Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7rr4_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLU 4.A N MET 1.A O no hydrogen 3.080 N/A ILE 5.A N ILE 2.A O no hydrogen 3.319 N/A ALA 7.A N ASP 158.A O no hydrogen 2.872 N/A LYS 9.A N ILE 5.A O no hydrogen 3.180 N/A ALA 10.A N PRO 6.A O no hydrogen 3.052 N/A LEU 11.A N ALA 7.A O no hydrogen 2.915 N/A SER 12.A N ILE 8.A O no hydrogen 2.716 N/A SER 12.A OG LYS 9.A O no hydrogen 2.797 N/A ARG 13.A N ALA 10.A O no hydrogen 3.190 N/A GLN 16.A NE2 VAL 67.A O no hydrogen 2.828 N/A GLN 16.A NE2 ASP 72.A OD2 no hydrogen 3.102 N/A TRP 17.A N GLY 47.A O no hydrogen 2.815 N/A TRP 17.A NE1 LEU 11.A O no hydrogen 3.179 N/A VAL 18.A N GLY 65.A O no hydrogen 2.903 N/A ILE 19.A N TYR 30.A O no hydrogen 3.215 N/A TRP 20.A N GLY 63.A O no hydrogen 3.000 N/A LYS 21.A N ILE 28.A O no hydrogen 3.081 N/A LYS 22.A N ASN 62.A OD1 no hydrogen 3.085 N/A ALA 23.A N THR 26.A O no hydrogen 2.901 N/A THR 26.A N ALA 23.A O no hydrogen 3.188 N/A THR 26.A OG1 ALA 23.A O no hydrogen 3.378 N/A ILE 28.A N LYS 21.A O no hydrogen 3.003 N/A TYR 30.A N ILE 19.A O no hydrogen 2.548 N/A ASN 31.A N LYS 36.A O no hydrogen 2.698 N/A ASN 33.A N ASN 31.A OD1 no hydrogen 2.889 N/A ASN 33.A ND2 GLU 51.A OE1 no hydrogen 3.309 N/A GLY 35.A N ASN 31.A O no hydrogen 2.867 N/A LYS 36.A N ASN 34.A OD1 no hydrogen 2.894 N/A ALA 38.A N PRO 29.A O no hydrogen 3.031 N/A THR 41.A N SER 39.A OG no hydrogen 3.071 N/A THR 41.A OG1 SER 39.A OG no hydrogen 3.157 N/A LEU 44.A N ASP 42.A OD1 no hydrogen 3.409 N/A ALA 45.A N ASP 42.A O no hydrogen 3.086 N/A TRP 46.A N PRO 43.A O no hydrogen 3.443 N/A TRP 46.A NE1 SER 39.A O no hydrogen 2.827 N/A GLY 47.A N TRP 17.A O no hydrogen 2.912 N/A ASP 48.A N GLU 51.A OE1 no hydrogen 3.283 N/A GLU 51.A N ASP 48.A OD1 no hydrogen 2.828 N/A ALA 52.A N ASP 48.A O no hydrogen 2.886 N/A GLN 53.A N ILE 49.A O no hydrogen 2.878 N/A ALA 54.A N ASP 50.A O no hydrogen 3.050 N/A GLY 55.A N GLU 51.A O no hydrogen 2.822 N/A LEU 56.A N ALA 52.A O no hydrogen 2.791 N/A VAL 57.A N GLN 53.A O no hydrogen 3.255 N/A ARG 58.A N ALA 54.A O no hydrogen 2.844 N/A ARG 58.A NH1 PRO 32.A O no hydrogen 2.933 N/A ARG 58.A NH1 TYR 59.A OH no hydrogen 3.156 N/A TYR 59.A N GLY 55.A O no hydrogen 2.918 N/A TYR 59.A OH ASN 33.A O no hydrogen 3.192 N/A GLY 60.A N VAL 57.A O no hydrogen 3.445 N/A ALA 61.A N LEU 56.A O no hydrogen 3.172 N/A ASN 62.A N TRP 20.A O no hydrogen 2.979 N/A GLY 65.A N VAL 18.A O no hydrogen 2.715 N/A PHE 66.A N MET 147.A O no hydrogen 2.810 N/A VAL 67.A N GLN 16.A O no hydrogen 2.817 N/A LEU 68.A N ARG 145.A O no hydrogen 2.883 N/A THR 69.A N ASP 72.A OD2 no hydrogen 2.586 N/A THR 69.A OG1 GLN 16.A OE1 no hydrogen 3.547 N/A THR 69.A OG1 ASP 72.A OD2 no hydrogen 2.577 N/A ASP 72.A N THR 69.A OG1 no hydrogen 3.342 N/A PHE 74.A N ASP 72.A OD1 no hydrogen 3.036 N/A VAL 75.A N VAL 118.A O no hydrogen 2.724 N/A PHE 76.A N TYR 141.A O no hydrogen 2.653 N/A ILE 77.A N VAL 116.A O no hydrogen 2.926 N/A ASP 78.A N GLU 139.A O no hydrogen 2.670 N/A LEU 79.A N LEU 114.A O no hydrogen 2.805 N/A ASP 80.A N ALA 137.A O no hydrogen 2.854 N/A HIS 81.A ND1 ASP 112.A OD2 no hydrogen 2.699 N/A LEU 83.A N ASP 112.A O no hydrogen 2.873 N/A ASP 84.A N ARG 88.A O no hydrogen 2.817 N/A LYS 87.A N ASP 84.A O no hydrogen 3.127 N/A LYS 87.A NZ GLU 152.A OE2 no hydrogen 2.660 N/A ARG 88.A N ASP 84.A OD1 no hydrogen 2.726 N/A LYS 90.A N VAL 82.A O no hydrogen 2.735 N/A CYS 91.A SG HIS 81.A O no hydrogen 3.793 N/A CYS 91.A SG ASP 134.A OD2 no hydrogen 3.180 N/A TRP 93.A NE1 SER 136.A OG no hydrogen 2.860 N/A ARG 95.A N CYS 91.A O no hydrogen 2.972 N/A GLN 96.A N GLU 92.A O no hydrogen 2.936 N/A GLN 96.A NE2 GLU 100.A OE1 no hydrogen 3.001 N/A LEU 97.A N TRP 93.A O no hydrogen 2.911 N/A LEU 98.A N ALA 94.A O no hydrogen 3.036 N/A LYS 99.A N ARG 95.A O no hydrogen 3.266 N/A GLU 100.A N GLN 96.A O no hydrogen 3.119 N/A GLU 100.A N LEU 97.A O no hydrogen 3.048 N/A ILE 101.A N LEU 97.A O no hydrogen 2.674 N/A SER 103.A OG VAL 117.A O no hydrogen 2.591 N/A TYR 104.A OH GLU 106.A OE1 no hydrogen 2.425 N/A THR 105.A N ARG 157.A O no hydrogen 2.979 N/A THR 105.A OG1 SER 103.A O no hydrogen 2.896 N/A GLU 106.A N HIS 115.A O no hydrogen 2.912 N/A ILE 107.A N GLU 152.A O no hydrogen 2.813 N/A SER 108.A N GLY 113.A O no hydrogen 2.958 N/A SER 110.A OG ASP 112.A OD1 no hydrogen 2.637 N/A GLY 111.A N SER 108.A O no hydrogen 2.921 N/A LEU 114.A N LEU 79.A O no hydrogen 2.933 N/A HIS 115.A N GLU 106.A O no hydrogen 2.790 N/A HIS 115.A ND1 GLU 106.A OE2 no hydrogen 3.307 N/A VAL 116.A N ILE 77.A O no hydrogen 2.853 N/A VAL 117.A N TYR 104.A O no hydrogen 2.931 N/A VAL 118.A N VAL 75.A O no hydrogen 3.126 N/A SER 119.A N LYS 161.A O no hydrogen 2.908 N/A GLY 120.A N PRO 73.A O no hydrogen 2.855 N/A LEU 122.A N GLU 142.A OE1 no hydrogen 3.074 N/A LYS 127.A N GLU 173.A O no hydrogen 2.949 N/A THR 130.A N LEU 138.A O no hydrogen 2.817 N/A PHE 132.A N SER 136.A O no hydrogen 2.915 N/A GLY 135.A N PHE 132.A O no hydrogen 3.293 N/A SER 136.A N ASP 134.A OD1 no hydrogen 3.079 N/A SER 136.A OG ASP 134.A OD1 no hydrogen 2.704 N/A ALA 137.A N ASP 80.A O no hydrogen 3.226 N/A LEU 138.A N THR 130.A O no hydrogen 2.714 N/A GLU 139.A N ASP 78.A O no hydrogen 2.907 N/A VAL 140.A N HIS 128.A O no hydrogen 2.990 N/A TYR 141.A N PHE 76.A O no hydrogen 2.850 N/A TYR 141.A OH GLU 139.A OE1 no hydrogen 2.754 N/A GLY 144.A N LEU 68.A O no hydrogen 3.237 N/A TYR 146.A OH LYS 27.A O no hydrogen 2.803 N/A MET 147.A N PHE 66.A O no hydrogen 2.886 N/A ILE 149.A N LEU 64.A O no hydrogen 2.926 N/A THR 150.A N GLU 106.A OE2 no hydrogen 2.941 N/A THR 150.A OG1 ILE 107.A O no hydrogen 2.673 N/A GLY 151.A N GLU 106.A OE1 no hydrogen 2.858 N/A GLU 152.A N THR 150.A OG1 no hydrogen 3.180 N/A PHE 154.A N THR 105.A O no hydrogen 2.849 N/A ARG 157.A N PHE 154.A O no hydrogen 3.105 N/A ARG 157.A NE ASP 155.A OD2 no hydrogen 3.417 N/A ARG 157.A NH1 LEU 98.A O no hydrogen 2.800 N/A ARG 157.A NH2 LEU 98.A O no hydrogen 3.120 N/A LYS 161.A N SER 103.A OG no hydrogen 2.909 N/A LYS 161.A NZ ASP 159.A OD2 no hydrogen 3.112 N/A LEU 163.A N SER 119.A O no hydrogen 3.245 N/A SER 166.A N ASP 164.A OD2 no hydrogen 3.026 N/A SER 166.A OG ASP 164.A OD2 no hydrogen 3.174 N/A LEU 168.A N LEU 165.A O no hydrogen 2.951 N/A GLY 169.A N SER 166.A O no hydrogen 2.982 N/A GLU 170.A N ILE 167.A O no hydrogen 3.117 N/A PHE 171.A N LEU 168.A O no hydrogen 3.008 N/A ALA 172.A N LEU 168.A O no hydrogen 3.031 N/A GLU 173.A N THR 130.A OG1 no hydrogen 2.771 N/A HIS 174.A NE2 GLY 169.A O no hydrogen 2.779 N/A LYS 175.A N TYR 125.A O no hydrogen 2.723 N/A ILE 181.A N ASP 177.A O no hydrogen 3.269 N/A ILE 182.A N ASP 178.A O no hydrogen 2.926 N/A ASP 183.A N GLU 179.A O no hydrogen 2.988 N/A LEU 184.A N ALA 180.A O no hydrogen 2.767 N/A MET 185.A N ILE 181.A O no hydrogen 2.813 N/A LYS 186.A N ILE 182.A O no hydrogen 2.831 N/A ARG 187.A N ASP 183.A O no hydrogen 3.032 N/A LYS 188.A N LEU 184.A O no hydrogen 3.249 N/A GLY 189.A N LYS 186.A O no hydrogen 3.184 N/A GLN 190.A N MET 185.A O no hydrogen 2.770 N/A GLN 190.A NE2 ASP 271.A O no hydrogen 3.016 N/A ALA 196.A N ASP 199.A OD2 no hydrogen 2.952 N/A GLY 198.A N ASP 197.A OD1 no hydrogen 3.163 N/A ASP 199.A N ALA 196.A O no hydrogen 3.111 N/A TRP 201.A NE1 LEU 232.A O no hydrogen 2.949 N/A SER 202.A OG.B ASP 200.A OD1 no hydrogen 2.825 N/A SER 203.A N ASP 200.A OD1 no hydrogen 3.270 N/A LEU 204.A N ASP 200.A O no hydrogen 2.977 N/A ASP 205.A N TRP 201.A O no hydrogen 2.846 N/A MET 206.A N SER 202.A O no hydrogen 3.245 N/A SER 207.A N SER 203.A O no hydrogen 3.161 N/A SER 207.A OG SER 203.A O no hydrogen 3.304 N/A PHE 208.A N LEU 204.A O no hydrogen 3.022 N/A ALA 209.A N ASP 205.A O no hydrogen 2.674 N/A ASN 210.A N MET 206.A O no hydrogen 2.835 N/A ARG 211.A N SER 207.A O no hydrogen 3.203 N/A ARG 211.A NH1 SER 207.A O no hydrogen 3.170 N/A ARG 211.A NH2 CYS 272.A O no hydrogen 2.749 N/A LEU 212.A N PHE 208.A O no hydrogen 2.835 N/A ALA 213.A N ALA 209.A O no hydrogen 2.846 N/A PHE 214.A N ASN 210.A O no hydrogen 3.201 N/A TRP 215.A N ARG 211.A O no hydrogen 3.018 N/A CYS 216.A N LEU 212.A O no hydrogen 2.733 N/A GLY 217.A N PHE 214.A O no hydrogen 3.146 N/A LYS 218.A N ALA 213.A O no hydrogen 2.838 N/A LYS 218.A NZ CYS 255.A O no hydrogen 3.122 N/A LYS 218.A NZ VAL 258.A O no hydrogen 2.604 N/A ASP 219.A N CYS 216.A O no hydrogen 3.217 N/A GLU 221.A N ASP 219.A OD1 no hydrogen 3.184 N/A ARG 222.A N ASP 219.A OD1 no hydrogen 3.291 N/A ARG 222.A NE ASP 219.A OD2 no hydrogen 3.558 N/A MET 223.A N ASP 219.A O no hydrogen 2.885 N/A ASP 224.A N ILE 220.A O no hydrogen 2.992 N/A ARG 225.A N GLU 221.A O no hydrogen 3.050 N/A ARG 225.A NE ASP 178.A OD2 no hydrogen 2.582 N/A ARG 225.A NH2 ASP 178.A OD1 no hydrogen 2.851 N/A ARG 225.A NH2 ASP 178.A OD2 no hydrogen 3.445 N/A ILE 226.A N ARG 222.A O no hydrogen 2.887 N/A PHE 227.A N MET 223.A O no hydrogen 2.869 N/A ARG 228.A N ASP 224.A O no hydrogen 3.167 N/A ARG 228.A NE ASP 224.A OD2 no hydrogen 2.747 N/A ARG 228.A NH1 ASP 238.A OD1 no hydrogen 3.160 N/A ARG 228.A NH1 ASP 238.A OD2 no hydrogen 2.888 N/A ARG 228.A NH2 ASP 224.A OD2 no hydrogen 3.233 N/A ARG 228.A NH2 ASP 238.A OD1 no hydrogen 2.656 N/A GLN 229.A N ILE 226.A O no hydrogen 3.203 N/A SER 230.A N PHE 227.A O no hydrogen 3.016 N/A SER 230.A OG PHE 227.A O no hydrogen 2.838 N/A LEU 232.A N SER 230.A OG no hydrogen 3.177 N/A MET 233.A N SER 230.A O no hydrogen 3.237 N/A ARG 234.A NH2 SER 202.A OG.A no hydrogen 3.303 N/A ARG 234.A NH2 ASP 205.A OD2 no hydrogen 2.752 N/A LYS 236.A NZ SER 202.A OG.A no hydrogen 3.026 N/A TRP 237.A N ARG 234.A O no hydrogen 3.080 N/A TRP 237.A NE1 ASP 224.A OD1 no hydrogen 2.947 N/A ASP 238.A N GLN 235.A O no hydrogen 3.291 N/A ARG 239.A N LYS 236.A O no hydrogen 2.932 N/A THR 241.A N SER 244.A O no hydrogen 2.709 N/A THR 241.A OG1 ARG 239.A O no hydrogen 3.112 N/A SER 244.A N THR 241.A O no hydrogen 2.891 N/A TYR 246.A N ARG 239.A O no hydrogen 2.826 N/A TYR 246.A OH ASP 205.A OD2 no hydrogen 2.591 N/A GLY 247.A N TRP 237.A O no hydrogen 2.795 N/A ARG 248.A N THR 245.A OG1 no hydrogen 3.133 N/A ILE 249.A N THR 245.A O no hydrogen 2.990 N/A THR 250.A N TYR 246.A O no hydrogen 3.021 N/A THR 250.A OG1 TYR 246.A O no hydrogen 3.004 N/A LEU 251.A N GLY 247.A O no hydrogen 2.965 N/A LYS 252.A N ARG 248.A O no hydrogen 3.028 N/A LYS 252.A NZ SER 244.A OG no hydrogen 3.404 N/A LYS 253.A N ILE 249.A O no hydrogen 2.977 N/A ALA 254.A N THR 250.A O no hydrogen 2.969 N/A CYS 255.A N LEU 251.A O no hydrogen 2.939 N/A CYS 255.A SG LYS 218.A O no hydrogen 3.953 N/A CYS 255.A SG LEU 251.A O no hydrogen 3.320 N/A ASP 256.A N LYS 252.A O no hydrogen 2.964 N/A PHE 257.A N LYS 253.A O no hydrogen 2.921 N/A PHE 257.A N ALA 254.A O no hydrogen 3.096 N/A VAL 258.A N ALA 254.A O no hydrogen 3.062 N/A TYR 262.A N PHE 214.A O no hydrogen 3.000 N/A ALA 265.A N ASP 263.A O no hydrogen 2.297 N/A ARG 267.A NE ASN 268.A O no hydrogen 3.057 N/A SER 270.A OG ASP 271.A OD2 no hydrogen 3.387 N/A