Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6pdk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 3.A N ASP 15.A OD1 no hydrogen 2.914 N/A THR 4.A N GLN 3.A OE1 no hydrogen 3.310 N/A GLY 5.A N TYR 13.A O no hydrogen 2.865 N/A ARG 6.A NH1 PRO 66.A O no hydrogen 2.766 N/A ARG 6.A NH2 GLY 61.A O no hydrogen 2.874 N/A ARG 6.A NH2 ALA 64.A O no hydrogen 2.795 N/A ARG 6.A NH2 PRO 66.A O no hydrogen 3.105 N/A THR 7.A OG1 THR 12.A OG1 no hydrogen 2.646 N/A ILE 8.A N HIS 11.A O no hydrogen 2.938 N/A HIS 11.A N ILE 8.A O no hydrogen 2.894 N/A THR 12.A OG1 THR 7.A OG1 no hydrogen 2.646 N/A TYR 13.A N ARG 6.A O no hydrogen 3.016 N/A ASP 15.A N GLN 3.A O no hydrogen 3.210 N/A ALA 16.A N THR 14.A OG1 no hydrogen 3.133 N/A VAL 18.A N ILE 29.A O no hydrogen 2.795 N/A VAL 20.A N PHE 27.A O no hydrogen 2.705 N/A LEU 22.A N ASN 25.A O no hydrogen 3.029 N/A ASN 25.A N LEU 22.A O no hydrogen 3.136 N/A PHE 27.A N VAL 20.A O no hydrogen 2.739 N/A ARG 28.A N THR 245.A O no hydrogen 2.952 N/A ARG 28.A NE ASP 19.A OD1 no hydrogen 2.474 N/A ARG 28.A NH2 ASP 19.A OD1 no hydrogen 3.039 N/A ILE 29.A N VAL 18.A O no hydrogen 2.937 N/A ALA 31.A N ALA 16.A O no hydrogen 2.982 N/A ASN 32.A ND2 THR 58.A O no hydrogen 2.912 N/A TYR 33.A N PRO 30.A O no hydrogen 2.890 N/A LEU 34.A N ALA 31.A O no hydrogen 2.969 N/A ASP 35.A N THR 47.A O no hydrogen 2.958 N/A SER 36.A OG ALA 39.A O no hydrogen 2.825 N/A GLN 37.A N LEU 34.A O no hydrogen 2.906 N/A GLN 37.A NE2 ASN 32.A O no hydrogen 3.187 N/A GLN 37.A NE2 ALA 59.A O no hydrogen 3.054 N/A ILE 38.A N SER 36.A OG no hydrogen 2.973 N/A ALA 39.A N SER 36.A OG no hydrogen 3.166 N/A TRP 41.A NE1 ASP 35.A OD2 no hydrogen 3.118 N/A VAL 46.A N ILE 79.A O no hydrogen 2.976 N/A LEU 48.A N ILE 77.A O no hydrogen 2.717 N/A VAL 49.A N TYR 33.A O no hydrogen 2.879 N/A ILE 50.A N ILE 75.A O no hydrogen 3.141 N/A GLU 51.A N LYS 56.A O no hydrogen 2.955 N/A TRP 52.A N LYS 73.A O no hydrogen 2.795 N/A TRP 52.A NE1 ASP 230.A OD2 no hydrogen 3.091 N/A MET 55.A N GLU 51.A O no hydrogen 2.777 N/A THR 58.A OG1 GLU 51.A OE2 no hydrogen 2.592 N/A ALA 62.A N ALA 59.A O no hydrogen 2.904 N/A ARG 63.A N GLN 37.A OE1 no hydrogen 2.856 N/A ARG 63.A NE ASP 35.A O no hydrogen 2.863 N/A ARG 63.A NH1 THR 58.A OG1 no hydrogen 2.888 N/A ARG 63.A NH1 GLU 74.A OE2 no hydrogen 2.895 N/A ARG 63.A NH2 LEU 34.A O no hydrogen 3.042 N/A ALA 64.A N GLY 61.A O no hydrogen 2.933 N/A ARG 67.A NH1 ASN 69.A OD1 no hydrogen 2.859 N/A ARG 67.A NH1 GLU 74.A OE2 no hydrogen 2.839 N/A THR 68.A N ALA 62.A O no hydrogen 2.814 N/A ASN 69.A ND2 GLU 51.A OE2 no hydrogen 2.947 N/A ASN 69.A ND2 GLU 74.A OE2 no hydrogen 3.097 N/A ARG 72.A N ASP 70.A OD1 no hydrogen 2.952 N/A LYS 73.A N ASP 70.A O no hydrogen 3.036 N/A LYS 73.A NZ ASP 70.A OD2 no hydrogen 3.372 N/A LYS 73.A NZ GLU 194.A OE2.A no hydrogen 3.334 N/A GLU 74.A N PHE 71.A O no hydrogen 3.253 N/A ILE 75.A N ILE 50.A O no hydrogen 2.698 N/A ILE 77.A N LEU 48.A O no hydrogen 2.695 N/A ARG 78.A N SER 220.A O no hydrogen 2.911 N/A ARG 78.A NE ASP 222.A OD2 no hydrogen 3.366 N/A ARG 78.A NH1 ASP 222.A OD2 no hydrogen 2.779 N/A ILE 79.A N VAL 46.A O no hydrogen 2.870 N/A ASN 80.A N SER 218.A O no hydrogen 2.986 N/A ASN 80.A ND2 GLU 44.A OE1.A no hydrogen 2.583 N/A TYR 81.A N GLU 44.A OE2.A no hydrogen 2.962 N/A VAL 82.A N LYS 216.A O no hydrogen 2.770 N/A THR 89.A N PRO 86.A O no hydrogen 3.186 N/A THR 89.A OG1 PRO 86.A O no hydrogen 3.502 N/A LEU 90.A N VAL 87.A O no hydrogen 3.310 N/A SER 92.A OG THR 89.A O no hydrogen 2.922 N/A ARG 93.A N THR 89.A O no hydrogen 2.911 N/A LEU 94.A N LEU 90.A O no hydrogen 2.861 N/A SER 95.A N LEU 91.A O no hydrogen 3.207 N/A SER 95.A OG LEU 91.A O no hydrogen 2.716 N/A SER 95.A OG SER 92.A O no hydrogen 3.164 N/A SER 96.A N ARG 93.A O no hydrogen 3.277 N/A SER 96.A OG GLU 98.A OE1 no hydrogen 2.592 N/A ASN 97.A N SER 96.A OG no hydrogen 2.764 N/A ASN 97.A ND2 ARG 108.A O no hydrogen 2.972 N/A ILE 100.A N ASN 97.A O no hydrogen 3.291 N/A THR 101.A OG1 ASN 97.A O no hydrogen 2.519 N/A SER 105.A N GLU 102.A O no hydrogen 2.908 N/A SER 105.A OG GLU 102.A O no hydrogen 2.480 N/A ARG 108.A N SER 105.A OG no hydrogen 3.302 N/A ARG 108.A NE THR 101.A OG1 no hydrogen 2.561 N/A ARG 108.A NH1 THR 101.A O no hydrogen 2.955 N/A GLY 109.A N VAL 106.A O no hydrogen 3.163 N/A ASP 110.A N GLU 107.A O no hydrogen 2.879 N/A ARG 112.A N ASP 110.A OD1 no hydrogen 3.058 N/A ARG 112.A NE ASP 110.A OD1 no hydrogen 2.874 N/A ARG 112.A NH1 VAL 153.A O no hydrogen 2.975 N/A ARG 112.A NH1 GLU 159.A OE2 no hydrogen 3.312 N/A ARG 112.A NH2 ASP 110.A OD1 no hydrogen 3.480 N/A ARG 112.A NH2 ASP 110.A OD2 no hydrogen 2.651 N/A ARG 114.A NE ASP 116.A OD1 no hydrogen 3.034 N/A ARG 114.A NH1 ASN 97.A OD1 no hydrogen 2.588 N/A ARG 114.A NH1 GLU 98.A OE2 no hydrogen 3.064 N/A ARG 114.A NH2 GLU 98.A OE2 no hydrogen 3.515 N/A ARG 114.A NH2 ASP 116.A OD2 no hydrogen 2.893 N/A LEU 115.A N SER 95.A O no hydrogen 2.720 N/A GLN 117.A N ARG 114.A O no hydrogen 3.103 N/A GLN 117.A NE2 ASP 116.A OD1 no hydrogen 3.148 N/A ARG 118.A N LEU 115.A O no hydrogen 3.019 N/A ARG 118.A NE ARG 112.A O no hydrogen 3.087 N/A ARG 118.A NH1 TYR 130.A O no hydrogen 3.007 N/A ARG 118.A NH1 ARG 160.A O no hydrogen 2.784 N/A ARG 118.A NH2 ARG 112.A O no hydrogen 3.031 N/A ARG 118.A NH2 ARG 160.A O no hydrogen 3.112 N/A VAL 119.A N ALA 131.A O no hydrogen 2.907 N/A LYS 121.A N PRO 129.A O no hydrogen 2.825 N/A THR 124.A N LEU 127.A O no hydrogen 2.949 N/A GLY 126.A N GLN 123.A OE1 no hydrogen 3.292 N/A LEU 127.A N THR 124.A O no hydrogen 2.822 N/A THR 128.A N ILE 164.A O no hydrogen 2.768 N/A TYR 130.A N TRP 162.A O no hydrogen 2.821 N/A ALA 131.A N VAL 119.A O no hydrogen 2.970 N/A LYS 136.A N ASP 133.A OD1 no hydrogen 3.096 N/A MET 137.A N ASP 133.A O no hydrogen 3.216 N/A VAL 138.A N GLU 134.A O no hydrogen 3.202 N/A TYR 140.A N LYS 136.A O no hydrogen 2.961 N/A ALA 141.A N MET 137.A O no hydrogen 2.588 N/A LYS 142.A N VAL 138.A O no hydrogen 3.014 N/A LYS 142.A N VAL 139.A O no hydrogen 3.227 N/A LYS 143.A N VAL 139.A O no hydrogen 3.275 N/A TYR 144.A N TYR 140.A O no hydrogen 2.764 N/A GLU 145.A N ALA 141.A O no hydrogen 2.911 N/A ALA 146.A N LYS 142.A O no hydrogen 2.869 N/A ARG 147.A N TYR 144.A O no hydrogen 3.337 N/A ARG 147.A NH2 ARG 147.A O no hydrogen 2.604 N/A TYR 148.A N TYR 144.A O no hydrogen 2.896 N/A TYR 148.A OH GLU 107.A OE2 no hydrogen 3.044 N/A GLY 149.A N GLU 145.A O no hydrogen 2.563 N/A ARG 154.A NE GLU 159.A OE2 no hydrogen 2.581 N/A ARG 154.A NH1 GLU 134.A OE1 no hydrogen 2.773 N/A ARG 154.A NH2 GLU 134.A OE1 no hydrogen 3.201 N/A ARG 154.A NH2 GLU 134.A OE2 no hydrogen 2.802 N/A ARG 154.A NH2 GLU 159.A OE1 no hydrogen 3.067 N/A ARG 154.A NH2 GLU 159.A OE2 no hydrogen 3.474 N/A ALA 157.A N ASN 155.A OD1 no hydrogen 3.445 N/A TYR 158.A N ASN 155.A O no hydrogen 2.852 N/A GLU 159.A N PRO 156.A O no hydrogen 3.099 N/A ARG 160.A NH2 ASP 179.A OD1 no hydrogen 2.911 N/A ASP 161.A N CYS 178.A O no hydrogen 2.946 N/A TYR 163.A N ILE 176.A O no hydrogen 2.794 N/A ILE 164.A N THR 128.A O no hydrogen 2.947 N/A ALA 165.A N SER 174.A O no hydrogen 3.181 N/A ARG 166.A NH1 TYR 130.A OH no hydrogen 2.863 N/A ARG 166.A NH2 TYR 130.A OH no hydrogen 3.326 N/A GLN 167.A N ARG 171.A O no hydrogen 2.957 N/A GLY 170.A N GLN 167.A O no hydrogen 3.009 N/A ARG 171.A N ASP 169.A OD1 no hydrogen 3.343 N/A ARG 171.A NH1 ASP 169.A OD1 no hydrogen 3.541 N/A SER 173.A N ALA 165.A O no hydrogen 2.842 N/A SER 173.A OG ALA 165.A O no hydrogen 3.305 N/A SER 173.A OG GLN 167.A OE1 no hydrogen 3.160 N/A SER 174.A N ALA 165.A O no hydrogen 3.269 N/A SER 174.A OG GLU 235.A OE1 no hydrogen 3.423 N/A SER 174.A OG GLU 235.A OE2 no hydrogen 2.532 N/A PHE 175.A N TYR 209A.A O no hydrogen 3.024 N/A ILE 176.A N TYR 163.A O no hydrogen 2.967 N/A LYS 177.A N VAL 207.A O no hydrogen 2.858 N/A CYS 178.A N ASP 161.A O no hydrogen 2.843 N/A ASP 179.A N GLY 205.A O no hydrogen 2.935 N/A PHE 183.A N GLY 180.A O no hydrogen 2.987 N/A ARG 184.A N GLY 180.A O no hydrogen 3.033 N/A ARG 185.A NH2 GLU 198.A OE2 no hydrogen 3.345 N/A ARG 189.A N ILE 196.A O no hydrogen 3.243 N/A ARG 189.A NH2 GLU 198.A OE1 no hydrogen 3.057 N/A GLU 191.A N GLU 194.A O.B no hydrogen 3.424 N/A ARG 193.A NH1 ASP 54.A OD2 no hydrogen 2.231 N/A ILE 196.A N ARG 189.A O no hydrogen 3.357 N/A GLU 198.A N GLY 187.A O no hydrogen 2.782 N/A GLU 201.A N GLU 198.A O no hydrogen 3.192 N/A ALA 204.A N ARG 185.A O no hydrogen 3.014 N/A GLY 205.A N ASP 179.A OD2 no hydrogen 2.760 N/A CYS 206.A N TYR 223.A O no hydrogen 2.827 N/A VAL 207.A N LYS 177.A O no hydrogen 2.738 N/A HIS 208.A N LEU 221.A O no hydrogen 2.908 N/A HIS 208.A ND1 TYR 223.A OH no hydrogen 2.926 N/A HIS 208.A NE2 GLU 235.A OE2 no hydrogen 2.719 N/A PHE 210.A N VAL 219.A O no hydrogen 3.010 N/A ASP 212.A N LEU 217.A O no hydrogen 2.872 N/A ASN 215.A N ASP 212.A OD1 no hydrogen 2.813 N/A ASN 215.A ND2 ASP 212.A OD2 no hydrogen 2.970 N/A LYS 216.A N ILE 213.A O no hydrogen 3.196 N/A LEU 217.A N ASP 212.A O no hydrogen 3.044 N/A SER 218.A N ASN 80.A O no hydrogen 2.901 N/A VAL 219.A N PHE 210.A O no hydrogen 2.786 N/A SER 220.A N ARG 78.A O no hydrogen 2.967 N/A LEU 221.A N HIS 208.A O no hydrogen 2.850 N/A ASP 222.A N PRO 76.A O no hydrogen 3.298 N/A TYR 223.A N CYS 206.A O no hydrogen 3.210 N/A TYR 223.A OH HIS 208.A ND1 no hydrogen 2.926 N/A LYS 224.A NZ ARG 72.A O no hydrogen 2.856 N/A ARG 225.A N ALA 204.A O no hydrogen 2.795 N/A ARG 225.A NE ASP 186.A OD1 no hydrogen 2.971 N/A ARG 225.A NH1 ASP 179.A O no hydrogen 2.701 N/A ARG 225.A NH1 ARG 184.A O no hydrogen 3.042 N/A ARG 225.A NH2 ARG 184.A O no hydrogen 2.955 N/A ARG 225.A NH2 ASP 186.A OD1 no hydrogen 2.612 N/A PHE 227.A N LYS 224.A O no hydrogen 2.857 N/A LEU 228.A N ARG 225.A O no hydrogen 3.032 N/A LYS 229.A NZ ASP 230.A OD2 no hydrogen 2.785 N/A ASP 230.A N PHE 227.A O no hydrogen 2.986 N/A TRP 231.A N LEU 228.A O no hydrogen 2.905 N/A TRP 231.A NE1 LEU 125.A O no hydrogen 2.852 N/A LYS 232.A NZ LYS 232.A O no hydrogen 3.174 N/A MET 234.A N ASP 230.A O no hydrogen 3.225 N/A GLU 235.A N TRP 231.A O no hydrogen 3.109 N/A GLU 236.A N LYS 232.A O no hydrogen 2.910 N/A ALA 237.A N ARG 233.A O no hydrogen 2.861 N/A VAL 238.A N MET 234.A O no hydrogen 3.059 N/A ARG 239.A N GLU 235.A O no hydrogen 2.850 N/A ARG 239.A NH1 VAL 211.A O no hydrogen 2.946 N/A ARG 239.A NH2 VAL 211.A O no hydrogen 3.062 N/A ASP 240.A N GLU 236.A O no hydrogen 2.986 N/A VAL 241.A N ALA 237.A O no hydrogen 3.137 N/A ILE 242.A N VAL 238.A O no hydrogen 2.930 N/A ALA 243.A N ARG 239.A O no hydrogen 2.793 N/A ARG 244.A N ASP 240.A O no hydrogen 2.772 N/A THR 245.A N VAL 241.A O no hydrogen 2.932 N/A THR 245.A OG1 VAL 241.A O no hydrogen 2.730 N/A SER 247.A N THR 26.A O no hydrogen 2.799 N/A TYR 209A.A N PHE 175.A O no hydrogen 2.714 N/A