Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4qps_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N ARG 68.A O no hydrogen 3.073 N/A THR 2.A OG1 ILE 3.A O no hydrogen 3.279 N/A PHE 4.A N VAL 70.A O no hydrogen 2.697 N/A ARG 7.A NE GLU 5.A OE2 no hydrogen 3.049 N/A ARG 7.A NH2 GLU 5.A OE1 no hydrogen 3.378 N/A ARG 7.A NH2 GLU 5.A OE2 no hydrogen 3.191 N/A HIS 8.A N GLU 5.A O no hydrogen 3.038 N/A LEU 9.A N GLU 6.A O no hydrogen 3.005 N/A LYS 10.A N ARG 26.A O no hydrogen 2.811 N/A LYS 10.A NZ ASP 28.A OD2 no hydrogen 3.069 N/A LYS 10.A NZ ASN 33.A OD1 no hydrogen 2.801 N/A ILE 12.A N LEU 24.A O no hydrogen 2.779 N/A SER 13.A N.A LEU 24.A O no hydrogen 3.193 N/A SER 13.A N.B LEU 24.A O no hydrogen 3.204 N/A SER 13.A OG.A GLN 14.A O no hydrogen 3.312 N/A LEU 15.A N VAL 22.A O no hydrogen 2.704 N/A GLY 16.A N VAL 22.A O no hydrogen 3.230 N/A GLY 18.A N GLY 20.A O no hydrogen 3.028 N/A SER 21.A N GLN 42.A O no hydrogen 3.029 N/A VAL 22.A N GLY 16.A O no hydrogen 2.883 N/A GLU 23.A N VAL 40.A O no hydrogen 2.809 N/A LEU 24.A N SER 13.A O.A no hydrogen 2.700 N/A LEU 24.A N SER 13.A O.B no hydrogen 2.718 N/A CYS 25.A N VAL 38.A O no hydrogen 2.867 N/A ARG 26.A N LYS 10.A O no hydrogen 2.754 N/A ARG 26.A NH1 GLY 35.A O no hydrogen 2.607 N/A TYR 27.A N ALA 36.A O no hydrogen 2.965 N/A ASP 28.A N HIS 8.A O no hydrogen 2.948 N/A ASN 33.A N ASP 28.A OD2 no hydrogen 2.632 N/A THR 34.A N ASP 28.A OD1 no hydrogen 3.214 N/A THR 34.A OG1 ASP 32.A OD2 no hydrogen 2.902 N/A GLY 35.A N ASP 28.A OD1 no hydrogen 2.851 N/A VAL 38.A N CYS 25.A O no hydrogen 2.854 N/A ALA 39.A N MET 78.A O no hydrogen 2.858 N/A VAL 40.A N GLU 23.A O no hydrogen 2.817 N/A LYS 41.A N LEU 76.A O.A no hydrogen 2.750 N/A LYS 41.A N LEU 76.A O.B no hydrogen 2.757 N/A LYS 41.A NZ GLU 52.A OE1 no hydrogen 2.864 N/A LYS 41.A NZ GLU 52.A OE2 no hydrogen 3.270 N/A GLN 42.A N SER 21.A O no hydrogen 3.059 N/A PHE 49.A N GLN 45.A O no hydrogen 3.054 N/A GLN 50.A N GLN 46.A O no hydrogen 3.091 N/A ARG 51.A N ARG 47.A O no hydrogen 2.954 N/A GLU 52.A N ASP 48.A O no hydrogen 2.874 N/A ILE 53.A N PHE 49.A O no hydrogen 2.916 N/A GLN 54.A N GLN 50.A O no hydrogen 3.324 N/A GLN 54.A NE2 GLN 50.A O no hydrogen 2.741 N/A ILE 55.A N ARG 51.A O no hydrogen 3.364 N/A LEU 56.A N GLU 52.A O no hydrogen 3.034 N/A LYS 57.A N ILE 53.A O no hydrogen 2.926 N/A LYS 57.A NZ GLN 54.A OE1 no hydrogen 3.184 N/A ALA 58.A N ILE 55.A O no hydrogen 3.137 N/A LEU 59.A N LEU 56.A O no hydrogen 3.324 N/A HIS 60.A N TYR 115.A OH no hydrogen 2.799 N/A PHE 63.A N SER 61.A OG no hydrogen 3.042 N/A ILE 64.A N.A SER 61.A O no hydrogen 3.375 N/A ILE 64.A N.B SER 61.A O no hydrogen 3.392 N/A VAL 65.A N.A ILE 141.A O no hydrogen 2.893 N/A VAL 65.A N.B ILE 141.A O no hydrogen 2.902 N/A LYS 66.A N GLU 79.A OE2 no hydrogen 2.856 N/A ARG 68.A N VAL 77.A O no hydrogen 2.778 N/A GLY 69.A N VAL 77.A O no hydrogen 3.048 N/A VAL 70.A N THR 2.A O no hydrogen 3.209 N/A SER 71.A N ARG 75.A O no hydrogen 3.044 N/A SER 71.A OG PHE 4.A O no hydrogen 2.743 N/A ARG 75.A N SER 71.A O no hydrogen 2.815 N/A LEU 76.A N.A LYS 41.A O no hydrogen 2.862 N/A LEU 76.A N.B LYS 41.A O no hydrogen 2.868 N/A VAL 77.A N GLY 69.A O no hydrogen 2.815 N/A MET 78.A N ALA 39.A O no hydrogen 2.741 N/A GLU 79.A N LYS 66.A O no hydrogen 2.938 N/A SER 83.A N VAL 133.A O no hydrogen 2.882 N/A GLY 84.A N LEU 81.A O no hydrogen 3.173 N/A CYS 85.A SG ARG 129.A O no hydrogen 3.788 N/A LEU 86.A N ILE 131.A O no hydrogen 2.803 N/A ASP 88.A N CYS 85.A O no hydrogen 3.032 N/A PHE 89.A N CYS 85.A O no hydrogen 2.958 N/A LEU 90.A N LEU 86.A O no hydrogen 2.849 N/A GLN 91.A NE2 ARG 87.A O no hydrogen 3.119 N/A ARG 92.A N ASP 88.A O no hydrogen 3.097 N/A HIS 93.A N PHE 89.A O no hydrogen 3.036 N/A ARG 94.A NH1 ASP 195.A OD1 no hydrogen 3.071 N/A ARG 96.A N HIS 93.A O no hydrogen 2.895 N/A ARG 96.A NH1 ARG 96.A O no hydrogen 3.196 N/A ARG 96.A NH2 GLU 136.A OE1 no hydrogen 2.943 N/A ARG 96.A NH2 GLU 136.A OE2 no hydrogen 3.190 N/A LEU 97.A N ARG 94.A O no hydrogen 3.177 N/A ARG 101.A N ASP 98.A OD1 no hydrogen 3.054 N/A ARG 101.A NH1 TYR 105.A OH no hydrogen 3.395 N/A ARG 101.A NH1 GLU 136.A O no hydrogen 3.130 N/A ARG 101.A NH1 GLU 136.A OE1 no hydrogen 2.809 N/A LEU 102.A N ASP 98.A O no hydrogen 3.299 N/A LEU 103.A N ALA 99.A O no hydrogen 3.001 N/A LEU 104.A N SER 100.A O no hydrogen 3.027 N/A TYR 105.A N ARG 101.A O no hydrogen 2.976 N/A TYR 105.A OH GLU 136.A O no hydrogen 2.561 N/A SER 106.A N LEU 102.A O no hydrogen 2.861 N/A SER 106.A OG LEU 102.A O no hydrogen 2.713 N/A SER 107.A N LEU 103.A O no hydrogen 2.927 N/A SER 107.A OG ASP 266.A OD1 no hydrogen 3.300 N/A GLN 108.A N LEU 104.A O no hydrogen 3.106 N/A GLN 108.A NE2 ALA 137.A O no hydrogen 2.856 N/A ILE 109.A N TYR 105.A O no hydrogen 2.916 N/A CYS 110.A N SER 106.A O no hydrogen 2.894 N/A CYS 110.A SG PHE 258.A O no hydrogen 3.081 N/A LYS 111.A N SER 107.A O no hydrogen 2.906 N/A LYS 111.A NZ ASP 266.A OD1 no hydrogen 2.826 N/A GLY 112.A N GLN 108.A O no hydrogen 2.989 N/A MET 113.A N ILE 109.A O no hydrogen 2.907 N/A GLU 114.A N CYS 110.A O no hydrogen 2.887 N/A TYR 115.A N LYS 111.A O no hydrogen 3.035 N/A LEU 116.A N GLY 112.A O no hydrogen 2.906 N/A GLY 117.A N MET 113.A O no hydrogen 2.951 N/A SER 118.A N GLU 114.A O no hydrogen 2.968 N/A SER 118.A OG TYR 115.A O no hydrogen 2.608 N/A ARG 119.A N TYR 115.A O no hydrogen 3.177 N/A ARG 119.A N LEU 116.A O no hydrogen 3.067 N/A ARG 120.A N GLY 117.A O no hydrogen 3.005 N/A ARG 120.A NE PRO 151.A O no hydrogen 3.306 N/A ARG 120.A NH1 ASP 155.A OD1 no hydrogen 3.392 N/A ARG 120.A NH2 PRO 151.A O no hydrogen 2.885 N/A ARG 120.A NH2 ASP 155.A OD1 no hydrogen 2.761 N/A CYS 121.A N LEU 116.A O no hydrogen 3.037 N/A VAL 122.A N LYS 148.A O no hydrogen 2.801 N/A HIS 123.A N ASP 179.A OD2 no hydrogen 2.800 N/A HIS 123.A NE2 ALA 142.A O no hydrogen 2.830 N/A ARG 124.A N ASP 179.A OD1 no hydrogen 2.887 N/A ARG 124.A NE TYR 164.A OH no hydrogen 2.815 N/A ARG 124.A NH2 TYR 164.A OH no hydrogen 3.115 N/A ALA 125.A N HIS 123.A O no hydrogen 2.830 N/A ALA 127.A N ASN 130.A OD1 no hydrogen 3.089 N/A ALA 128.A N GLU 189.A OE2 no hydrogen 2.829 N/A ASN 130.A N ALA 127.A O no hydrogen 2.992 N/A ASN 130.A ND2 ALA 125.A O no hydrogen 2.832 N/A ILE 131.A N ALA 128.A O no hydrogen 3.206 N/A LEU 132.A N LYS 140.A O no hydrogen 2.872 N/A VAL 133.A N GLY 84.A O no hydrogen 2.691 N/A GLU 134.A N HIS 138.A O no hydrogen 2.812 N/A SER 135.A N HIS 138.A O no hydrogen 3.250 N/A HIS 138.A N SER 135.A O no hydrogen 3.004 N/A VAL 139.A N GLN 108.A OE1 no hydrogen 3.037 N/A LYS 140.A N LEU 132.A O no hydrogen 2.881 N/A LYS 140.A NZ GLU 79.A OE1 no hydrogen 3.361 N/A LYS 140.A NZ GLU 79.A OE2 no hydrogen 2.822 N/A LYS 140.A NZ GLU 134.A OE1 no hydrogen 3.413 N/A ILE 141.A N PHE 63.A O no hydrogen 2.844 N/A ALA 142.A N ASN 130.A O no hydrogen 2.952 N/A GLY 145.A N ASP 143.A OD1 no hydrogen 3.386 N/A ALA 147.A N PHE 144.A O no hydrogen 3.072 N/A LYS 148.A N VAL 122.A O no hydrogen 2.889 N/A LEU 150.A N ARG 120.A O no hydrogen 2.771 N/A TYR 157.A N PHE 174.A O no hydrogen 3.022 N/A VAL 159.A N ASN 172.A O no hydrogen 2.985 N/A TRP 163.A NE1 GLU 189.A OE2 no hydrogen 2.811 N/A TYR 164.A N ILE 161.A O no hydrogen 3.158 N/A GLU 167.A N GLU 167.A OE2 no hydrogen 2.869 N/A SER 168.A N ALA 165.A O no hydrogen 3.013 N/A SER 168.A OG ILE 173.A O no hydrogen 2.655 N/A LEU 169.A N ALA 165.A O no hydrogen 3.158 N/A SER 170.A N PRO 166.A O no hydrogen 2.748 N/A SER 170.A OG PRO 166.A O no hydrogen 3.143 N/A SER 170.A OG ASP 171.A OD2 no hydrogen 2.859 N/A ASP 171.A N GLU 167.A O no hydrogen 2.865 N/A ASN 172.A N SER 168.A O no hydrogen 3.043 N/A ILE 173.A N GLU 167.A O no hydrogen 3.261 N/A PHE 174.A N TYR 157.A O no hydrogen 2.934 N/A SER 175.A N SER 178.A OG no hydrogen 2.838 N/A ARG 176.A NH1 GLY 117.A O no hydrogen 3.177 N/A GLN 177.A N SER 175.A OG no hydrogen 3.108 N/A GLN 177.A NE2 SER 175.A OG no hydrogen 3.310 N/A SER 178.A N SER 175.A OG no hydrogen 3.118 N/A SER 178.A OG SER 175.A O no hydrogen 2.897 N/A ASP 179.A N SER 175.A O no hydrogen 3.103 N/A VAL 180.A N ARG 176.A O no hydrogen 3.078 N/A TRP 181.A N GLN 177.A O no hydrogen 3.316 N/A SER 182.A N SER 178.A O no hydrogen 3.010 N/A SER 182.A OG TRP 163.A O no hydrogen 2.723 N/A SER 182.A OG SER 178.A O no hydrogen 3.326 N/A PHE 183.A N ASP 179.A O no hydrogen 2.884 N/A GLY 184.A N VAL 180.A O no hydrogen 3.072 N/A VAL 185.A N TRP 181.A O no hydrogen 3.279 N/A VAL 186.A N SER 182.A O no hydrogen 2.952 N/A LEU 187.A N PHE 183.A O no hydrogen 2.892 N/A TYR 188.A N GLY 184.A O no hydrogen 3.044 N/A TYR 188.A OH CYS 198.A O no hydrogen 2.503 N/A GLU 189.A N VAL 185.A O no hydrogen 2.817 N/A LEU 190.A N VAL 186.A O no hydrogen 2.837 N/A PHE 191.A N LEU 187.A O no hydrogen 3.024 N/A THR 192.A N TYR 188.A O no hydrogen 3.089 N/A THR 192.A N GLU 189.A O no hydrogen 3.154 N/A THR 192.A OG1 GLU 189.A O no hydrogen 2.765 N/A TYR 193.A N LEU 190.A O no hydrogen 2.852 N/A CYS 194.A N GLU 189.A O no hydrogen 2.972 N/A CYS 194.A SG GLU 189.A O no hydrogen 3.927 N/A ASP 195.A N THR 192.A O no hydrogen 3.037 N/A SER 197.A OG ASP 195.A OD2 no hydrogen 2.547 N/A CYS 198.A N ASP 195.A OD2 no hydrogen 3.132 N/A SER 199.A N LYS 196.A O no hydrogen 3.320 N/A SER 199.A OG LYS 196.A O no hydrogen 3.338 N/A SER 199.A OG SER 201.A OG no hydrogen 2.847 N/A SER 201.A OG SER 199.A OG no hydrogen 2.847 N/A ALA 202.A N SER 199.A OG no hydrogen 2.967 N/A GLU 203.A N SER 199.A O no hydrogen 2.859 N/A PHE 204.A N PRO 200.A O no hydrogen 2.898 N/A LEU 205.A N SER 201.A O no hydrogen 2.874 N/A ARG 206.A N ALA 202.A O no hydrogen 3.101 N/A ARG 206.A NH1 SER 197.A O no hydrogen 2.864 N/A ARG 206.A NH2 SER 197.A O no hydrogen 2.760 N/A ARG 206.A NH2 GLU 203.A OE2 no hydrogen 2.938 N/A MET 207.A N GLU 203.A O no hydrogen 2.882 N/A MET 208.A N PHE 204.A O no hydrogen 2.912 N/A GLY 209.A N ARG 206.A O no hydrogen 3.021 N/A SER 210.A N LEU 205.A O no hydrogen 2.890 N/A SER 210.A OG ARG 212.A O no hydrogen 3.400 N/A ARG 212.A N SER 210.A OG no hydrogen 3.291 N/A LEU 220.A N ALA 216.A O no hydrogen 3.221 N/A LEU 221.A N LEU 217.A O no hydrogen 3.015 N/A GLU 222.A N SER 218.A O no hydrogen 3.051 N/A LEU 223.A N ARG 219.A O no hydrogen 3.092 N/A LEU 224.A N LEU 220.A O no hydrogen 2.997 N/A GLU 225.A N LEU 221.A O no hydrogen 2.850 N/A GLU 226.A N GLU 222.A O no hydrogen 3.038 N/A GLY 227.A N LEU 224.A O no hydrogen 2.974 N/A GLN 228.A N LEU 223.A O no hydrogen 3.155 N/A GLN 228.A NE2 GLU 226.A OE2 no hydrogen 2.795 N/A ARG 229.A NE TRP 248.A O no hydrogen 3.012 N/A ARG 229.A NH1 TRP 248.A O no hydrogen 2.966 N/A ARG 229.A NH2 LEU 224.A O no hydrogen 2.889 N/A ARG 229.A NH2 GLN 228.A O no hydrogen 2.812 N/A CYS 236.A N PRO 233.A O no hydrogen 2.999 N/A CYS 236.A SG PRO 237.A O no hydrogen 3.444 N/A GLU 239.A N GLU 239.A OE1 no hydrogen 2.893 N/A VAL 240.A N PRO 237.A O no hydrogen 2.954 N/A HIS 241.A N PRO 237.A O no hydrogen 3.148 N/A GLU 242.A N ALA 238.A O no hydrogen 2.985 N/A LEU 243.A N GLU 239.A O no hydrogen 3.194 N/A MET 244.A N VAL 240.A O no hydrogen 2.916 N/A LYS 245.A N HIS 241.A O no hydrogen 2.989 N/A LYS 245.A NZ GLU 242.A OE2 no hydrogen 2.747 N/A LEU 246.A N GLU 242.A O no hydrogen 3.110 N/A CYS 247.A N LEU 243.A O no hydrogen 3.106 N/A CYS 247.A SG LEU 243.A O no hydrogen 3.432 N/A TRP 248.A N MET 244.A O no hydrogen 3.077 N/A TRP 248.A N LYS 245.A O no hydrogen 3.196 N/A ALA 249.A N LEU 246.A O no hydrogen 3.037 N/A GLN 253.A N GLN 253.A OE1 no hydrogen 2.839 N/A ASP 254.A N SER 251.A O no hydrogen 2.934 N/A ARG 255.A N PRO 252.A O no hydrogen 3.161 N/A ARG 255.A NE ALA 249.A O no hydrogen 2.879 N/A ARG 255.A NH1 GLU 167.A OE2 no hydrogen 2.914 N/A ARG 255.A NH1 ALA 249.A O no hydrogen 3.287 N/A ARG 255.A NH1 PRO 250.A O no hydrogen 3.186 N/A ARG 255.A NH2 GLU 167.A OE1 no hydrogen 2.861 N/A ARG 255.A NH2 GLN 177.A O no hydrogen 2.960 N/A SER 257.A OG SER 259.A OG no hydrogen 2.786 N/A SER 259.A OG SER 257.A OG no hydrogen 2.786 N/A ALA 260.A N SER 257.A O no hydrogen 3.175 N/A ALA 260.A N SER 257.A OG no hydrogen 3.106 N/A LEU 261.A N SER 257.A O no hydrogen 3.008 N/A GLY 262.A N PHE 258.A O no hydrogen 2.994 N/A LEU 265.A N LEU 261.A O no hydrogen 3.078 N/A ASP 266.A N GLY 262.A O no hydrogen 2.969 N/A MET 267.A N PRO 263.A O no hydrogen 2.844 N/A LEU 268.A N GLN 264.A O no hydrogen 3.213 N/A TRP 269.A N LEU 265.A O no hydrogen 3.103 N/A SER 270.A N ASP 266.A O no hydrogen 2.835 N/A