Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8h4r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N LYS 21.A O no hydrogen 2.838 N/A VAL 6.A N GLN 4.A O no hydrogen 2.400 N/A GLU 7.A N LYS 19.A O no hydrogen 3.125 N/A LYS 8.A NZ GLU 11.A OE1 no hydrogen 3.349 N/A GLY 10.A N VAL 17.A O no hydrogen 3.182 N/A THR 13.A N ASP 144.A OD2 no hydrogen 3.146 N/A THR 13.A OG1 ASP 144.A OD1 no hydrogen 2.833 N/A TYR 14.A OH GLU 50.A OE2 no hydrogen 2.491 N/A VAL 16.A N LYS 33.A O no hydrogen 3.276 N/A VAL 17.A N GLY 10.A O no hydrogen 2.749 N/A TYR 18.A N LEU 31.A O no hydrogen 2.819 N/A LYS 19.A N GLU 7.A O no hydrogen 2.667 N/A ALA 20.A N VAL 29.A O no hydrogen 3.059 N/A ASN 22.A N GLN 27.A O no hydrogen 2.817 N/A ASN 22.A ND2 GLU 24.A OE1 no hydrogen 3.397 N/A ARG 23.A N MET 2.A O no hydrogen 3.254 N/A ARG 23.A NH1 PHE 3.A O no hydrogen 3.521 N/A GLU 24.A N ASN 22.A OD1 no hydrogen 3.002 N/A THR 25.A OG1 GLU 24.A OE1 no hydrogen 2.492 N/A GLY 26.A N ASN 22.A O no hydrogen 2.565 N/A VAL 29.A N ALA 20.A O no hydrogen 3.009 N/A ALA 30.A N PHE 79.A O no hydrogen 2.819 N/A LEU 31.A N TYR 18.A O no hydrogen 2.890 N/A LYS 32.A N LEU 77.A O no hydrogen 2.965 N/A LYS 32.A NZ GLU 50.A OE2 no hydrogen 3.113 N/A LYS 32.A NZ ASP 144.A OD1 no hydrogen 2.851 N/A LYS 33.A N VAL 16.A O no hydrogen 2.950 N/A LYS 33.A NZ TYR 18.A OH no hydrogen 3.231 N/A ILE 34.A N LEU 75.A O no hydrogen 2.832 N/A LEU 36.A N ARG 73.A O no hydrogen 2.730 N/A LEU 38.A N ARG 35.A O no hydrogen 3.136 N/A GLY 42.A N GLU 39.A O no hydrogen 3.255 N/A ILE 48.A N PRO 44.A O no hydrogen 2.955 N/A ARG 49.A N SER 45.A O no hydrogen 2.863 N/A GLU 50.A N THR 46.A O no hydrogen 2.958 N/A ILE 51.A N ALA 47.A O no hydrogen 2.932 N/A SER 52.A N ILE 48.A O no hydrogen 3.060 N/A SER 52.A OG ILE 48.A O no hydrogen 2.946 N/A SER 52.A OG ARG 49.A O no hydrogen 3.120 N/A LEU 53.A N ARG 49.A O no hydrogen 2.929 N/A LEU 54.A N GLU 50.A O no hydrogen 2.986 N/A LYS 55.A N ILE 51.A O no hydrogen 3.081 N/A GLU 56.A N LEU 53.A O no hydrogen 3.061 N/A ASN 61.A N HIS 59.A ND1 no hydrogen 3.157 N/A ASN 61.A ND2 GLN 109.A OE1 no hydrogen 3.044 N/A ASN 61.A ND2 ILE 140.A O no hydrogen 2.770 N/A ILE 62.A N HIS 59.A O no hydrogen 2.951 N/A VAL 63.A N LEU 142.A O no hydrogen 3.027 N/A ARG 64.A N GLU 80.A OE1 no hydrogen 2.911 N/A LEU 66.A N VAL 78.A O no hydrogen 2.656 N/A ASP 67.A N VAL 78.A O no hydrogen 3.353 N/A VAL 68.A N ASP 67.A OD1 no hydrogen 2.949 N/A VAL 69.A N TYR 76.A O no hydrogen 2.843 N/A ASN 71.A N LYS 74.A O no hydrogen 3.136 N/A LYS 74.A NZ TYR 76.A OH no hydrogen 2.702 N/A LEU 75.A N ILE 34.A O no hydrogen 3.030 N/A TYR 76.A N VAL 69.A O no hydrogen 2.790 N/A LEU 77.A N LYS 32.A O no hydrogen 2.896 N/A VAL 78.A N ASP 67.A O no hydrogen 2.811 N/A PHE 79.A N ALA 30.A O no hydrogen 2.807 N/A GLU 80.A N ARG 64.A O no hydrogen 3.033 N/A SER 83.A OG GLU 136.A OE2 no hydrogen 3.434 N/A GLN 84.A N ILE 134.A O no hydrogen 3.294 N/A LEU 86.A N LEU 132.A O no hydrogen 2.796 N/A LYS 87.A N PRO 129.A O no hydrogen 3.217 N/A LYS 88.A N ASP 85.A OD1 no hydrogen 2.950 N/A TYR 89.A N ASP 85.A O no hydrogen 3.012 N/A TYR 89.A OH GLU 97.A O no hydrogen 2.505 N/A MET 90.A N LEU 86.A O no hydrogen 3.079 N/A ASP 91.A N LYS 87.A O no hydrogen 3.088 N/A SER 92.A N TYR 89.A O no hydrogen 3.331 N/A SER 92.A OG LYS 88.A O no hydrogen 2.681 N/A THR 93.A OG1 TYR 89.A O no hydrogen 2.703 N/A THR 93.A OG1 PRO 94.A O no hydrogen 3.519 N/A GLU 97.A N PRO 94.A O no hydrogen 3.103 N/A LEU 98.A N GLY 95.A O no hydrogen 2.811 N/A LEU 102.A N PRO 99.A O no hydrogen 3.115 N/A ILE 103.A N PRO 99.A O no hydrogen 3.086 N/A LYS 104.A N LEU 100.A O no hydrogen 3.269 N/A LYS 104.A NZ GLU 254.A OE1 no hydrogen 3.565 N/A LYS 104.A NZ TYR 283.A O no hydrogen 2.810 N/A SER 105.A N HIS 101.A O no hydrogen 3.115 N/A SER 105.A OG LEU 102.A O no hydrogen 3.400 N/A TYR 106.A N LEU 102.A O no hydrogen 2.909 N/A LEU 107.A N ILE 103.A O no hydrogen 2.878 N/A PHE 108.A N LYS 104.A O no hydrogen 3.041 N/A GLN 109.A N SER 105.A O no hydrogen 3.237 N/A GLN 109.A NE2 SER 105.A O no hydrogen 2.904 N/A GLN 109.A NE2 GLY 138.A O no hydrogen 3.093 N/A LEU 110.A N TYR 106.A O no hydrogen 3.107 N/A LEU 111.A N LEU 107.A O no hydrogen 3.089 N/A GLN 112.A N PHE 108.A O no hydrogen 3.042 N/A GLY 113.A N GLN 109.A O no hydrogen 3.042 N/A VAL 114.A N LEU 110.A O no hydrogen 2.958 N/A SER 115.A N LEU 111.A O no hydrogen 2.802 N/A PHE 116.A N GLN 112.A O no hydrogen 3.068 N/A CYS 117.A N GLY 113.A O no hydrogen 3.098 N/A CYS 117.A SG GLY 113.A O no hydrogen 3.301 N/A HIS 118.A N VAL 114.A O no hydrogen 2.895 N/A HIS 118.A NE2 ASP 183.A OD2 no hydrogen 3.045 N/A SER 119.A N SER 115.A O no hydrogen 3.055 N/A SER 119.A OG SER 115.A O no hydrogen 3.241 N/A SER 119.A OG PHE 116.A O no hydrogen 2.799 N/A SER 119.A OG HIS 120.A ND1 no hydrogen 3.087 N/A HIS 120.A N PHE 116.A O no hydrogen 3.046 N/A HIS 120.A N CYS 117.A O no hydrogen 3.078 N/A HIS 120.A ND1 PHE 116.A O no hydrogen 2.771 N/A HIS 120.A ND1 SER 119.A OG no hydrogen 3.087 N/A ARG 121.A N HIS 118.A O no hydrogen 3.001 N/A VAL 122.A N CYS 117.A O no hydrogen 2.819 N/A ILE 123.A N ARG 149.A O no hydrogen 3.008 N/A HIS 124.A N ASP 183.A OD2 no hydrogen 2.898 N/A HIS 124.A NE2 ALA 143.A O no hydrogen 2.869 N/A ARG 125.A N ASP 183.A OD1 no hydrogen 3.086 N/A ARG 125.A NE LEU 147.A O no hydrogen 2.967 N/A ARG 125.A NH1 TYR 178.A OH no hydrogen 2.765 N/A ARG 125.A NH2 LEU 147.A O no hydrogen 3.348 N/A LYS 128.A NZ THR 163.A OG1 no hydrogen 3.188 N/A ASN 131.A N LYS 128.A O no hydrogen 2.934 N/A ASN 131.A ND2 ASP 126.A O no hydrogen 2.840 N/A ASN 131.A ND2 ASP 126.A OD2 no hydrogen 3.079 N/A LEU 132.A N PRO 129.A O no hydrogen 3.270 N/A LEU 133.A N LYS 141.A O no hydrogen 2.883 N/A ILE 134.A N GLN 84.A O no hydrogen 2.737 N/A ASN 135.A N ALA 139.A O no hydrogen 3.140 N/A LEU 137.A N ASN 135.A OD1 no hydrogen 2.915 N/A GLY 138.A N ASN 135.A OD1 no hydrogen 2.971 N/A ALA 139.A N ASN 135.A OD1 no hydrogen 2.927 N/A ILE 140.A N GLN 109.A OE1 no hydrogen 2.935 N/A LYS 141.A N LEU 133.A O no hydrogen 2.815 N/A LYS 141.A NZ GLU 80.A OE1 no hydrogen 3.055 N/A LYS 141.A NZ GLU 80.A OE2 no hydrogen 2.819 N/A LEU 142.A N ASN 61.A O no hydrogen 2.971 N/A ALA 143.A N ASN 131.A O no hydrogen 2.906 N/A PHE 145.A N GLU 50.A OE1 no hydrogen 2.968 N/A ALA 148.A N PHE 145.A O no hydrogen 3.234 N/A ARG 149.A N ILE 123.A O no hydrogen 3.081 N/A PHE 151.A N ARG 121.A O no hydrogen 3.003 N/A GLY 152.A N TYR 158.A OH no hydrogen 3.184 N/A ARG 156.A NH2 THR 157.A O no hydrogen 3.562 N/A THR 157.A OG1 LYS 176.A O no hydrogen 2.893 N/A THR 163.A OG1 ASP 126.A OD1 no hydrogen 2.970 N/A TRP 165.A NE1 GLY 203.A O no hydrogen 2.909 N/A TYR 166.A N THR 163.A O no hydrogen 2.854 N/A TYR 166.A OH GLU 193.A OE1 no hydrogen 2.593 N/A ARG 167.A N LEU 164.A O no hydrogen 3.048 N/A ARG 167.A NE VAL 162.A O no hydrogen 3.060 N/A ARG 167.A NH2 VAL 162.A O no hydrogen 3.007 N/A GLU 170.A N GLU 170.A OE1 no hydrogen 2.793 N/A ILE 171.A N ALA 168.A O no hydrogen 3.122 N/A LEU 172.A N ALA 168.A O no hydrogen 3.283 N/A LEU 173.A N PRO 169.A O no hydrogen 2.915 N/A GLY 174.A N ILE 171.A O no hydrogen 3.194 N/A SER 175.A N GLU 170.A O no hydrogen 3.065 N/A SER 175.A OG.A PHE 177.A O no hydrogen 3.008 N/A SER 175.A OG.B GLU 170.A O no hydrogen 2.890 N/A ALA 181.A N THR 179.A OG1 no hydrogen 3.388 N/A VAL 182.A N THR 179.A O no hydrogen 3.334 N/A ASP 183.A N THR 180.A O no hydrogen 3.162 N/A ILE 184.A N ALA 181.A O no hydrogen 2.961 N/A TRP 185.A N ALA 181.A O no hydrogen 3.092 N/A SER 186.A N VAL 182.A O no hydrogen 3.425 N/A SER 186.A OG TYR 166.A O no hydrogen 3.011 N/A SER 186.A OG VAL 182.A O no hydrogen 3.129 N/A ILE 187.A N ASP 183.A O no hydrogen 3.360 N/A GLY 188.A N ILE 184.A O no hydrogen 3.164 N/A CYS 189.A N TRP 185.A O no hydrogen 3.004 N/A CYS 189.A SG TRP 185.A O no hydrogen 3.350 N/A ILE 190.A N SER 186.A O no hydrogen 2.891 N/A PHE 191.A N ILE 187.A O no hydrogen 2.852 N/A ALA 192.A N GLY 188.A O no hydrogen 3.128 N/A GLU 193.A N CYS 189.A O no hydrogen 3.030 N/A MET 194.A N ILE 190.A O no hydrogen 2.957 N/A MET 194.A N PHE 191.A O no hydrogen 3.190 N/A VAL 195.A N PHE 191.A O no hydrogen 3.334 N/A VAL 195.A N ALA 192.A O no hydrogen 3.131 N/A THR 196.A N ALA 192.A O no hydrogen 2.887 N/A THR 196.A OG1 ALA 192.A O no hydrogen 2.943 N/A THR 196.A OG1 LYS 198.A O no hydrogen 2.768 N/A ARG 197.A NH1 THR 93.A OG1 no hydrogen 3.077 N/A ARG 197.A NH2 THR 93.A OG1 no hydrogen 2.913 N/A LYS 198.A N THR 196.A OG1 no hydrogen 3.335 N/A GLY 203.A N PHE 201.A O no hydrogen 3.114 N/A GLY 203.A N GLN 209.A OE1 no hydrogen 3.147 N/A ASP 204.A N ASP 208.A OD2 no hydrogen 2.934 N/A ASP 208.A N SER 205.A OG no hydrogen 2.857 N/A GLN 209.A N SER 205.A O no hydrogen 2.936 N/A GLN 209.A NE2 PHE 201.A O no hydrogen 2.837 N/A LEU 210.A N GLU 206.A O no hydrogen 3.124 N/A PHE 211.A N ILE 207.A O no hydrogen 2.994 N/A PHE 211.A N ASP 208.A O no hydrogen 3.093 N/A ARG 212.A N ASP 208.A O no hydrogen 2.904 N/A ARG 212.A NE ASP 208.A OD2 no hydrogen 3.008 N/A ILE 213.A N GLN 209.A O no hydrogen 3.253 N/A PHE 214.A N LEU 210.A O no hydrogen 3.217 N/A ARG 215.A N PHE 211.A O no hydrogen 2.840 N/A MET 216.A N ILE 213.A O no hydrogen 3.253 N/A LEU 217.A N ILE 213.A O no hydrogen 2.868 N/A GLY 218.A N PHE 214.A O no hydrogen 2.606 N/A THR 219.A N TRP 241.A O no hydrogen 3.259 N/A THR 219.A OG1 PRO 239.A O no hydrogen 2.925 N/A SER 221.A N THR 224.A OG1 no hydrogen 2.969 N/A ASP 223.A N SER 221.A OG no hydrogen 3.272 N/A THR 224.A N SER 221.A OG no hydrogen 3.346 N/A THR 224.A OG1 SER 221.A O no hydrogen 3.193 N/A TRP 225.A N SER 221.A O no hydrogen 2.665 N/A GLY 227.A N GLU 222.A OE1 no hydrogen 3.013 N/A GLY 227.A N GLU 222.A OE2 no hydrogen 3.222 N/A VAL 228.A N TRP 225.A O no hydrogen 3.095 N/A THR 229.A N GLU 222.A OE2 no hydrogen 2.911 N/A THR 229.A OG1 GLU 222.A OE2 no hydrogen 2.501 N/A GLN 230.A N GLY 227.A O no hydrogen 2.946 N/A LEU 231.A N VAL 228.A O no hydrogen 3.296 N/A ASP 233.A N LEU 173.A O no hydrogen 3.059 N/A TYR 234.A N LEU 231.A O no hydrogen 2.967 N/A PHE 238.A N LYS 235.A O no hydrogen 3.074 N/A LYS 240.A NZ GLY 236.A O no hydrogen 2.960 N/A LYS 240.A NZ PHE 238.A O no hydrogen 2.732 N/A TRP 241.A N THR 219.A OG1 no hydrogen 3.190 N/A LYS 244.A N MET 216.A O no hydrogen 2.931 N/A GLU 248.A N GLY 245.A O no hydrogen 3.302 N/A ILE 249.A N LEU 246.A O no hydrogen 3.059 N/A VAL 250.A N LEU 246.A O no hydrogen 2.946 N/A LEU 253.A N VAL 250.A O no hydrogen 3.399 N/A GLY 257.A N GLU 254.A O no hydrogen 3.231 N/A ARG 258.A N GLU 254.A O no hydrogen 3.149 N/A ARG 258.A NE LEU 253.A O no hydrogen 3.254 N/A ASP 259.A N PRO 255.A O no hydrogen 3.093 N/A LEU 260.A N GLU 256.A O no hydrogen 3.232 N/A LEU 261.A N GLY 257.A O no hydrogen 3.119 N/A MET 262.A N ARG 258.A O no hydrogen 3.219 N/A GLN 263.A N ASP 259.A O no hydrogen 3.153 N/A GLN 263.A NE2 ASP 259.A OD2 no hydrogen 2.768 N/A LEU 264.A N LEU 260.A O no hydrogen 2.886 N/A LEU 265.A N LEU 261.A O no hydrogen 3.147 N/A TYR 267.A OH GLY 218.A O no hydrogen 2.331 N/A SER 270.A N ASP 268.A OD1 no hydrogen 3.128 N/A GLN 271.A N ASP 268.A O no hydrogen 3.040 N/A ARG 272.A NE GLN 266.A O no hydrogen 2.761 N/A ARG 272.A NH1 GLU 170.A OE1 no hydrogen 2.877 N/A ARG 272.A NH1 GLN 266.A O no hydrogen 2.872 N/A ARG 272.A NH1 TYR 267.A O no hydrogen 3.105 N/A ARG 272.A NH2 GLU 170.A OE2 no hydrogen 2.940 N/A ARG 272.A NH2 ALA 181.A O no hydrogen 2.885 N/A ILE 273.A N GLN 263.A O no hydrogen 3.515 N/A THR 274.A OG1 THR 277.A OG1 no hydrogen 2.839 N/A THR 277.A N THR 274.A OG1 no hydrogen 3.183 N/A THR 277.A OG1 THR 274.A OG1 no hydrogen 2.839 N/A ALA 278.A N THR 274.A O no hydrogen 2.947 N/A LEU 279.A N ALA 275.A O no hydrogen 3.154 N/A ALA 280.A N THR 277.A O no hydrogen 3.104 N/A HIS 281.A N ALA 278.A O no hydrogen 3.077 N/A HIS 281.A NE2 ASP 259.A OD2 no hydrogen 2.828 N/A TYR 283.A N HIS 281.A ND1 no hydrogen 3.104 N/A PHE 284.A N HIS 281.A O no hydrogen 3.232 N/A SER 285.A N PRO 282.A O no hydrogen 2.960 N/A