Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6w3q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH ASP 5.A OD1 no hydrogen 3.141 N/A GLN 9.A N ASP 255.A OD2 no hydrogen 2.654 N/A THR 11.A N GLN 9.A OE1 no hydrogen 2.708 N/A THR 11.A OG1 GLN 9.A OE1 no hydrogen 2.585 N/A SER 12.A N LYS 16.A O no hydrogen 2.719 N/A SER 12.A OG SER 14.A OG no hydrogen 3.230 N/A SER 12.A OG LYS 16.A O no hydrogen 3.434 N/A SER 14.A N SER 12.A OG no hydrogen 3.045 N/A SER 14.A OG SER 12.A OG no hydrogen 3.230 N/A GLY 15.A N SER 12.A O no hydrogen 3.108 N/A LYS 16.A N SER 12.A OG no hydrogen 3.013 N/A ALA 18.A N LYS 10.A O no hydrogen 2.778 N/A THR 19.A N LEU 274.A O no hydrogen 2.715 N/A THR 19.A OG1 LEU 276.A O no hydrogen 3.181 N/A LEU 20.A N LEU 274.A O no hydrogen 2.870 N/A LYS 21.A N ASP 48.A OD2 no hydrogen 2.589 N/A LYS 21.A NZ GLU 45.A O no hydrogen 2.771 N/A LYS 21.A NZ TYR 273.A OH no hydrogen 3.068 N/A ILE 22.A N LEU 272.A O no hydrogen 2.972 N/A CYS 23.A N ILE 49.A O no hydrogen 2.879 N/A CYS 23.A SG SER 24.A O no hydrogen 3.910 N/A CYS 23.A SG ILE 270.A O no hydrogen 3.325 N/A CYS 23.A SG THR 271.A OG1 no hydrogen 3.691 N/A SER 24.A N ILE 270.A O no hydrogen 3.068 N/A SER 24.A OG CYS 51.A O no hydrogen 3.403 N/A TRP 25.A N CYS 51.A O no hydrogen 2.971 N/A TRP 25.A NE1 HIS 267.A O no hydrogen 3.097 N/A ASN 26.A ND2 GLU 54.A OE1 no hydrogen 3.327 N/A VAL 27.A N GLN 53.A O no hydrogen 3.056 N/A GLY 29.A N GLU 54.A O no hydrogen 3.173 N/A LEU 30.A N THR 55.A O no hydrogen 3.341 N/A TRP 33.A N GLY 29.A O no hydrogen 2.855 N/A ILE 34.A N LEU 30.A O no hydrogen 3.371 N/A LYS 35.A N ARG 31.A O no hydrogen 3.301 N/A LYS 36.A N ALA 32.A O no hydrogen 2.673 N/A LYS 36.A NZ GLY 264.A O no hydrogen 3.171 N/A LYS 37.A N ILE 34.A O no hydrogen 2.789 N/A GLY 38.A N TRP 33.A O no hydrogen 3.053 N/A ASP 40.A N LYS 37.A O no hydrogen 3.069 N/A TRP 41.A N LYS 37.A O no hydrogen 3.439 N/A VAL 42.A N GLY 38.A O no hydrogen 2.743 N/A LYS 43.A N LEU 39.A O no hydrogen 2.686 N/A LYS 43.A NZ ASP 40.A OD1 no hydrogen 3.557 N/A GLU 44.A N ASP 40.A O no hydrogen 3.013 N/A GLU 45.A N TRP 41.A O no hydrogen 3.064 N/A ALA 46.A N VAL 42.A O no hydrogen 3.216 N/A ASP 48.A N LYS 21.A O no hydrogen 2.785 N/A ILE 49.A N LYS 21.A O no hydrogen 3.124 N/A LEU 50.A N LEU 92.A O no hydrogen 2.979 N/A CYS 51.A N CYS 23.A O no hydrogen 2.795 N/A LEU 52.A N GLY 90.A O no hydrogen 3.033 N/A GLN 53.A N TRP 25.A O no hydrogen 3.034 N/A GLN 53.A NE2 SER 24.A OG no hydrogen 2.928 N/A GLN 53.A NE2 CYS 51.A O no hydrogen 3.050 N/A GLN 53.A NE2 THR 127.A OG1 no hydrogen 3.112 N/A THR 55.A N GLY 88.A O no hydrogen 2.886 N/A LYS 56.A N SER 87.A O no hydrogen 2.778 N/A CYS 57.A SG SER 58.A O no hydrogen 3.281 N/A ARG 62.A N SER 58.A O no hydrogen 3.188 N/A SER 73.A OG HIS 74.A ND1 no hydrogen 2.706 N/A HIS 74.A N SER 93.A O no hydrogen 3.400 N/A GLN 75.A NE2 LEU 66.A O no hydrogen 2.548 N/A GLN 75.A NE2 LEU 72.A O no hydrogen 3.116 N/A TYR 76.A N LEU 91.A O no hydrogen 2.828 N/A SER 78.A N VAL 89.A O no hydrogen 3.306 N/A SER 81.A N GLN 111.A O no hydrogen 3.265 N/A SER 81.A OG GLN 111.A OE1 no hydrogen 3.283 N/A SER 87.A OG GLU 112.A O no hydrogen 2.834 N/A GLY 88.A N SER 87.A OG no hydrogen 2.624 N/A VAL 89.A N SER 78.A O no hydrogen 3.194 N/A GLY 90.A N LEU 52.A O no hydrogen 2.871 N/A LEU 91.A N TYR 76.A O no hydrogen 2.773 N/A LEU 92.A N LEU 50.A O no hydrogen 2.674 N/A SER 93.A OG.A HIS 74.A O no hydrogen 3.272 N/A SER 93.A OG.A GLN 95.A O no hydrogen 2.738 N/A SER 93.A OG.B GLN 95.A O no hydrogen 2.265 N/A ARG 94.A N ASP 48.A O no hydrogen 2.843 N/A CYS 96.A SG PRO 97.A O no hydrogen 3.313 N/A LEU 98.A N GLU 119.A O no hydrogen 2.894 N/A GLY 103.A N VAL 115.A O no hydrogen 3.358 N/A ILE 104.A N ASP 110.A OD1 no hydrogen 2.825 N/A ILE 104.A N ASP 110.A OD2 no hydrogen 3.060 N/A ASP 106.A N ASP 110.A OD2 no hydrogen 3.228 N/A GLU 108.A N ASP 106.A OD1 no hydrogen 2.906 N/A HIS 109.A ND1 TYR 142.A OH no hydrogen 3.348 N/A ASP 110.A N GLU 107.A O no hydrogen 3.301 N/A GLN 111.A NE2 GLU 107.A O no hydrogen 3.352 N/A ARG 114.A NE GLU 112.A OE1 no hydrogen 2.956 N/A ARG 114.A NH1 TYR 129.A O no hydrogen 2.668 N/A ARG 114.A NH2 GLU 112.A OE1 no hydrogen 2.956 N/A ILE 116.A N THR 127.A O no hydrogen 3.052 N/A VAL 117.A N SER 101.A O no hydrogen 2.797 N/A ALA 118.A N LEU 125.A O no hydrogen 2.954 N/A GLU 119.A N LYS 99.A O no hydrogen 3.165 N/A PHE 120.A N PHE 123.A O no hydrogen 2.675 N/A VAL 124.A N PRO 162.A O no hydrogen 2.766 N/A LEU 125.A N ALA 118.A O no hydrogen 2.908 N/A VAL 126.A N VAL 164.A O no hydrogen 2.915 N/A THR 127.A N ILE 116.A O no hydrogen 3.008 N/A THR 127.A OG1 CYS 166.A O no hydrogen 3.439 N/A ALA 128.A N CYS 166.A O no hydrogen 3.047 N/A TYR 129.A N ARG 114.A O no hydrogen 3.082 N/A TYR 129.A OH GLU 54.A OE1 no hydrogen 2.765 N/A VAL 130.A N ASP 168.A O no hydrogen 3.010 N/A ASN 132.A ND2 ASN 170.A OD1 no hydrogen 2.850 N/A GLY 134.A N ASN 132.A OD1 no hydrogen 2.548 N/A LEU 137.A N GLY 134.A O no hydrogen 3.043 N/A ARG 139.A N ALA 133.A O no hydrogen 2.887 N/A ARG 139.A NH1 GLU 112.A OE1 no hydrogen 3.285 N/A ARG 139.A NH2 GLU 112.A OE1 no hydrogen 3.466 N/A ARG 139.A NH2 GLU 112.A OE2 no hydrogen 2.658 N/A LEU 140.A N LEU 137.A O no hydrogen 3.304 N/A TYR 142.A OH HIS 109.A ND1 no hydrogen 3.348 N/A ARG 143.A N ARG 139.A O no hydrogen 2.687 N/A ARG 143.A N LEU 140.A O no hydrogen 3.065 N/A ARG 143.A NE PRO 131.A O no hydrogen 2.933 N/A GLN 144.A N LEU 140.A O no hydrogen 3.034 N/A ARG 145.A N GLU 141.A O no hydrogen 3.382 N/A ARG 145.A NH2 GLU 108.A OE1 no hydrogen 2.808 N/A TRP 146.A N TYR 142.A O no hydrogen 3.053 N/A ASP 147.A N ARG 143.A O no hydrogen 2.528 N/A GLU 148.A N GLN 144.A O no hydrogen 3.046 N/A ALA 149.A N ARG 145.A O no hydrogen 3.143 N/A PHE 150.A N TRP 146.A O no hydrogen 2.819 N/A ARG 151.A N ASP 147.A O no hydrogen 3.024 N/A LYS 152.A N GLU 148.A O no hydrogen 2.976 N/A PHE 153.A N ALA 149.A O no hydrogen 2.713 N/A LEU 154.A N PHE 150.A O no hydrogen 2.866 N/A LYS 155.A N ARG 151.A O no hydrogen 3.093 N/A LEU 157.A N PHE 153.A O no hydrogen 3.318 N/A ALA 158.A N LEU 154.A O no hydrogen 2.925 N/A SER 159.A N LYS 155.A O no hydrogen 3.109 N/A SER 159.A N GLY 156.A O no hydrogen 3.134 N/A SER 159.A OG GLY 156.A O no hydrogen 2.669 N/A ARG 160.A N LEU 157.A O no hydrogen 3.194 N/A ARG 160.A NH2 GLU 119.A OE1 no hydrogen 3.299 N/A LYS 161.A N LEU 157.A O no hydrogen 3.202 N/A LYS 161.A NZ GLU 119.A OE2 no hydrogen 2.681 N/A LYS 161.A NZ PHE 120.A O no hydrogen 2.661 N/A LEU 163.A N SER 246.A OG no hydrogen 2.696 N/A VAL 164.A N VAL 124.A O no hydrogen 2.957 N/A LEU 165.A N LEU 244.A O no hydrogen 2.811 N/A CYS 166.A N VAL 126.A O no hydrogen 2.882 N/A CYS 166.A SG THR 127.A OG1 no hydrogen 3.766 N/A GLY 167.A N TYR 242.A O no hydrogen 3.288 N/A LEU 169.A N LEU 240.A O no hydrogen 2.978 N/A ASN 170.A N ASP 168.A OD1 no hydrogen 2.991 N/A ASN 170.A ND2 VAL 130.A O no hydrogen 3.273 N/A ALA 172.A N GLY 189.A O no hydrogen 2.858 N/A HIS 173.A N TYR 242.A OH no hydrogen 3.387 N/A GLU 174.A N ASP 177.A OD2 no hydrogen 2.736 N/A ASP 177.A N GLU 174.A O no hydrogen 2.606 N/A LEU 178.A N GLU 175.A O no hydrogen 3.399 N/A ARG 179.A N GLY 237.A O no hydrogen 3.170 N/A ARG 179.A NH1 LYS 234.A O no hydrogen 2.562 N/A ARG 179.A NH1 ASN 235.A O no hydrogen 2.669 N/A GLY 183.A N ASN 180.A OD1 no hydrogen 3.374 N/A ASN 184.A N PRO 181.A O no hydrogen 3.196 N/A ASN 184.A ND2 ASN 180.A O no hydrogen 2.530 N/A LYS 185.A N LYS 182.A O no hydrogen 3.386 N/A ASN 187.A N ASN 184.A O no hydrogen 2.746 N/A GLY 189.A N GLU 194.A OE1 no hydrogen 2.351 N/A GLY 189.A N GLU 194.A OE2 no hydrogen 3.210 N/A PHE 190.A N ASN 187.A O no hydrogen 3.428 N/A THR 191.A N GLU 194.A OE1 no hydrogen 3.412 N/A THR 191.A OG1 GLU 194.A OE1 no hydrogen 2.857 N/A GLN 193.A N GLN 193.A OE1 no hydrogen 2.606 N/A GLU 194.A N THR 191.A OG1 no hydrogen 3.418 N/A ARG 195.A N THR 191.A O no hydrogen 3.026 N/A ARG 195.A NE HIS 173.A O no hydrogen 2.963 N/A ARG 195.A NH2 HIS 173.A O no hydrogen 3.490 N/A GLN 196.A N PRO 192.A O no hydrogen 2.768 N/A GLY 197.A N GLN 193.A O no hydrogen 2.846 N/A PHE 198.A N GLU 194.A O no hydrogen 3.036 N/A PHE 198.A N ARG 195.A O no hydrogen 2.744 N/A GLY 199.A N ARG 195.A O no hydrogen 2.964 N/A GLU 200.A N GLN 196.A O no hydrogen 2.924 N/A LEU 201.A N PHE 198.A O no hydrogen 2.711 N/A LEU 202.A N PHE 198.A O no hydrogen 2.891 N/A GLN 203.A N GLY 199.A O no hydrogen 2.743 N/A LEU 207.A N LEU 202.A O no hydrogen 3.206 N/A ALA 208.A N LEU 245.A O no hydrogen 2.783 N/A SER 210.A N PHE 243.A O no hydrogen 3.061 N/A SER 210.A OG PHE 243.A O no hydrogen 2.898 N/A SER 210.A OG SER 256.A OG no hydrogen 2.976 N/A ARG 212.A N ASP 209.A OD1 no hydrogen 3.131 N/A ARG 212.A NE ASP 177.A OD1 no hydrogen 2.833 N/A ARG 212.A NH1 THR 218.A O no hydrogen 2.455 N/A ARG 212.A NH2 ASP 177.A OD1 no hydrogen 2.390 N/A HIS 213.A N ASP 209.A O no hydrogen 2.814 N/A LEU 214.A N SER 210.A O no hydrogen 3.230 N/A LEU 214.A N PHE 211.A O no hydrogen 3.230 N/A TYR 215.A N PHE 211.A O no hydrogen 2.904 N/A TYR 215.A OH ASP 255.A OD1 no hydrogen 2.569 N/A THR 218.A N TYR 215.A O no hydrogen 3.140 N/A THR 223.A N TRP 238.A O no hydrogen 2.862 N/A THR 223.A OG1 TRP 238.A O no hydrogen 3.523 N/A THR 223.A OG1 ASP 241.A OD1 no hydrogen 2.735 N/A PHE 224.A N TRP 238.A O no hydrogen 2.882 N/A TRP 225.A N ASP 266.A O no hydrogen 3.085 N/A TRP 225.A NE1 ASN 235.A OD1 no hydrogen 2.951 N/A TYR 227.A OH ASP 28.A OD1 no hydrogen 3.012 N/A MET 228.A N THR 226.A OG1 no hydrogen 3.415 N/A ALA 231.A N MET 228.A O no hydrogen 3.242 N/A ARG 232.A NH2 SER 260.A O no hydrogen 3.153 N/A ARG 232.A NH2 ALA 262.A O no hydrogen 2.679 N/A SER 233.A N ASN 230.A O no hydrogen 3.066 N/A SER 233.A OG ASN 230.A O no hydrogen 3.341 N/A SER 233.A OG ASN 230.A OD1 no hydrogen 2.710 N/A LYS 234.A N ALA 231.A O no hydrogen 2.844 N/A ASN 235.A N ARG 232.A O no hydrogen 3.222 N/A ASN 235.A ND2 ALA 1.A O no hydrogen 2.926 N/A ASN 235.A ND2 TYR 220.A O no hydrogen 3.160 N/A VAL 236.A N ALA 231.A O no hydrogen 3.078 N/A TRP 238.A N PHE 224.A O no hydrogen 2.701 N/A ARG 239.A N ASP 177.A O no hydrogen 2.752 N/A ARG 239.A NE ASP 177.A OD1 no hydrogen 2.932 N/A ARG 239.A NH1 ASP 209.A OD1 no hydrogen 2.911 N/A ARG 239.A NH1 ASP 209.A OD2 no hydrogen 3.322 N/A ARG 239.A NH2 ASP 177.A OD1 no hydrogen 3.223 N/A ARG 239.A NH2 ASP 209.A OD1 no hydrogen 3.289 N/A ARG 239.A NH2 ASP 209.A OD2 no hydrogen 3.064 N/A LEU 240.A N THR 223.A OG1 no hydrogen 2.695 N/A ASP 241.A N THR 223.A OG1 no hydrogen 2.975 N/A TYR 242.A N GLY 167.A O no hydrogen 3.119 N/A TYR 242.A OH VAL 171.A O no hydrogen 2.667 N/A LEU 244.A N LEU 165.A O no hydrogen 2.814 N/A LEU 245.A N ALA 208.A O no hydrogen 2.977 N/A SER 246.A N LEU 163.A O no hydrogen 2.931 N/A SER 246.A OG LEU 163.A O no hydrogen 3.160 N/A LEU 249.A N SER 246.A O no hydrogen 2.796 N/A LEU 250.A N HIS 247.A O no hydrogen 2.850 N/A ALA 252.A N LEU 249.A O no hydrogen 3.114 N/A LEU 253.A N LEU 250.A O no hydrogen 2.668 N/A CYS 254.A N TYR 273.A O no hydrogen 2.973 N/A CYS 254.A SG ALA 252.A O no hydrogen 3.627 N/A SER 256.A N ASP 255.A OD1 no hydrogen 2.660 N/A SER 256.A OG SER 210.A OG no hydrogen 2.976 N/A LYS 257.A N THR 271.A O no hydrogen 2.875 N/A LYS 257.A NZ ASP 5.A OD1 no hydrogen 3.538 N/A LYS 257.A NZ PRO 6.A O no hydrogen 2.851 N/A LYS 257.A NZ PRO 7.A O no hydrogen 3.484 N/A LYS 257.A NZ TYR 215.A OH no hydrogen 3.534 N/A LYS 257.A NZ ASP 255.A OD1 no hydrogen 3.506 N/A LYS 257.A NZ ASP 255.A OD2 no hydrogen 3.081 N/A ILE 258.A N ASP 5.A OD2 no hydrogen 2.677 N/A ARG 259.A N PRO 269.A O no hydrogen 2.742 N/A ARG 259.A NE GLU 45.A OE2 no hydrogen 2.968 N/A ARG 259.A NE THR 271.A OG1 no hydrogen 3.296 N/A ARG 259.A NH1 ASP 8.A OD1 no hydrogen 3.379 N/A ARG 259.A NH1 ASP 8.A OD2 no hydrogen 3.142 N/A ARG 259.A NH2 ASP 8.A OD1 no hydrogen 3.093 N/A ARG 259.A NH2 GLU 45.A OE2 no hydrogen 2.846 N/A SER 260.A N ILE 258.A O no hydrogen 2.756 N/A ALA 262.A N ARG 259.A O no hydrogen 3.108 N/A SER 265.A OG ASN 26.A O no hydrogen 2.963 N/A SER 265.A OG VAL 27.A O no hydrogen 2.725 N/A SER 265.A OG ASP 266.A OD2 no hydrogen 3.285 N/A HIS 267.A N SER 265.A OG no hydrogen 3.292 N/A HIS 267.A ND1 ASP 241.A OD1 no hydrogen 2.920 N/A CYS 268.A N THR 223.A O no hydrogen 2.995 N/A CYS 268.A SG TYR 222.A O no hydrogen 4.005 N/A CYS 268.A SG PRO 269.A O no hydrogen 3.417 N/A ILE 270.A N SER 24.A O no hydrogen 3.110 N/A THR 271.A N LYS 257.A O no hydrogen 2.976 N/A THR 271.A OG1 GLU 45.A OE2 no hydrogen 2.481 N/A LEU 272.A N ILE 22.A O no hydrogen 2.810 N/A TYR 273.A N ASP 255.A O no hydrogen 3.074 N/A TYR 273.A OH ASP 8.A OD1 no hydrogen 2.621 N/A LEU 274.A N LEU 20.A O no hydrogen 2.885 N/A ALA 275.A N ALA 252.A O no hydrogen 2.892 N/A LEU 276.A N THR 19.A OG1 no hydrogen 2.740 N/A