Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3qwa_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 6.A N TYR 25.A O no hydrogen 2.764 N/A GLN 6.A NE2 PRO 26.A O no hydrogen 3.135 N/A GLN 6.A NE2 TYR 99.A O no hydrogen 3.251 N/A LYS 7.A N GLN 98.A OE1 no hydrogen 3.076 N/A LYS 7.A NZ ASP 24.A OD2 no hydrogen 3.132 N/A VAL 8.A N GLU 23.A O no hydrogen 2.973 N/A ILE 9.A N PHE 96.A O no hydrogen 2.857 N/A LEU 10.A N LYS 21.A O no hydrogen 2.963 N/A ILE 11.A N TYR 62.A O no hydrogen 3.014 N/A GLY 15.A N ARG 52.A O no hydrogen 2.964 N/A TYR 17.A OH GLU 317.A OE1 no hydrogen 2.743 N/A VAL 19.A N GLY 16.A O no hydrogen 3.254 N/A LYS 21.A N LEU 10.A O no hydrogen 2.788 N/A LYS 21.A NZ ASP 18.A O no hydrogen 3.001 N/A GLU 23.A N VAL 8.A O no hydrogen 3.066 N/A TYR 25.A N GLN 6.A O no hydrogen 2.827 N/A VAL 27.A N GLU 4.A O no hydrogen 2.904 N/A SER 31.A N GLU 34.A OE2 no hydrogen 2.839 N/A GLU 34.A N SER 31.A O no hydrogen 3.310 N/A LEU 35.A N ILE 102.A O no hydrogen 2.764 N/A LEU 36.A N ALA 74.A O no hydrogen 2.735 N/A ILE 37.A N SER 100.A O no hydrogen 2.897 N/A LYS 38.A N THR 71.A O no hydrogen 2.743 N/A LYS 38.A NZ GLN 331.A O no hydrogen 2.743 N/A ASN 39.A N GLN 98.A O no hydrogen 2.876 N/A ASN 39.A ND2 ALA 97.A O no hydrogen 2.908 N/A ASN 39.A ND2 SER 100.A OG no hydrogen 3.009 N/A LYS 40.A N SER 69.A O no hydrogen 2.858 N/A LYS 40.A NZ ASP 117.A OD1 no hydrogen 2.637 N/A LYS 40.A NZ ASP 117.A OD2 no hydrogen 3.345 N/A TYR 41.A N SER 69.A O no hydrogen 3.279 N/A TYR 41.A OH ASP 117.A OD2 no hydrogen 2.570 N/A THR 42.A N LEU 327.A O no hydrogen 3.102 N/A THR 42.A OG1 GLU 67.A O no hydrogen 2.613 N/A THR 42.A OG1 THR 95.A OG1 no hydrogen 2.920 N/A GLY 43.A N GLU 67.A O no hydrogen 2.884 N/A VAL 44.A N LEU 325.A O no hydrogen 2.855 N/A ASN 45.A ND2 GLU 67.A OE2 no hydrogen 3.038 N/A GLU 48.A N ASN 45.A O no hydrogen 3.236 N/A SER 49.A N TYR 46.A O no hydrogen 3.044 N/A SER 49.A OG GLU 317.A OE2 no hydrogen 2.909 N/A PHE 51.A N ILE 47.A O no hydrogen 3.134 N/A ARG 52.A N GLU 48.A O no hydrogen 3.151 N/A ARG 52.A NE GLY 15.A O no hydrogen 3.082 N/A ARG 52.A NH1 GLU 317.A OE2 no hydrogen 2.779 N/A ARG 52.A NH2 GLU 317.A OE1 no hydrogen 2.997 N/A ARG 52.A NH2 GLU 317.A OE2 no hydrogen 3.534 N/A LYS 53.A N SER 49.A O no hydrogen 3.023 N/A ILE 55.A N TYR 50.A O no hydrogen 2.819 N/A TYR 56.A N TYR 50.A O no hydrogen 3.094 N/A LYS 60.A NZ CYS 58.A O no hydrogen 2.941 N/A TYR 62.A N ILE 11.A O no hydrogen 3.016 N/A TYR 62.A OH GLU 48.A OE1 no hydrogen 3.296 N/A LEU 64.A N ILE 9.A O no hydrogen 3.169 N/A GLY 65.A N GLU 48.A OE2 no hydrogen 3.016 N/A ARG 66.A NH2 TYR 271.A OH no hydrogen 3.320 N/A ALA 68.A N TYR 90.A O no hydrogen 3.150 N/A SER 69.A N TYR 41.A O no hydrogen 2.902 N/A SER 69.A OG LEU 120.A O no hydrogen 2.694 N/A GLY 70.A N VAL 88.A O no hydrogen 3.005 N/A THR 71.A N LYS 38.A O no hydrogen 2.954 N/A VAL 72.A N ASP 86.A O no hydrogen 2.920 N/A VAL 73.A N LEU 36.A O no hydrogen 2.796 N/A ALA 74.A N LEU 36.A O no hydrogen 3.367 N/A LYS 75.A NZ VAL 79.A O no hydrogen 3.488 N/A LYS 75.A NZ PHE 82.A O no hydrogen 2.877 N/A GLY 76.A N GLU 34.A O no hydrogen 2.946 N/A GLY 78.A N GLU 32.A O no hydrogen 2.914 N/A VAL 79.A N GLY 76.A O no hydrogen 3.101 N/A ASN 81.A N ASN 81.A OD1 no hydrogen 2.680 N/A ASN 81.A ND2 SER 104.A O no hydrogen 2.847 N/A GLU 83.A N ASP 86.A OD2 no hydrogen 2.768 N/A GLY 85.A N VAL 72.A O no hydrogen 2.813 N/A ASP 86.A N GLU 83.A O no hydrogen 3.116 N/A GLN 87.A NE2 THR 115.A O no hydrogen 3.458 N/A VAL 88.A N GLY 70.A O no hydrogen 2.749 N/A ALA 89.A N MET 109.A O no hydrogen 3.142 N/A TYR 90.A N ALA 68.A O no hydrogen 2.978 N/A TYR 90.A OH ASN 39.A OD1 no hydrogen 2.475 N/A ILE 91.A N PRO 107.A O no hydrogen 3.008 N/A SER 92.A N ARG 66.A O no hydrogen 2.876 N/A SER 92.A OG LYS 101.A O no hydrogen 2.659 N/A THR 95.A N GLY 65.A O no hydrogen 3.170 N/A THR 95.A OG1 THR 42.A OG1 no hydrogen 2.920 N/A PHE 96.A N LEU 64.A O no hydrogen 3.019 N/A GLN 98.A N LYS 7.A O no hydrogen 3.398 N/A GLN 98.A NE2 PRO 330.A O no hydrogen 2.858 N/A TYR 99.A N GLN 6.A OE1 no hydrogen 2.704 N/A SER 100.A N ILE 37.A O no hydrogen 3.081 N/A SER 100.A OG SER 94.A O no hydrogen 2.671 N/A LYS 101.A NZ SER 29.A O no hydrogen 3.051 N/A ILE 102.A N LEU 35.A O no hydrogen 3.248 N/A SER 104.A N GLU 33.A O no hydrogen 2.796 N/A SER 104.A OG GLU 33.A O no hydrogen 2.919 N/A SER 104.A OG ASN 81.A OD1 no hydrogen 3.515 N/A SER 104.A OG GLN 105.A OE1 no hydrogen 3.503 N/A GLN 105.A N SER 103.A OG no hydrogen 3.128 N/A GLY 106.A N SER 103.A O no hydrogen 2.938 N/A VAL 108.A N GLY 106.A O no hydrogen 2.758 N/A MET 109.A N ALA 89.A O no hydrogen 2.905 N/A LYS 110.A NZ ASN 81.A O no hydrogen 3.321 N/A LEU 111.A N GLN 87.A O no hydrogen 2.754 N/A THR 115.A N PRO 112.A O no hydrogen 3.053 N/A THR 115.A OG1 PRO 112.A O no hydrogen 2.568 N/A SER 116.A N GLU 119.A OE1 no hydrogen 2.943 N/A SER 116.A OG GLU 118.A OE2 no hydrogen 3.563 N/A SER 116.A OG GLU 119.A OE1 no hydrogen 3.391 N/A GLU 119.A N SER 116.A OG no hydrogen 3.196 N/A LEU 120.A N SER 116.A O no hydrogen 3.078 N/A LYS 121.A N ASP 117.A O no hydrogen 3.126 N/A LYS 121.A NZ THR 303.A OG1 no hydrogen 2.956 N/A LEU 122.A N GLU 118.A O no hydrogen 3.182 N/A TYR 123.A N GLU 119.A O no hydrogen 2.962 N/A ALA 124.A N LEU 120.A O no hydrogen 3.229 N/A ALA 125.A N LYS 121.A O no hydrogen 2.960 N/A GLY 126.A N LEU 122.A O no hydrogen 2.985 N/A LEU 127.A N TYR 123.A O no hydrogen 2.976 N/A LEU 128.A N GLU 67.A OE1 no hydrogen 2.740 N/A VAL 130.A N GLY 126.A O no hydrogen 2.949 N/A LEU 131.A N LEU 127.A O no hydrogen 3.140 N/A THR 132.A N LEU 128.A O no hydrogen 3.011 N/A THR 132.A OG1 LEU 128.A O no hydrogen 2.662 N/A ALA 133.A N GLN 129.A O no hydrogen 3.033 N/A LEU 134.A N VAL 130.A O no hydrogen 2.792 N/A SER 135.A N LEU 131.A O no hydrogen 3.137 N/A SER 135.A OG LEU 131.A O no hydrogen 2.939 N/A SER 135.A OG THR 132.A O no hydrogen 3.228 N/A PHE 136.A N THR 132.A O no hydrogen 2.934 N/A THR 137.A N ALA 133.A O no hydrogen 3.151 N/A THR 137.A OG1 ALA 133.A O no hydrogen 2.714 N/A THR 137.A OG1 LEU 134.A O no hydrogen 3.202 N/A ASN 138.A ND2 TYR 283.A OH no hydrogen 2.902 N/A GLU 139.A N SER 135.A O no hydrogen 2.865 N/A ALA 140.A N SER 135.A O no hydrogen 3.424 N/A TYR 141.A N PHE 136.A O no hydrogen 3.031 N/A TYR 141.A OH ASP 147.A OD2 no hydrogen 2.664 N/A HIS 142.A ND1 ASN 138.A O no hydrogen 2.938 N/A VAL 143.A N THR 137.A O no hydrogen 3.071 N/A LYS 144.A N ASP 147.A OD2 no hydrogen 2.789 N/A LYS 144.A NZ ASP 147.A OD1 no hydrogen 2.774 N/A GLY 146.A N GLY 170.A O no hydrogen 2.885 N/A ASP 147.A N LYS 144.A O no hydrogen 3.271 N/A TYR 148.A N ASP 216.A OD2 no hydrogen 2.764 N/A VAL 149.A N HIS 172.A O no hydrogen 2.965 N/A LEU 150.A N ALA 217.A O no hydrogen 2.905 N/A LEU 151.A N ILE 174.A O no hydrogen 2.821 N/A PHE 152.A N PHE 219.A O no hydrogen 3.175 N/A ALA 154.A N VAL 176.A O no hydrogen 3.224 N/A GLY 156.A N ALA 153.A O no hydrogen 2.993 N/A LEU 160.A N GLY 156.A O no hydrogen 2.821 N/A LEU 162.A N VAL 158.A O no hydrogen 2.866 N/A ASN 163.A N GLY 159.A O no hydrogen 2.910 N/A GLN 164.A NE2 LEU 160.A O no hydrogen 3.179 N/A GLN 164.A NE2 ASN 297.A O no hydrogen 2.897 N/A LEU 165.A N ILE 161.A O no hydrogen 2.911 N/A LEU 166.A N LEU 162.A O no hydrogen 2.911 N/A LYS 167.A N ASN 163.A O no hydrogen 3.271 N/A MET 168.A N GLN 164.A O no hydrogen 2.967 N/A LYS 169.A N LEU 165.A O no hydrogen 2.905 N/A GLY 170.A N LYS 167.A O no hydrogen 3.097 N/A ALA 171.A N LEU 166.A O no hydrogen 2.836 N/A HIS 172.A N ASP 147.A O no hydrogen 2.629 N/A HIS 172.A ND1 GLU 192.A OE2 no hydrogen 2.939 N/A ILE 174.A N VAL 149.A O no hydrogen 2.768 N/A ALA 175.A N TYR 193.A O no hydrogen 2.726 N/A VAL 176.A N LEU 151.A O no hydrogen 2.736 N/A ALA 177.A N ILE 195.A O no hydrogen 3.198 N/A LYS 182.A N THR 179.A OG1 no hydrogen 3.337 N/A LYS 182.A NZ ARG 319.A O no hydrogen 2.713 N/A LEU 183.A N THR 179.A O no hydrogen 3.203 N/A LYS 184.A N ASP 180.A O no hydrogen 2.900 N/A ILE 185.A N GLU 181.A O no hydrogen 3.360 N/A ALA 186.A N LYS 182.A O no hydrogen 3.061 N/A LYS 187.A N LEU 183.A O no hydrogen 2.917 N/A LYS 187.A NZ GLU 192.A O no hydrogen 2.651 N/A GLU 188.A N LYS 184.A O no hydrogen 3.211 N/A TYR 189.A N ILE 185.A O no hydrogen 3.055 N/A TYR 189.A N ALA 186.A O no hydrogen 3.117 N/A TYR 189.A OH ASN 297.A OD1 no hydrogen 2.736 N/A GLY 190.A N LYS 187.A O no hydrogen 3.109 N/A ALA 191.A N ALA 186.A O no hydrogen 3.007 N/A GLU 192.A N THR 173.A O no hydrogen 3.167 N/A TYR 193.A N THR 173.A O no hydrogen 2.952 N/A ILE 195.A N ALA 175.A O no hydrogen 2.778 N/A ASN 196.A N GLU 200.A OE1 no hydrogen 2.965 N/A ASN 196.A ND2 ASP 180.A OD1 no hydrogen 2.739 N/A ALA 197.A N ALA 177.A O no hydrogen 2.821 N/A SER 198.A N ASN 196.A OD1 no hydrogen 2.919 N/A SER 198.A OG SER 178.A O no hydrogen 2.659 N/A LYS 199.A N ASN 196.A O no hydrogen 3.122 N/A LYS 199.A NZ ASP 180.A OD2 no hydrogen 3.030 N/A GLU 200.A N ASN 196.A O no hydrogen 2.770 N/A ARG 204.A N ASP 201.A OD1 no hydrogen 3.287 N/A GLN 205.A N ASP 201.A O no hydrogen 3.139 N/A VAL 206.A N ILE 202.A O no hydrogen 3.008 N/A LEU 207.A N LEU 203.A O no hydrogen 3.082 N/A LYS 208.A N ARG 204.A O no hydrogen 3.153 N/A PHE 209.A N GLN 205.A O no hydrogen 2.928 N/A THR 210.A N VAL 206.A O no hydrogen 3.008 N/A THR 210.A OG1 VAL 206.A O no hydrogen 2.751 N/A ASN 211.A N LYS 208.A O no hydrogen 3.491 N/A GLY 212.A N LEU 207.A O no hydrogen 2.601 N/A LYS 213.A N THR 210.A O no hydrogen 3.266 N/A GLY 214.A N THR 210.A OG1 no hydrogen 2.979 N/A VAL 215.A N ALA 233.A O no hydrogen 2.895 N/A ASP 216.A N TYR 148.A O no hydrogen 2.777 N/A SER 218.A N VAL 239.A O no hydrogen 3.057 N/A SER 218.A OG SER 230.A OG no hydrogen 2.856 N/A PHE 219.A N LEU 150.A O no hydrogen 2.821 N/A ASP 220.A N VAL 241.A O no hydrogen 2.911 N/A VAL 222.A N ASP 220.A OD1 no hydrogen 2.895 N/A GLY 223.A N ASP 220.A OD1 no hydrogen 3.263 N/A THR 226.A N GLY 223.A O no hydrogen 3.193 N/A THR 226.A OG1 ASP 220.A OD1 no hydrogen 2.891 N/A THR 226.A OG1 ASP 220.A OD2 no hydrogen 2.848 N/A THR 226.A OG1 GLY 223.A O no hydrogen 3.361 N/A SER 230.A N THR 226.A O no hydrogen 2.861 N/A SER 230.A OG SER 218.A OG no hydrogen 2.856 N/A SER 230.A OG ASP 220.A OD2 no hydrogen 2.709 N/A LEU 231.A N PHE 227.A O no hydrogen 3.120 N/A ALA 232.A N GLU 228.A O no hydrogen 3.070 N/A ALA 233.A N ILE 229.A O no hydrogen 2.769 N/A LEU 234.A N SER 230.A O no hydrogen 3.204 N/A LYS 235.A N VAL 215.A O no hydrogen 2.843 N/A LYS 235.A NZ ASP 216.A OD1 no hydrogen 3.115 N/A LYS 237.A N LYS 261.A O no hydrogen 2.645 N/A GLY 238.A N LYS 235.A O no hydrogen 2.940 N/A VAL 239.A N ASP 216.A O no hydrogen 3.091 N/A PHE 240.A N THR 264.A O no hydrogen 2.663 N/A VAL 241.A N SER 218.A O no hydrogen 2.856 N/A SER 242.A N VAL 266.A O no hydrogen 2.914 N/A SER 242.A OG SER 247.A OG no hydrogen 2.718 N/A PHE 243.A N ASP 220.A O no hydrogen 3.160 N/A SER 247.A N GLY 244.A O no hydrogen 3.272 N/A SER 247.A OG SER 242.A OG no hydrogen 2.718 N/A SER 247.A OG GLY 244.A O no hydrogen 3.442 N/A GLY 248.A N ASN 245.A O no hydrogen 3.119 N/A LEU 249.A N ALA 246.A O no hydrogen 3.305 N/A ILE 250.A N SER 247.A O no hydrogen 3.327 N/A ARG 257.A N SER 254.A O no hydrogen 3.174 N/A ARG 257.A NH2 GLU 228.A OE2 no hydrogen 2.922 N/A LEU 258.A N ILE 255.A O no hydrogen 3.127 N/A SER 259.A N THR 256.A O no hydrogen 3.105 N/A SER 259.A OG THR 256.A O no hydrogen 3.417 N/A LYS 261.A NZ LEU 231.A O no hydrogen 2.726 N/A LYS 261.A NZ LEU 234.A O no hydrogen 2.770 N/A ASN 262.A N SER 259.A O no hydrogen 3.065 N/A ILE 263.A N LEU 258.A O no hydrogen 2.759 N/A THR 264.A N GLY 238.A O no hydrogen 3.014 N/A VAL 266.A N PHE 240.A O no hydrogen 2.873 N/A ARG 267.A NH2 GLY 244.A O no hydrogen 2.658 N/A GLY 272.A N GLN 269.A O no hydrogen 3.336 N/A TYR 273.A N LEU 270.A O no hydrogen 2.829 N/A ASP 276.A N GLU 279.A OE1 no hydrogen 3.380 N/A GLU 278.A N ASP 276.A OD1 no hydrogen 2.886 N/A TRP 280.A N ASP 276.A O no hydrogen 2.867 N/A TRP 280.A NE1 VAL 108.A O no hydrogen 3.035 N/A LYS 281.A N PRO 277.A O no hydrogen 2.966 N/A LYS 281.A NZ ASP 285.A OD2 no hydrogen 2.995 N/A TYR 282.A N GLU 278.A O no hydrogen 3.067 N/A TYR 283.A N GLU 279.A O no hydrogen 3.137 N/A TYR 283.A OH GLU 139.A OE1 no hydrogen 2.581 N/A SER 284.A N TRP 280.A O no hydrogen 2.861 N/A SER 284.A OG TRP 280.A O no hydrogen 2.679 N/A SER 284.A OG LYS 281.A O no hydrogen 3.421 N/A ASP 285.A N LYS 281.A O no hydrogen 3.064 N/A GLU 286.A N TYR 282.A O no hydrogen 3.178 N/A PHE 287.A N TYR 283.A O no hydrogen 2.777 N/A PHE 288.A N SER 284.A O no hydrogen 2.933 N/A GLY 289.A N ASP 285.A O no hydrogen 3.002 N/A LEU 290.A N GLU 286.A O no hydrogen 3.162 N/A VAL 291.A N PHE 287.A O no hydrogen 3.032 N/A ASN 292.A N PHE 288.A O no hydrogen 2.865 N/A ASN 292.A ND2 TYR 123.A OH no hydrogen 2.839 N/A SER 293.A N GLY 289.A O no hydrogen 3.325 N/A SER 293.A OG GLY 289.A O no hydrogen 2.689 N/A SER 293.A OG LEU 290.A O no hydrogen 3.096 N/A LYS 294.A N VAL 291.A O no hydrogen 3.144 N/A LYS 295.A N SER 293.A OG no hydrogen 3.404 N/A LEU 296.A N LEU 290.A O no hydrogen 3.055 N/A ASN 297.A N GLN 164.A OE1 no hydrogen 2.809 N/A LYS 299.A NZ ILE 300.A O no hydrogen 3.327 N/A LYS 299.A NZ VAL 322.A O no hydrogen 2.855 N/A TYR 301.A N LYS 324.A O no hydrogen 2.756 N/A TYR 304.A N VAL 326.A O no hydrogen 2.824 N/A TYR 304.A OH ASP 315.A OD1 no hydrogen 2.585 N/A LEU 306.A N GLU 328.A O no hydrogen 2.989 N/A ASP 308.A N PRO 305.A O no hydrogen 2.791 N/A TYR 309.A N LEU 306.A O no hydrogen 3.327 N/A ARG 310.A NE TYR 17.A O no hydrogen 2.879 N/A ARG 310.A NE ILE 20.A O no hydrogen 3.185 N/A ARG 310.A NH2 ASP 18.A O no hydrogen 2.992 N/A ARG 310.A NH2 ILE 20.A O no hydrogen 3.146 N/A THR 311.A N ASP 308.A O no hydrogen 3.285 N/A THR 311.A OG1 ASP 308.A OD1 no hydrogen 2.593 N/A THR 311.A OG1 ASP 308.A OD2 no hydrogen 3.346 N/A ALA 313.A N TYR 309.A O no hydrogen 2.683 N/A ALA 314.A N ARG 310.A O no hydrogen 3.313 N/A ASP 315.A N THR 311.A O no hydrogen 2.906 N/A ILE 316.A N ALA 312.A O no hydrogen 2.886 N/A GLU 317.A N ALA 313.A O no hydrogen 3.307 N/A SER 318.A N ASP 315.A O no hydrogen 3.290 N/A THR 321.A OG1 ASP 315.A O no hydrogen 2.698 N/A LYS 324.A N LYS 299.A O no hydrogen 2.752 N/A LYS 324.A NZ VAL 44.A O no hydrogen 3.076 N/A LYS 324.A NZ GLU 67.A OE2 no hydrogen 2.991 N/A VAL 326.A N LYS 302.A O no hydrogen 3.123 N/A LEU 327.A N THR 42.A O no hydrogen 2.857 N/A GLU 328.A N TYR 304.A O no hydrogen 2.640 N/A ILE 329.A N LYS 40.A O no hydrogen 2.896 N/A