723 N/A ARG 181.A NH1 THR 178.A O no hydrogen 2.614 N/A LYS 186.A N LEU 206.A O no hydrogen 2.795 N/A HIS 188.A N TRP 204.A O no hydrogen 3.320 N/A THR 190.A N ARG 202.A O no hydrogen 2.773 N/A THR 190.A OG1 ARG 202.A O no hydrogen 3.335 N/A TYR 191.A OH GLU 254.A OE2 no hydrogen 3.021 N/A HIS 192.A N THR 200.A O no hydrogen 3.009 N/A SER 195.A N ASP 198.A OD1 no hydrogen 2.526 N/A VAL 197.A N SER 195.A OG no hydrogen 3.156 N/A VAL 199.A N VAL 249.A O no hydrogen 2.876 N/A THR 200.A N HIS 192.A O no hydrogen 2.923 N/A LEU 201.A N VAL 247.A O no hydrogen 2.949 N/A ARG 202.A N THR 190.A O no hydrogen 3.035 N/A CYS 203.A N ALA 245.A O no hydrogen 2.876 N/A TRP 204.A N HIS 188.A O no hydrogen 2.874 N/A TRP 204.A NE1 THR 190.A OG1 no hydrogen 3.015 N/A ALA 205.A N LYS 243.A O no hydrogen 2.849 N/A LEU 206.A N LYS 186.A O no hydrogen 3.009 N/A PHE 208.A N PHE 241.A O no hydrogen 3.496 N/A TYR 209.A N ASP 183.A O no hydrogen 2.950 N/A TYR 209.A OH THR 31.A OG1 no hydrogen 2.757 N/A ALA 211.A N ASP 30.A OD2 no hydrogen 2.808 N/A THR 214.A N HIS 262.A O no hydrogen 3.159 N/A THR 216.A N HIS 260.A O no hydrogen 3.264 N/A TRP 217.A NE1 ALA 245.A O no hydrogen 2.688 N/A GLN 218.A N THR 258.A O no hydrogen 3.111 N/A LEU 219.A N GLU 222.A O no hydrogen 3.226 N/A ASN 220.A N ASN 256.A O no hydrogen 2.815 N/A GLU 229.A N ALA 246.A O no hydrogen 2.818 N/A VAL 231.A N TRP 244.A O no hydrogen 3.229 N/A ARG 234.A N GLN 242.A O no hydrogen 2.909 N/A ARG 234.A NE GLN 242.A OE1 no hydrogen 3.059 N/A ARG 234.A NH2 GLN 242.A OE1 no hydrogen 2.999 N/A ALA 236.A N THR 240.A O no hydrogen 2.902 N/A THR 240.A N ASP 238.A OD1 no hydrogen 3.060 N/A THR 240.A OG1 ASP 238.A OD1 no hydrogen 2.653 N/A PHE 241.A N PHE 208.A O no hydrogen 2.997 N/A GLN 242.A N ARG 234.A O no hydrogen 2.733 N/A LYS 243.A N ALA 205.A O no hydrogen 3.051 N/A LYS 243.A NZ VAL 231.A O no hydrogen 3.080 N/A LYS 243.A NZ THR 233.A OG1 no hydrogen 2.862 N/A ALA 245.A N CYS 203.A O no hydrogen 2.977 N/A ALA 246.A N GLU 229.A O no hydrogen 2.636 N/A VAL 247.A N LEU 201.A O no hydrogen 2.972 N/A VAL 249.A N VAL 199.A O no hydrogen 2.849 N/A LEU 251.A N VAL 197.A O no hydrogen 2.763 N/A GLY 252.A N GLU 254.A OE1 no hydrogen 2.911 N/A LYS 253.A N PRO 250.A O no hydrogen 2.981 N/A GLU 254.A N GLU 254.A OE1 no hydrogen 2.731 N/A GLN 255.A NE2 GLY 252.A O no hydrogen 2.981 N/A ASN 256.A N LYS 253.A O no hydrogen 3.335 N/A TYR 257.A N GLU 254.A O no hydrogen 3.401 N/A THR 258.A N GLN 218.A O no hydrogen 3.176 N/A THR 258.A OG1 HIS 260.A NE2 no hydrogen 2.826 N/A CYS 259.A N LEU 272.A O no hydrogen 2.773 N/A CYS 259.A SG THR 216.A O no hydrogen 3.796 N/A CYS 259.A SG HIS 260.A O no hydrogen 3.933 N/A HIS 260.A N THR 216.A O no hydrogen 2.904 N/A VAL 261.A N LEU 270.A O no hydrogen 3.007 N/A HIS 262.A N THR 214.A O no hydrogen 3.001 N/A HIS 263.A NE2 PRO 210.A O no hydrogen 3.077 N/A GLY 265.A N HIS 263.A ND1 no hydrogen 2.836 N/A LEU 266.A N HIS 263.A O no hydrogen 2.872 N/A LEU 270.A N VAL 261.A O no hydrogen 2.817 N/A LEU 272.A N CYS 259.A O no hydrogen 2.737 N/A ARG 273.A NE GLN 255.A O no hydrogen 2.768 N/A ARG 273.A NH2 GLN 255.A O no hydrogen 3.410 N/A