Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2qi8_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 4.A N ASP 2.A OD2 no hydrogen 2.936 N/A GLU 5.A N ASP 2.A O no hydrogen 3.400 N/A ILE 6.A N VAL 65.A O no hydrogen 3.273 N/A ARG 8.A NH2 PRO 69.A O no hydrogen 2.646 N/A SER 10.A N PRO 7.A O no hydrogen 2.996 N/A SER 10.A OG PRO 7.A O no hydrogen 2.500 N/A LEU 11.A N ARG 8.A O no hydrogen 2.963 N/A ARG 12.A N THR 29.A O no hydrogen 2.858 N/A GLU 14.A N MET 27.A O no hydrogen 3.158 N/A LYS 16.A NZ GLY 18.A O no hydrogen 2.541 N/A LEU 17.A N VAL 25.A O no hydrogen 3.157 N/A VAL 25.A N GLY 18.A O no hydrogen 3.294 N/A TRP 26.A NE1 GLU 24.A OE1 no hydrogen 2.637 N/A MET 27.A N VAL 15.A O no hydrogen 2.749 N/A GLY 28.A N VAL 36.A O no hydrogen 3.127 N/A THR 29.A N ARG 12.A O no hydrogen 3.007 N/A THR 29.A OG1 GLU 14.A OE2 no hydrogen 3.180 N/A TRP 30.A N THR 34.A O no hydrogen 2.588 N/A ASN 31.A N SER 10.A O no hydrogen 2.855 N/A THR 34.A N TRP 30.A O no hydrogen 2.951 N/A THR 34.A OG1 TRP 30.A O no hydrogen 3.485 N/A VAL 36.A N GLY 28.A O no hydrogen 3.279 N/A ALA 37.A N MET 74.A O no hydrogen 2.943 N/A THR 40.A N GLU 24.A O no hydrogen 3.089 N/A GLN 49.A N LEU 45.A O no hydrogen 3.168 N/A VAL 50.A N GLN 46.A O no hydrogen 3.173 N/A MET 51.A N GLU 47.A O no hydrogen 2.956 N/A LYS 52.A NZ ASP 2.A OD1 no hydrogen 3.355 N/A LYS 52.A NZ GLN 49.A OE1 no hydrogen 3.221 N/A LYS 53.A N VAL 50.A O no hydrogen 3.070 N/A LEU 54.A N VAL 50.A O no hydrogen 3.259 N/A ARG 55.A N TYR 112.A OH no hydrogen 2.654 N/A LYS 58.A N HIS 56.A ND1 no hydrogen 3.106 N/A LYS 58.A NZ GLN 105.A OE1 no hydrogen 3.039 N/A LEU 59.A N HIS 56.A O no hydrogen 3.142 N/A VAL 60.A N VAL 138.A O no hydrogen 3.030 N/A GLN 61.A N GLU 75.A OE1 no hydrogen 2.948 N/A TYR 63.A N VAL 73.A O no hydrogen 3.110 N/A ALA 64.A N VAL 73.A O no hydrogen 3.366 N/A VAL 65.A N TRP 4.A O no hydrogen 3.221 N/A ILE 72.A N LYS 39.A O no hydrogen 3.155 N/A VAL 73.A N ALA 64.A O no hydrogen 2.870 N/A MET 74.A N ALA 37.A O no hydrogen 3.036 N/A GLU 75.A N GLN 61.A O no hydrogen 2.777 N/A SER 78.A OG GLU 132.A OE1.A no hydrogen 2.595 N/A LYS 79.A N VAL 130.A O no hydrogen 2.901 N/A GLY 80.A N MET 77.A O no hydrogen 3.062 N/A CYS 81.A SG ALA 126.A O no hydrogen 3.566 N/A LEU 82.A N ILE 128.A O no hydrogen 2.756 N/A LEU 83.A N ALA 125.A O no hydrogen 3.419 N/A PHE 85.A N CYS 81.A O no hydrogen 3.206 N/A LEU 86.A N LEU 82.A O no hydrogen 2.790 N/A LYS 87.A N LEU 83.A O no hydrogen 3.127 N/A GLY 88.A N ASP 84.A O no hydrogen 2.529 N/A ARG 95.A N GLN 98.A OE1 no hydrogen 2.775 N/A ARG 95.A NH1 LYS 92.A O no hydrogen 2.840 N/A ARG 95.A NH1 LEU 94.A O no hydrogen 3.115 N/A ARG 95.A NH2 LYS 92.A O no hydrogen 3.069 N/A LEU 96.A N LEU 255.A OXT no hydrogen 2.789 N/A LEU 99.A N ARG 95.A O no hydrogen 3.106 N/A VAL 100.A N LEU 96.A O no hydrogen 2.797 N/A ASP 101.A N PRO 97.A O no hydrogen 3.251 N/A MET 102.A N GLN 98.A O no hydrogen 3.017 N/A ALA 103.A N LEU 99.A O no hydrogen 2.928 N/A ALA 104.A N VAL 100.A O no hydrogen 2.830 N/A GLN 105.A N ASP 101.A O no hydrogen 3.134 N/A GLN 105.A NE2 ASP 101.A O no hydrogen 3.486 N/A GLN 105.A NE2 ASP 101.A OD2 no hydrogen 2.835 N/A GLN 105.A NE2 LEU 134.A O no hydrogen 2.859 N/A ILE 106.A N MET 102.A O no hydrogen 3.119 N/A ALA 107.A N ALA 103.A O no hydrogen 2.902 N/A SER 108.A N ALA 104.A O no hydrogen 2.936 N/A GLY 109.A N GLN 105.A O no hydrogen 3.103 N/A MET 110.A N ILE 106.A O no hydrogen 2.703 N/A ALA 111.A N ALA 107.A O no hydrogen 2.717 N/A TYR 112.A N SER 108.A O no hydrogen 3.174 N/A VAL 113.A N GLY 109.A O no hydrogen 3.213 N/A GLU 114.A N MET 110.A O no hydrogen 2.971 N/A ARG 115.A N ALA 111.A O no hydrogen 2.978 N/A MET 116.A N TYR 112.A O no hydrogen 2.966 N/A MET 116.A N VAL 113.A O no hydrogen 3.203 N/A ASN 117.A N GLU 114.A O no hydrogen 3.272 N/A TYR 118.A N VAL 113.A O no hydrogen 3.069 N/A VAL 119.A N ARG 145.A O no hydrogen 2.796 N/A HIS 120.A N ASP 166.A OD2 no hydrogen 2.522 N/A HIS 120.A NE2 ALA 139.A O no hydrogen 2.841 N/A ARG 121.A N ASP 166.A OD1 no hydrogen 2.800 N/A ARG 121.A NH1 LEU 143.A O no hydrogen 2.771 N/A ASP 122.A N HIS 120.A ND1 no hydrogen 3.039 N/A ARG 124.A NE ASP 122.A OD1 no hydrogen 2.711 N/A ARG 124.A NH2 ASP 122.A OD1 no hydrogen 2.941 N/A ARG 124.A NH2 ASP 122.A OD2 no hydrogen 3.159 N/A ALA 125.A N GLU 176.A OE2 no hydrogen 2.927 N/A ASN 127.A N ARG 124.A O no hydrogen 2.879 N/A ASN 127.A ND2 ASP 122.A O no hydrogen 2.587 N/A ILE 128.A N ALA 125.A O no hydrogen 3.187 N/A LEU 129.A N LYS 137.A O no hydrogen 2.869 N/A VAL 130.A N GLY 80.A O no hydrogen 2.747 N/A GLY 131.A N VAL 135.A O no hydrogen 2.796 N/A VAL 135.A N GLU 132.A O no hydrogen 3.341 N/A CYS 136.A N GLN 105.A OE1 no hydrogen 2.940 N/A CYS 136.A SG LEU 134.A O no hydrogen 3.839 N/A LYS 137.A N LEU 129.A O no hydrogen 2.864 N/A LYS 137.A NZ GLU 75.A OE1 no hydrogen 3.431 N/A LYS 137.A NZ GLU 75.A OE2 no hydrogen 2.506 N/A VAL 138.A N LYS 58.A O no hydrogen 2.964 N/A ALA 139.A N ASN 127.A O no hydrogen 2.813 N/A ALA 144.A N PHE 141.A O no hydrogen 2.924 N/A ARG 145.A N VAL 119.A O no hydrogen 3.306 N/A LYS 149.A NZ PRO 184.A O no hydrogen 3.367 N/A LYS 149.A NZ MET 188.A O no hydrogen 2.636 N/A TRP 150.A N PRO 147.A O no hydrogen 3.268 N/A TRP 150.A NE1 GLU 176.A OE2 no hydrogen 2.772 N/A THR 151.A N ILE 148.A O no hydrogen 3.216 N/A THR 151.A OG1 PRO 147.A O no hydrogen 2.825 N/A GLU 154.A N GLU 154.A OE1 no hydrogen 3.157 N/A ALA 155.A N ALA 152.A O no hydrogen 3.045 N/A ALA 156.A N ALA 152.A O no hydrogen 2.980 N/A LEU 157.A N PRO 153.A O no hydrogen 2.852 N/A TYR 158.A N GLU 154.A O no hydrogen 3.002 N/A GLY 159.A N ALA 155.A O no hydrogen 3.042 N/A ARG 160.A N GLU 154.A O no hydrogen 3.349 N/A PHE 161.A N GLY 159.A O no hydrogen 3.052 N/A THR 162.A N SER 165.A OG no hydrogen 2.890 N/A LYS 164.A NZ ARG 228.A O no hydrogen 2.476 N/A SER 165.A N THR 162.A O no hydrogen 2.905 N/A SER 165.A OG THR 162.A O no hydrogen 2.858 N/A ASP 166.A N THR 162.A O no hydrogen 3.260 N/A VAL 167.A N ILE 163.A O no hydrogen 2.987 N/A TRP 168.A N LYS 164.A O no hydrogen 3.363 N/A SER 169.A N SER 165.A O no hydrogen 3.157 N/A SER 169.A OG TRP 150.A O no hydrogen 2.355 N/A SER 169.A OG SER 165.A O no hydrogen 3.312 N/A PHE 170.A N ASP 166.A O no hydrogen 2.798 N/A GLY 171.A N VAL 167.A O no hydrogen 3.013 N/A ILE 172.A N TRP 168.A O no hydrogen 3.269 N/A LEU 173.A N SER 169.A O no hydrogen 2.787 N/A LEU 174.A N PHE 170.A O no hydrogen 2.900 N/A THR 175.A N GLY 171.A O no hydrogen 3.387 N/A THR 175.A OG1 ILE 172.A O no hydrogen 2.691 N/A GLU 176.A N ILE 172.A O no hydrogen 3.150 N/A LEU 177.A N LEU 173.A O no hydrogen 2.948 N/A THR 178.A N LEU 174.A O no hydrogen 3.029 N/A THR 178.A OG1 LEU 174.A O no hydrogen 2.738 N/A THR 178.A OG1 THR 175.A O no hydrogen 3.333 N/A THR 179.A N GLU 176.A O no hydrogen 3.379 N/A THR 179.A OG1 THR 175.A O no hydrogen 2.729 N/A THR 179.A OG1 GLU 176.A O no hydrogen 3.484 N/A LYS 180.A NZ LEU 94.A O no hydrogen 3.084 N/A LYS 180.A NZ ASN 254.A O no hydrogen 2.893 N/A GLY 181.A N GLU 176.A O no hydrogen 2.537 N/A ARG 182.A N THR 179.A OG1 no hydrogen 3.176 N/A MET 188.A N TYR 185.A O no hydrogen 3.029 N/A VAL 189.A N GLU 192.A OE1.B no hydrogen 2.938 N/A VAL 193.A N VAL 189.A O no hydrogen 3.238 N/A LEU 194.A N ASN 190.A O no hydrogen 3.143 N/A ASP 195.A N ARG 191.A O no hydrogen 3.188 N/A GLN 196.A N GLU 192.A O no hydrogen 2.944 N/A VAL 197.A N VAL 193.A O no hydrogen 2.703 N/A GLU 198.A N LEU 194.A O no hydrogen 2.975 N/A ARG 199.A N ASP 195.A O no hydrogen 3.130 N/A ARG 199.A NH1 GLN 196.A OE1 no hydrogen 2.709 N/A GLY 200.A N VAL 197.A O no hydrogen 3.004 N/A TYR 201.A N GLN 196.A O no hydrogen 2.783 N/A ARG 202.A NE TRP 221.A O no hydrogen 2.819 N/A ARG 202.A NH1 VAL 197.A O no hydrogen 2.953 N/A ARG 202.A NH1 TYR 201.A O no hydrogen 2.968 N/A ARG 202.A NH2 TRP 221.A O no hydrogen 2.734 N/A CYS 205.A SG PRO 206.A O no hydrogen 3.867 N/A CYS 205.A SG CYS 209.A O no hydrogen 2.978 N/A CYS 209.A N PRO 206.A O no hydrogen 2.990 N/A CYS 209.A SG PRO 210.A O no hydrogen 3.758 N/A SER 212.A OG GLU 246.A OE2 no hydrogen 2.769 N/A HIS 214.A N PRO 210.A O no hydrogen 3.292 N/A HIS 214.A NE2 MET 203.A O no hydrogen 2.655 N/A ASP 215.A N GLU 211.A O no hydrogen 2.803 N/A LEU 216.A N SER 212.A O no hydrogen 3.400 N/A MET 217.A N LEU 213.A O no hydrogen 3.193 N/A CYS 218.A N HIS 214.A O no hydrogen 2.859 N/A CYS 218.A SG HIS 214.A O no hydrogen 3.489 N/A GLN 219.A N ASP 215.A O no hydrogen 2.796 N/A CYS 220.A N LEU 216.A O no hydrogen 3.131 N/A CYS 220.A SG LEU 216.A O no hydrogen 3.346 N/A TRP 221.A N CYS 218.A O no hydrogen 3.054 N/A ARG 222.A N GLN 219.A O no hydrogen 3.359 N/A ARG 222.A NH1 GLU 227.A O no hydrogen 2.824 N/A GLU 227.A N ASP 224.A O no hydrogen 2.691 N/A ARG 228.A N PRO 225.A O no hydrogen 3.438 N/A ARG 228.A NE LYS 164.A O no hydrogen 3.059 N/A ARG 228.A NH1 GLU 154.A OE1 no hydrogen 3.289 N/A ARG 228.A NH1 ARG 222.A O no hydrogen 2.733 N/A ARG 228.A NH2 GLU 154.A OE1 no hydrogen 3.229 N/A ARG 228.A NH2 GLU 154.A OE2 no hydrogen 2.786 N/A ARG 228.A NH2 LYS 164.A O no hydrogen 2.784 N/A PHE 231.A N GLU 114.A OE2 no hydrogen 2.808 N/A TYR 233.A N THR 230.A OG1 no hydrogen 3.206 N/A LEU 234.A N THR 230.A O no hydrogen 3.153 N/A GLN 235.A N PHE 231.A O no hydrogen 2.653 N/A GLN 235.A NE2 GLU 239.A OE2 no hydrogen 2.988 N/A ALA 236.A N GLU 232.A O no hydrogen 3.260 N/A PHE 237.A N TYR 233.A O no hydrogen 2.914 N/A LEU 238.A N LEU 234.A O no hydrogen 3.005 N/A GLU 239.A N GLN 235.A O no hydrogen 2.899 N/A ASP 240.A N ALA 236.A O no hydrogen 3.269 N/A TYR 241.A N LEU 238.A O no hydrogen 3.237 N/A TYR 241.A OH SER 212.A OG no hydrogen 2.561 N/A THR 243.A N ASP 240.A O no hydrogen 3.078 N/A SER 244.A N ASP 240.A O no hydrogen 2.965 N/A THR 245.A N TYR 241.A O no hydrogen 3.062 N/A GLU 246.A N TYR 241.A O no hydrogen 2.857 N/A TYR 249.A N GLU 246.A O no hydrogen 3.280 N/A TYR 249.A OH LEU 255.A OXT no hydrogen 2.556 N/A GLY 252.A N LEU 255.A O no hydrogen 2.819 N/A ASN 254.A N GLU 208.A OE1 no hydrogen 2.987 N/A ASN 254.A ND2 GLU 208.A OE2 no hydrogen 3.516 N/A LEU 255.A N GLU 208.A OE1 no hydrogen 3.047 N/A