Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1nst_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 4.A N TYR 59.A OH no hydrogen 3.190 N/A TRP 4.A NE1 TYR 59.A O no hydrogen 2.790 N/A CYS 8.A N ASP 6.A OD2 no hydrogen 3.036 N/A CYS 8.A SG ASP 6.A OD2 no hydrogen 3.730 N/A ARG 11.A NE PHE 70.A O no hydrogen 2.902 N/A ARG 11.A NH2 PHE 70.A O no hydrogen 3.185 N/A LYS 14.A N TYR 76.A O no hydrogen 2.716 N/A LYS 14.A NZ ASP 74.A O no hydrogen 3.172 N/A LEU 16.A N LYS 101.A O no hydrogen 2.776 N/A ILE 17.A N GLU 78.A O no hydrogen 3.101 N/A ILE 18.A N LEU 103.A O no hydrogen 2.957 N/A THR 23.A OG1 PRO 20.A O no hydrogen 2.806 N/A THR 23.A OG1 ILE 105.A O no hydrogen 3.428 N/A LEU 28.A N GLY 24.A O no hydrogen 3.200 N/A TYR 29.A N THR 25.A O no hydrogen 2.872 N/A TYR 29.A OH ASN 41.A OD1 no hydrogen 3.340 N/A LEU 30.A N THR 26.A O no hydrogen 2.795 N/A PHE 31.A N ALA 27.A O no hydrogen 2.874 N/A LEU 32.A N LEU 28.A O no hydrogen 2.885 N/A GLY 33.A N TYR 29.A O no hydrogen 3.384 N/A MET 34.A N PHE 31.A O no hydrogen 3.072 N/A HIS 35.A N LEU 32.A O no hydrogen 3.135 N/A HIS 35.A NE2 ASN 203.A O no hydrogen 2.685 N/A ASP 37.A N HIS 35.A ND1 no hydrogen 3.177 N/A LEU 38.A N HIS 35.A O no hydrogen 2.832 N/A SER 39.A N PHE 75.A O no hydrogen 2.901 N/A SER 40.A OG TYR 29.A OH no hydrogen 3.126 N/A SER 40.A OG ASN 41.A O no hydrogen 2.901 N/A ASN 41.A ND2 TYR 42.A O no hydrogen 3.511 N/A ASN 41.A ND2 GLU 49.A O no hydrogen 3.107 N/A TYR 42.A N PHE 69.A O no hydrogen 2.947 N/A SER 44.A N PHE 48.A O no hydrogen 2.802 N/A SER 44.A OG THR 47.A OG1 no hydrogen 3.070 N/A GLU 46.A N SER 44.A OG no hydrogen 2.972 N/A THR 47.A N SER 44.A OG no hydrogen 2.881 N/A THR 47.A OG1 SER 44.A OG no hydrogen 3.070 N/A THR 47.A OG1 GLU 50.A O no hydrogen 2.799 N/A PHE 48.A N SER 44.A O no hydrogen 2.739 N/A GLU 50.A N THR 47.A O no hydrogen 3.111 N/A ILE 51.A N SER 80.A OG no hydrogen 3.398 N/A GLN 52.A N SER 80.A OG no hydrogen 2.884 N/A GLN 52.A NE2 GLU 50.A OE1 no hydrogen 3.064 N/A PHE 53.A N TYR 83.A OH no hydrogen 2.978 N/A ASN 58.A ND2 GLN 52.A O no hydrogen 3.409 N/A TYR 59.A N GLY 56.A O no hydrogen 3.356 N/A LYS 61.A N ASN 58.A O no hydrogen 3.153 N/A LYS 61.A NZ ASN 58.A OD1 no hydrogen 2.683 N/A GLY 62.A N TYR 59.A O no hydrogen 3.484 N/A TYR 66.A N GLY 62.A O no hydrogen 3.459 N/A TYR 66.A OH GLU 78.A OE1 no hydrogen 2.755 N/A MET 67.A N ILE 63.A O no hydrogen 2.972 N/A GLU 68.A N ASP 64.A O no hydrogen 3.143 N/A PHE 69.A N TYR 66.A O no hydrogen 3.114 N/A PHE 70.A N MET 67.A O no hydrogen 2.960 N/A PHE 77.A N SER 39.A O no hydrogen 3.089 N/A GLU 78.A N LEU 15.A O no hydrogen 3.300 N/A LYS 79.A NZ THR 25.A OG1 no hydrogen 3.211 N/A LYS 79.A NZ THR 26.A OG1 no hydrogen 3.331 N/A LYS 79.A NZ GLU 49.A OE2 no hydrogen 2.879 N/A LYS 79.A NZ GLU 50.A OE2 no hydrogen 2.822 N/A SER 80.A N ILE 17.A O no hydrogen 3.036 N/A SER 80.A OG GLU 78.A OE2 no hydrogen 2.664 N/A TYR 83.A N SER 80.A O no hydrogen 2.889 N/A TYR 83.A OH GLU 78.A OE1 no hydrogen 2.453 N/A TYR 83.A OH GLU 78.A OE2 no hydrogen 3.344 N/A PHE 84.A N ILE 18.A O no hydrogen 2.650 N/A SER 86.A N ASN 82.A O no hydrogen 3.243 N/A SER 86.A OG ASN 55.A O no hydrogen 3.524 N/A ALA 89.A N SER 86.A OG no hydrogen 3.369 N/A ARG 92.A N VAL 88.A O no hydrogen 3.187 N/A ARG 92.A NH1 PHE 54.A O no hydrogen 2.809 N/A ALA 93.A N ALA 89.A O no hydrogen 2.778 N/A ALA 94.A N PRO 90.A O no hydrogen 2.923 N/A ALA 95.A N ARG 91.A O no hydrogen 2.935 N/A LEU 96.A N ARG 92.A O no hydrogen 3.388 N/A LEU 97.A N ALA 93.A O no hydrogen 2.774 N/A ALA 100.A N LEU 97.A O no hydrogen 3.077 N/A LYS 101.A N LYS 14.A O no hydrogen 2.863 N/A LYS 101.A NZ PHE 198.A O no hydrogen 3.322 N/A VAL 102.A N GLN 175.A O no hydrogen 2.710 N/A LEU 103.A N LEU 16.A O no hydrogen 2.827 N/A THR 104.A N LEU 177.A O no hydrogen 2.977 N/A THR 104.A OG1 GLY 19.A O no hydrogen 2.693 N/A ILE 105.A N GLY 19.A O no hydrogen 2.996 N/A LEU 106.A N LEU 179.A O no hydrogen 3.051 N/A ALA 110.A N ASN 108.A OD1 no hydrogen 3.005 N/A ARG 112.A N ASN 108.A O no hydrogen 2.972 N/A ARG 112.A NE GLN 21.A O no hydrogen 3.004 N/A ALA 113.A N PRO 109.A O no hydrogen 2.818 N/A TYR 114.A N ALA 110.A O no hydrogen 2.941 N/A TYR 114.A OH PRO 241.A O no hydrogen 2.592 N/A SER 115.A N ASP 111.A O no hydrogen 2.817 N/A TRP 116.A N ARG 112.A O no hydrogen 3.215 N/A TYR 117.A N ALA 113.A O no hydrogen 3.061 N/A TYR 117.A OH ALA 128.A O no hydrogen 3.203 N/A TYR 117.A OH TYR 131.A O no hydrogen 2.706 N/A GLN 118.A N TYR 114.A O no hydrogen 2.831 N/A HIS 119.A N SER 115.A O no hydrogen 2.741 N/A HIS 119.A ND1 GLN 120.A OE1 no hydrogen 3.100 N/A GLN 120.A N TRP 116.A O no hydrogen 2.768 N/A GLN 120.A NE2 ASP 125.A OD1 no hydrogen 3.484 N/A ARG 121.A N TYR 117.A O no hydrogen 2.999 N/A ARG 121.A NH1 TYR 117.A OH no hydrogen 3.339 N/A ARG 121.A NH1 ALA 128.A O no hydrogen 3.359 N/A ALA 122.A N GLN 118.A O no hydrogen 3.014 N/A HIS 123.A N HIS 119.A O no hydrogen 3.172 N/A ASP 124.A N ARG 121.A O no hydrogen 2.696 N/A ASP 125.A N GLN 120.A O no hydrogen 2.682 N/A VAL 127.A N ASP 125.A OD2 no hydrogen 2.858 N/A ALA 128.A N ASP 125.A OD2 no hydrogen 3.367 N/A LEU 129.A N ASP 125.A O no hydrogen 2.808 N/A LYS 130.A N PRO 126.A O no hydrogen 2.636 N/A TYR 131.A N VAL 127.A O no hydrogen 3.082 N/A HIS 134.A ND1 SER 247.A OG no hydrogen 2.920 N/A VAL 136.A N THR 132.A O no hydrogen 3.061 N/A ILE 137.A N PHE 133.A O no hydrogen 3.031 N/A THR 138.A N HIS 134.A O no hydrogen 3.013 N/A THR 138.A OG1 HIS 134.A O no hydrogen 2.612 N/A ALA 139.A N VAL 136.A O no hydrogen 3.305 N/A ALA 143.A N GLY 140.A O no hydrogen 2.756 N/A LEU 147.A N SER 144.A OG no hydrogen 3.358 N/A ARG 148.A N SER 144.A O no hydrogen 3.061 N/A ALA 149.A N SER 145.A O no hydrogen 2.794 N/A LEU 150.A N LYS 146.A O no hydrogen 2.986 N/A GLN 151.A N LEU 147.A O no hydrogen 3.143 N/A GLN 151.A NE2 ILE 137.A O no hydrogen 2.998 N/A GLN 151.A NE2 ALA 139.A O no hydrogen 3.673 N/A ASN 152.A N ARG 148.A O no hydrogen 3.033 N/A ARG 153.A N ALA 149.A O no hydrogen 3.139 N/A ARG 153.A NH2 GLN 21.A OE1 no hydrogen 2.643 N/A CYS 154.A N LEU 150.A O no hydrogen 3.114 N/A CYS 154.A N GLN 151.A O no hydrogen 3.133 N/A CYS 154.A SG ALA 113.A O no hydrogen 3.632 N/A CYS 154.A SG LEU 150.A O no hydrogen 3.461 N/A LEU 155.A N GLN 151.A O no hydrogen 2.884 N/A VAL 156.A N ASN 152.A O no hydrogen 2.846 N/A GLY 158.A N LEU 155.A O no hydrogen 2.831 N/A TRP 159.A N VAL 156.A O no hydrogen 3.009 N/A TRP 159.A NE1 TYR 254.A OH no hydrogen 3.061 N/A TYR 160.A OH ILE 107.A O no hydrogen 2.662 N/A HIS 163.A N TRP 159.A O no hydrogen 3.482 N/A ILE 164.A N TYR 160.A O no hydrogen 2.968 N/A GLU 165.A N ALA 161.A O no hydrogen 2.950 N/A TRP 167.A N HIS 163.A O no hydrogen 3.373 N/A TRP 167.A NE1 TYR 83.A O no hydrogen 3.036 N/A TRP 167.A NE1 PHE 84.A O no hydrogen 3.173 N/A LEU 168.A N ILE 164.A O no hydrogen 2.825 N/A SER 169.A OG GLU 165.A O no hydrogen 3.215 N/A SER 169.A OG ARG 166.A O no hydrogen 2.608 N/A ALA 170.A N TRP 167.A O no hydrogen 3.131 N/A TYR 171.A N TRP 167.A O no hydrogen 2.867 N/A TYR 171.A OH LEU 97.A O no hydrogen 2.831 N/A ASN 174.A N HIS 172.A ND1 no hydrogen 2.993 N/A GLN 175.A N HIS 172.A O no hydrogen 3.086 N/A GLN 175.A NE2 PRO 98.A O no hydrogen 3.108 N/A GLN 175.A NE2 ALA 100.A O no hydrogen 3.135 N/A ILE 176.A N ALA 173.A O no hydrogen 3.015 N/A LEU 177.A N VAL 102.A O no hydrogen 2.774 N/A VAL 178.A N GLN 271.A OE1 no hydrogen 2.822 N/A LEU 179.A N THR 104.A O no hydrogen 2.766 N/A GLY 181.A N LEU 106.A O no hydrogen 2.627 N/A LYS 182.A N ASP 180.A OD1 no hydrogen 2.944 N/A LEU 183.A N ASP 180.A OD1 no hydrogen 3.387 N/A LEU 184.A N ASP 180.A O no hydrogen 3.024 N/A ARG 185.A N GLY 181.A O no hydrogen 3.271 N/A THR 186.A N LYS 182.A O no hydrogen 2.848 N/A GLU 187.A N LEU 183.A O no hydrogen 2.619 N/A LYS 190.A N GLU 187.A O no hydrogen 2.913 N/A LYS 190.A NZ GLU 187.A OE1 no hydrogen 3.159 N/A LYS 190.A NZ GLU 187.A OE2 no hydrogen 3.387 N/A MET 192.A N PRO 188.A O no hydrogen 2.890 N/A MET 194.A N LYS 190.A O no hydrogen 3.421 N/A VAL 195.A N VAL 191.A O no hydrogen 2.897 N/A GLN 196.A N MET 192.A O no hydrogen 3.193 N/A GLN 196.A NE2 MET 192.A O no hydrogen 3.142 N/A GLN 196.A NE2 ILE 205.A O no hydrogen 2.892 N/A LYS 197.A N ASP 193.A O no hydrogen 2.956 N/A PHE 198.A N MET 194.A O no hydrogen 2.801 N/A LEU 199.A N VAL 195.A O no hydrogen 2.766 N/A LEU 199.A N GLN 196.A O no hydrogen 2.901 N/A GLY 200.A N LYS 197.A O no hydrogen 3.219 N/A VAL 201.A N GLN 196.A O no hydrogen 3.017 N/A ASN 203.A ND2 ASP 37.A OD1 no hydrogen 2.627 N/A ILE 205.A N GLN 196.A OE1 no hydrogen 2.784 N/A TYR 207.A OH PHE 31.A O no hydrogen 2.777 N/A HIS 208.A N ASP 206.A OD2 no hydrogen 2.787 N/A THR 210.A N TYR 207.A O no hydrogen 2.896 N/A THR 210.A OG1 LYS 209.A O no hydrogen 3.164 N/A ALA 212.A N CYS 221.A O no hydrogen 2.907 N/A ASP 214.A N PHE 219.A O no hydrogen 2.803 N/A LYS 217.A N ASP 214.A O no hydrogen 2.866 N/A LYS 217.A N ASP 214.A OD2 no hydrogen 2.756 N/A LYS 217.A NZ LEU 232.A O no hydrogen 3.003 N/A LYS 217.A NZ LYS 236.A O no hydrogen 2.780 N/A GLY 218.A N ASP 214.A O no hydrogen 2.612 N/A CYS 221.A N ALA 212.A O no hydrogen 2.776 N/A CYS 221.A SG PHE 219.A O no hydrogen 3.809 N/A GLN 222.A N LYS 230.A O no hydrogen 2.936 N/A LEU 223.A N THR 210.A O no hydrogen 3.364 N/A LEU 224.A N LYS 228.A O no hydrogen 2.739 N/A GLU 225.A N GLU 225.A OE2 no hydrogen 2.950 N/A THR 229.A OG1 ASP 214.A OD1 no hydrogen 2.731 N/A LYS 230.A N GLN 222.A O no hydrogen 2.902 N/A CYS 231.A SG THR 229.A OG1 no hydrogen 3.761 N/A LYS 236.A N GLY 233.A O no hydrogen 2.900 N/A ASP 246.A N ASP 244.A OD2 no hydrogen 3.327 N/A SER 247.A OG HIS 134.A ND1 no hydrogen 2.920 N/A ARG 248.A N ASP 244.A O no hydrogen 2.889 N/A ARG 248.A NH2 ASP 111.A OD1 no hydrogen 2.720 N/A ALA 249.A N LEU 245.A O no hydrogen 3.009 N/A PHE 250.A N ASP 246.A O no hydrogen 2.803 N/A LEU 251.A N SER 247.A O no hydrogen 2.969 N/A LYS 252.A N ARG 248.A O no hydrogen 2.775 N/A LYS 252.A NZ ASP 280.A O no hydrogen 3.308 N/A ASP 253.A N ALA 249.A O no hydrogen 3.077 N/A TYR 254.A N PHE 250.A O no hydrogen 3.246 N/A TYR 255.A N LEU 251.A O no hydrogen 3.072 N/A TYR 255.A OH LEU 155.A O no hydrogen 2.836 N/A ARG 256.A N LYS 252.A O no hydrogen 3.202 N/A ASN 259.A N TYR 255.A O no hydrogen 2.667 N/A ASN 259.A ND2 ASP 280.A OD2 no hydrogen 2.887 N/A ILE 260.A N ARG 256.A O no hydrogen 2.932 N/A GLU 261.A N ASP 257.A O no hydrogen 2.946 N/A LEU 262.A N HIS 258.A O no hydrogen 2.894 N/A SER 263.A N ASN 259.A O no hydrogen 3.068 N/A SER 263.A OG ILE 260.A O no hydrogen 3.262 N/A LYS 264.A N ILE 260.A O no hydrogen 3.220 N/A LYS 264.A NZ GLU 261.A OE1 no hydrogen 3.078 N/A LYS 264.A NZ GLU 261.A OE2 no hydrogen 3.239 N/A LEU 265.A N GLU 261.A O no hydrogen 2.877 N/A LEU 266.A N LEU 262.A O no hydrogen 2.859 N/A TYR 267.A N SER 263.A O no hydrogen 3.223 N/A LYS 268.A N LYS 264.A O no hydrogen 2.932 N/A MET 269.A N LEU 265.A O no hydrogen 2.745 N/A MET 269.A N LEU 266.A O no hydrogen 2.728 N/A GLY 270.A N TYR 267.A O no hydrogen 2.960 N/A GLN 271.A N LEU 266.A O no hydrogen 2.965 N/A GLN 271.A NE2 ILE 176.A O no hydrogen 3.039 N/A THR 275.A N ASP 180.A OD2 no hydrogen 2.857 N/A THR 275.A OG1 ASP 180.A OD2 no hydrogen 3.031 N/A TRP 276.A NE1 LEU 106.A O no hydrogen 3.022 N/A ARG 278.A N PRO 274.A O no hydrogen 3.037 N/A GLU 279.A N THR 275.A O no hydrogen 3.168 N/A ASP 280.A N TRP 276.A O no hydrogen 3.080 N/A LEU 281.A N LEU 277.A O no hydrogen 3.001 N/A GLN 282.A N GLU 279.A O no hydrogen 3.092 N/A