Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5cas_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASN 5.A ND2 TYR 65.A OH no hydrogen 2.989 N/A ASN 5.A ND2 SER 69.A OG no hydrogen 2.917 N/A ALA 7.A N ASN 5.A OD1 no hydrogen 3.211 N/A LEU 12.A N ILE 81.A O no hydrogen 2.805 N/A GLU 16.A N LYS 13.A O no hydrogen 3.062 N/A PHE 17.A N GLU 14.A O no hydrogen 3.323 N/A LYS 18.A N LEU 35.A O no hydrogen 3.016 N/A LYS 19.A NZ GLN 88.A OE1 no hydrogen 2.853 N/A ILE 20.A N LYS 33.A O no hydrogen 2.751 N/A LEU 23.A N VAL 31.A O no hydrogen 2.769 N/A GLY 24.A N VAL 31.A O no hydrogen 3.331 N/A SER 25.A OG GLY 29.A O no hydrogen 3.376 N/A GLY 26.A N GLY 29.A O no hydrogen 2.961 N/A THR 30.A N GLU 51.A O no hydrogen 3.051 N/A THR 30.A OG1 GLY 24.A O no hydrogen 3.428 N/A VAL 31.A N GLY 24.A O no hydrogen 2.829 N/A TYR 32.A N ILE 49.A O no hydrogen 2.808 N/A LYS 33.A N LYS 21.A O no hydrogen 2.768 N/A GLY 34.A N VAL 47.A O no hydrogen 2.825 N/A LEU 35.A N LYS 18.A O no hydrogen 3.034 N/A TRP 36.A N ILE 45.A O no hydrogen 2.843 N/A ILE 37.A N GLU 16.A O no hydrogen 2.748 N/A GLU 39.A N GLU 16.A OE1 no hydrogen 2.802 N/A GLU 41.A N PRO 38.A O no hydrogen 3.378 N/A LYS 42.A NZ ASP 289.A OD2 no hydrogen 3.259 N/A LYS 44.A N ASP 289.A O no hydrogen 2.839 N/A LYS 44.A NZ ASP 288.A O no hydrogen 3.229 N/A ILE 45.A N TRP 36.A O no hydrogen 2.792 N/A VAL 47.A N GLY 34.A O no hydrogen 3.000 N/A ALA 48.A N MET 91.A O no hydrogen 2.865 N/A ILE 49.A N TYR 32.A O no hydrogen 2.778 N/A LYS 50.A N LEU 89.A O no hydrogen 2.822 N/A LYS 50.A NZ GLU 63.A OE1 no hydrogen 2.832 N/A LYS 50.A NZ GLU 63.A OE2 no hydrogen 2.914 N/A GLU 51.A N THR 30.A O no hydrogen 2.810 N/A LEU 52.A N VAL 87.A O no hydrogen 3.313 N/A ASN 57.A N SER 53.A O no hydrogen 3.420 N/A ASN 57.A ND2 SER 53.A O no hydrogen 2.791 N/A LYS 58.A N PRO 54.A O no hydrogen 3.319 N/A LYS 58.A NZ ASP 62.A OD2 no hydrogen 2.786 N/A GLU 59.A N LYS 55.A O no hydrogen 3.262 N/A ILE 60.A N ALA 56.A O no hydrogen 3.096 N/A LEU 61.A N ASN 57.A O no hydrogen 3.157 N/A ASP 62.A N LYS 58.A O no hydrogen 2.987 N/A GLU 63.A N GLU 59.A O no hydrogen 3.175 N/A ALA 64.A N ILE 60.A O no hydrogen 2.876 N/A TYR 65.A N LEU 61.A O no hydrogen 2.839 N/A VAL 66.A N ASP 62.A O no hydrogen 3.297 N/A MET 67.A N GLU 63.A O no hydrogen 2.851 N/A ALA 68.A N ALA 64.A O no hydrogen 2.820 N/A SER 69.A N VAL 66.A O no hydrogen 2.919 N/A SER 69.A OG TYR 65.A O no hydrogen 2.611 N/A ASP 71.A N TYR 128.A OH no hydrogen 2.805 N/A HIS 74.A N ASN 72.A OD1 no hydrogen 2.946 N/A VAL 75.A N ASN 72.A O no hydrogen 3.194 N/A CYS 76.A N ILE 154.A O no hydrogen 2.988 N/A CYS 76.A SG ILE 154.A O no hydrogen 3.976 N/A LEU 78.A N MET 67.A O no hydrogen 2.902 N/A LEU 79.A N ILE 90.A O no hydrogen 2.837 N/A GLY 80.A N ILE 90.A O no hydrogen 3.309 N/A ILE 81.A N ARG 10.A O no hydrogen 2.930 N/A CYS 82.A N GLN 88.A O no hydrogen 2.866 N/A CYS 82.A SG LEU 12.A O no hydrogen 3.503 N/A CYS 82.A SG THR 84.A OG1 no hydrogen 3.748 N/A THR 84.A OG1 THR 86.A O no hydrogen 2.716 N/A THR 86.A OG1 GLU 51.A OE2 no hydrogen 2.925 N/A GLN 88.A N CYS 82.A O no hydrogen 2.975 N/A GLN 88.A NE2 THR 84.A OG1 no hydrogen 3.177 N/A LEU 89.A N LYS 50.A O no hydrogen 2.870 N/A ILE 90.A N GLY 80.A O no hydrogen 2.813 N/A MET 91.A N ALA 48.A O no hydrogen 2.860 N/A GLN 92.A NE2 ASP 292.A OD1 no hydrogen 3.330 N/A GLN 92.A NE2 ASP 294.A OD2 no hydrogen 3.136 N/A LEU 93.A N PRO 46.A O no hydrogen 3.372 N/A PHE 96.A N VAL 146.A O no hydrogen 3.120 N/A GLY 97.A N MET 94.A O no hydrogen 3.097 N/A LEU 99.A N VAL 144.A O no hydrogen 2.772 N/A LEU 100.A N ALA 141.A O no hydrogen 3.310 N/A TYR 102.A N CYS 98.A O no hydrogen 3.040 N/A VAL 103.A N LEU 99.A O no hydrogen 2.858 N/A ARG 104.A N LEU 100.A O no hydrogen 3.300 N/A ARG 104.A NE GLY 199.A O no hydrogen 2.803 N/A ARG 104.A NH2 GLY 199.A O no hydrogen 2.927 N/A GLU 105.A N ASP 101.A O no hydrogen 2.923 N/A HIS 106.A N TYR 102.A O no hydrogen 2.836 N/A LYS 107.A NZ ARG 104.A O no hydrogen 3.348 N/A ASN 109.A N HIS 106.A O no hydrogen 2.845 N/A ILE 110.A N LYS 107.A O no hydrogen 3.238 N/A SER 112.A N ASP 272.A OD1 no hydrogen 3.097 N/A SER 112.A OG ASP 272.A OD2 no hydrogen 2.631 N/A GLN 113.A NE2 GLN 113.A O no hydrogen 3.478 N/A GLN 113.A NE2 ASN 117.A OD1 no hydrogen 3.133 N/A GLN 113.A NE2 ALA 260.A O no hydrogen 2.886 N/A TYR 114.A OH GLN 150.A OE1 no hydrogen 2.831 N/A LEU 115.A N GLY 111.A O no hydrogen 3.352 N/A LEU 116.A N SER 112.A O no hydrogen 3.036 N/A ASN 117.A N GLN 113.A O no hydrogen 2.936 N/A TRP 118.A N TYR 114.A O no hydrogen 2.835 N/A TRP 118.A NE1 PRO 149.A O no hydrogen 2.776 N/A CYS 119.A N LEU 115.A O no hydrogen 3.138 N/A CYS 119.A SG LEU 115.A O no hydrogen 3.323 N/A VAL 120.A N LEU 116.A O no hydrogen 3.061 N/A GLN 121.A N ASN 117.A O no hydrogen 2.980 N/A GLN 121.A NE2 GLN 150.A O no hydrogen 2.814 N/A ILE 122.A N TRP 118.A O no hydrogen 2.914 N/A ALA 123.A N CYS 119.A O no hydrogen 2.987 N/A LYS 124.A N VAL 120.A O no hydrogen 2.857 N/A GLY 125.A N GLN 121.A O no hydrogen 2.960 N/A MET 126.A N ILE 122.A O no hydrogen 2.940 N/A ASN 127.A N ALA 123.A O no hydrogen 2.837 N/A TYR 128.A N LYS 124.A O no hydrogen 3.019 N/A LEU 129.A N GLY 125.A O no hydrogen 3.075 N/A GLU 130.A N MET 126.A O no hydrogen 2.893 N/A ASP 131.A N ASN 127.A O no hydrogen 2.950 N/A ARG 132.A N TYR 128.A O no hydrogen 3.001 N/A ARG 132.A NH1 SER 69.A O no hydrogen 2.632 N/A ARG 133.A N GLU 130.A O no hydrogen 2.926 N/A ARG 133.A NH1 GLU 2.A OE1 no hydrogen 3.065 N/A LEU 134.A N LEU 129.A O no hydrogen 2.801 N/A VAL 135.A N LYS 161.A O no hydrogen 2.788 N/A HIS 136.A N ASP 184.A OD1 no hydrogen 2.845 N/A HIS 136.A NE2 THR 155.A O no hydrogen 2.855 N/A ARG 137.A N ASP 184.A OD2 no hydrogen 3.088 N/A ARG 137.A NH1 ARG 159.A O no hydrogen 2.765 N/A ASP 138.A N HIS 136.A ND1 no hydrogen 3.057 N/A ALA 141.A N GLU 194.A OE2 no hydrogen 2.955 N/A ARG 142.A NH2 ASP 138.A OD2 no hydrogen 3.055 N/A ASN 143.A N ALA 140.A O no hydrogen 2.906 N/A ASN 143.A ND2 ASP 138.A O no hydrogen 2.758 N/A VAL 144.A N ALA 141.A O no hydrogen 3.285 N/A LEU 145.A N LYS 153.A O no hydrogen 2.769 N/A VAL 146.A N GLY 97.A O no hydrogen 2.793 N/A LYS 147.A N HIS 151.A O no hydrogen 2.936 N/A LYS 147.A NZ ASP 292.A OD2 no hydrogen 3.492 N/A LYS 147.A NZ ASP 294.A OD2 no hydrogen 2.769 N/A THR 148.A N HIS 151.A O no hydrogen 3.338 N/A GLN 150.A N THR 148.A OG1 no hydrogen 3.290 N/A GLN 150.A NE2 THR 148.A OG1 no hydrogen 3.395 N/A GLN 150.A NE2 PRO 278.A O no hydrogen 3.449 N/A HIS 151.A N THR 148.A O no hydrogen 2.835 N/A HIS 151.A NE2 PRO 73.A O no hydrogen 2.677 N/A VAL 152.A N GLN 121.A OE1 no hydrogen 2.845 N/A LYS 153.A N LEU 145.A O no hydrogen 2.957 N/A LYS 153.A NZ GLN 92.A OE1 no hydrogen 2.837 N/A LYS 153.A NZ ASP 294.A OD2 no hydrogen 2.840 N/A ILE 154.A N HIS 74.A O no hydrogen 2.987 N/A THR 155.A N ASN 143.A O no hydrogen 2.855 N/A ARG 159.A NE ARG 137.A O no hydrogen 2.859 N/A ARG 159.A NH2 ARG 137.A O no hydrogen 2.961 N/A ARG 159.A NH2 TYR 179.A OH no hydrogen 3.027 N/A ALA 160.A N PHE 157.A O no hydrogen 3.073 N/A LYS 161.A N VAL 135.A O no hydrogen 2.979 N/A ILE 166.A N VAL 164.A O no hydrogen 2.947 N/A LYS 167.A NZ TYR 203.A O no hydrogen 3.041 N/A LYS 167.A NZ ILE 206.A O no hydrogen 2.732 N/A TRP 168.A N PRO 165.A O no hydrogen 3.102 N/A TRP 168.A NE1 GLU 194.A OE2 no hydrogen 2.722 N/A MET 169.A N ILE 166.A O no hydrogen 3.052 N/A GLU 172.A N GLU 172.A OE2 no hydrogen 2.702 N/A SER 173.A N ALA 170.A O no hydrogen 3.076 N/A SER 173.A OG ILE 178.A O no hydrogen 2.683 N/A ILE 174.A N ALA 170.A O no hydrogen 3.218 N/A LEU 175.A N LEU 171.A O no hydrogen 3.029 N/A HIS 176.A N GLU 172.A O no hydrogen 2.849 N/A ARG 177.A N SER 173.A O no hydrogen 2.948 N/A ILE 178.A N GLU 172.A O no hydrogen 3.379 N/A THR 180.A N SER 183.A OG no hydrogen 2.805 N/A GLN 182.A NE2 ALA 243.A O no hydrogen 2.956 N/A GLN 182.A NE2 ARG 246.A O no hydrogen 3.414 N/A GLN 182.A NE2 PRO 247.A O no hydrogen 3.290 N/A SER 183.A N THR 180.A O no hydrogen 3.138 N/A SER 183.A OG THR 180.A O no hydrogen 2.713 N/A ASP 184.A N THR 180.A O no hydrogen 3.240 N/A VAL 185.A N HIS 181.A O no hydrogen 3.116 N/A SER 187.A N SER 183.A O no hydrogen 3.395 N/A SER 187.A OG TRP 168.A O no hydrogen 2.670 N/A SER 187.A OG SER 183.A O no hydrogen 3.489 N/A TYR 188.A N ASP 184.A O no hydrogen 2.827 N/A TYR 188.A OH CYS 119.A O no hydrogen 2.697 N/A GLY 189.A N VAL 185.A O no hydrogen 2.928 N/A VAL 190.A N TRP 186.A O no hydrogen 3.102 N/A THR 191.A N SER 187.A O no hydrogen 2.824 N/A THR 191.A OG1 SER 187.A O no hydrogen 2.795 N/A VAL 192.A N TYR 188.A O no hydrogen 2.903 N/A TRP 193.A N GLY 189.A O no hydrogen 3.014 N/A TRP 193.A NE1 PRO 222.A O no hydrogen 2.777 N/A GLU 194.A N VAL 190.A O no hydrogen 2.913 N/A LEU 195.A N THR 191.A O no hydrogen 3.013 N/A MET 196.A N VAL 192.A O no hydrogen 2.879 N/A THR 197.A N TRP 193.A O no hydrogen 3.047 N/A THR 197.A OG1 TRP 193.A O no hydrogen 2.800 N/A THR 197.A OG1 GLU 194.A O no hydrogen 3.189 N/A PHE 198.A N LEU 195.A O no hydrogen 3.031 N/A GLY 199.A N GLU 194.A O no hydrogen 2.743 N/A SER 200.A N THR 197.A OG1 no hydrogen 3.234 N/A SER 200.A OG THR 197.A O no hydrogen 3.443 N/A ILE 206.A N TYR 203.A O no hydrogen 3.109 N/A GLU 210.A N PRO 207.A O no hydrogen 2.871 N/A ILE 211.A N ALA 208.A O no hydrogen 3.343 N/A ILE 214.A N GLU 210.A O no hydrogen 3.154 N/A LEU 215.A N ILE 211.A O no hydrogen 2.888 N/A GLU 216.A N SER 212.A O no hydrogen 3.039 N/A LYS 217.A N SER 213.A O no hydrogen 3.171 N/A GLY 218.A N LEU 215.A O no hydrogen 3.021 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 2.920 N/A ARG 220.A NH1 LEU 215.A O no hydrogen 2.979 N/A ARG 220.A NH1 GLU 219.A O no hydrogen 2.991 N/A ARG 220.A NH2 TRP 239.A O no hydrogen 2.856 N/A GLN 223.A NE2 CYS 227.A O no hydrogen 3.103 N/A CYS 227.A N PRO 224.A O no hydrogen 3.024 N/A THR 228.A N TYR 266.A O no hydrogen 3.352 N/A THR 228.A OG1 TYR 266.A O no hydrogen 2.745 N/A TYR 232.A N THR 228.A O no hydrogen 3.134 N/A TYR 232.A OH LEU 221.A O no hydrogen 2.720 N/A MET 233.A N ILE 229.A O no hydrogen 2.824 N/A MET 235.A N VAL 231.A O no hydrogen 3.281 N/A VAL 236.A N TYR 232.A O no hydrogen 2.874 N/A LYS 237.A N MET 233.A O no hydrogen 2.950 N/A CYS 238.A N ILE 234.A O no hydrogen 3.215 N/A CYS 238.A SG ILE 234.A O no hydrogen 3.499 N/A TRP 239.A N VAL 236.A O no hydrogen 2.883 N/A MET 240.A N LYS 237.A O no hydrogen 3.447 N/A SER 245.A N ASP 242.A O no hydrogen 3.020 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 3.247 N/A ARG 246.A NE MET 240.A O no hydrogen 2.774 N/A ARG 246.A NH1 GLU 172.A OE2 no hydrogen 2.715 N/A ARG 246.A NH1 MET 240.A O no hydrogen 2.901 N/A ARG 246.A NH2 GLU 172.A OE1 no hydrogen 2.938 N/A ARG 246.A NH2 GLN 182.A O no hydrogen 3.008 N/A LYS 248.A N GLU 251.A OE1 no hydrogen 3.050 N/A GLU 251.A N LYS 248.A O no hydrogen 2.991 N/A LEU 252.A N LYS 248.A O no hydrogen 3.039 N/A ILE 253.A N PHE 249.A O no hydrogen 2.961 N/A ILE 254.A N ARG 250.A O no hydrogen 3.450 N/A GLU 255.A N GLU 251.A O no hydrogen 2.903 N/A PHE 256.A N LEU 252.A O no hydrogen 3.031 N/A SER 257.A N ILE 253.A O no hydrogen 2.953 N/A SER 257.A OG ILE 253.A O no hydrogen 2.714 N/A LYS 258.A N ILE 254.A O no hydrogen 2.998 N/A LYS 258.A NZ GLU 255.A OE1 no hydrogen 3.414 N/A MET 259.A N GLU 255.A O no hydrogen 3.239 N/A ALA 260.A N PHE 256.A O no hydrogen 2.857 N/A ARG 261.A N LYS 258.A O no hydrogen 3.306 N/A ASP 262.A N MET 259.A O no hydrogen 3.009 N/A ARG 265.A N ASP 262.A O no hydrogen 3.155 N/A TYR 266.A N PRO 263.A O no hydrogen 3.044 N/A LEU 267.A N PRO 263.A O no hydrogen 3.061 N/A VAL 268.A N ILE 226.A O no hydrogen 2.828 N/A ASP 272.A N ILE 269.A O no hydrogen 3.238 N/A ARG 274.A N GLY 271.A O no hydrogen 3.275 N/A HIS 276.A N ASN 109.A OD1 no hydrogen 3.384 N/A SER 279.A N ASP 282.A OD1 no hydrogen 3.365 N/A SER 279.A OG THR 281.A OG1 no hydrogen 3.364 N/A THR 281.A OG1 SER 279.A OG no hydrogen 3.364 N/A VAL 291.A N LYS 44.A O no hydrogen 2.920 N/A ASP 294.A N ASP 292.A OD2 no hydrogen 2.861 N/A GLU 295.A N ASP 292.A O no hydrogen 2.922 N/A TYR 296.A N ALA 293.A O no hydrogen 3.140 N/A TYR 296.A OH GLU 41.A OE1 no hydrogen 2.847 N/A