Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1qkt_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N SER 2.A O no hydrogen 2.530 N/A SER 6.A N SER 2.A O no hydrogen 3.334 N/A SER 6.A OG SER 2.A O no hydrogen 2.548 N/A MET 12.A N THR 8.A O no hydrogen 2.923 N/A VAL 13.A N ALA 9.A O no hydrogen 2.998 N/A SER 14.A N ASP 10.A O no hydrogen 3.073 N/A SER 14.A OG ASP 10.A O no hydrogen 2.975 N/A ALA 15.A N GLN 11.A O no hydrogen 2.940 N/A LEU 16.A N MET 12.A O no hydrogen 2.815 N/A LEU 17.A N VAL 13.A O no hydrogen 2.812 N/A ASP 18.A N SER 14.A O no hydrogen 2.933 N/A ALA 19.A N ALA 15.A O no hydrogen 3.034 N/A GLU 20.A N LEU 17.A O no hydrogen 3.181 N/A SER 26.A N ASN 104.A OD1 no hydrogen 2.941 N/A TYR 28.A OH ASN 104.A O no hydrogen 2.369 N/A THR 31.A N ASP 29.A OD1 no hydrogen 3.315 N/A THR 31.A OG1 ASP 29.A OD1 no hydrogen 2.786 N/A ARG 32.A N ASP 29.A O no hydrogen 3.132 N/A ALA 37.A N PHE 34.A O no hydrogen 2.894 N/A GLY 41.A N SER 38.A OG no hydrogen 3.162 N/A LEU 42.A N SER 38.A O no hydrogen 2.898 N/A LEU 43.A N MET 39.A O no hydrogen 2.917 N/A THR 44.A N MET 40.A O no hydrogen 2.739 N/A THR 44.A OG1 MET 40.A O no hydrogen 3.287 N/A ASN 45.A N GLY 41.A O no hydrogen 2.996 N/A ASN 45.A ND2 GLU 27.A OE2 no hydrogen 3.374 N/A LEU 46.A N LEU 42.A O no hydrogen 3.020 N/A ALA 47.A N LEU 43.A O no hydrogen 3.039 N/A ASP 48.A N THR 44.A O no hydrogen 3.039 N/A ARG 49.A N ASN 45.A O no hydrogen 3.159 N/A ARG 49.A NH1 TYR 25.A O no hydrogen 2.795 N/A ARG 49.A NH2 TYR 25.A O no hydrogen 2.677 N/A GLU 50.A N LEU 46.A O no hydrogen 2.888 N/A LEU 51.A N ALA 47.A O no hydrogen 2.908 N/A MET 54.A N GLU 50.A O no hydrogen 2.768 N/A ILE 55.A N LEU 51.A O no hydrogen 3.064 N/A TRP 57.A N HIS 53.A O no hydrogen 3.134 N/A ALA 58.A N MET 54.A O no hydrogen 2.883 N/A LYS 59.A N ILE 55.A O no hydrogen 3.093 N/A ARG 60.A N TRP 57.A O no hydrogen 2.971 N/A VAL 61.A N ALA 58.A O no hydrogen 2.882 N/A PHE 64.A N VAL 61.A O no hydrogen 2.987 N/A ASP 66.A N GLY 63.A O no hydrogen 3.380 N/A LEU 67.A N PHE 64.A O no hydrogen 3.112 N/A THR 68.A N GLU 168.A OE1 no hydrogen 3.084 N/A THR 68.A OG1 GLU 168.A OE1 no hydrogen 3.510 N/A ASP 71.A N THR 68.A OG1 no hydrogen 3.161 N/A GLN 72.A N THR 68.A O no hydrogen 2.861 N/A GLN 72.A NE2 LEU 67.A O no hydrogen 2.967 N/A GLN 72.A NE2 THR 68.A O no hydrogen 3.548 N/A VAL 73.A N LEU 69.A O no hydrogen 2.910 N/A HIS 74.A N HIS 70.A O no hydrogen 2.934 N/A HIS 74.A NE2 THR 157.A OG1 no hydrogen 2.648 N/A LEU 75.A N ASP 71.A O no hydrogen 3.058 N/A LEU 76.A N GLN 72.A O no hydrogen 3.192 N/A GLU 77.A N VAL 73.A O no hydrogen 2.822 N/A SER 78.A N HIS 74.A O no hydrogen 3.022 N/A ALA 79.A N LEU 75.A O no hydrogen 2.961 N/A TRP 80.A N LEU 76.A O no hydrogen 2.789 N/A ILE 83.A N ALA 79.A O no hydrogen 2.969 N/A LEU 84.A N TRP 80.A O no hydrogen 3.048 N/A MET 85.A N LEU 81.A O no hydrogen 2.944 N/A ILE 86.A N GLU 82.A O no hydrogen 2.932 N/A GLY 87.A N ILE 83.A O no hydrogen 3.155 N/A LEU 88.A N LEU 84.A O no hydrogen 2.965 N/A VAL 89.A N MET 85.A O no hydrogen 2.819 N/A TRP 90.A N ILE 86.A O no hydrogen 2.856 N/A ARG 91.A N GLY 87.A O no hydrogen 2.942 N/A ARG 91.A NE LEU 100.A O no hydrogen 3.062 N/A ARG 91.A NH2 PHE 101.A O no hydrogen 2.985 N/A SER 92.A N LEU 88.A O no hydrogen 3.050 N/A SER 92.A OG LEU 88.A O no hydrogen 2.861 N/A MET 93.A N TRP 90.A O no hydrogen 3.282 N/A HIS 95.A N SER 92.A O no hydrogen 2.871 N/A LYS 98.A N HIS 95.A O no hydrogen 2.875 N/A LEU 99.A N LEU 107.A O no hydrogen 2.779 N/A LEU 100.A N SER 92.A OG no hydrogen 2.833 N/A PHE 101.A N LEU 99.A O no hydrogen 3.058 N/A PHE 101.A N LEU 105.A O no hydrogen 3.226 N/A ASN 104.A ND2 SER 26.A O no hydrogen 3.041 N/A LEU 105.A N ALA 102.A O no hydrogen 2.804 N/A LEU 107.A N LEU 99.A O no hydrogen 3.155 N/A ASP 108.A N GLN 111.A OE1 no hydrogen 3.126 N/A ARG 109.A NE ASP 123.A OD1 no hydrogen 2.863 N/A ARG 109.A NH2 ASP 123.A OD2 no hydrogen 2.832 N/A GLN 111.A N ASP 108.A O no hydrogen 3.132 N/A GLN 111.A N ASP 108.A OD1 no hydrogen 2.987 N/A GLY 112.A N ARG 109.A O no hydrogen 3.007 N/A LYS 113.A N ASN 110.A O no hydrogen 3.030 N/A MET 118.A N VAL 115.A O no hydrogen 3.158 N/A PHE 122.A N MET 118.A O no hydrogen 2.958 N/A ASP 123.A N VAL 119.A O no hydrogen 3.105 N/A MET 124.A N GLU 120.A O no hydrogen 3.160 N/A LEU 125.A N ILE 121.A O no hydrogen 3.029 N/A LEU 126.A N PHE 122.A O no hydrogen 2.909 N/A ALA 127.A N ASP 123.A O no hydrogen 3.032 N/A THR 128.A N MET 124.A O no hydrogen 3.004 N/A THR 128.A OG1 MET 124.A O no hydrogen 2.668 N/A THR 128.A OG1 HIS 210.A ND1 no hydrogen 3.274 N/A SER 129.A N LEU 125.A O no hydrogen 2.978 N/A SER 129.A OG VAL 89.A O no hydrogen 3.251 N/A SER 130.A N LEU 126.A O no hydrogen 2.973 N/A SER 130.A OG LEU 126.A O no hydrogen 3.205 N/A ARG 131.A N ALA 127.A O no hydrogen 3.080 N/A PHE 132.A N THR 128.A O no hydrogen 3.040 N/A ARG 133.A N SER 129.A O no hydrogen 3.020 N/A ARG 133.A NH1 MET 93.A O no hydrogen 2.371 N/A MET 134.A N SER 130.A O no hydrogen 2.810 N/A MET 135.A N ARG 131.A O no hydrogen 2.951 N/A ASN 136.A N ARG 133.A O no hydrogen 2.722 N/A LEU 137.A N PHE 132.A O no hydrogen 3.058 N/A GLN 138.A N GLU 141.A OE1 no hydrogen 2.591 N/A GLN 138.A NE2 ASN 136.A O no hydrogen 2.951 N/A PHE 142.A N GLN 138.A O no hydrogen 2.832 N/A VAL 143.A N GLY 139.A O no hydrogen 3.221 N/A CYS 144.A SG GLU 140.A O no hydrogen 3.423 N/A LEU 145.A N GLU 141.A O no hydrogen 2.945 N/A LYS 146.A N PHE 142.A O no hydrogen 2.947 N/A LYS 146.A NZ GLU 20.A OE1 no hydrogen 3.405 N/A LYS 146.A NZ GLU 20.A OE2 no hydrogen 2.688 N/A SER 147.A N VAL 143.A O no hydrogen 3.011 N/A SER 147.A OG VAL 143.A O no hydrogen 2.867 N/A ILE 148.A N CYS 144.A O no hydrogen 2.833 N/A ILE 149.A N LEU 145.A O no hydrogen 2.976 N/A LEU 150.A N LYS 146.A O no hydrogen 3.319 N/A LEU 151.A N SER 147.A O no hydrogen 3.249 N/A ASN 152.A N ILE 148.A O no hydrogen 2.734 N/A SER 153.A N ILE 149.A O no hydrogen 3.059 N/A SER 153.A OG GLU 82.A OE1 no hydrogen 3.240 N/A SER 153.A OG GLU 82.A OE2 no hydrogen 2.693 N/A VAL 155.A N ASN 152.A O no hydrogen 3.362 N/A TYR 156.A OH ASN 152.A OD1 no hydrogen 2.910 N/A THR 157.A N GLY 154.A O no hydrogen 3.320 N/A THR 157.A OG1 HIS 74.A NE2 no hydrogen 2.648 N/A THR 157.A OG1 GLY 154.A O no hydrogen 3.147 N/A SER 160.A OG SER 165.A OG no hydrogen 2.711 N/A THR 162.A OG1 SER 160.A OG no hydrogen 3.347 N/A THR 162.A OG1 SER 165.A OG no hydrogen 2.714 N/A SER 165.A N THR 162.A OG1 no hydrogen 3.153 N/A SER 165.A OG SER 160.A OG no hydrogen 2.711 N/A SER 165.A OG THR 162.A OG1 no hydrogen 2.714 N/A LEU 166.A N THR 162.A O no hydrogen 3.120 N/A GLU 167.A N LEU 163.A O no hydrogen 3.048 N/A GLU 168.A N LYS 164.A O no hydrogen 2.884 N/A LYS 169.A N SER 165.A O no hydrogen 3.023 N/A LYS 169.A NZ SER 160.A O no hydrogen 3.352 N/A LYS 169.A NZ SER 165.A O no hydrogen 3.362 N/A ASP 170.A N LEU 166.A O no hydrogen 2.999 N/A HIS 171.A N GLU 167.A O no hydrogen 3.182 N/A HIS 171.A NE2 GLY 63.A O no hydrogen 3.188 N/A ILE 172.A N GLU 168.A O no hydrogen 3.036 N/A HIS 173.A N LYS 169.A O no hydrogen 2.967 N/A ARG 174.A N ASP 170.A O no hydrogen 2.921 N/A ARG 174.A N HIS 171.A O no hydrogen 3.009 N/A ARG 174.A NE ASP 170.A OD1 no hydrogen 2.764 N/A VAL 175.A N HIS 171.A O no hydrogen 2.921 N/A LEU 176.A N ILE 172.A O no hydrogen 2.935 N/A ASP 177.A N HIS 173.A O no hydrogen 3.160 N/A LYS 178.A N ARG 174.A O no hydrogen 3.221 N/A ILE 179.A N VAL 175.A O no hydrogen 2.979 N/A THR 180.A N LEU 176.A O no hydrogen 2.942 N/A THR 180.A OG1 LEU 176.A O no hydrogen 3.063 N/A ASP 181.A N ASP 177.A O no hydrogen 2.947 N/A THR 182.A N LYS 178.A O no hydrogen 2.976 N/A THR 182.A OG1 LYS 178.A O no hydrogen 3.081 N/A LEU 183.A N ILE 179.A O no hydrogen 3.047 N/A ILE 184.A N THR 180.A O no hydrogen 3.068 N/A HIS 185.A N ASP 181.A O no hydrogen 2.923 N/A LEU 186.A N THR 182.A O no hydrogen 2.749 N/A MET 187.A N LEU 183.A O no hydrogen 3.100 N/A MET 187.A N ILE 184.A O no hydrogen 2.998 N/A ALA 188.A N ILE 184.A O no hydrogen 2.896 N/A LYS 189.A N HIS 185.A O no hydrogen 3.138 N/A GLY 191.A N ALA 188.A O no hydrogen 3.019 N/A LEU 192.A N MET 187.A O no hydrogen 3.206 N/A THR 193.A N GLN 196.A OE1 no hydrogen 3.036 N/A THR 193.A OG1 GLN 196.A OE1 no hydrogen 3.151 N/A GLN 196.A N THR 193.A OG1 no hydrogen 3.201 N/A GLN 197.A N THR 193.A O no hydrogen 2.886 N/A GLN 197.A NE2 LEU 192.A O no hydrogen 3.039 N/A GLN 197.A NE2 THR 193.A O no hydrogen 3.242 N/A HIS 198.A N LEU 194.A O no hydrogen 3.209 N/A GLN 199.A N GLN 195.A O no hydrogen 3.007 N/A ARG 200.A N GLN 196.A O no hydrogen 2.789 N/A ARG 200.A NE GLU 141.A OE2 no hydrogen 2.651 N/A ARG 200.A NH1 MET 135.A O no hydrogen 2.874 N/A ARG 200.A NH2 MET 135.A O no hydrogen 3.104 N/A ARG 200.A NH2 GLU 141.A OE1 no hydrogen 2.839 N/A ARG 200.A NH2 GLU 141.A OE2 no hydrogen 3.216 N/A LEU 201.A N GLN 197.A O no hydrogen 2.951 N/A ALA 202.A N HIS 198.A O no hydrogen 3.173 N/A GLN 203.A N GLN 199.A O no hydrogen 3.107 N/A LEU 204.A N ARG 200.A O no hydrogen 2.961 N/A LEU 205.A N LEU 201.A O no hydrogen 2.969 N/A LEU 206.A N ALA 202.A O no hydrogen 2.867 N/A ILE 207.A N LEU 204.A O no hydrogen 3.066 N/A LEU 208.A N LEU 205.A O no hydrogen 3.013 N/A SER 209.A N LEU 206.A O no hydrogen 3.278 N/A SER 209.A OG LEU 206.A O no hydrogen 2.687 N/A HIS 210.A N ILE 207.A O no hydrogen 2.903 N/A ILE 211.A N ILE 207.A O no hydrogen 3.046 N/A ARG 212.A N LEU 208.A O no hydrogen 3.005 N/A ARG 212.A NH1 SER 153.A O no hydrogen 3.224 N/A ARG 212.A NH2 SER 153.A O no hydrogen 3.374 N/A HIS 213.A N SER 209.A O no hydrogen 3.170 N/A MET 214.A N HIS 210.A O no hydrogen 2.937 N/A SER 215.A N ILE 211.A O no hydrogen 3.078 N/A ASN 216.A N ARG 212.A O no hydrogen 3.014 N/A LYS 217.A N HIS 213.A O no hydrogen 3.040 N/A GLY 218.A N MET 214.A O no hydrogen 2.838 N/A MET 219.A N SER 215.A O no hydrogen 2.617 N/A GLU 220.A N ASN 216.A O no hydrogen 2.999 N/A HIS 221.A N LYS 217.A O no hydrogen 3.194 N/A HIS 221.A NE2 GLU 116.A O no hydrogen 2.830 N/A LEU 222.A N GLY 218.A O no hydrogen 2.773 N/A TYR 223.A N MET 219.A O no hydrogen 2.744 N/A SER 224.A N HIS 221.A O no hydrogen 2.969 N/A SER 224.A OG HIS 221.A O no hydrogen 2.775 N/A MET 225.A N LEU 222.A O no hydrogen 3.119 N/A ASP 235.A N PRO 232.A O no hydrogen 2.871 N/A LEU 237.A N LEU 233.A O no hydrogen 3.076 N/A LEU 238.A N TYR 234.A O no hydrogen 2.851 N/A GLU 239.A N ASP 235.A O no hydrogen 2.764 N/A MET 240.A N LEU 236.A O no hydrogen 3.028 N/A LEU 241.A N LEU 237.A O no hydrogen 2.712 N/A ASP 242.A N LEU 238.A O no hydrogen 2.672 N/A LEU 246.A N HIS 244.A ND1 no hydrogen 3.306 N/A