Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3i5n_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 6.A N ASP 3.A O no hydrogen 3.260 N/A LEU 7.A N LEU 4.A O no hydrogen 3.421 N/A GLU 10.A N ASN 8.A OD1 no hydrogen 3.034 N/A LEU 11.A N ASN 8.A O no hydrogen 2.777 N/A ALA 14.A N LEU 11.A O no hydrogen 3.139 N/A VAL 15.A N VAL 12.A O no hydrogen 3.192 N/A VAL 18.A N VAL 15.A O no hydrogen 3.157 N/A VAL 19.A N VAL 15.A O no hydrogen 3.055 N/A ILE 20.A N ILE 89.A O no hydrogen 2.711 N/A SER 24.A N GLY 21.A O no hydrogen 2.779 N/A ILE 26.A N THR 45.A O no hydrogen 3.012 N/A HIS 28.A N HIS 43.A O no hydrogen 2.970 N/A GLU 31.A N HIS 28.A O no hydrogen 3.491 N/A ILE 33.A N VAL 41.A O no hydrogen 3.089 N/A GLY 36.A N GLY 39.A O no hydrogen 3.059 N/A HIS 37.A N MET 168.A O no hydrogen 3.346 N/A PHE 38.A N ASP 167.A OD1 no hydrogen 3.065 N/A PHE 38.A N ASP 167.A OD2 no hydrogen 2.998 N/A VAL 41.A N GLY 34.A O no hydrogen 2.941 N/A TYR 42.A N VAL 58.A O no hydrogen 2.759 N/A GLY 44.A N CYS 56.A O no hydrogen 2.861 N/A THR 45.A N ILE 26.A O no hydrogen 2.765 N/A LEU 46.A N ILE 54.A O no hydrogen 3.027 N/A LEU 47.A N SER 24.A O no hydrogen 2.884 N/A ASP 48.A N LYS 52.A O no hydrogen 3.171 N/A ILE 54.A N LEU 46.A O no hydrogen 3.052 N/A HIS 55.A NE2 HIS 43.A ND1 no hydrogen 3.296 N/A CYS 56.A N GLY 44.A O no hydrogen 2.884 N/A ALA 57.A N LEU 96.A O no hydrogen 2.703 N/A VAL 58.A N TYR 42.A O no hydrogen 2.798 N/A LYS 59.A N VAL 94.A O no hydrogen 2.779 N/A LYS 59.A NZ ASP 167.A OD2 no hydrogen 2.536 N/A SER 60.A N CYS 40.A O no hydrogen 2.821 N/A ARG 63.A NH1 HIS 37.A O no hydrogen 2.777 N/A SER 66.A OG ALA 6.A O no hydrogen 2.994 N/A PHE 68.A N GLU 64.A O no hydrogen 3.010 N/A LEU 69.A N VAL 65.A O no hydrogen 3.095 N/A THR 70.A N SER 66.A O no hydrogen 3.264 N/A THR 70.A OG1 GLN 67.A O no hydrogen 2.826 N/A GLU 71.A N GLN 67.A O no hydrogen 3.012 N/A GLY 72.A N PHE 68.A O no hydrogen 3.090 N/A ILE 73.A N LEU 69.A O no hydrogen 2.772 N/A ILE 74.A N THR 70.A O no hydrogen 2.892 N/A MET 75.A N GLU 71.A O no hydrogen 3.174 N/A LYS 76.A N GLY 72.A O no hydrogen 2.970 N/A LYS 76.A NZ HIS 17.A O no hydrogen 2.851 N/A PHE 78.A N MET 75.A O no hydrogen 3.229 N/A SER 79.A N TYR 133.A OH no hydrogen 2.766 N/A ASN 82.A N HIS 80.A ND1 no hydrogen 3.109 N/A ASN 82.A ND2 VAL 157.A O no hydrogen 3.007 N/A VAL 83.A N HIS 80.A O no hydrogen 3.085 N/A LEU 84.A N VAL 159.A O no hydrogen 2.838 N/A LEU 87.A N VAL 95.A O no hydrogen 2.983 N/A GLY 88.A N VAL 95.A O no hydrogen 3.344 N/A ILE 89.A N VAL 18.A O no hydrogen 2.814 N/A CYS 90.A N LEU 93.A O no hydrogen 2.899 N/A CYS 90.A SG ILE 20.A O no hydrogen 3.550 N/A LEU 93.A N CYS 90.A O no hydrogen 2.760 N/A VAL 94.A N LYS 59.A O no hydrogen 3.034 N/A VAL 95.A N GLY 88.A O no hydrogen 2.915 N/A LEU 96.A N ALA 57.A O no hydrogen 2.791 N/A TYR 98.A N HIS 55.A O no hydrogen 3.486 N/A HIS 101.A N LEU 151.A O no hydrogen 3.091 N/A GLY 102.A N MET 99.A O no hydrogen 3.061 N/A LEU 104.A N CYS 149.A O no hydrogen 2.757 N/A ARG 105.A N ALA 146.A O no hydrogen 3.178 N/A ARG 105.A NE GLY 214.A O no hydrogen 3.265 N/A ARG 105.A NH2 GLY 214.A O no hydrogen 3.096 N/A ASN 106.A N ASP 103.A OD2 no hydrogen 3.182 N/A PHE 107.A N ASP 103.A O no hydrogen 3.080 N/A ILE 108.A N LEU 104.A O no hydrogen 3.116 N/A ARG 109.A N ARG 105.A O no hydrogen 3.138 N/A ARG 109.A N ASN 106.A O no hydrogen 3.245 N/A ARG 109.A NH2 GLY 214.A O no hydrogen 2.795 N/A ASN 110.A N PHE 107.A O no hydrogen 3.365 N/A THR 112.A N ASN 110.A OD1 no hydrogen 2.802 N/A THR 112.A OG1 ASN 110.A OD1 no hydrogen 2.856 N/A THR 116.A N ASP 119.A OD2 no hydrogen 3.149 N/A THR 116.A OG1 GLY 280.A O no hydrogen 2.925 N/A LYS 118.A NZ PHE 275.A O no hydrogen 2.714 N/A LYS 118.A NZ PHE 278.A O no hydrogen 3.023 N/A ASP 119.A N THR 116.A OG1 no hydrogen 3.216 N/A LEU 120.A N THR 116.A O no hydrogen 2.941 N/A ILE 121.A N VAL 117.A O no hydrogen 2.979 N/A GLY 122.A N LYS 118.A O no hydrogen 2.866 N/A PHE 123.A N ASP 119.A O no hydrogen 2.888 N/A GLY 124.A N LEU 120.A O no hydrogen 3.128 N/A LEU 125.A N ILE 121.A O no hydrogen 2.788 N/A GLN 126.A N GLY 122.A O no hydrogen 2.917 N/A GLN 126.A NE2 GLY 122.A O no hydrogen 3.489 N/A VAL 127.A N PHE 123.A O no hydrogen 3.068 N/A ALA 128.A N GLY 124.A O no hydrogen 2.990 N/A LYS 129.A N LEU 125.A O no hydrogen 2.999 N/A GLY 130.A N GLN 126.A O no hydrogen 3.069 N/A MET 131.A N VAL 127.A O no hydrogen 2.900 N/A LYS 132.A N ALA 128.A O no hydrogen 2.847 N/A TYR 133.A N LYS 129.A O no hydrogen 3.072 N/A LEU 134.A N GLY 130.A O no hydrogen 3.031 N/A ALA 135.A N MET 131.A O no hydrogen 2.894 N/A SER 136.A N LYS 132.A O no hydrogen 3.116 N/A SER 136.A OG TYR 133.A O no hydrogen 2.655 N/A LYS 137.A N TYR 133.A O no hydrogen 3.208 N/A LYS 138.A N ALA 135.A O no hydrogen 3.013 N/A PHE 139.A N LEU 134.A O no hydrogen 2.997 N/A HIS 141.A N ASP 199.A OD2 no hydrogen 2.871 N/A HIS 141.A NE2 ALA 160.A O no hydrogen 2.653 N/A ARG 142.A N ASP 199.A OD1 no hydrogen 2.976 N/A ASP 143.A N HIS 141.A ND1 no hydrogen 3.097 N/A ALA 146.A N GLU 209.A OE1 no hydrogen 2.998 N/A ARG 147.A NE TYR 174.A OH no hydrogen 2.980 N/A ARG 147.A NH1 ASP 143.A OD1 no hydrogen 3.233 N/A ARG 147.A NH1 TYR 174.A OH no hydrogen 3.475 N/A ASN 148.A N ALA 145.A O no hydrogen 2.964 N/A ASN 148.A ND2 ASP 143.A O no hydrogen 2.786 N/A ASN 148.A ND2 TYR 174.A OH no hydrogen 3.507 N/A CYS 149.A N ALA 146.A O no hydrogen 3.372 N/A CYS 149.A SG ALA 145.A O no hydrogen 3.641 N/A MET 150.A N LYS 158.A O no hydrogen 2.895 N/A LEU 151.A N GLY 102.A O no hydrogen 2.907 N/A ASP 152.A N THR 156.A O no hydrogen 3.146 N/A GLU 153.A N GLU 153.A OE1 no hydrogen 2.780 N/A LYS 154.A N ASP 152.A OD1 no hydrogen 2.840 N/A PHE 155.A N ASP 152.A O no hydrogen 3.051 N/A THR 156.A N ASP 152.A OD1 no hydrogen 3.000 N/A VAL 157.A N GLN 126.A OE1 no hydrogen 2.713 N/A LYS 158.A N MET 150.A O no hydrogen 2.759 N/A LYS 158.A NZ PRO 81.A O no hydrogen 2.757 N/A VAL 159.A N ASN 82.A O no hydrogen 2.794 N/A ALA 160.A N ASN 148.A O no hydrogen 3.117 N/A ALA 165.A N PHE 162.A O no hydrogen 3.120 N/A ARG 166.A N GLY 163.A O no hydrogen 3.441 N/A ASP 167.A N ASP 161.A OD1 no hydrogen 2.819 N/A MET 168.A N ASP 167.A OD1 no hydrogen 2.728 N/A TYR 169.A OH ALA 165.A O no hydrogen 2.500 N/A TYR 173.A N ASP 170.A O no hydrogen 3.383 N/A TYR 174.A N LYS 171.A O no hydrogen 3.319 N/A TYR 174.A OH ASP 143.A OD2 no hydrogen 2.571 N/A SER 175.A N LEU 179.A O no hydrogen 2.869 N/A LEU 179.A N SER 175.A O no hydrogen 2.863 N/A LYS 182.A NZ TYR 218.A O no hydrogen 2.742 N/A LYS 182.A NZ VAL 221.A O no hydrogen 2.724 N/A TRP 183.A N PRO 180.A O no hydrogen 2.842 N/A TRP 183.A NE1 GLU 209.A OE1 no hydrogen 2.915 N/A MET 184.A N VAL 181.A O no hydrogen 3.145 N/A GLU 187.A N GLU 187.A OE2 no hydrogen 2.835 N/A SER 188.A N ALA 185.A O no hydrogen 2.946 N/A SER 188.A OG LYS 193.A O no hydrogen 2.727 N/A LEU 189.A N ALA 185.A O no hydrogen 3.050 N/A GLN 190.A N LEU 186.A O no hydrogen 3.238 N/A THR 191.A N GLU 187.A O no hydrogen 2.930 N/A THR 191.A OG1 GLU 187.A O no hydrogen 2.740 N/A GLN 192.A N SER 188.A O no hydrogen 2.681 N/A LYS 193.A N THR 191.A OG1 no hydrogen 3.156 N/A THR 195.A N SER 198.A OG no hydrogen 2.787 N/A LYS 197.A NZ ARG 261.A O no hydrogen 2.705 N/A SER 198.A N THR 195.A OG1 no hydrogen 3.166 N/A SER 198.A OG THR 195.A O no hydrogen 2.935 N/A ASP 199.A N THR 195.A O no hydrogen 2.984 N/A VAL 200.A N THR 196.A O no hydrogen 2.947 N/A TRP 201.A N LYS 197.A O no hydrogen 3.313 N/A SER 202.A N SER 198.A O no hydrogen 3.165 N/A SER 202.A OG TRP 183.A O no hydrogen 2.686 N/A SER 202.A OG SER 198.A O no hydrogen 3.173 N/A PHE 203.A N ASP 199.A O no hydrogen 2.842 N/A GLY 204.A N VAL 200.A O no hydrogen 3.121 N/A VAL 205.A N TRP 201.A O no hydrogen 3.342 N/A LEU 206.A N SER 202.A O no hydrogen 2.951 N/A LEU 207.A N PHE 203.A O no hydrogen 2.865 N/A TRP 208.A N GLY 204.A O no hydrogen 3.113 N/A TRP 208.A NE1 LEU 237.A O no hydrogen 2.735 N/A GLU 209.A N VAL 205.A O no hydrogen 2.877 N/A LEU 210.A N LEU 206.A O no hydrogen 3.001 N/A MET 211.A N LEU 207.A O no hydrogen 3.047 N/A THR 212.A N TRP 208.A O no hydrogen 3.111 N/A THR 212.A OG1 TRP 208.A O no hydrogen 2.993 N/A THR 212.A OG1 GLU 209.A O no hydrogen 3.095 N/A ARG 213.A N LEU 210.A O no hydrogen 3.171 N/A ARG 213.A NE ILE 108.A O no hydrogen 2.903 N/A ARG 213.A NH1 ILE 108.A O no hydrogen 3.327 N/A ARG 213.A NH1 HIS 113.A O no hydrogen 2.896 N/A GLY 214.A N GLU 209.A O no hydrogen 2.720 N/A ALA 215.A N THR 212.A OG1 no hydrogen 3.204 N/A VAL 221.A N TYR 218.A O no hydrogen 3.238 N/A ASP 225.A N ASN 222.A O no hydrogen 2.992 N/A ILE 226.A N THR 223.A O no hydrogen 3.254 N/A TYR 229.A N ASP 225.A O no hydrogen 3.019 N/A LEU 230.A N ILE 226.A O no hydrogen 2.834 N/A LEU 231.A N THR 227.A O no hydrogen 3.081 N/A GLN 232.A N VAL 228.A O no hydrogen 3.212 N/A GLN 232.A N TYR 229.A O no hydrogen 3.387 N/A GLY 233.A N LEU 230.A O no hydrogen 2.940 N/A ARG 234.A N LEU 230.A O no hydrogen 3.237 N/A ARG 234.A NE GLN 232.A OE1 no hydrogen 2.919 N/A ARG 234.A NH1 GLN 232.A OE1 no hydrogen 3.474 N/A ARG 235.A NE TRP 254.A O no hydrogen 3.187 N/A ARG 235.A NH1 ARG 234.A O no hydrogen 2.977 N/A ARG 235.A NH2 TRP 254.A O no hydrogen 2.738 N/A GLN 238.A NE2 CYS 242.A O no hydrogen 2.896 N/A GLN 238.A NE2 ASP 244.A OD1 no hydrogen 2.820 N/A CYS 242.A N PRO 239.A O no hydrogen 3.111 N/A CYS 242.A SG PRO 243.A O no hydrogen 3.443 N/A TYR 247.A N PRO 243.A O no hydrogen 3.065 N/A TYR 247.A OH LEU 236.A O no hydrogen 2.649 N/A GLU 248.A N ASP 244.A O no hydrogen 2.963 N/A VAL 249.A N PRO 245.A O no hydrogen 2.984 N/A MET 250.A N LEU 246.A O no hydrogen 2.970 N/A LEU 251.A N TYR 247.A O no hydrogen 2.900 N/A LYS 252.A N GLU 248.A O no hydrogen 3.113 N/A CYS 253.A N VAL 249.A O no hydrogen 2.976 N/A CYS 253.A SG VAL 249.A O no hydrogen 3.416 N/A TRP 254.A N MET 250.A O no hydrogen 3.102 N/A TRP 254.A N LEU 251.A O no hydrogen 3.257 N/A TRP 254.A NE1 TRP 201.A O no hydrogen 3.127 N/A HIS 255.A N LYS 252.A O no hydrogen 3.210 N/A LYS 257.A N HIS 255.A ND1 no hydrogen 3.017 N/A GLU 259.A N GLU 259.A OE1 no hydrogen 2.808 N/A MET 260.A N LYS 257.A O no hydrogen 2.867 N/A ARG 261.A N ALA 258.A O no hydrogen 3.143 N/A ARG 261.A NE HIS 255.A O no hydrogen 2.873 N/A ARG 261.A NH1 GLU 187.A OE1 no hydrogen 2.709 N/A ARG 261.A NH1 LYS 197.A O no hydrogen 3.046 N/A ARG 261.A NH2 GLU 187.A OE1 no hydrogen 3.429 N/A ARG 261.A NH2 GLU 187.A OE2 no hydrogen 2.746 N/A ARG 261.A NH2 HIS 255.A O no hydrogen 3.121 N/A GLU 266.A N SER 263.A OG no hydrogen 3.220 N/A LEU 267.A N SER 263.A O no hydrogen 3.106 N/A VAL 268.A N PHE 264.A O no hydrogen 2.900 N/A SER 269.A N SER 265.A O no hydrogen 3.142 N/A ARG 270.A N GLU 266.A O no hydrogen 2.878 N/A ARG 270.A NE GLU 266.A OE2 no hydrogen 2.816 N/A ARG 270.A NH1 GLU 266.A OE2 no hydrogen 3.411 N/A ILE 271.A N LEU 267.A O no hydrogen 2.941 N/A SER 272.A N VAL 268.A O no hydrogen 2.929 N/A SER 272.A OG VAL 268.A O no hydrogen 3.193 N/A SER 272.A OG SER 269.A O no hydrogen 2.739 N/A ALA 273.A N SER 269.A O no hydrogen 3.209 N/A ILE 274.A N ARG 270.A O no hydrogen 3.258 N/A PHE 275.A N ILE 271.A O no hydrogen 2.867 N/A SER 276.A N SER 272.A O no hydrogen 3.034 N/A SER 276.A OG ALA 273.A O no hydrogen 2.574 N/A THR 277.A N ILE 274.A O no hydrogen 3.172 N/A THR 277.A OG1 ILE 274.A O no hydrogen 2.714 N/A PHE 278.A N PHE 275.A O no hydrogen 3.210 N/A