Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1xqp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A NE2 ALA 180.A O no hydrogen 2.927 N/A LEU 5.A N ALA 1.A O no hydrogen 2.866 N/A LYS 6.A N GLU 2.A O no hydrogen 3.000 N/A LYS 6.A NZ GLU 10.A OE1 no hydrogen 3.155 N/A LYS 6.A NZ GLU 10.A OE2 no hydrogen 3.178 N/A ARG 7.A N SER 3.A O no hydrogen 3.108 N/A VAL 8.A N GLN 4.A O no hydrogen 2.910 N/A ILE 9.A N LEU 5.A O no hydrogen 3.025 N/A GLU 10.A N LYS 6.A O no hydrogen 3.004 N/A THR 11.A N ARG 7.A O no hydrogen 2.993 N/A THR 11.A OG1 ARG 7.A O no hydrogen 2.795 N/A LEU 12.A N VAL 8.A O no hydrogen 3.044 N/A ARG 13.A N ILE 9.A O no hydrogen 2.907 N/A ARG 13.A NH2 GLU 207.A O no hydrogen 2.986 N/A ARG 14.A N THR 11.A O no hydrogen 3.044 N/A ARG 14.A NE GLU 238.A OE2 no hydrogen 3.042 N/A ARG 14.A NH2 GLU 238.A OE2 no hydrogen 3.244 N/A LEU 15.A N LEU 12.A O no hydrogen 2.999 N/A VAL 20.A N GLY 16.A O no hydrogen 3.261 N/A LEU 21.A N ILE 17.A O no hydrogen 2.941 N/A LYS 22.A N GLU 18.A O no hydrogen 3.095 N/A LEU 23.A N GLU 19.A O no hydrogen 2.863 N/A GLU 24.A N VAL 20.A O no hydrogen 2.879 N/A ARG 25.A N LYS 22.A O no hydrogen 3.168 N/A ARG 25.A NH2 VAL 157.A O no hydrogen 2.973 N/A ARG 26.A N LEU 23.A O no hydrogen 3.167 N/A ASP 27.A N GLU 24.A O no hydrogen 3.097 N/A GLN 29.A N ASP 27.A OD1 no hydrogen 2.933 N/A GLN 29.A NE2 ASP 27.A OD1 no hydrogen 3.502 N/A GLN 29.A NE2 ASP 27.A OD2 no hydrogen 3.256 N/A TYR 30.A N ASP 27.A O no hydrogen 2.920 N/A ARG 31.A N ASP 27.A O no hydrogen 3.481 N/A ALA 32.A N PRO 28.A O no hydrogen 3.231 N/A VAL 33.A N GLN 29.A O no hydrogen 3.064 N/A CYS 34.A N TYR 30.A O no hydrogen 2.878 N/A ASN 35.A N ARG 31.A O no hydrogen 2.867 N/A VAL 36.A N ALA 32.A O no hydrogen 3.182 N/A VAL 37.A N VAL 33.A O no hydrogen 2.978 N/A LYS 38.A N CYS 34.A O no hydrogen 2.889 N/A ARG 39.A N ASN 35.A O no hydrogen 3.161 N/A ARG 39.A NH1 ARG 39.A O no hydrogen 3.217 N/A ARG 39.A NH2 GLU 78.A OE1 no hydrogen 3.045 N/A HIS 40.A N VAL 36.A O no hydrogen 2.926 N/A HIS 40.A NE2 PHE 74.A O no hydrogen 2.823 N/A GLY 41.A N VAL 37.A O no hydrogen 2.821 N/A GLY 45.A N GLY 41.A O no hydrogen 2.926 N/A SER 46.A N GLU 42.A O no hydrogen 2.983 N/A SER 46.A OG GLU 42.A O no hydrogen 2.935 N/A SER 46.A OG THR 43.A O no hydrogen 3.183 N/A ARG 47.A N THR 43.A O no hydrogen 3.057 N/A ARG 47.A NH2 CYS 111.A O no hydrogen 2.995 N/A LEU 48.A N VAL 44.A O no hydrogen 2.965 N/A ALA 49.A N GLY 45.A O no hydrogen 2.996 N/A MET 50.A N SER 46.A O no hydrogen 2.875 N/A LEU 51.A N ARG 47.A O no hydrogen 3.023 N/A ASN 52.A N LEU 48.A O no hydrogen 2.983 N/A ALA 53.A N ALA 49.A O no hydrogen 3.029 N/A LEU 54.A N MET 50.A O no hydrogen 2.991 N/A ILE 55.A N LEU 51.A O no hydrogen 3.322 N/A ILE 55.A N ASN 52.A O no hydrogen 3.301 N/A SER 56.A N ALA 53.A O no hydrogen 3.104 N/A SER 56.A OG ASN 52.A O no hydrogen 2.597 N/A SER 56.A OG HIS 66.A NE2 no hydrogen 2.792 N/A TYR 57.A N ILE 55.A O no hydrogen 3.031 N/A THR 60.A OG1 PRO 94.A O no hydrogen 3.385 N/A GLU 64.A N GLU 64.A OE1 no hydrogen 2.815 N/A HIS 66.A N LYS 62.A O no hydrogen 3.164 N/A HIS 66.A NE2 SER 56.A OG no hydrogen 2.792 N/A TRP 67.A N GLY 63.A O no hydrogen 3.110 N/A GLU 68.A N GLU 64.A O no hydrogen 3.023 N/A TYR 69.A N GLU 65.A O no hydrogen 3.089 N/A PHE 70.A N HIS 66.A O no hydrogen 3.046 N/A GLY 71.A N TRP 67.A O no hydrogen 3.001 N/A LYS 72.A N GLU 68.A O no hydrogen 3.076 N/A TYR 73.A N TYR 69.A O no hydrogen 2.963 N/A PHE 74.A N PHE 70.A O no hydrogen 3.181 N/A SER 75.A N GLY 71.A O no hydrogen 2.993 N/A SER 75.A OG GLY 71.A O no hydrogen 2.619 N/A GLN 76.A NE2 LYS 72.A O no hydrogen 3.065 N/A ILE 80.A N ASP 85.A OD2 no hydrogen 2.813 N/A ARG 84.A N ASP 81.A OD2 no hydrogen 3.010 N/A ASP 85.A N ASP 81.A O no hydrogen 2.955 N/A PHE 86.A N LEU 82.A O no hydrogen 2.993 N/A LEU 87.A N CYS 83.A O no hydrogen 2.960 N/A LYS 88.A N ARG 84.A O no hydrogen 2.968 N/A TYR 89.A N ASP 85.A O no hydrogen 3.040 N/A ILE 90.A N PHE 86.A O no hydrogen 2.975 N/A GLU 91.A N LEU 87.A O no hydrogen 3.163 N/A THR 92.A N LYS 88.A O no hydrogen 3.199 N/A THR 92.A N TYR 89.A O no hydrogen 3.156 N/A THR 92.A OG1 LYS 88.A O no hydrogen 3.021 N/A SER 93.A N TYR 89.A O no hydrogen 3.047 N/A PHE 95.A N SER 93.A OG no hydrogen 3.098 N/A LEU 96.A N SER 93.A O no hydrogen 3.182 N/A ARG 103.A N GLY 99.A O no hydrogen 3.184 N/A ARG 103.A NE LEU 96.A O no hydrogen 3.008 N/A ARG 103.A NE ILE 98.A O no hydrogen 3.049 N/A ARG 103.A NH1 TYR 57.A O no hydrogen 2.885 N/A ARG 103.A NH2 TYR 57.A O no hydrogen 3.181 N/A ARG 103.A NH2 ARG 58.A O no hydrogen 3.073 N/A ARG 103.A NH2 ILE 98.A O no hydrogen 2.902 N/A LYS 104.A N VAL 100.A O no hydrogen 2.933 N/A LYS 104.A NZ GLU 91.A OE2 no hydrogen 2.736 N/A LYS 105.A N GLU 101.A O no hydrogen 2.974 N/A ARG 106.A N ALA 102.A O no hydrogen 3.009 N/A ARG 106.A NH1 LEU 54.A O no hydrogen 3.338 N/A ALA 107.A N ARG 103.A O no hydrogen 2.917 N/A LEU 108.A N LYS 104.A O no hydrogen 2.812 N/A LYS 109.A N LYS 105.A O no hydrogen 3.278 N/A ALA 110.A N ALA 107.A O no hydrogen 3.123 N/A CYS 111.A N ALA 107.A O no hydrogen 2.773 N/A CYS 111.A SG ALA 107.A O no hydrogen 3.492 N/A TYR 113.A N ALA 110.A O no hydrogen 2.981 N/A ASN 116.A N THR 123.A OG1 no hydrogen 3.018 N/A GLU 118.A N ASN 116.A OD1 no hydrogen 3.081 N/A ASP 119.A N ASN 116.A OD1 no hydrogen 3.092 N/A LEU 122.A N ASP 119.A OD1 no hydrogen 3.023 N/A THR 123.A N ASP 119.A O no hydrogen 3.092 N/A THR 123.A OG1 ASN 116.A O no hydrogen 2.931 N/A THR 123.A OG1 ASP 119.A O no hydrogen 3.234 N/A LEU 124.A N LEU 120.A O no hydrogen 2.904 N/A ARG 125.A N GLY 121.A O no hydrogen 3.259 N/A GLN 126.A N LEU 122.A O no hydrogen 3.012 N/A GLN 126.A NE2 TYR 113.A OH no hydrogen 2.706 N/A LEU 127.A N THR 123.A O no hydrogen 2.827 N/A SER 128.A N LEU 124.A O no hydrogen 2.971 N/A SER 128.A OG ALA 133.A O no hydrogen 2.876 N/A HIS 129.A N ARG 125.A O no hydrogen 3.341 N/A HIS 129.A ND1 ARG 125.A O no hydrogen 2.949 N/A ILE 130.A N GLN 126.A O no hydrogen 2.994 N/A VAL 131.A N LEU 127.A O no hydrogen 2.926 N/A GLY 132.A N SER 128.A O no hydrogen 2.954 N/A ALA 133.A N SER 128.A O no hydrogen 3.103 N/A ARG 135.A NH1 GLU 136.A OE2 no hydrogen 3.343 N/A ARG 135.A NH2 ASP 164.A O no hydrogen 2.882 N/A GLN 137.A N ARG 134.A O no hydrogen 2.993 N/A THR 139.A N GLN 137.A OE1 no hydrogen 2.771 N/A THR 139.A OG1.B GLN 137.A OE1 no hydrogen 3.438 N/A LEU 140.A N GLN 137.A OE1 no hydrogen 3.324 N/A VAL 141.A N GLN 137.A O no hydrogen 3.260 N/A PHE 142.A N LYS 138.A O no hydrogen 3.059 N/A THR 143.A N THR 139.A O no hydrogen 3.086 N/A THR 143.A OG1 THR 139.A O no hydrogen 2.823 N/A ILE 144.A N LEU 140.A O no hydrogen 3.232 N/A LYS 145.A N VAL 141.A O no hydrogen 3.205 N/A LYS 145.A NZ ASP 216.A OD2 no hydrogen 2.708 N/A LYS 145.A NZ THR 217.A OG1 no hydrogen 2.922 N/A ILE 146.A N PHE 142.A O no hydrogen 2.933 N/A LEU 147.A N THR 143.A O no hydrogen 2.895 N/A ASN 148.A N ILE 144.A O no hydrogen 2.978 N/A ASN 148.A ND2 ARG 159.A O no hydrogen 2.923 N/A TYR 149.A N LYS 145.A O no hydrogen 3.056 N/A TYR 149.A OH ASP 27.A OD2 no hydrogen 2.672 N/A ALA 150.A N ILE 146.A O no hydrogen 3.075 N/A TYR 151.A N LEU 147.A O no hydrogen 2.976 N/A MET 152.A N ASN 148.A O no hydrogen 2.865 N/A CYS 153.A N TYR 149.A O no hydrogen 3.010 N/A CYS 153.A SG CYS 34.A O no hydrogen 3.612 N/A SER 154.A N ALA 150.A O no hydrogen 3.022 N/A SER 154.A OG GLU 42.A OE1 no hydrogen 2.652 N/A ARG 155.A N TYR 151.A O no hydrogen 2.996 N/A ARG 155.A NE GLU 42.A OE1 no hydrogen 2.672 N/A ARG 155.A NH1 GLU 118.A OE2 no hydrogen 3.406 N/A ARG 155.A NH2 GLU 42.A OE2 no hydrogen 3.049 N/A GLY 156.A N MET 152.A O no hydrogen 2.778 N/A VAL 157.A N MET 152.A O no hydrogen 3.295 N/A ARG 159.A NE ASN 148.A OD1 no hydrogen 2.895 N/A ARG 159.A NH1 LEU 117.A O no hydrogen 2.911 N/A ARG 159.A NH2 LEU 117.A O no hydrogen 2.922 N/A ARG 159.A NH2 ASN 148.A OD1 no hydrogen 2.953 N/A LEU 161.A N HIS 214.A NE2 no hydrogen 3.007 N/A TYR 171.A OH GLU 188.A OE2 no hydrogen 2.726 N/A ARG 172.A N ASP 170.A OD2 no hydrogen 3.010 N/A ARG 172.A NH1 GLU 64.A OE2 no hydrogen 2.959 N/A ARG 172.A NH1 TRP 220.A O no hydrogen 2.996 N/A ARG 172.A NH2 GLU 64.A OE1 no hydrogen 2.868 N/A ARG 172.A NH2 GLU 64.A OE2 no hydrogen 3.429 N/A VAL 173.A N ASP 170.A OD1 no hydrogen 3.002 N/A ALA 174.A N ASP 170.A O no hydrogen 2.923 N/A ARG 175.A N TYR 171.A O no hydrogen 3.106 N/A ARG 175.A NE TYR 171.A O no hydrogen 3.190 N/A LEU 176.A N ARG 172.A O no hydrogen 3.012 N/A THR 177.A N VAL 173.A O no hydrogen 2.974 N/A THR 177.A OG1 VAL 173.A O no hydrogen 2.752 N/A TRP 178.A N ALA 174.A O no hydrogen 3.102 N/A CYS 179.A N ARG 175.A O no hydrogen 2.741 N/A CYS 179.A SG ARG 175.A O no hydrogen 3.380 N/A ALA 180.A N LEU 176.A O no hydrogen 2.912 N/A GLY 181.A N TRP 178.A O no hydrogen 3.004 N/A LEU 182.A N THR 177.A O no hydrogen 3.102 N/A ALA 190.A N PRO 186.A O no hydrogen 3.001 N/A LEU 191.A N PRO 187.A O no hydrogen 3.165 N/A ARG 192.A N GLU 189.A O no hydrogen 2.938 N/A ARG 193.A N GLU 189.A O no hydrogen 2.908 N/A ARG 193.A NH1 GLU 189.A OE2 no hydrogen 3.036 N/A ALA 196.A N ARG 193.A O no hydrogen 3.086 N/A GLN 198.A N TYR 194.A O no hydrogen 2.850 N/A GLN 198.A NE2 GLU 136.A O no hydrogen 2.952 N/A GLN 198.A NE2 ILE 167.A O no hydrogen 2.876 N/A LYS 199.A N GLU 195.A O no hydrogen 2.921 N/A ILE 200.A N ALA 196.A O no hydrogen 3.299 N/A TRP 201.A N VAL 197.A O no hydrogen 3.254 N/A TRP 201.A NE1 THR 177.A OG1 no hydrogen 2.994 N/A ASP 202.A N GLN 198.A O no hydrogen 2.898 N/A ALA 203.A N LYS 199.A O no hydrogen 3.178 N/A VAL 204.A N ILE 200.A O no hydrogen 3.076 N/A ALA 205.A N TRP 201.A O no hydrogen 2.864 N/A ARG 206.A N ASP 202.A O no hydrogen 2.959 N/A GLU 207.A N ALA 203.A O no hydrogen 3.221 N/A THR 208.A N VAL 204.A O no hydrogen 3.031 N/A THR 208.A OG1 VAL 204.A O no hydrogen 2.750 N/A THR 208.A OG1 ALA 205.A O no hydrogen 3.489 N/A GLY 209.A N ALA 205.A O no hydrogen 2.908 N/A ILE 210.A N THR 208.A OG1 no hydrogen 3.303 N/A HIS 214.A N PRO 211.A O no hydrogen 2.911 N/A HIS 214.A ND1 GLU 24.A OE1 no hydrogen 2.950 N/A LEU 215.A N PRO 211.A O no hydrogen 2.997 N/A ASP 216.A N PRO 212.A O no hydrogen 2.955 N/A THR 217.A OG1 GLU 24.A OE1 no hydrogen 2.797 N/A LEU 218.A N HIS 214.A O no hydrogen 3.401 N/A LEU 219.A N LEU 215.A O no hydrogen 3.010 N/A TRP 220.A N ASP 216.A O no hydrogen 2.995 N/A TRP 220.A NE1 ASP 170.A OD1 no hydrogen 3.314 N/A LEU 221.A N THR 217.A O no hydrogen 2.963 N/A ALA 222.A N LEU 218.A O no hydrogen 2.893 N/A GLY 223.A N LEU 219.A O no hydrogen 2.729 N/A ARG 224.A N TRP 220.A O no hydrogen 3.185 N/A ARG 224.A NE GLU 230.A OE1 no hydrogen 2.811 N/A ARG 224.A NH2 GLU 230.A OE1 no hydrogen 3.197 N/A ALA 225.A N ALA 222.A O no hydrogen 3.071 N/A VAL 226.A N ALA 222.A O no hydrogen 2.915 N/A LEU 227.A N GLY 223.A O no hydrogen 2.945 N/A TYR 228.A N ARG 224.A O no hydrogen 3.330 N/A GLY 229.A N ALA 225.A O no hydrogen 3.030 N/A GLU 230.A N ARG 224.A O no hydrogen 3.187 N/A GLY 234.A N ASN 231.A O no hydrogen 3.125 N/A GLU 238.A N GLU 238.A OE1 no hydrogen 2.813 N/A VAL 239.A N PRO 236.A O no hydrogen 3.003 N/A ILE 240.A N PRO 236.A O no hydrogen 3.373 N/A ALA 241.A N LYS 237.A O no hydrogen 3.100 N/A LEU 242.A N VAL 239.A O no hydrogen 3.175 N/A PHE 243.A N ILE 240.A O no hydrogen 3.010 N/A GLN 244.A N ALA 241.A O no hydrogen 3.141 N/A GLN 244.A NE2 CYS 249.A O no hydrogen 3.247 N/A ARG 246.A N CYS 179.A O no hydrogen 3.116 N/A ARG 246.A NE TRP 178.A O no hydrogen 2.764 N/A ARG 246.A NH2 ILE 183.A O no hydrogen 2.933 N/A CYS 249.A N ARG 246.A O no hydrogen 3.260 N/A ARG 250.A NH1 ARG 246.A O no hydrogen 3.387 N/A ARG 250.A NH1 CYS 249.A O no hydrogen 3.331 N/A