Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5a3b_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 2.A NE1 ASN 245.A O no hydrogen 2.749 N/A THR 4.A OG1 ARG 264.A O no hydrogen 2.944 N/A THR 7.A N GLU 10.A OE1 no hydrogen 2.814 N/A GLU 10.A N THR 7.A OG1 no hydrogen 3.019 N/A GLN 11.A N THR 7.A O no hydrogen 2.853 N/A GLN 11.A NE2.A THR 4.A O no hydrogen 3.152 N/A GLN 11.A NE2.B LEU 6.A O no hydrogen 3.061 N/A GLN 11.A NE2.B THR 7.A O no hydrogen 3.373 N/A LEU 12.A N GLN 8.A O no hydrogen 2.881 N/A ALA 13.A N ALA 9.A O no hydrogen 2.863 N/A GLN 14.A N GLU 10.A O no hydrogen 3.073 N/A LEU 15.A N GLN 11.A O no hydrogen 3.044 N/A ILE 16.A N LEU 12.A O no hydrogen 2.939 N/A LYS 17.A N ALA 13.A O no hydrogen 3.042 N/A GLU 18.A N GLN 14.A O no hydrogen 2.967 N/A ALA 19.A N LEU 15.A O no hydrogen 2.868 N/A ASP 20.A N LYS 216.A O no hydrogen 2.674 N/A ALA 21.A N LYS 216.A O no hydrogen 3.460 N/A LEU 22.A N ASP 105.A O no hydrogen 2.958 N/A VAL 23.A N LEU 218.A O no hydrogen 2.845 N/A VAL 24.A N HIS 107.A O no hydrogen 2.878 N/A GLY 25.A N LEU 220.A O no hydrogen 2.787 N/A ILE 26.A N ILE 109.A O no hydrogen 2.918 N/A GLY 27.A N ILE 222.A O no hydrogen 2.976 N/A GLY 29.A N GLY 223.A O no hydrogen 2.850 N/A MET 30.A N GLY 27.A O no hydrogen 3.138 N/A SER 31.A OG TYR 94.A OH no hydrogen 2.775 N/A SER 31.A OG ASP 114.A OD2 no hydrogen 2.694 N/A ALA 32.A N ALA 28.A O no hydrogen 2.921 N/A ALA 33.A N GLY 29.A O no hydrogen 2.867 N/A ASP 34.A N SER 31.A O no hydrogen 3.102 N/A GLY 35.A N ALA 32.A O no hydrogen 2.950 N/A PHE 36.A N SER 31.A O no hydrogen 2.952 N/A ARG 42.A NH1 THR 37.A O no hydrogen 2.945 N/A ARG 42.A NH1 ASN 84.A OD1 no hydrogen 2.918 N/A ARG 42.A NH2 ASN 84.A OD1 no hydrogen 3.110 N/A ARG 42.A NH2 GLN 88.A OE1 no hydrogen 3.108 N/A PHE 43.A N GLY 40.A O no hydrogen 2.929 N/A GLU 44.A N GLY 40.A O no hydrogen 2.826 N/A THR 45.A N PRO 41.A O no hydrogen 2.792 N/A THR 45.A OG1 PRO 41.A O no hydrogen 2.821 N/A PHE 47.A N PHE 43.A O no hydrogen 3.054 N/A ILE 51.A N PHE 47.A O no hydrogen 2.953 N/A ALA 52.A N PRO 48.A O no hydrogen 2.865 N/A LYS 53.A N ASP 49.A O no hydrogen 2.960 N/A LYS 53.A NZ TYR 54.A OH no hydrogen 3.148 N/A LYS 53.A NZ GLU 68.A OE1 no hydrogen 3.212 N/A LYS 53.A NZ GLU 72.A OE2 no hydrogen 2.976 N/A TYR 54.A N PHE 50.A O no hydrogen 2.919 N/A TYR 54.A OH GLU 72.A OE1 no hydrogen 2.395 N/A TYR 54.A OH GLU 72.A OE2 no hydrogen 2.632 N/A GLN 55.A N ILE 51.A O no hydrogen 2.776 N/A GLN 55.A NE2.B ALA 52.A O no hydrogen 3.552 N/A LEU 57.A N GLN 61.A OE1 no hydrogen 2.836 N/A MET 59.A N TYR 38.A O no hydrogen 2.709 N/A GLN 61.A N ASP 58.A OD1 no hydrogen 3.094 N/A ALA 62.A N ASP 58.A O no hydrogen 3.135 N/A SER 63.A N MET 59.A O no hydrogen 2.890 N/A SER 63.A OG LEU 60.A O no hydrogen 2.705 N/A LEU 64.A N GLN 61.A O no hydrogen 3.023 N/A PHE 65.A N ALA 62.A O no hydrogen 3.213 N/A GLN 71.A NE2 VAL 166.A O no hydrogen 2.811 N/A GLU 72.A N ASP 69.A OD1 no hydrogen 2.806 N/A TYR 73.A N ASP 69.A O no hydrogen 3.006 N/A TRP 74.A N TRP 70.A O no hydrogen 2.963 N/A TRP 74.A NE1 PHE 181.A O no hydrogen 2.982 N/A ALA 75.A N GLN 71.A O no hydrogen 3.090 N/A PHE 76.A N GLU 72.A O no hydrogen 2.958 N/A GLN 77.A N TYR 73.A O no hydrogen 2.904 N/A GLN 77.A NE2 SER 63.A O no hydrogen 3.191 N/A SER 78.A N TRP 74.A O no hydrogen 3.011 N/A SER 78.A OG TRP 74.A O no hydrogen 2.795 N/A SER 78.A OG ALA 75.A O no hydrogen 3.145 N/A ARG 79.A NH1 ASP 49.A OD2 no hydrogen 2.914 N/A ARG 79.A NH1 GLN 161.A OE1 no hydrogen 3.056 N/A ARG 79.A NH2 ALA 46.A O no hydrogen 2.903 N/A ARG 79.A NH2 ASP 49.A OD1 no hydrogen 2.855 N/A ARG 79.A NH2 ASP 49.A OD2 no hydrogen 3.540 N/A PHE 80.A N PHE 76.A O no hydrogen 2.975 N/A VAL 81.A N GLN 77.A O no hydrogen 2.794 N/A ALA 82.A N SER 78.A O no hydrogen 3.065 N/A LEU 83.A N ARG 79.A O no hydrogen 3.037 N/A ASN 84.A N PHE 80.A O no hydrogen 2.989 N/A ASN 84.A ND2 PHE 80.A O no hydrogen 3.249 N/A TYR 85.A OH GLU 133.A OE1 no hydrogen 2.650 N/A LEU 86.A N VAL 81.A O no hydrogen 2.905 N/A ASP 87.A N ALA 82.A O no hydrogen 2.873 N/A GLN 88.A NE2 ASP 114.A OD2 no hydrogen 3.217 N/A GLN 92.A NE2 ASP 96.A OD1 no hydrogen 2.934 N/A SER 93.A N ASP 34.A OD1 no hydrogen 3.333 N/A SER 93.A N ASP 34.A OD2 no hydrogen 3.004 N/A SER 93.A OG.A ASP 34.A OD1 no hydrogen 2.523 N/A SER 93.A OG.A ASP 34.A OD2 no hydrogen 3.517 N/A SER 93.A OG.B ASP 34.A OD1 no hydrogen 3.145 N/A SER 93.A OG.B ASP 34.A OD2 no hydrogen 2.504 N/A TYR 94.A OH SER 31.A OG no hydrogen 2.775 N/A LEU 95.A N GLY 91.A O no hydrogen 3.307 N/A ASP 96.A N GLN 92.A O no hydrogen 2.825 N/A LEU 97.A N SER 93.A O no hydrogen 2.959 N/A LYS 98.A N TYR 94.A O no hydrogen 3.156 N/A LYS 98.A NZ ALA 120.A O no hydrogen 2.786 N/A GLU 99.A N LEU 95.A O no hydrogen 3.215 N/A ILE 100.A N ASP 96.A O no hydrogen 3.220 N/A LEU 101.A N LEU 97.A O no hydrogen 2.913 N/A GLU 102.A N GLU 99.A O no hydrogen 3.376 N/A THR 103.A OG1 ILE 100.A O no hydrogen 3.336 N/A THR 103.A OG1 TYR 284.A OH no hydrogen 2.891 N/A LYS 104.A N LEU 101.A O no hydrogen 2.850 N/A LYS 104.A NZ ILE 16.A O no hydrogen 2.834 N/A LYS 104.A NZ LYS 17.A O no hydrogen 3.051 N/A LYS 104.A NZ ALA 19.A O no hydrogen 2.701 N/A HIS 107.A N LEU 22.A O no hydrogen 3.190 N/A ILE 108.A N ASN 126.A O no hydrogen 2.880 N/A ILE 109.A N VAL 24.A O no hydrogen 2.902 N/A THR 110.A N PHE 128.A O no hydrogen 2.957 N/A THR 110.A OG1 ILE 26.A O no hydrogen 2.869 N/A THR 111.A N ILE 26.A O no hydrogen 3.200 N/A ASN 112.A N THR 110.A OG1 no hydrogen 3.025 N/A ASN 112.A ND2 GLY 27.A O no hydrogen 3.088 N/A ASN 115.A ND2 TYR 85.A O no hydrogen 3.095 N/A ASN 115.A ND2 GLN 88.A O no hydrogen 2.847 N/A ALA 116.A N ASP 114.A OD1 no hydrogen 3.202 N/A TRP 118.A N ASN 115.A O no hydrogen 2.912 N/A TRP 118.A NE1 GLU 133.A OE1 no hydrogen 2.714 N/A VAL 119.A N ASN 115.A O no hydrogen 3.093 N/A ALA 120.A N ALA 116.A O no hydrogen 3.233 N/A GLY 121.A N TRP 118.A O no hydrogen 3.007 N/A TYR 122.A N PHE 117.A O no hydrogen 2.982 N/A TYR 122.A OH TYR 94.A O no hydrogen 2.576 N/A HIS 125.A N ASP 123.A OD1 no hydrogen 2.929 N/A HIS 125.A ND1 ASP 123.A OD1 no hydrogen 3.122 N/A ASN 126.A N ASP 123.A O no hydrogen 2.952 N/A ASN 126.A ND2 TYR 106.A OH no hydrogen 3.263 N/A ILE 127.A N PRO 124.A O no hydrogen 3.328 N/A PHE 128.A N ILE 108.A O no hydrogen 2.809 N/A HIS 129.A N GLN 201.A OE1 no hydrogen 2.836 N/A ILE 130.A N THR 110.A O no hydrogen 3.210 N/A GLY 132.A N HIS 129.A O no hydrogen 3.267 N/A TYR 134.A N ALA 113.A O no hydrogen 2.966 N/A LEU 136.A N GLU 133.A O no hydrogen 3.078 N/A TRP 137.A N TYR 148.A O no hydrogen 2.648 N/A GLN 138.A N GLU 182.A O no hydrogen 2.906 N/A GLN 138.A NE2 GLU 182.A OE2 no hydrogen 2.944 N/A GLN 138.A NE2 LYS 185.A O no hydrogen 3.245 N/A SER 140.A N PRO 180.A O no hydrogen 3.074 N/A SER 140.A OG PRO 180.A O no hydrogen 2.748 N/A HIS 142.A N CYS 139.A O no hydrogen 2.694 N/A CYS 143.A SG HIS 144.A ND1 no hydrogen 3.251 N/A HIS 144.A NE2 TYR 148.A OH no hydrogen 2.623 N/A GLN 146.A N HIS 144.A O no hydrogen 3.060 N/A GLN 146.A NE2.A THR 147.A O no hydrogen 3.049 N/A THR 147.A N ASP 195.A OD2 no hydrogen 3.119 N/A THR 147.A OG1 ASP 195.A OD2 no hydrogen 2.586 N/A TYR 148.A N TRP 137.A O no hydrogen 2.980 N/A TYR 148.A OH HIS 144.A NE2 no hydrogen 2.623 N/A VAL 153.A N ASP 150.A OD1 no hydrogen 3.206 N/A ILE 154.A N ASP 150.A O no hydrogen 3.304 N/A ARG 155.A N ASP 151.A O no hydrogen 2.986 N/A ARG 155.A NH1 ASP 87.A OD1 no hydrogen 3.475 N/A ARG 155.A NH1 ASP 87.A OD2 no hydrogen 2.981 N/A ARG 155.A NH2 ASP 87.A OD1 no hydrogen 2.806 N/A GLN 156.A N THR 152.A O no hydrogen 2.931 N/A MET 157.A N VAL 153.A O no hydrogen 2.941 N/A ILE 158.A N ILE 154.A O no hydrogen 3.176 N/A ALA 159.A N ARG 155.A O no hydrogen 2.991 N/A GLU 160.A N GLN 156.A O no hydrogen 2.673 N/A GLN 161.A N MET 157.A O no hydrogen 3.163 N/A GLN 161.A NE2 ALA 75.A O no hydrogen 2.924 N/A GLN 161.A NE2 MET 157.A O no hydrogen 3.237 N/A LYS 162.A N LYS 165.A O no hydrogen 3.067 N/A LYS 165.A N LYS 162.A O no hydrogen 2.965 N/A LYS 165.A NZ GLU 68.A OE2 no hydrogen 2.908 N/A LYS 165.A NZ ASP 69.A OD1 no hydrogen 3.384 N/A LYS 165.A NZ ASP 69.A OD2 no hydrogen 2.888 N/A VAL 166.A N GLN 71.A O no hydrogen 3.085 N/A GLN 169.A N GLN 169.A OE1 no hydrogen 3.041 N/A LEU 170.A N PRO 167.A O no hydrogen 3.073 N/A ILE 171.A N GLY 168.A O no hydrogen 3.205 N/A CYS 174.A N ALA 179.A O no hydrogen 2.799 N/A GLU 178.A N CYS 174.A O no hydrogen 2.839 N/A PHE 181.A N PRO 172.A O no hydrogen 2.801 N/A GLU 182.A N GLN 138.A O no hydrogen 2.980 N/A ILE 183.A N TYR 73.A OH no hydrogen 2.925 N/A ASN 184.A N LEU 136.A O no hydrogen 2.926 N/A ASN 184.A ND2 GLN 138.A OE1 no hydrogen 2.929 N/A ASN 184.A ND2 VAL 193.A O no hydrogen 3.350 N/A ARG 186.A NE GLN 131.A OE1 no hydrogen 2.821 N/A ARG 186.A NH1 GLU 194.A OE2 no hydrogen 3.097 N/A ARG 186.A NH2 ILE 130.A O no hydrogen 2.783 N/A ARG 186.A NH2 GLU 194.A OE2 no hydrogen 2.873 N/A ASN 187.A N GLY 191.A O no hydrogen 2.836 N/A GLU 189.A N ASN 187.A OD1 no hydrogen 2.784 N/A LYS 190.A N ASN 187.A OD1 no hydrogen 2.736 N/A GLY 191.A N ASN 187.A O no hydrogen 2.738 N/A VAL 193.A N GLN 138.A OE1 no hydrogen 2.905 N/A GLU 194.A N GLN 145.A OE1 no hydrogen 2.902 N/A PHE 198.A N ASP 195.A OD1 no hydrogen 3.045 N/A HIS 199.A N ASP 195.A O no hydrogen 3.077 N/A ALA 200.A N ALA 196.A O no hydrogen 2.988 N/A GLN 201.A N ASP 197.A O no hydrogen 3.029 N/A GLN 201.A NE2 ASP 197.A OD2 no hydrogen 2.883 N/A LYS 202.A N PHE 198.A O no hydrogen 2.977 N/A ALA 203.A N HIS 199.A O no hydrogen 2.985 N/A ARG 204.A N ALA 200.A O no hydrogen 3.033 N/A ARG 204.A NE HIS 125.A O no hydrogen 3.289 N/A TYR 205.A N GLN 201.A O no hydrogen 3.037 N/A GLU 206.A N LYS 202.A O no hydrogen 2.850 N/A ALA 207.A N ALA 203.A O no hydrogen 2.853 N/A PHE 208.A N ARG 204.A O no hydrogen 3.035 N/A LEU 209.A N TYR 205.A O no hydrogen 2.966 N/A SER 210.A N GLU 206.A O no hydrogen 2.943 N/A SER 210.A OG.A GLU 206.A O no hydrogen 2.647 N/A SER 210.A OG.C ALA 207.A O no hydrogen 2.367 N/A GLU 211.A N ALA 207.A O no hydrogen 3.025 N/A HIS 212.A N LEU 209.A O no hydrogen 3.111 N/A LYS 216.A N ASP 20.A OD2 no hydrogen 2.956 N/A LYS 216.A NZ GLU 18.A OE2 no hydrogen 3.199 N/A VAL 217.A N GLY 215.A O no hydrogen 3.002 N/A LEU 218.A N ALA 21.A O no hydrogen 2.897 N/A TYR 219.A N LEU 247.A O no hydrogen 2.835 N/A LEU 220.A N VAL 23.A O no hydrogen 2.858 N/A GLU 221.A N VAL 249.A O no hydrogen 2.856 N/A ILE 222.A N GLY 25.A O no hydrogen 2.791 N/A GLY 223.A N LEU 251.A O no hydrogen 2.940 N/A GLN 230.A N GLN 230.A OE1 no hydrogen 2.749 N/A PHE 231.A N THR 228.A O no hydrogen 3.315 N/A LYS 233.A NZ GLU 221.A OE1 no hydrogen 3.264 N/A LYS 233.A NZ GLU 221.A OE2 no hydrogen 3.259 N/A LYS 233.A NZ VAL 224.A O no hydrogen 3.080 N/A HIS 234.A N PRO 229.A O no hydrogen 2.846 N/A PHE 236.A N ILE 232.A O no hydrogen 2.941 N/A TRP 237.A N LYS 233.A O no hydrogen 3.066 N/A LYS 238.A N HIS 234.A O no hydrogen 3.110 N/A ARG 239.A N PRO 235.A O no hydrogen 2.970 N/A ARG 239.A NE TYR 219.A OH no hydrogen 2.909 N/A ARG 239.A NH2 LEU 209.A O no hydrogen 2.731 N/A ARG 239.A NH2 TYR 219.A OH no hydrogen 3.263 N/A VAL 240.A N PHE 236.A O no hydrogen 2.981 N/A SER 241.A N TRP 237.A O no hydrogen 3.086 N/A GLU 242.A N LYS 238.A O no hydrogen 3.037 N/A ASN 243.A N ARG 239.A O no hydrogen 3.124 N/A ASN 243.A ND2 GLY 215.A O no hydrogen 2.972 N/A ASN 245.A N ASN 243.A OD1 no hydrogen 2.928 N/A ALA 246.A N ASN 243.A O no hydrogen 2.902 N/A LEU 247.A N VAL 217.A O no hydrogen 3.004 N/A PHE 248.A N GLN 265.A O no hydrogen 2.737 N/A VAL 249.A N TYR 219.A O no hydrogen 2.956 N/A THR 250.A N LEU 267.A O no hydrogen 2.884 N/A THR 250.A OG1 GLU 221.A OE1 no hydrogen 2.469 N/A LEU 251.A N GLU 221.A O no hydrogen 2.734 N/A ASN 252.A N LEU 269.A O no hydrogen 2.972 N/A LYS 254.A N ASN 252.A OD1 no hydrogen 2.878 N/A HIS 255.A ND1 GLU 268.A OE1.A no hydrogen 3.356 N/A ILE 262.A N PRO 259.A O no hydrogen 3.016 N/A ARG 263.A N LEU 260.A O no hydrogen 3.242 N/A GLN 265.A N ILE 262.A O no hydrogen 2.933 N/A GLN 265.A NE2 VAL 240.A O no hydrogen 2.926 N/A GLN 265.A NE2 ASN 243.A O no hydrogen 2.997 N/A GLN 265.A NE2 ALA 246.A O no hydrogen 2.932 N/A SER 266.A OG ILE 262.A O no hydrogen 2.704 N/A LEU 267.A N PHE 248.A O no hydrogen 2.822 N/A LEU 269.A N THR 250.A O no hydrogen 2.778 N/A GLU 271.A N GLN 8.A OE1 no hydrogen 2.828 N/A ALA 274.A N HIS 272.A ND1 no hydrogen 3.190 N/A LEU 276.A N HIS 272.A O no hydrogen 2.872 N/A ILE 277.A N ILE 273.A O no hydrogen 2.864 N/A SER 278.A N ALA 274.A O no hydrogen 3.115 N/A ALA 279.A N GLN 275.A O no hydrogen 3.006 N/A THR 280.A N LEU 276.A O no hydrogen 2.861 N/A THR 280.A OG1 LEU 276.A O no hydrogen 2.705 N/A LYS 281.A N ILE 277.A O no hydrogen 2.935 N/A LYS 281.A NZ ASP 96.A OD1 no hydrogen 3.493 N/A THR 282.A N SER 278.A O no hydrogen 3.267 N/A THR 282.A OG1 SER 278.A O no hydrogen 3.242 N/A ILE 283.A N ALA 279.A O no hydrogen 3.172 N/A TYR 284.A N THR 280.A O no hydrogen 2.811 N/A TYR 284.A OH THR 103.A OG1 no hydrogen 2.891 N/A GLN 285.A N LYS 281.A O no hydrogen 2.926 N/A GLN 285.A NE2 GLU 99.A OE1 no hydrogen 2.491 N/A LYS 286.A N ILE 283.A O no hydrogen 2.980 N/A