Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5caq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 4.A ND2 TYR 66.A OH no hydrogen 2.911 N/A ASN 4.A ND2 SER 70.A OG no hydrogen 3.006 N/A ALA 6.A N ASN 4.A OD1 no hydrogen 3.406 N/A LEU 11.A N ILE 82.A O no hydrogen 2.851 N/A GLU 15.A N LYS 12.A O no hydrogen 3.016 N/A PHE 16.A N GLU 13.A O no hydrogen 3.362 N/A LYS 17.A N LEU 34.A O no hydrogen 2.977 N/A LYS 17.A NZ THR 14.A O no hydrogen 2.844 N/A LYS 18.A NZ GLU 50.A OE1 no hydrogen 3.550 N/A LYS 18.A NZ GLU 50.A OE2 no hydrogen 3.470 N/A LYS 18.A NZ GLN 89.A OE1 no hydrogen 3.545 N/A ILE 19.A N LYS 32.A O no hydrogen 2.717 N/A LEU 22.A N VAL 30.A O no hydrogen 2.773 N/A GLY 23.A N VAL 30.A O no hydrogen 3.320 N/A SER 24.A OG GLY 28.A O no hydrogen 3.360 N/A GLY 25.A N GLY 28.A O no hydrogen 3.083 N/A THR 29.A N GLU 50.A O no hydrogen 2.952 N/A THR 29.A OG1 GLY 23.A O no hydrogen 3.447 N/A VAL 30.A N GLY 23.A O no hydrogen 2.836 N/A TYR 31.A N ILE 48.A O no hydrogen 2.874 N/A TYR 31.A OH GLU 50.A OE1 no hydrogen 3.183 N/A LYS 32.A N LYS 20.A O no hydrogen 2.809 N/A GLY 33.A N VAL 46.A O no hydrogen 2.849 N/A LEU 34.A N LYS 17.A O no hydrogen 3.024 N/A TRP 35.A N ILE 44.A O no hydrogen 2.864 N/A TRP 35.A NE1 GLU 15.A OE2 no hydrogen 3.156 N/A ILE 36.A N GLU 15.A O no hydrogen 2.828 N/A GLU 38.A N GLU 15.A OE1 no hydrogen 2.810 N/A GLU 40.A N PRO 37.A O no hydrogen 3.337 N/A LYS 43.A N ASP 292.A O no hydrogen 2.952 N/A LYS 43.A NZ ASP 291.A O no hydrogen 3.296 N/A ILE 44.A N TRP 35.A O no hydrogen 2.817 N/A VAL 46.A N GLY 33.A O no hydrogen 2.965 N/A ALA 47.A N MET 92.A O no hydrogen 2.861 N/A ILE 48.A N TYR 31.A O no hydrogen 2.829 N/A LYS 49.A N LEU 90.A O no hydrogen 2.846 N/A LYS 49.A NZ GLU 64.A OE1 no hydrogen 2.802 N/A LYS 49.A NZ GLU 64.A OE2 no hydrogen 3.060 N/A GLU 50.A N THR 29.A O no hydrogen 2.794 N/A LEU 51.A N VAL 88.A O no hydrogen 3.450 N/A THR 53.A OG1 SER 86.A O no hydrogen 3.321 N/A ASN 58.A N SER 54.A O no hydrogen 3.361 N/A LYS 59.A NZ ASP 63.A OD2 no hydrogen 2.934 N/A GLU 60.A N LYS 56.A O no hydrogen 3.260 N/A ILE 61.A N ALA 57.A O no hydrogen 3.201 N/A LEU 62.A N ASN 58.A O no hydrogen 3.079 N/A ASP 63.A N LYS 59.A O no hydrogen 2.861 N/A GLU 64.A N GLU 60.A O no hydrogen 3.149 N/A ALA 65.A N ILE 61.A O no hydrogen 2.828 N/A TYR 66.A N LEU 62.A O no hydrogen 2.916 N/A VAL 67.A N ASP 63.A O no hydrogen 3.321 N/A MET 68.A N GLU 64.A O no hydrogen 2.947 N/A ALA 69.A N ALA 65.A O no hydrogen 2.851 N/A SER 70.A N VAL 67.A O no hydrogen 2.904 N/A SER 70.A OG TYR 66.A O no hydrogen 2.672 N/A ASP 72.A N TYR 129.A OH no hydrogen 2.810 N/A HIS 75.A N ASN 73.A OD1 no hydrogen 2.819 N/A VAL 76.A N ASN 73.A O no hydrogen 3.206 N/A CYS 77.A N ILE 155.A O no hydrogen 2.934 N/A LEU 79.A N MET 68.A O no hydrogen 2.847 N/A LEU 80.A N ILE 91.A O no hydrogen 2.949 N/A GLY 81.A N ILE 91.A O no hydrogen 3.402 N/A ILE 82.A N ARG 9.A O no hydrogen 2.900 N/A CYS 83.A N GLN 89.A O no hydrogen 2.872 N/A CYS 83.A SG LEU 11.A O no hydrogen 3.571 N/A THR 85.A OG1 THR 87.A OG1 no hydrogen 3.427 N/A THR 87.A OG1 GLU 50.A OE2 no hydrogen 3.077 N/A THR 87.A OG1 THR 85.A OG1 no hydrogen 3.427 N/A GLN 89.A N CYS 83.A O no hydrogen 3.072 N/A LEU 90.A N LYS 49.A O no hydrogen 2.837 N/A ILE 91.A N GLY 81.A O no hydrogen 2.818 N/A MET 92.A N ALA 47.A O no hydrogen 2.803 N/A GLN 93.A NE2 ASP 295.A OD1 no hydrogen 3.470 N/A GLN 93.A NE2 ASP 297.A OD2 no hydrogen 3.136 N/A LEU 94.A N PRO 45.A O no hydrogen 3.442 N/A PHE 97.A N VAL 147.A O no hydrogen 3.258 N/A GLY 98.A N MET 95.A O no hydrogen 3.216 N/A CYS 99.A SG ASP 102.A OD1 no hydrogen 3.397 N/A LEU 100.A N VAL 145.A O no hydrogen 2.757 N/A LEU 101.A N ALA 142.A O no hydrogen 3.265 N/A TYR 103.A N CYS 99.A O no hydrogen 3.180 N/A VAL 104.A N LEU 100.A O no hydrogen 2.937 N/A ARG 105.A N LEU 101.A O no hydrogen 3.347 N/A ARG 105.A NE GLY 199.A O no hydrogen 2.811 N/A ARG 105.A NH2 GLY 199.A O no hydrogen 2.978 N/A GLU 106.A N ASP 102.A O no hydrogen 2.825 N/A HIS 107.A N TYR 103.A O no hydrogen 2.822 N/A LYS 108.A NZ ARG 105.A O no hydrogen 2.812 N/A ASN 110.A N HIS 107.A O no hydrogen 2.920 N/A ILE 111.A N LYS 108.A O no hydrogen 3.413 N/A SER 113.A N ASP 272.A OD1 no hydrogen 3.304 N/A SER 113.A OG ASP 272.A OD2 no hydrogen 2.712 N/A GLN 114.A NE2 GLN 114.A O no hydrogen 3.241 N/A GLN 114.A NE2 ASN 118.A OD1 no hydrogen 2.998 N/A GLN 114.A NE2 ALA 260.A O no hydrogen 3.074 N/A LEU 116.A N GLY 112.A O no hydrogen 3.267 N/A LEU 117.A N SER 113.A O no hydrogen 3.028 N/A ASN 118.A N GLN 114.A O no hydrogen 2.961 N/A TRP 119.A N TYR 115.A O no hydrogen 2.879 N/A TRP 119.A NE1 PRO 150.A O no hydrogen 2.813 N/A CYS 120.A N LEU 116.A O no hydrogen 3.141 N/A CYS 120.A SG LEU 116.A O no hydrogen 3.380 N/A VAL 121.A N LEU 117.A O no hydrogen 3.083 N/A GLN 122.A N ASN 118.A O no hydrogen 3.030 N/A GLN 122.A NE2 GLN 151.A O no hydrogen 3.038 N/A ILE 123.A N TRP 119.A O no hydrogen 2.873 N/A ALA 124.A N CYS 120.A O no hydrogen 3.011 N/A LYS 125.A N VAL 121.A O no hydrogen 2.918 N/A GLY 126.A N GLN 122.A O no hydrogen 3.033 N/A MET 127.A N ILE 123.A O no hydrogen 2.945 N/A ASN 128.A N ALA 124.A O no hydrogen 2.816 N/A TYR 129.A N LYS 125.A O no hydrogen 2.975 N/A LEU 130.A N GLY 126.A O no hydrogen 3.044 N/A GLU 131.A N MET 127.A O no hydrogen 2.974 N/A ASP 132.A N ASN 128.A O no hydrogen 3.047 N/A ARG 133.A N TYR 129.A O no hydrogen 3.026 N/A ARG 134.A N GLU 131.A O no hydrogen 2.845 N/A LEU 135.A N LEU 130.A O no hydrogen 2.784 N/A VAL 136.A N LYS 162.A O no hydrogen 2.794 N/A HIS 137.A N ASP 184.A OD1 no hydrogen 2.974 N/A HIS 137.A NE2 THR 156.A O no hydrogen 2.810 N/A ARG 138.A N ASP 184.A OD2 no hydrogen 3.224 N/A ARG 138.A NH1 ARG 160.A O no hydrogen 2.766 N/A ASP 139.A N HIS 137.A ND1 no hydrogen 3.144 N/A ALA 142.A N GLU 194.A OE2 no hydrogen 3.034 N/A ARG 143.A NH1 ASP 139.A OD1 no hydrogen 3.233 N/A ARG 143.A NH1 ASP 139.A OD2 no hydrogen 2.937 N/A ARG 143.A NH2 ASP 139.A OD2 no hydrogen 3.026 N/A ASN 144.A N ALA 141.A O no hydrogen 2.967 N/A ASN 144.A ND2 ASP 139.A O no hydrogen 2.763 N/A VAL 145.A N ALA 142.A O no hydrogen 3.384 N/A LEU 146.A N LYS 154.A O no hydrogen 2.767 N/A VAL 147.A N GLY 98.A O no hydrogen 2.814 N/A LYS 148.A N HIS 152.A O no hydrogen 2.874 N/A LYS 148.A NZ ASP 295.A OD2 no hydrogen 3.390 N/A LYS 148.A NZ ASP 297.A OD2 no hydrogen 2.775 N/A THR 149.A N HIS 152.A O no hydrogen 3.393 N/A THR 149.A OG1 GLN 151.A OE1 no hydrogen 3.430 N/A GLN 151.A N THR 149.A OG1 no hydrogen 3.254 N/A GLN 151.A NE2 PRO 278.A O no hydrogen 3.472 N/A HIS 152.A N THR 149.A O no hydrogen 2.840 N/A HIS 152.A NE2 PRO 74.A O no hydrogen 2.686 N/A VAL 153.A N GLN 122.A OE1 no hydrogen 2.881 N/A LYS 154.A N LEU 146.A O no hydrogen 2.952 N/A LYS 154.A NZ GLN 93.A OE1 no hydrogen 2.814 N/A LYS 154.A NZ ASP 297.A OD2 no hydrogen 2.946 N/A ILE 155.A N HIS 75.A O no hydrogen 3.084 N/A THR 156.A N ASN 144.A O no hydrogen 2.851 N/A ASP 157.A N THR 156.A OG1 no hydrogen 2.814 N/A ARG 160.A NE ARG 138.A O no hydrogen 2.888 N/A ARG 160.A NH2 ARG 138.A O no hydrogen 2.959 N/A ARG 160.A NH2 TYR 179.A OH no hydrogen 3.194 N/A ALA 161.A N PHE 158.A O no hydrogen 3.128 N/A LYS 162.A N VAL 136.A O no hydrogen 2.964 N/A LYS 162.A NZ ALA 161.A O no hydrogen 3.252 N/A ILE 166.A N VAL 164.A O no hydrogen 2.956 N/A LYS 167.A NZ TYR 203.A O no hydrogen 3.164 N/A LYS 167.A NZ ILE 206.A O no hydrogen 2.733 N/A TRP 168.A N PRO 165.A O no hydrogen 3.127 N/A TRP 168.A NE1 GLU 194.A OE2 no hydrogen 2.816 N/A MET 169.A N ILE 166.A O no hydrogen 3.035 N/A GLU 172.A N GLU 172.A OE2 no hydrogen 2.864 N/A SER 173.A N ALA 170.A O no hydrogen 3.160 N/A SER 173.A OG ILE 178.A O no hydrogen 2.679 N/A ILE 174.A N ALA 170.A O no hydrogen 3.150 N/A LEU 175.A N LEU 171.A O no hydrogen 2.934 N/A HIS 176.A N GLU 172.A O no hydrogen 2.813 N/A ARG 177.A N SER 173.A O no hydrogen 2.863 N/A ILE 178.A N GLU 172.A O no hydrogen 3.383 N/A THR 180.A N SER 183.A OG no hydrogen 2.787 N/A GLN 182.A NE2 ALA 243.A O no hydrogen 2.937 N/A GLN 182.A NE2 ARG 246.A O no hydrogen 3.320 N/A GLN 182.A NE2 PRO 247.A O no hydrogen 3.214 N/A SER 183.A N THR 180.A O no hydrogen 3.338 N/A SER 183.A OG THR 180.A O no hydrogen 2.726 N/A ASP 184.A N THR 180.A O no hydrogen 3.323 N/A VAL 185.A N HIS 181.A O no hydrogen 3.115 N/A SER 187.A N SER 183.A O no hydrogen 3.391 N/A SER 187.A OG TRP 168.A O no hydrogen 2.689 N/A SER 187.A OG SER 183.A O no hydrogen 3.400 N/A TYR 188.A N ASP 184.A O no hydrogen 2.836 N/A TYR 188.A OH CYS 120.A O no hydrogen 2.592 N/A GLY 189.A N VAL 185.A O no hydrogen 2.981 N/A VAL 190.A N TRP 186.A O no hydrogen 3.160 N/A THR 191.A N SER 187.A O no hydrogen 2.952 N/A THR 191.A OG1 SER 187.A O no hydrogen 2.730 N/A VAL 192.A N TYR 188.A O no hydrogen 2.957 N/A TRP 193.A N GLY 189.A O no hydrogen 3.032 N/A TRP 193.A NE1 PRO 222.A O no hydrogen 2.826 N/A GLU 194.A N VAL 190.A O no hydrogen 2.952 N/A LEU 195.A N THR 191.A O no hydrogen 3.092 N/A MET 196.A N VAL 192.A O no hydrogen 2.841 N/A THR 197.A N TRP 193.A O no hydrogen 3.016 N/A THR 197.A OG1 TRP 193.A O no hydrogen 2.725 N/A THR 197.A OG1 GLU 194.A O no hydrogen 3.380 N/A PHE 198.A N LEU 195.A O no hydrogen 3.038 N/A GLY 199.A N GLU 194.A O no hydrogen 2.764 N/A SER 200.A N THR 197.A OG1 no hydrogen 3.376 N/A SER 200.A OG THR 197.A O no hydrogen 3.346 N/A ILE 206.A N TYR 203.A O no hydrogen 3.139 N/A GLU 210.A N PRO 207.A O no hydrogen 2.859 N/A ILE 211.A N ALA 208.A O no hydrogen 3.377 N/A ILE 214.A N GLU 210.A O no hydrogen 3.151 N/A LEU 215.A N ILE 211.A O no hydrogen 2.855 N/A GLU 216.A N SER 212.A O no hydrogen 3.115 N/A LYS 217.A N SER 213.A O no hydrogen 3.327 N/A GLY 218.A N LEU 215.A O no hydrogen 3.076 N/A GLU 219.A N ILE 214.A O no hydrogen 3.106 N/A ARG 220.A NE TRP 239.A O no hydrogen 2.862 N/A ARG 220.A NH1 LEU 215.A O no hydrogen 2.819 N/A ARG 220.A NH1 GLU 219.A O no hydrogen 3.105 N/A ARG 220.A NH2 TRP 239.A O no hydrogen 2.917 N/A GLN 223.A NE2 CYS 227.A O no hydrogen 3.011 N/A CYS 227.A N PRO 224.A O no hydrogen 3.008 N/A THR 228.A N TYR 266.A O no hydrogen 3.397 N/A THR 228.A OG1 TYR 266.A O no hydrogen 2.731 N/A VAL 231.A N THR 228.A O no hydrogen 3.244 N/A TYR 232.A N THR 228.A O no hydrogen 3.170 N/A TYR 232.A OH LEU 221.A O no hydrogen 2.689 N/A MET 233.A N ILE 229.A O no hydrogen 2.781 N/A MET 235.A N VAL 231.A O no hydrogen 3.286 N/A VAL 236.A N TYR 232.A O no hydrogen 2.824 N/A LYS 237.A N MET 233.A O no hydrogen 3.006 N/A CYS 238.A N ILE 234.A O no hydrogen 3.238 N/A CYS 238.A N MET 235.A O no hydrogen 3.100 N/A CYS 238.A SG ILE 234.A O no hydrogen 3.477 N/A TRP 239.A N VAL 236.A O no hydrogen 2.890 N/A SER 245.A N ASP 242.A O no hydrogen 3.115 N/A SER 245.A OG ASP 242.A OD2 no hydrogen 2.714 N/A ARG 246.A N ALA 243.A O no hydrogen 3.272 N/A ARG 246.A NE MET 240.A O no hydrogen 2.789 N/A ARG 246.A NH1 GLU 172.A OE2 no hydrogen 2.784 N/A ARG 246.A NH1 MET 240.A O no hydrogen 2.857 N/A ARG 246.A NH2 GLU 172.A OE1 no hydrogen 3.443 N/A ARG 246.A NH2 GLU 172.A OE2 no hydrogen 3.540 N/A ARG 246.A NH2 GLN 182.A O no hydrogen 2.856 N/A LYS 248.A N GLU 251.A OE1 no hydrogen 2.884 N/A LYS 248.A NZ ASP 244.A O no hydrogen 3.238 N/A LYS 248.A NZ ARG 246.A O no hydrogen 2.933 N/A GLU 251.A N LYS 248.A O no hydrogen 3.004 N/A LEU 252.A N LYS 248.A O no hydrogen 3.145 N/A ILE 253.A N PHE 249.A O no hydrogen 3.019 N/A ILE 254.A N ARG 250.A O no hydrogen 3.408 N/A GLU 255.A N GLU 251.A O no hydrogen 2.813 N/A PHE 256.A N LEU 252.A O no hydrogen 2.917 N/A SER 257.A N ILE 253.A O no hydrogen 2.960 N/A SER 257.A OG ILE 253.A O no hydrogen 2.691 N/A LYS 258.A N ILE 254.A O no hydrogen 3.019 N/A LYS 258.A NZ GLU 255.A OE1 no hydrogen 3.244 N/A MET 259.A N GLU 255.A O no hydrogen 3.429 N/A ALA 260.A N PHE 256.A O no hydrogen 2.858 N/A ARG 261.A N LYS 258.A O no hydrogen 3.369 N/A ASP 262.A N MET 259.A O no hydrogen 3.145 N/A GLN 264.A NE2 GLU 273.A OE1 no hydrogen 2.755 N/A ARG 265.A N ASP 262.A O no hydrogen 3.256 N/A TYR 266.A N PRO 263.A O no hydrogen 3.145 N/A LEU 267.A N PRO 263.A O no hydrogen 3.044 N/A VAL 268.A N ILE 226.A O no hydrogen 2.831 N/A ASP 272.A N ILE 269.A O no hydrogen 3.427 N/A ARG 274.A N GLY 271.A O no hydrogen 3.277 N/A SER 279.A OG HIS 276.A NE2 no hydrogen 3.340 N/A SER 279.A OG LEU 277.A O no hydrogen 3.415 N/A VAL 294.A N LYS 43.A O no hydrogen 2.975 N/A ASP 297.A N ASP 295.A OD2 no hydrogen 2.930 N/A GLU 298.A N ASP 295.A O no hydrogen 2.973 N/A TYR 299.A N ALA 296.A O no hydrogen 3.145 N/A TYR 299.A OH GLU 40.A OE2 no hydrogen 2.865 N/A