Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6ayd_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N LEU 1.A O no hydrogen 2.808 N/A TYR 5.A N LEU 1.A O no hydrogen 2.985 N/A GLN 6.A N ILE 23.A O no hydrogen 2.956 N/A GLY 8.A N SER 21.A O no hydrogen 2.572 N/A LEU 11.A N VAL 19.A O no hydrogen 2.760 N/A VAL 19.A N GLY 12.A O no hydrogen 3.278 N/A TYR 20.A N ILE 33.A O no hydrogen 2.751 N/A SER 21.A N PRO 9.A O no hydrogen 2.836 N/A GLY 22.A N VAL 31.A O no hydrogen 3.024 N/A ILE 23.A N GLN 6.A O no hydrogen 3.168 N/A ARG 24.A N LEU 29.A O no hydrogen 2.938 N/A ARG 24.A NE ASP 27.A OD1 no hydrogen 3.105 N/A ARG 24.A NE ASP 27.A OD2 no hydrogen 3.228 N/A ARG 24.A NH1 ASP 27.A OD2 no hydrogen 2.732 N/A VAL 25.A N GLN 4.A O no hydrogen 2.731 N/A ASN 28.A N VAL 25.A O no hydrogen 3.382 N/A LEU 29.A N ASP 27.A OD1 no hydrogen 3.119 N/A VAL 31.A N GLY 22.A O no hydrogen 2.925 N/A ALA 32.A N LEU 87.A O no hydrogen 3.042 N/A ILE 33.A N TYR 20.A O no hydrogen 2.731 N/A LYS 34.A N LEU 85.A O no hydrogen 2.969 N/A LYS 34.A NZ PHE 16.A O no hydrogen 2.323 N/A LYS 34.A NZ GLU 56.A OE1 no hydrogen 3.054 N/A LYS 34.A NZ GLU 56.A OE2 no hydrogen 2.694 N/A HIS 35.A N SER 18.A O no hydrogen 3.107 N/A VAL 36.A N PHE 83.A O no hydrogen 3.051 N/A LYS 38.A N ASP 81.A O no hydrogen 2.770 N/A LYS 38.A NZ GLU 78.A OE2 no hydrogen 2.908 N/A LYS 38.A NZ ARG 79.A O no hydrogen 2.920 N/A LYS 38.A NZ PRO 80.A O no hydrogen 2.966 N/A ILE 41.A N LYS 38.A O no hydrogen 3.120 N/A GLY 45.A N VAL 53.A O no hydrogen 2.970 N/A LEU 47.A N THR 51.A O no hydrogen 2.934 N/A GLY 50.A N LEU 47.A O no hydrogen 2.810 N/A THR 51.A OG1 ASN 49.A OD1 no hydrogen 2.559 N/A VAL 53.A N GLY 45.A O no hydrogen 2.963 N/A MET 55.A N ASP 43.A O no hydrogen 3.105 N/A VAL 58.A N PRO 54.A O no hydrogen 3.108 N/A LEU 59.A N MET 55.A O no hydrogen 2.742 N/A LEU 60.A N GLU 56.A O no hydrogen 2.792 N/A LYS 61.A N VAL 57.A O no hydrogen 2.975 N/A LYS 62.A N VAL 58.A O no hydrogen 3.348 N/A VAL 63.A N LEU 59.A O no hydrogen 3.235 N/A VAL 63.A N LEU 60.A O no hydrogen 3.210 N/A SER 64.A N LYS 61.A O no hydrogen 3.424 N/A SER 64.A OG LEU 60.A O no hydrogen 2.601 N/A ILE 71.A N LEU 151.A O no hydrogen 3.222 N/A LEU 73.A N SER 64.A OG no hydrogen 2.921 N/A LEU 74.A N ILE 86.A O no hydrogen 2.918 N/A PHE 77.A N VAL 84.A O no hydrogen 2.794 N/A ARG 79.A N SER 82.A O no hydrogen 2.783 N/A ARG 79.A NH2 GLU 2.A OE2 no hydrogen 3.101 N/A PHE 83.A N VAL 36.A O no hydrogen 2.940 N/A VAL 84.A N PHE 77.A O no hydrogen 2.933 N/A LEU 85.A N LYS 34.A O no hydrogen 2.732 N/A ILE 86.A N ASP 75.A O no hydrogen 2.876 N/A LEU 87.A N ALA 32.A O no hydrogen 2.837 N/A GLU 88.A N ARG 72.A O no hydrogen 3.153 N/A ARG 89.A NE VAL 31.A O no hydrogen 2.702 N/A ARG 89.A NH1 GLU 91.A OE1 no hydrogen 3.240 N/A ARG 89.A NH2 GLY 22.A O no hydrogen 2.900 N/A GLN 94.A N ILE 142.A O no hydrogen 3.136 N/A LEU 96.A N ILE 140.A O no hydrogen 2.817 N/A ASP 98.A N ASP 95.A OD1 no hydrogen 2.832 N/A PHE 99.A N ASP 95.A O no hydrogen 3.035 N/A ILE 100.A N LEU 96.A O no hydrogen 2.971 N/A THR 101.A N PHE 97.A O no hydrogen 2.736 N/A THR 101.A OG1 PHE 97.A O no hydrogen 3.062 N/A GLU 102.A N ASP 98.A O no hydrogen 2.933 N/A ARG 103.A N PHE 99.A O no hydrogen 3.035 N/A ARG 103.A NH1 HIS 270.A O no hydrogen 3.378 N/A ARG 103.A NH2 HIS 270.A O no hydrogen 2.916 N/A LEU 106.A N MET 202.A O no hydrogen 2.756 N/A ALA 111.A N GLN 107.A O no hydrogen 2.908 N/A ARG 112.A N GLU 108.A O no hydrogen 2.761 N/A ARG 112.A NE TRP 256.A O no hydrogen 2.763 N/A SER 113.A N GLU 109.A O no hydrogen 3.381 N/A SER 113.A OG THR 266.A OG1 no hydrogen 2.691 N/A PHE 114.A N LEU 110.A O no hydrogen 3.040 N/A PHE 115.A N ALA 111.A O no hydrogen 2.683 N/A TRP 116.A N ARG 112.A O no hydrogen 2.882 N/A GLN 117.A N SER 113.A O no hydrogen 3.080 N/A GLN 117.A NE2 GLY 147.A O no hydrogen 2.749 N/A VAL 118.A N PHE 114.A O no hydrogen 2.880 N/A LEU 119.A N PHE 115.A O no hydrogen 2.800 N/A GLU 120.A N TRP 116.A O no hydrogen 2.722 N/A ALA 121.A N GLN 117.A O no hydrogen 2.936 N/A VAL 122.A N VAL 118.A O no hydrogen 2.913 N/A ARG 123.A N LEU 119.A O no hydrogen 2.903 N/A ARG 123.A NH2 GLN 252.A OE1 no hydrogen 3.098 N/A HIS 124.A N GLU 120.A O no hydrogen 3.013 N/A HIS 124.A NE2 VAL 63.A O no hydrogen 3.004 N/A CYS 125.A N ALA 121.A O no hydrogen 3.143 N/A CYS 125.A SG ALA 121.A O no hydrogen 3.347 N/A HIS 126.A N VAL 122.A O no hydrogen 2.969 N/A ASN 127.A N ARG 123.A O no hydrogen 2.880 N/A CYS 128.A N HIS 124.A O no hydrogen 2.835 N/A CYS 128.A SG LYS 62.A O no hydrogen 3.543 N/A CYS 128.A SG HIS 124.A O no hydrogen 3.465 N/A GLY 129.A N HIS 126.A O no hydrogen 2.954 N/A VAL 130.A N CYS 125.A O no hydrogen 2.967 N/A LEU 131.A N ALA 158.A O no hydrogen 2.719 N/A HIS 132.A NE2 ILE 152.A O no hydrogen 2.856 N/A ARG 133.A NE SER 156.A O no hydrogen 2.905 N/A ARG 133.A NH1 SER 156.A O no hydrogen 3.455 N/A ARG 133.A NH1 GLY 157.A O no hydrogen 3.254 N/A ARG 133.A NH1 ASP 167.A OD2 no hydrogen 3.252 N/A ARG 133.A NH2 ASP 167.A OD2 no hydrogen 2.973 N/A ARG 133.A NH2 TYR 185.A OH no hydrogen 2.885 N/A ASP 134.A N HIS 132.A ND1 no hydrogen 3.144 N/A LYS 136.A NZ GLU 138.A OE1 no hydrogen 3.288 N/A ASN 139.A ND2 ASP 134.A O no hydrogen 2.598 N/A ILE 140.A N ASP 137.A O no hydrogen 3.213 N/A LEU 141.A N LYS 150.A O no hydrogen 2.843 N/A ILE 142.A N GLN 94.A O no hydrogen 2.914 N/A ASP 143.A N GLU 148.A O no hydrogen 2.949 N/A LEU 144.A N PRO 92.A O no hydrogen 3.229 N/A ASN 145.A N ASP 143.A OD2 no hydrogen 2.974 N/A ARG 146.A N ASP 143.A OD2 no hydrogen 3.261 N/A ARG 146.A NE GLU 148.A OE2 no hydrogen 3.115 N/A ARG 146.A NH2 GLU 148.A OE2 no hydrogen 3.026 N/A GLY 147.A N ASP 143.A O no hydrogen 2.952 N/A LEU 149.A N GLN 117.A OE1 no hydrogen 2.910 N/A LYS 150.A N LEU 141.A O no hydrogen 2.886 N/A LYS 150.A NZ SER 68.A O no hydrogen 3.385 N/A LYS 150.A NZ GLU 148.A OE1 no hydrogen 3.326 N/A LEU 151.A N GLY 69.A O no hydrogen 2.955 N/A ILE 152.A N ASN 139.A O no hydrogen 3.001 N/A GLY 155.A N ASP 153.A OD1 no hydrogen 2.928 N/A SER 156.A OG ASP 169.A O no hydrogen 3.412 N/A GLY 157.A N PHE 154.A O no hydrogen 3.494 N/A ALA 158.A N LEU 131.A O no hydrogen 2.929 N/A LEU 160.A N GLY 129.A O no hydrogen 2.693 N/A LYS 161.A N TYR 165.A OH no hydrogen 3.117 N/A LYS 161.A NZ VAL 164.A O no hydrogen 3.037 N/A TYR 165.A N TYR 185.A O no hydrogen 2.649 N/A TYR 165.A OH LEU 159.A O no hydrogen 2.701 N/A THR 171.A OG1 ASP 134.A OD2 no hydrogen 2.679 N/A ARG 172.A NE ASP 212.A OD1 no hydrogen 3.356 N/A ARG 172.A NH2 ASP 212.A OD1 no hydrogen 2.626 N/A TYR 174.A N THR 171.A O no hydrogen 3.062 N/A SER 175.A N ARG 172.A O no hydrogen 3.024 N/A SER 175.A OG ARG 172.A O no hydrogen 2.753 N/A GLU 178.A N GLU 178.A OE2 no hydrogen 2.668 N/A TRP 179.A N PRO 176.A O no hydrogen 3.030 N/A ILE 180.A N PRO 176.A O no hydrogen 3.233 N/A ARG 181.A N PRO 177.A O no hydrogen 2.808 N/A ARG 181.A NE TYR 182.A OH no hydrogen 3.293 N/A ARG 181.A NH2 TYR 182.A OH no hydrogen 3.172 N/A TYR 182.A N GLU 178.A O no hydrogen 3.166 N/A HIS 183.A N TRP 179.A O no hydrogen 3.012 N/A TYR 185.A N TYR 165.A O no hydrogen 3.069 N/A TYR 185.A OH ASP 167.A O no hydrogen 2.711 N/A SER 189.A OG HIS 186.A O no hydrogen 3.136 N/A ALA 190.A N HIS 186.A O no hydrogen 2.987 N/A ALA 191.A N GLY 187.A O no hydrogen 2.779 N/A VAL 192.A N ARG 188.A O no hydrogen 2.817 N/A TRP 193.A N SER 189.A O no hydrogen 3.205 N/A SER 194.A N ALA 190.A O no hydrogen 3.323 N/A SER 194.A OG ALA 191.A O no hydrogen 2.501 N/A LEU 195.A N ALA 191.A O no hydrogen 3.214 N/A GLY 196.A N VAL 192.A O no hydrogen 2.981 N/A ILE 197.A N TRP 193.A O no hydrogen 2.893 N/A LEU 198.A N SER 194.A O no hydrogen 2.666 N/A LEU 199.A N LEU 195.A O no hydrogen 2.629 N/A TYR 200.A N GLY 196.A O no hydrogen 3.114 N/A TYR 200.A OH PHE 221.A O no hydrogen 2.571 N/A ASP 201.A N ILE 197.A O no hydrogen 2.967 N/A MET 202.A N LEU 198.A O no hydrogen 3.060 N/A VAL 203.A N LEU 199.A O no hydrogen 3.081 N/A CYS 204.A N TYR 200.A O no hydrogen 2.681 N/A GLY 205.A N ASP 201.A O no hydrogen 2.638 N/A GLU 210.A N GLU 214.A OE1 no hydrogen 2.823 N/A ILE 215.A N HIS 211.A O no hydrogen 3.342 N/A ILE 216.A N ASP 212.A O no hydrogen 2.963 N/A GLY 217.A N GLU 213.A O no hydrogen 3.088 N/A GLY 218.A N GLU 214.A O no hydrogen 3.317 N/A GLY 218.A N ILE 215.A O no hydrogen 3.144 N/A ARG 223.A NH1 ILE 207.A O no hydrogen 3.220 N/A SER 227.A N GLU 108.A OE1 no hydrogen 2.735 N/A SER 227.A OG GLU 108.A OE2 no hydrogen 3.092 N/A CYS 230.A N SER 227.A OG no hydrogen 3.227 N/A GLN 231.A N SER 227.A O no hydrogen 3.102 N/A GLN 231.A NE2 VAL 226.A O no hydrogen 2.966 N/A HIS 232.A N SER 228.A O no hydrogen 3.049 N/A LEU 233.A N GLU 229.A O no hydrogen 3.062 N/A ILE 234.A N CYS 230.A O no hydrogen 2.969 N/A ARG 235.A N GLN 231.A O no hydrogen 2.850 N/A ARG 235.A NH1 VAL 220.A O no hydrogen 2.945 N/A ARG 235.A NH2 GLN 231.A OE1 no hydrogen 2.742 N/A TRP 236.A N HIS 232.A O no hydrogen 3.005 N/A CYS 237.A N LEU 233.A O no hydrogen 2.803 N/A CYS 237.A SG LEU 233.A O no hydrogen 3.547 N/A LEU 238.A N ILE 234.A O no hydrogen 3.038 N/A ALA 239.A N TRP 236.A O no hydrogen 3.073 N/A ASP 244.A N ARG 241.A O no hydrogen 3.050 N/A ARG 245.A N PRO 242.A O no hydrogen 3.094 N/A ARG 245.A NE ALA 239.A O no hydrogen 2.769 N/A ARG 245.A NH1 GLU 178.A OE2 no hydrogen 2.637 N/A ARG 245.A NH1 ALA 239.A O no hydrogen 3.415 N/A ARG 245.A NH1 LEU 240.A O no hydrogen 3.272 N/A ARG 245.A NH2 GLU 178.A OE1 no hydrogen 2.599 N/A ARG 245.A NH2 SER 189.A O no hydrogen 2.940 N/A THR 247.A N GLU 250.A OE2 no hydrogen 3.085 N/A GLU 250.A N THR 247.A OG1 no hydrogen 3.044 N/A ILE 251.A N THR 247.A O no hydrogen 2.825 N/A GLN 252.A N PHE 248.A O no hydrogen 3.073 N/A GLN 252.A NE2 GLU 120.A OE1 no hydrogen 3.075 N/A ASN 253.A N GLU 249.A O no hydrogen 2.974 N/A HIS 254.A N ILE 251.A O no hydrogen 3.061 N/A HIS 254.A NE2 HIS 232.A ND1 no hydrogen 3.193 N/A TRP 256.A N HIS 254.A ND1 no hydrogen 3.086 N/A TRP 256.A NE1 GLU 108.A OE2 no hydrogen 2.647 N/A MET 257.A N HIS 254.A O no hydrogen 3.007 N/A GLN 258.A N PRO 255.A O no hydrogen 3.111 N/A GLN 258.A NE2 GLN 252.A O no hydrogen 3.346 N/A GLN 258.A NE2 HIS 254.A O no hydrogen 3.226 N/A THR 266.A N LEU 262.A O no hydrogen 3.099 N/A THR 266.A OG1 SER 113.A OG no hydrogen 2.691 N/A THR 266.A OG1 LEU 262.A O no hydrogen 2.526 N/A ALA 267.A N PRO 263.A O no hydrogen 3.091 N/A GLU 268.A N GLN 264.A O no hydrogen 3.092 N/A ILE 269.A N GLU 265.A O no hydrogen 2.751 N/A HIS 270.A N THR 266.A O no hydrogen 2.780 N/A HIS 270.A NE2 GLU 109.A OE1 no hydrogen 3.193 N/A LEU 271.A N ALA 267.A O no hydrogen 2.780 N/A HIS 272.A N ALA 267.A O no hydrogen 2.783 N/A