Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1q8w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 6.A N VAL 2.A O no hydrogen 3.063 N/A ALA 7.A N LYS 3.A O no hydrogen 3.082 N/A LYS 8.A N GLU 4.A O no hydrogen 2.960 N/A LYS 8.A NZ GLU 11.A OE2 no hydrogen 3.115 N/A ALA 9.A N PHE 5.A O no hydrogen 2.703 N/A LYS 10.A N LEU 6.A O no hydrogen 2.777 N/A GLU 11.A N ALA 7.A O no hydrogen 3.312 N/A ASP 12.A N LYS 8.A O no hydrogen 3.341 N/A PHE 13.A N ALA 9.A O no hydrogen 3.079 N/A LEU 14.A N LYS 10.A O no hydrogen 3.037 N/A LYS 15.A N GLU 11.A O no hydrogen 3.290 N/A LYS 16.A N ASP 12.A O no hydrogen 3.414 N/A GLU 18.A N LYS 15.A O no hydrogen 3.261 N/A ASN 19.A N LYS 15.A O no hydrogen 2.966 N/A THR 24.A OG1 SER 96.A O no hydrogen 3.361 N/A ASP 28.A N HIS 26.A ND1 no hydrogen 3.365 N/A GLN 29.A N HIS 26.A O no hydrogen 3.290 N/A PHE 30.A N LEU 27.A O no hydrogen 3.109 N/A GLU 31.A N LYS 48.A O no hydrogen 2.904 N/A ILE 33.A N LEU 46.A O no hydrogen 2.968 N/A LYS 34.A NZ ASP 314.A OD1 no hydrogen 2.796 N/A THR 35.A N GLU 317.A OE2 no hydrogen 3.080 N/A THR 35.A OG1 GLU 317.A OE1 no hydrogen 2.786 N/A THR 35.A OG1 GLU 317.A OE2 no hydrogen 3.394 N/A LEU 36.A N VAL 44.A O no hydrogen 2.851 N/A ARG 43.A N ILE 60.A O no hydrogen 3.172 N/A VAL 44.A N GLY 37.A O no hydrogen 2.877 N/A MET 45.A N MET 58.A O no hydrogen 2.641 N/A LEU 46.A N LYS 34.A O no hydrogen 2.923 N/A VAL 47.A N TYR 56.A O no hydrogen 2.851 N/A LYS 48.A N GLU 31.A O no hydrogen 2.736 N/A HIS 49.A N ASN 54.A O no hydrogen 2.703 N/A MET 50.A N GLN 29.A O no hydrogen 3.116 N/A TYR 56.A N VAL 47.A O no hydrogen 2.997 N/A ALA 57.A N MET 107.A O no hydrogen 2.950 N/A MET 58.A N MET 45.A O no hydrogen 2.565 N/A LYS 59.A N MET 105.A O no hydrogen 2.783 N/A LYS 59.A NZ GLU 78.A OE1 no hydrogen 2.788 N/A LYS 59.A NZ GLU 78.A OE2 no hydrogen 3.441 N/A ILE 60.A N ARG 43.A O no hydrogen 2.770 N/A LEU 61.A N LEU 103.A O no hydrogen 2.820 N/A ASP 62.A N PHE 41.A O no hydrogen 3.120 N/A LYS 63.A N SER 101.A O no hydrogen 3.138 N/A LYS 63.A NZ ASP 99.A O no hydrogen 2.547 N/A LYS 63.A NZ LYS 326.A O no hydrogen 3.342 N/A LYS 65.A N ASP 62.A OD2 no hydrogen 3.385 N/A LYS 65.A NZ ASP 62.A OD1 no hydrogen 3.156 N/A VAL 66.A N ASP 62.A O no hydrogen 2.930 N/A VAL 67.A N LYS 63.A O no hydrogen 3.073 N/A LYS 68.A N GLN 64.A O no hydrogen 2.944 N/A LEU 69.A N LYS 65.A O no hydrogen 3.086 N/A LYS 70.A N VAL 67.A O no hydrogen 3.101 N/A GLN 71.A N VAL 66.A O no hydrogen 3.112 N/A GLN 71.A NE2 LEU 69.A O no hydrogen 3.581 N/A HIS 74.A ND1 GLN 71.A OE1 no hydrogen 2.881 N/A THR 75.A N GLN 71.A O no hydrogen 2.992 N/A THR 75.A OG1 GLN 71.A O no hydrogen 2.983 N/A THR 75.A OG1 ILE 72.A O no hydrogen 3.014 N/A LEU 76.A N ILE 72.A O no hydrogen 3.091 N/A ASN 77.A N GLU 73.A O no hydrogen 3.042 N/A GLU 78.A N HIS 74.A O no hydrogen 2.964 N/A LYS 79.A N THR 75.A O no hydrogen 3.316 N/A LYS 79.A NZ ALA 21.A O no hydrogen 3.326 N/A LYS 79.A NZ PHE 334.A OXT no hydrogen 2.420 N/A ARG 80.A N LEU 76.A O no hydrogen 3.129 N/A ARG 80.A NH2 TRP 17.A O no hydrogen 3.162 N/A ILE 81.A N ASN 77.A O no hydrogen 3.009 N/A LEU 82.A N GLU 78.A O no hydrogen 2.978 N/A GLN 83.A N LYS 79.A O no hydrogen 3.143 N/A GLN 83.A NE2 LYS 16.A O no hydrogen 3.204 N/A GLN 83.A NE2 ARG 80.A O no hydrogen 2.942 N/A ALA 84.A N ILE 81.A O no hydrogen 3.033 N/A ASN 86.A N TYR 142.A OH no hydrogen 2.952 N/A LEU 90.A N PHE 87.A O no hydrogen 3.199 N/A VAL 91.A N VAL 168.A O no hydrogen 3.061 N/A GLU 94.A N VAL 106.A O no hydrogen 2.738 N/A PHE 95.A N VAL 106.A O no hydrogen 3.272 N/A SER 96.A N THR 24.A OG1 no hydrogen 3.145 N/A PHE 97.A N TYR 104.A O no hydrogen 3.320 N/A LYS 98.A NZ PHE 331.A O no hydrogen 2.954 N/A LYS 98.A NZ PHE 334.A O no hydrogen 2.738 N/A ASP 99.A N ASN 102.A O no hydrogen 3.080 N/A SER 101.A N ASP 99.A OD1 no hydrogen 2.900 N/A SER 101.A OG ARG 321.A O no hydrogen 3.399 N/A ASN 102.A N ASP 99.A OD1 no hydrogen 2.812 N/A ASN 102.A ND2 TYR 104.A OH no hydrogen 3.212 N/A LEU 103.A N LEU 61.A O no hydrogen 2.861 N/A TYR 104.A N PHE 97.A O no hydrogen 3.031 N/A TYR 104.A OH ASP 99.A OD2 no hydrogen 2.573 N/A MET 105.A N LYS 59.A O no hydrogen 2.958 N/A VAL 106.A N PHE 95.A O no hydrogen 2.755 N/A MET 107.A N ALA 57.A O no hydrogen 2.906 N/A GLU 108.A N LYS 92.A O no hydrogen 3.178 N/A TYR 109.A OH ASP 308.A O no hydrogen 2.636 N/A MET 115.A N LEU 158.A O no hydrogen 2.710 N/A PHE 116.A N PRO 155.A O no hydrogen 3.249 N/A SER 117.A N GLU 114.A O no hydrogen 3.171 N/A HIS 118.A NE2 GLY 112.A O no hydrogen 2.626 N/A LEU 119.A N MET 115.A O no hydrogen 2.776 N/A ARG 120.A N PHE 116.A O no hydrogen 3.093 N/A ARG 120.A NH1 GLU 215.A OE2 no hydrogen 3.387 N/A ARG 120.A NH2 GLU 215.A OE2 no hydrogen 2.942 N/A ARG 121.A N SER 117.A O no hydrogen 2.979 N/A ARG 121.A N HIS 118.A O no hydrogen 3.156 N/A ILE 122.A N HIS 118.A O no hydrogen 2.978 N/A GLY 123.A N LEU 119.A O no hydrogen 2.846 N/A PHE 125.A N MET 216.A O no hydrogen 2.902 N/A HIS 128.A NE2 TYR 132.A OH no hydrogen 3.003 N/A ARG 130.A N GLU 126.A O no hydrogen 2.864 N/A ARG 130.A NE TRP 281.A O no hydrogen 2.724 N/A PHE 131.A N PRO 127.A O no hydrogen 3.006 N/A TYR 132.A N HIS 128.A O no hydrogen 3.485 N/A TYR 132.A OH HIS 128.A NE2 no hydrogen 3.003 N/A ALA 133.A N ALA 129.A O no hydrogen 2.996 N/A ALA 134.A N ARG 130.A O no hydrogen 2.994 N/A GLN 135.A NE2 PHE 131.A O no hydrogen 2.977 N/A ILE 136.A N TYR 132.A O no hydrogen 3.031 N/A VAL 137.A N ALA 133.A O no hydrogen 2.765 N/A LEU 138.A N ALA 134.A O no hydrogen 3.174 N/A THR 139.A N GLN 135.A O no hydrogen 3.183 N/A THR 139.A OG1 GLN 135.A O no hydrogen 2.877 N/A PHE 140.A N ILE 136.A O no hydrogen 3.060 N/A GLU 141.A N VAL 137.A O no hydrogen 3.179 N/A TYR 142.A N LEU 138.A O no hydrogen 2.860 N/A LEU 143.A N THR 139.A O no hydrogen 2.855 N/A HIS 144.A N PHE 140.A O no hydrogen 2.693 N/A HIS 144.A ND1 LEU 148.A O no hydrogen 3.036 N/A SER 145.A N GLU 141.A O no hydrogen 3.252 N/A SER 145.A N TYR 142.A O no hydrogen 3.147 N/A SER 145.A OG GLU 141.A O no hydrogen 3.358 N/A SER 145.A OG TYR 142.A O no hydrogen 2.500 N/A LEU 146.A N TYR 142.A O no hydrogen 3.342 N/A ASP 147.A N HIS 144.A O no hydrogen 3.139 N/A LEU 148.A N LEU 143.A O no hydrogen 2.787 N/A ILE 149.A N LYS 175.A O no hydrogen 3.285 N/A TYR 150.A N ASP 205.A OD2 no hydrogen 2.908 N/A TYR 150.A OH ASP 170.A O no hydrogen 2.712 N/A ARG 151.A N ASP 205.A OD1 no hydrogen 2.956 N/A ARG 151.A NE PHE 173.A O no hydrogen 2.917 N/A ARG 151.A NH2 PHE 173.A O no hydrogen 2.901 N/A LYS 154.A NZ THR 186.A OG1 no hydrogen 2.888 N/A ASN 157.A N LYS 154.A O no hydrogen 2.889 N/A ASN 157.A ND2 ASP 152.A O no hydrogen 2.902 N/A LEU 158.A N PRO 155.A O no hydrogen 3.500 N/A LEU 159.A N GLN 167.A O no hydrogen 3.004 N/A ILE 160.A N GLY 113.A O no hydrogen 2.968 N/A ASP 161.A N TYR 165.A O no hydrogen 2.815 N/A GLN 163.A NE2 ARG 293.A O no hydrogen 3.308 N/A GLY 164.A N ASP 161.A O no hydrogen 2.853 N/A TYR 165.A N ASP 161.A OD1 no hydrogen 2.856 N/A TYR 165.A OH VAL 295.A O no hydrogen 2.642 N/A ILE 166.A N GLN 135.A OE1 no hydrogen 2.952 N/A GLN 167.A N LEU 159.A O no hydrogen 2.878 N/A GLN 167.A NE2 PRO 88.A O no hydrogen 2.880 N/A VAL 168.A N PHE 89.A O no hydrogen 2.879 N/A THR 169.A OG1 ASP 170.A OD2 no hydrogen 3.280 N/A PHE 171.A N GLU 78.A OE2 no hydrogen 2.733 N/A ALA 174.A N PHE 171.A O no hydrogen 3.236 N/A LYS 175.A N ILE 149.A O no hydrogen 3.125 N/A ARG 176.A NE LEU 146.A O no hydrogen 2.966 N/A VAL 177.A N ASP 147.A O no hydrogen 3.116 N/A THR 181.A N TYR 200.A O no hydrogen 3.003 N/A GLU 188.A N GLU 188.A OE1 no hydrogen 2.662 N/A TYR 189.A N THR 186.A O no hydrogen 3.013 N/A TYR 189.A OH GLU 215.A OE1 no hydrogen 2.234 N/A LEU 190.A N PRO 187.A O no hydrogen 3.150 N/A GLU 193.A N GLU 193.A OE1 no hydrogen 2.642 N/A ILE 194.A N ALA 191.A O no hydrogen 2.930 N/A ILE 195.A N ALA 191.A O no hydrogen 3.406 N/A LEU 196.A N PRO 192.A O no hydrogen 3.075 N/A SER 197.A N ILE 194.A O no hydrogen 3.183 N/A LYS 198.A N GLU 193.A O no hydrogen 3.164 N/A TYR 200.A N THR 181.A O no hydrogen 2.939 N/A LYS 202.A NZ HIS 144.A O no hydrogen 3.378 N/A ALA 203.A N ASN 201.A OD1 no hydrogen 2.941 N/A VAL 204.A N ASN 201.A O no hydrogen 3.010 N/A ASP 205.A N LYS 202.A O no hydrogen 2.928 N/A TRP 206.A N ALA 203.A O no hydrogen 3.197 N/A TRP 207.A N ALA 203.A O no hydrogen 3.226 N/A ALA 208.A N VAL 204.A O no hydrogen 2.996 N/A LEU 209.A N ASP 205.A O no hydrogen 3.049 N/A GLY 210.A N TRP 206.A O no hydrogen 3.162 N/A VAL 211.A N TRP 207.A O no hydrogen 3.190 N/A LEU 212.A N ALA 208.A O no hydrogen 2.962 N/A ILE 213.A N LEU 209.A O no hydrogen 2.883 N/A TYR 214.A N GLY 210.A O no hydrogen 2.908 N/A TYR 214.A OH ARG 241.A O no hydrogen 2.688 N/A GLU 215.A N VAL 211.A O no hydrogen 2.899 N/A MET 216.A N LEU 212.A O no hydrogen 2.907 N/A ALA 217.A N ILE 213.A O no hydrogen 3.060 N/A ALA 218.A N TYR 214.A O no hydrogen 2.847 N/A GLY 219.A N GLU 215.A O no hydrogen 2.947 N/A GLN 227.A NE2 GLN 230.A OE1 no hydrogen 3.327 N/A GLN 230.A N GLN 227.A O no hydrogen 2.988 N/A ILE 231.A N GLN 227.A O no hydrogen 3.272 N/A TYR 232.A N PRO 228.A O no hydrogen 2.982 N/A GLU 233.A N ILE 229.A O no hydrogen 3.073 N/A LYS 234.A NZ PHE 224.A O no hydrogen 2.593 N/A ILE 235.A N ILE 231.A O no hydrogen 2.904 N/A VAL 236.A N TYR 232.A O no hydrogen 3.266 N/A SER 237.A N GLU 233.A O no hydrogen 3.454 N/A SER 237.A OG LYS 234.A O no hydrogen 2.910 N/A GLY 238.A N LYS 234.A O no hydrogen 3.387 N/A GLY 238.A N ILE 235.A O no hydrogen 3.224 N/A PHE 246.A N PRO 243.A O no hydrogen 3.435 N/A SER 247.A N GLU 126.A OE2 no hydrogen 2.974 N/A SER 247.A OG GLU 126.A OE1 no hydrogen 2.863 N/A LEU 250.A N SER 247.A OG no hydrogen 3.083 N/A LYS 251.A N SER 247.A O no hydrogen 3.198 N/A ASP 252.A N SER 248.A O no hydrogen 3.072 N/A LEU 253.A N ASP 249.A O no hydrogen 3.359 N/A LEU 254.A N LEU 250.A O no hydrogen 2.874 N/A ARG 255.A N LYS 251.A O no hydrogen 2.719 N/A ASN 256.A N ASP 252.A O no hydrogen 3.086 N/A ASN 256.A N LEU 253.A O no hydrogen 2.725 N/A LEU 257.A N LEU 253.A O no hydrogen 2.951 N/A LEU 257.A N LEU 254.A O no hydrogen 3.350 N/A LEU 258.A N LEU 254.A O no hydrogen 3.010 N/A THR 263.A N ASP 261.A OD1 no hydrogen 3.477 N/A THR 263.A OG1 ASP 261.A OD1 no hydrogen 3.561 N/A THR 263.A OG1 ASP 261.A OD2 no hydrogen 3.043 N/A LYS 264.A N ASP 261.A O no hydrogen 3.267 N/A ARG 265.A N LEU 262.A O no hydrogen 3.263 N/A ARG 265.A NE GLN 259.A O no hydrogen 3.002 N/A ARG 265.A NH1 GLU 193.A OE2 no hydrogen 2.873 N/A ARG 265.A NH1 ALA 203.A O no hydrogen 3.133 N/A ARG 265.A NH2 GLU 193.A OE1 no hydrogen 3.155 N/A ARG 265.A NH2 GLN 259.A O no hydrogen 3.083 N/A PHE 266.A N ASN 256.A O no hydrogen 2.868 N/A ASN 268.A N ARG 265.A O no hydrogen 3.001 N/A ASN 268.A ND2 LEU 262.A O no hydrogen 2.945 N/A GLY 272.A N LEU 269.A O no hydrogen 3.231 N/A ASN 274.A N ASN 271.A O no hydrogen 3.140 N/A ASP 275.A N GLY 272.A O no hydrogen 3.089 N/A ILE 276.A N VAL 273.A O no hydrogen 3.035 N/A LYS 277.A N VAL 273.A O no hydrogen 3.190 N/A LYS 277.A NZ GLU 141.A OE1 no hydrogen 3.444 N/A ASN 278.A N ASN 274.A O no hydrogen 2.961 N/A HIS 279.A N ILE 276.A O no hydrogen 3.335 N/A HIS 279.A NE2 ASP 252.A OD2 no hydrogen 2.986 N/A TRP 281.A N HIS 279.A ND1 no hydrogen 2.877 N/A PHE 282.A N HIS 279.A O no hydrogen 3.071 N/A ALA 283.A N LYS 280.A O no hydrogen 3.253 N/A THR 285.A N PHE 282.A O no hydrogen 3.212 N/A ILE 290.A N ASP 286.A O no hydrogen 3.090 N/A TYR 291.A N TRP 287.A O no hydrogen 3.164 N/A GLN 292.A N ILE 288.A O no hydrogen 2.983 N/A ARG 293.A N ILE 290.A O no hydrogen 2.956 N/A ARG 293.A NH1 ASP 161.A OD2 no hydrogen 3.094 N/A ARG 293.A NH1 GLN 163.A OE1 no hydrogen 3.006 N/A ARG 293.A NH2 PRO 88.A O no hydrogen 3.282 N/A ARG 293.A NH2 ASP 161.A OD2 no hydrogen 2.967 N/A LYS 294.A N ALA 289.A O no hydrogen 2.983 N/A VAL 295.A N TYR 165.A OH no hydrogen 3.107 N/A LYS 304.A N ASP 308.A OD2 no hydrogen 3.199 N/A SER 310.A N ASP 308.A OD1 no hydrogen 2.920 N/A SER 310.A OG ASP 308.A OD1 no hydrogen 2.989 N/A SER 310.A OG ASP 308.A OD2 no hydrogen 3.139 N/A ASN 311.A ND2 PRO 111.A O no hydrogen 3.070 N/A ASN 311.A ND2 LYS 302.A O no hydrogen 3.038 N/A PHE 312.A N THR 309.A O no hydrogen 3.095 N/A ARG 321.A NH1 GLU 318.A OE2 no hydrogen 3.086 N/A LYS 326.A N ASN 100.A O no hydrogen 3.005 N/A GLU 330.A N GLU 330.A OE1 no hydrogen 3.115 N/A SER 332.A N LYS 329.A O no hydrogen 3.196 N/A SER 332.A OG GLY 328.A O no hydrogen 3.480 N/A SER 332.A OG LYS 329.A O no hydrogen 2.563 N/A PHE 334.A N PHE 331.A O no hydrogen 3.246 N/A