Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4erw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N ARG 22.A O no hydrogen 3.053 N/A VAL 7.A N LYS 20.A O no hydrogen 2.792 N/A ILE 10.A N VAL 18.A O no hydrogen 2.874 N/A GLY 11.A N VAL 18.A O no hydrogen 3.287 N/A GLY 13.A N GLY 16.A O no hydrogen 2.624 N/A VAL 17.A N LYS 34.A O no hydrogen 3.252 N/A VAL 18.A N GLY 11.A O no hydrogen 2.792 N/A TYR 19.A N LEU 32.A O no hydrogen 2.832 N/A LYS 20.A N GLU 8.A O no hydrogen 2.850 N/A ALA 21.A N VAL 30.A O no hydrogen 2.850 N/A ARG 22.A N GLN 5.A O no hydrogen 3.140 N/A ASN 23.A N GLU 28.A O no hydrogen 2.757 N/A LYS 24.A N ASN 3.A O no hydrogen 2.623 N/A LEU 25.A N ASN 23.A OD1 no hydrogen 3.054 N/A THR 26.A N ASN 23.A OD1 no hydrogen 2.894 N/A GLY 27.A N ASN 23.A O no hydrogen 2.754 N/A GLU 28.A N THR 26.A OG1 no hydrogen 3.242 N/A VAL 30.A N ALA 21.A O no hydrogen 2.747 N/A ALA 31.A N PHE 75.A O no hydrogen 2.897 N/A LEU 32.A N TYR 19.A O no hydrogen 2.667 N/A LYS 33.A N LEU 73.A O no hydrogen 2.880 N/A LYS 34.A N VAL 17.A O no hydrogen 2.866 N/A LYS 34.A NZ TYR 72.A OH no hydrogen 2.968 N/A ILE 35.A N LEU 71.A O no hydrogen 2.918 N/A LEU 37.A N ASN 69.A O no hydrogen 2.978 N/A ILE 44.A N PRO 40.A O no hydrogen 2.544 N/A ARG 45.A N SER 41.A O no hydrogen 3.418 N/A ILE 47.A N ALA 43.A O no hydrogen 2.879 N/A SER 48.A N ILE 44.A O no hydrogen 3.469 N/A SER 48.A OG ILE 44.A O no hydrogen 3.093 N/A LEU 49.A N ARG 45.A O no hydrogen 3.170 N/A LEU 50.A N GLU 46.A O no hydrogen 3.410 N/A GLU 52.A N LEU 49.A O no hydrogen 2.709 N/A LEU 53.A N LEU 50.A O no hydrogen 3.166 N/A ASN 57.A N HIS 55.A ND1 no hydrogen 2.931 N/A ASN 57.A ND2 GLN 105.A OE1 no hydrogen 3.046 N/A ASN 57.A ND2 ILE 136.A O no hydrogen 3.031 N/A ILE 58.A N HIS 55.A O no hydrogen 2.923 N/A VAL 59.A N LEU 138.A O no hydrogen 2.994 N/A LYS 60.A N GLU 76.A OE2 no hydrogen 2.849 N/A LYS 60.A NZ ASN 54.A OD1 no hydrogen 2.686 N/A LYS 60.A NZ LEU 61.A O no hydrogen 3.089 N/A LEU 62.A N VAL 74.A O no hydrogen 2.607 N/A ASP 63.A N VAL 74.A O no hydrogen 3.190 N/A ILE 65.A N TYR 72.A O no hydrogen 2.854 N/A THR 67.A N LYS 70.A O no hydrogen 2.867 N/A LYS 70.A N THR 67.A O no hydrogen 2.668 N/A LEU 71.A N ILE 35.A O no hydrogen 2.817 N/A TYR 72.A N ILE 65.A O no hydrogen 2.783 N/A LEU 73.A N LYS 33.A O no hydrogen 2.959 N/A VAL 74.A N ASP 63.A O no hydrogen 2.813 N/A PHE 75.A N ALA 31.A O no hydrogen 2.831 N/A GLU 76.A N LYS 60.A O no hydrogen 2.952 N/A HIS 79.A N ILE 130.A O no hydrogen 3.290 N/A GLN 80.A NE2 ARG 291.A O no hydrogen 3.646 N/A LEU 82.A N LEU 128.A O no hydrogen 2.730 N/A LYS 84.A N ASP 81.A OD1 no hydrogen 2.955 N/A PHE 85.A N ASP 81.A O no hydrogen 3.300 N/A MET 86.A N LEU 82.A O no hydrogen 2.818 N/A ASP 87.A N LYS 83.A O no hydrogen 2.966 N/A ALA 88.A N LYS 84.A O no hydrogen 2.969 N/A SER 89.A N MET 86.A O no hydrogen 3.153 N/A SER 89.A OG PHE 85.A O no hydrogen 2.915 N/A ALA 90.A N ASP 87.A O no hydrogen 3.430 N/A GLY 93.A N SER 89.A O no hydrogen 2.687 N/A LEU 98.A N PRO 95.A O no hydrogen 2.857 N/A ILE 99.A N PRO 95.A O no hydrogen 3.047 N/A LYS 100.A N LEU 96.A O no hydrogen 2.774 N/A LYS 100.A NZ PHE 279.A O no hydrogen 3.138 N/A LYS 100.A NZ ASP 282.A OD1 no hydrogen 2.602 N/A LYS 100.A NZ ASP 282.A OD2 no hydrogen 3.463 N/A SER 101.A N PRO 97.A O no hydrogen 3.030 N/A SER 101.A OG THR 284.A O no hydrogen 3.261 N/A TYR 102.A N LEU 98.A O no hydrogen 2.896 N/A LEU 103.A N ILE 99.A O no hydrogen 2.905 N/A PHE 104.A N LYS 100.A O no hydrogen 2.973 N/A GLN 105.A N SER 101.A O no hydrogen 2.986 N/A GLN 105.A NE2 SER 101.A O no hydrogen 3.454 N/A GLN 105.A NE2 SER 101.A OG no hydrogen 3.138 N/A GLN 105.A NE2 GLY 134.A O no hydrogen 2.829 N/A LEU 106.A N TYR 102.A O no hydrogen 2.957 N/A LEU 107.A N LEU 103.A O no hydrogen 2.950 N/A GLN 108.A N PHE 104.A O no hydrogen 2.973 N/A GLY 109.A N GLN 105.A O no hydrogen 2.874 N/A LEU 110.A N LEU 106.A O no hydrogen 2.767 N/A ALA 111.A N LEU 107.A O no hydrogen 2.821 N/A PHE 112.A N GLN 108.A O no hydrogen 3.021 N/A CYS 113.A N GLY 109.A O no hydrogen 3.025 N/A CYS 113.A SG GLY 109.A O no hydrogen 3.377 N/A HIS 114.A N LEU 110.A O no hydrogen 2.763 N/A HIS 114.A NE2 ASP 179.A OD2 no hydrogen 2.915 N/A SER 115.A N ALA 111.A O no hydrogen 3.036 N/A SER 115.A OG ALA 111.A O no hydrogen 3.180 N/A SER 115.A OG PHE 112.A O no hydrogen 2.908 N/A HIS 116.A N PHE 112.A O no hydrogen 3.139 N/A HIS 116.A N CYS 113.A O no hydrogen 2.850 N/A HIS 116.A ND1 PHE 112.A O no hydrogen 2.853 N/A ARG 117.A N HIS 114.A O no hydrogen 3.188 N/A VAL 118.A N CYS 113.A O no hydrogen 2.887 N/A HIS 120.A N ASP 179.A OD2 no hydrogen 2.837 N/A HIS 120.A NE2 ALA 139.A O no hydrogen 2.777 N/A ARG 121.A N ASP 179.A OD1 no hydrogen 2.878 N/A ARG 121.A NE GLY 142.A O no hydrogen 3.205 N/A ARG 121.A NH2 GLY 142.A O no hydrogen 2.942 N/A ASP 122.A N HIS 120.A ND1 no hydrogen 3.084 N/A LYS 124.A NZ ASP 122.A OD1 no hydrogen 3.269 N/A LYS 124.A NZ ASP 122.A OD2 no hydrogen 2.776 N/A GLN 126.A N GLN 126.A OE1 no hydrogen 2.773 N/A ASN 127.A N LYS 124.A O no hydrogen 2.771 N/A ASN 127.A ND2 ASP 122.A O no hydrogen 2.825 N/A LEU 128.A N PRO 125.A O no hydrogen 3.134 N/A LEU 129.A N LYS 137.A O no hydrogen 2.931 N/A ILE 130.A N GLN 80.A O no hydrogen 2.819 N/A ASN 131.A N ALA 135.A O no hydrogen 3.207 N/A THR 132.A N HIS 79.A ND1 no hydrogen 2.954 N/A GLU 133.A N ASN 131.A OD1 no hydrogen 3.061 N/A GLY 134.A N ASN 131.A O no hydrogen 3.467 N/A ALA 135.A N ASN 131.A OD1 no hydrogen 2.980 N/A ILE 136.A N GLN 105.A OE1 no hydrogen 3.036 N/A LYS 137.A N LEU 129.A O no hydrogen 2.742 N/A LYS 137.A NZ GLU 76.A OE1 no hydrogen 3.232 N/A LYS 137.A NZ GLU 76.A OE2 no hydrogen 3.073 N/A LEU 138.A N ASN 57.A O no hydrogen 2.958 N/A ALA 139.A N ASN 127.A O no hydrogen 2.847 N/A GLY 142.A N HIS 120.A O no hydrogen 2.838 N/A LEU 143.A N TYR 15.A OH no hydrogen 2.828 N/A ALA 144.A N GLU 46.A OE2 no hydrogen 3.110 N/A ARG 145.A N LEU 143.A O no hydrogen 2.491 N/A ARG 145.A NH1 LYS 172.A O no hydrogen 2.758 N/A THR 153.A OG1 THR 14.A O no hydrogen 2.870 N/A HIS 156.A N THR 155.A OG1 no hydrogen 2.551 N/A TRP 162.A NE1 GLY 199.A O no hydrogen 2.869 N/A TYR 163.A OH GLU 189.A OE1 no hydrogen 2.459 N/A TYR 163.A OH GLU 189.A OE2 no hydrogen 3.405 N/A ARG 164.A N LEU 161.A O no hydrogen 3.011 N/A GLU 167.A N GLU 167.A OE1 no hydrogen 2.788 N/A ILE 168.A N ALA 165.A O no hydrogen 3.127 N/A LEU 169.A N ALA 165.A O no hydrogen 3.166 N/A LEU 170.A N PRO 166.A O no hydrogen 2.804 N/A GLY 171.A N ILE 168.A O no hydrogen 3.069 N/A ALA 177.A N SER 175.A OG no hydrogen 3.210 N/A VAL 178.A N SER 175.A O no hydrogen 3.004 N/A ASP 179.A N THR 176.A O no hydrogen 3.079 N/A TRP 181.A N ALA 177.A O no hydrogen 3.049 N/A SER 182.A N VAL 178.A O no hydrogen 3.211 N/A SER 182.A OG TYR 163.A O no hydrogen 2.696 N/A SER 182.A OG VAL 178.A O no hydrogen 3.108 N/A LEU 183.A N ASP 179.A O no hydrogen 2.921 N/A GLY 184.A N ILE 180.A O no hydrogen 2.872 N/A CYS 185.A N TRP 181.A O no hydrogen 3.032 N/A CYS 185.A SG TRP 181.A O no hydrogen 3.519 N/A ILE 186.A N SER 182.A O no hydrogen 3.006 N/A PHE 187.A N LEU 183.A O no hydrogen 2.883 N/A ALA 188.A N GLY 184.A O no hydrogen 3.022 N/A GLU 189.A N CYS 185.A O no hydrogen 3.147 N/A MET 190.A N ILE 186.A O no hydrogen 2.951 N/A VAL 191.A N PHE 187.A O no hydrogen 3.230 N/A THR 192.A N ALA 188.A O no hydrogen 2.925 N/A THR 192.A OG1 ALA 188.A O no hydrogen 3.026 N/A THR 192.A OG1 ARG 194.A O no hydrogen 2.998 N/A ARG 193.A N GLU 189.A O no hydrogen 2.827 N/A ARG 193.A NE ALA 90.A O no hydrogen 3.095 N/A ARG 193.A NH2 ALA 90.A O no hydrogen 3.117 N/A ARG 194.A N THR 192.A OG1 no hydrogen 3.251 N/A GLY 199.A N PHE 197.A O no hydrogen 3.014 N/A GLY 199.A N GLN 205.A OE1 no hydrogen 2.947 N/A ASP 200.A N ASP 204.A OD2 no hydrogen 3.074 N/A ASP 204.A N SER 201.A OG no hydrogen 3.058 N/A GLN 205.A N SER 201.A O no hydrogen 2.743 N/A GLN 205.A NE2 TRP 162.A O no hydrogen 3.332 N/A GLN 205.A NE2 PHE 197.A O no hydrogen 2.981 N/A LEU 206.A N GLU 202.A O no hydrogen 3.062 N/A PHE 207.A N ILE 203.A O no hydrogen 2.936 N/A ARG 208.A N ASP 204.A O no hydrogen 2.927 N/A ARG 208.A NE ASP 204.A OD2 no hydrogen 2.920 N/A ILE 209.A N GLN 205.A O no hydrogen 3.144 N/A PHE 210.A N LEU 206.A O no hydrogen 2.965 N/A ARG 211.A N PHE 207.A O no hydrogen 2.817 N/A THR 212.A N ARG 208.A O no hydrogen 3.274 N/A THR 212.A N ILE 209.A O no hydrogen 3.142 N/A THR 212.A OG1 ARG 208.A O no hydrogen 3.510 N/A LEU 213.A N ILE 209.A O no hydrogen 2.786 N/A GLY 214.A N PHE 210.A O no hydrogen 2.722 N/A THR 215.A N TRP 237.A O no hydrogen 2.971 N/A THR 215.A OG1 PRO 235.A O no hydrogen 2.628 N/A VAL 219.A N ASP 217.A OD1 no hydrogen 3.158 N/A VAL 220.A N ASP 217.A OD1 no hydrogen 3.310 N/A TRP 221.A N ASP 217.A O no hydrogen 2.955 N/A GLY 223.A N GLU 218.A OE1 no hydrogen 2.763 N/A VAL 224.A N TRP 221.A O no hydrogen 3.052 N/A THR 225.A N GLU 218.A OE2 no hydrogen 3.022 N/A THR 225.A OG1 GLU 218.A OE2 no hydrogen 2.357 N/A SER 226.A N GLY 223.A O no hydrogen 3.102 N/A MET 227.A N VAL 224.A O no hydrogen 3.125 N/A ASP 229.A N LEU 170.A O no hydrogen 2.797 N/A TYR 230.A N MET 227.A O no hydrogen 3.048 N/A PHE 234.A N LYS 231.A O no hydrogen 2.884 N/A LYS 236.A NZ PRO 232.A O no hydrogen 3.014 N/A LYS 236.A NZ PHE 234.A O no hydrogen 2.313 N/A TRP 237.A N THR 215.A OG1 no hydrogen 2.855 N/A ARG 239.A NH1 LEU 213.A O no hydrogen 3.032 N/A GLN 240.A N THR 212.A O no hydrogen 3.002 N/A SER 243.A N ASP 241.A OD1 no hydrogen 3.479 N/A SER 243.A OG ASP 241.A OD2 no hydrogen 2.297 N/A LYS 244.A N ASP 241.A O no hydrogen 3.287 N/A LYS 244.A NZ GLN 240.A OE1 no hydrogen 2.885 N/A VAL 245.A N PHE 242.A O no hydrogen 3.142 N/A LEU 249.A N VAL 246.A O no hydrogen 2.868 N/A GLY 253.A N ASP 250.A OD1 no hydrogen 2.904 N/A ARG 254.A N ASP 250.A O no hydrogen 2.911 N/A ARG 254.A NH1 LEU 249.A O no hydrogen 2.951 N/A SER 255.A N GLU 251.A O no hydrogen 2.844 N/A SER 255.A OG HIS 277.A NE2 no hydrogen 3.040 N/A LEU 256.A N ASP 252.A O no hydrogen 2.948 N/A LEU 257.A N GLY 253.A O no hydrogen 2.940 N/A SER 258.A N ARG 254.A O no hydrogen 2.904 N/A SER 258.A OG SER 255.A O no hydrogen 2.910 N/A GLN 259.A N SER 255.A O no hydrogen 3.250 N/A MET 260.A N LEU 256.A O no hydrogen 3.097 N/A LEU 261.A N LEU 257.A O no hydrogen 3.011 N/A LEU 261.A N SER 258.A O no hydrogen 3.327 N/A HIS 262.A ND1 LYS 267.A O no hydrogen 3.206 N/A TYR 263.A OH GLY 214.A O no hydrogen 2.653 N/A ASN 266.A N ASP 264.A OD1 no hydrogen 2.983 N/A LYS 267.A N ASP 264.A O no hydrogen 2.925 N/A LYS 267.A NZ VAL 220.A O no hydrogen 2.858 N/A LYS 267.A NZ ASP 264.A OD2 no hydrogen 3.361 N/A ARG 268.A N ASP 264.A O no hydrogen 2.976 N/A ARG 268.A NE HIS 262.A O no hydrogen 2.716 N/A ARG 268.A NH1 GLU 167.A OE1 no hydrogen 3.379 N/A ARG 268.A NH1 GLU 167.A OE2 no hydrogen 2.716 N/A ARG 268.A NH1 ALA 177.A O no hydrogen 2.936 N/A ARG 268.A NH2 GLU 167.A OE1 no hydrogen 2.738 N/A ARG 268.A NH2 HIS 262.A O no hydrogen 3.123 N/A ARG 268.A NH2 TYR 263.A O no hydrogen 2.910 N/A ILE 269.A N GLN 259.A O no hydrogen 2.996 N/A ALA 273.A N SER 270.A OG no hydrogen 2.981 N/A ALA 274.A N SER 270.A O no hydrogen 2.930 N/A LEU 275.A N ALA 271.A O no hydrogen 3.208 N/A ALA 276.A N ALA 273.A O no hydrogen 3.055 N/A HIS 277.A N ALA 274.A O no hydrogen 2.996 N/A HIS 277.A NE2 SER 255.A OG no hydrogen 3.040 N/A PHE 279.A N HIS 277.A ND1 no hydrogen 3.041 N/A PHE 280.A N HIS 277.A O no hydrogen 3.067 N/A GLN 281.A N PRO 278.A O no hydrogen 2.967 N/A VAL 283.A N PHE 280.A O no hydrogen 3.222 N/A