Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4cas_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 4.A N ASP 2.A OD1 no hydrogen 2.930 N/A THR 5.A N ASP 2.A O no hydrogen 3.077 N/A THR 5.A OG1 ASP 2.A O no hydrogen 2.609 N/A ILE 6.A N TYR 3.A O no hydrogen 3.097 N/A TYR 7.A N TYR 3.A O no hydrogen 3.125 N/A THR 8.A N LYS 40.A O no hydrogen 2.854 N/A GLN 9.A N GLN 4.A OE1 no hydrogen 3.411 N/A GLN 9.A NE2 GLN 4.A OE1 no hydrogen 2.962 N/A GLN 11.A NE2 TYR 36.A O no hydrogen 2.842 N/A ARG 13.A NH1 GLN 11.A OE1 no hydrogen 3.270 N/A ARG 13.A NH1 ALA 12.A O no hydrogen 3.050 N/A ARG 13.A NH2 GLN 11.A OE1 no hydrogen 2.935 N/A SER 20.A OG GLY 21.A O no hydrogen 3.271 N/A SER 20.A OG ASP 25.A OD2 no hydrogen 2.469 N/A GLY 21.A N ASP 25.A OD1 no hydrogen 2.961 N/A GLU 22.A N ALA 137.A O no hydrogen 2.856 N/A ASP 27.A N GLY 24.A O no hydrogen 2.885 N/A ARG 28.A NH1 VAL 19.A O no hydrogen 3.381 N/A ARG 28.A NH2 VAL 19.A O no hydrogen 3.176 N/A VAL 29.A N ILE 49.A O no hydrogen 2.727 N/A PHE 33.A N ILE 46.A O no hydrogen 3.165 N/A SER 35.A N ALA 44.A O no hydrogen 3.091 N/A LEU 38.A N SER 35.A OG no hydrogen 3.300 N/A GLY 39.A N SER 35.A O no hydrogen 2.917 N/A LYS 40.A N TRP 37.A O no hydrogen 3.146 N/A LYS 40.A NZ TYR 36.A OH no hydrogen 3.073 N/A ILE 41.A N LEU 38.A O no hydrogen 3.076 N/A GLN 45.A N ASP 43.A OD1 no hydrogen 2.851 N/A GLN 45.A NE2 GLY 47.A O no hydrogen 2.826 N/A ILE 46.A N PHE 33.A O no hydrogen 2.880 N/A ILE 49.A N VAL 29.A O no hydrogen 2.895 N/A LEU 51.A N ASP 27.A O no hydrogen 2.831 N/A ILE 56.A N GLY 52.A O no hydrogen 3.087 N/A ALA 57.A N ALA 53.A O no hydrogen 2.862 N/A ALA 58.A N SER 54.A O no hydrogen 2.902 N/A PHE 59.A N GLY 55.A O no hydrogen 3.116 N/A ALA 60.A N ILE 56.A O no hydrogen 2.948 N/A PHE 61.A N ALA 57.A O no hydrogen 2.866 N/A GLY 62.A N ALA 58.A O no hydrogen 2.763 N/A SER 63.A N PHE 59.A O no hydrogen 2.881 N/A SER 63.A OG PHE 59.A O no hydrogen 2.600 N/A THR 64.A N ALA 60.A O no hydrogen 3.134 N/A THR 64.A OG1 ALA 60.A O no hydrogen 2.702 N/A ALA 65.A N PHE 61.A O no hydrogen 3.146 N/A ILE 66.A N GLY 62.A O no hydrogen 2.975 N/A LEU 67.A N SER 63.A O no hydrogen 2.836 N/A ILE 68.A N THR 64.A O no hydrogen 3.011 N/A ILE 69.A N ALA 65.A O no hydrogen 2.973 N/A LEU 70.A N ILE 66.A O no hydrogen 2.852 N/A PHE 71.A N LEU 67.A O no hydrogen 3.012 N/A ASN 72.A N ILE 68.A O no hydrogen 3.192 N/A ASN 72.A ND2 ILE 68.A O no hydrogen 2.821 N/A MET 73.A N ILE 69.A O no hydrogen 2.922 N/A ALA 74.A N LEU 70.A O no hydrogen 2.918 N/A ALA 75.A N PHE 71.A O no hydrogen 3.036 N/A GLU 76.A N ASN 72.A O no hydrogen 3.205 N/A VAL 77.A N ALA 74.A O no hydrogen 3.107 N/A HIS 78.A N ALA 75.A O no hydrogen 2.794 N/A PHE 79.A N ALA 74.A O no hydrogen 2.833 N/A ASP 80.A N VAL 77.A O no hydrogen 3.143 N/A GLN 83.A N ASP 80.A OD1 no hydrogen 3.018 N/A PHE 84.A N ASP 80.A O no hydrogen 2.924 N/A PHE 85.A N PRO 81.A O no hydrogen 3.060 N/A ARG 86.A N LEU 82.A O no hydrogen 2.916 N/A ARG 86.A NH1 GLN 83.A OE1 no hydrogen 2.958 N/A GLN 87.A N GLN 83.A O no hydrogen 2.704 N/A GLN 87.A NE2 GLN 83.A OE1 no hydrogen 2.844 N/A TRP 90.A N GLN 87.A O no hydrogen 2.723 N/A LEU 91.A N PHE 88.A O no hydrogen 3.169 N/A GLY 92.A N GLU 76.A OE1 no hydrogen 2.896 N/A LEU 93.A N PHE 175.A O no hydrogen 2.783 N/A LYS 97.A N ASP 109.A OD1 no hydrogen 2.778 N/A ALA 98.A N ASP 109.A OD2 no hydrogen 3.259 N/A TYR 100.A OH ASP 109.A OD2 no hydrogen 2.414 N/A GLY 101.A N GLN 99.A OE1 no hydrogen 2.867 N/A GLY 103.A N TYR 100.A O no hydrogen 3.131 N/A ASP 109.A N PRO 106.A O no hydrogen 2.922 N/A GLY 111.A N PRO 106.A O no hydrogen 2.777 N/A TRP 113.A NE1 VAL 173.A O no hydrogen 2.780 N/A LEU 114.A N GLY 110.A O no hydrogen 2.967 N/A MET 115.A N GLY 111.A O no hydrogen 3.052 N/A ALA 116.A N TRP 112.A O no hydrogen 2.871 N/A GLY 117.A N TRP 113.A O no hydrogen 2.982 N/A LEU 118.A N LEU 114.A O no hydrogen 2.948 N/A PHE 119.A N MET 115.A O no hydrogen 3.117 N/A MET 120.A N ALA 116.A O no hydrogen 2.879 N/A THR 121.A N GLY 117.A O no hydrogen 2.953 N/A THR 121.A OG1 GLY 117.A O no hydrogen 2.902 N/A LEU 122.A N LEU 118.A O no hydrogen 3.041 N/A SER 123.A N PHE 119.A O no hydrogen 2.924 N/A SER 123.A OG ALA 58.A O no hydrogen 2.727 N/A LEU 124.A N MET 120.A O no hydrogen 2.896 N/A GLY 125.A N THR 121.A O no hydrogen 3.042 N/A SER 126.A N LEU 122.A O no hydrogen 2.989 N/A SER 126.A OG LEU 122.A O no hydrogen 2.908 N/A TRP 127.A N SER 123.A O no hydrogen 2.959 N/A TRP 128.A N LEU 124.A O no hydrogen 2.941 N/A TRP 128.A NE1 ALA 145.A O no hydrogen 2.835 N/A ILE 129.A N GLY 125.A O no hydrogen 3.160 N/A ARG 130.A N SER 126.A O no hydrogen 3.221 N/A ARG 130.A NH1 TYR 50.A O no hydrogen 3.036 N/A ARG 130.A NH1 LEU 51.A O no hydrogen 2.754 N/A ARG 130.A NH2 TYR 50.A O no hydrogen 2.794 N/A VAL 131.A N TRP 127.A O no hydrogen 2.950 N/A TYR 132.A N TRP 128.A O no hydrogen 2.817 N/A SER 133.A N ILE 129.A O no hydrogen 2.681 N/A SER 133.A OG ILE 129.A O no hydrogen 2.853 N/A SER 133.A OG ARG 130.A O no hydrogen 3.374 N/A ARG 134.A N ARG 130.A O no hydrogen 2.946 N/A ARG 134.A NH2 TRP 23.A O no hydrogen 3.070 N/A ARG 136.A N TYR 132.A O no hydrogen 3.254 N/A ARG 136.A NH2 LEU 140.A O no hydrogen 2.872 N/A ALA 137.A N SER 133.A O no hydrogen 2.755 N/A LEU 138.A N ARG 134.A O no hydrogen 3.104 N/A LEU 138.A N ALA 135.A O no hydrogen 3.175 N/A GLY 139.A N ARG 136.A O no hydrogen 3.178 N/A LEU 140.A N ALA 135.A O no hydrogen 2.808 N/A TRP 146.A N THR 142.A O no hydrogen 3.172 N/A ASN 147.A N HIS 143.A O no hydrogen 3.254 N/A PHE 148.A N ILE 144.A O no hydrogen 2.870 N/A ALA 149.A N ALA 145.A O no hydrogen 2.802 N/A ALA 150.A N TRP 146.A O no hydrogen 3.403 N/A ALA 151.A N ASN 147.A O no hydrogen 3.322 N/A ILE 152.A N PHE 148.A O no hydrogen 2.924 N/A PHE 153.A N ALA 149.A O no hydrogen 2.806 N/A PHE 154.A N ALA 150.A O no hydrogen 2.933 N/A VAL 155.A N ALA 151.A O no hydrogen 3.116 N/A LEU 156.A N ILE 152.A O no hydrogen 3.031 N/A CYS 157.A N PHE 153.A O no hydrogen 2.963 N/A CYS 157.A SG PHE 153.A O no hydrogen 3.323 N/A ILE 158.A N PHE 154.A O no hydrogen 3.203 N/A GLY 159.A N VAL 155.A O no hydrogen 2.911 N/A CYS 160.A N LEU 156.A O no hydrogen 2.931 N/A CYS 160.A SG LEU 156.A O no hydrogen 3.451 N/A ILE 161.A N LEU 156.A O no hydrogen 2.856 N/A HIS 162.A N CYS 157.A O no hydrogen 2.894 N/A HIS 162.A NE2 GLU 171.A OE1 no hydrogen 2.781 N/A THR 164.A N CYS 160.A O no hydrogen 2.995 N/A THR 164.A OG1 CYS 160.A O no hydrogen 2.628 N/A LEU 165.A N ILE 161.A O no hydrogen 2.830 N/A VAL 166.A N HIS 162.A O no hydrogen 2.977 N/A SER 168.A N PRO 163.A O no hydrogen 2.793 N/A SER 168.A OG GLN 99.A OE1 no hydrogen 2.726 N/A SER 168.A OG SER 170.A OG no hydrogen 2.719 N/A TRP 169.A N GLY 101.A O no hydrogen 3.418 N/A SER 170.A N SER 168.A OG no hydrogen 3.273 N/A SER 170.A OG SER 168.A OG no hydrogen 2.719 N/A GLU 171.A N SER 168.A O no hydrogen 3.449 N/A GLY 172.A N TRP 169.A O no hydrogen 3.408 N/A PHE 175.A N LEU 93.A O no hydrogen 2.948 N/A TRP 178.A N PHE 89.A O no hydrogen 2.943 N/A HIS 180.A N GLY 176.A O no hydrogen 3.112 N/A HIS 180.A ND1 GLY 176.A O no hydrogen 2.769 N/A HIS 180.A ND1 ILE 177.A O no hydrogen 2.728 N/A ASP 182.A N TRP 178.A O no hydrogen 2.718 N/A TRP 183.A N PRO 179.A O no hydrogen 3.222 N/A TRP 183.A NE1 GLU 171.A O no hydrogen 3.065 N/A LEU 184.A N ILE 181.A O no hydrogen 2.963 N/A THR 185.A N ASP 182.A O no hydrogen 3.189 N/A ALA 186.A N ASP 182.A O no hydrogen 3.210 N/A PHE 187.A N TRP 183.A O no hydrogen 2.817 N/A SER 188.A N LEU 184.A O no hydrogen 3.009 N/A ILE 189.A N THR 185.A O no hydrogen 2.797 N/A ARG 190.A N ALA 186.A O no hydrogen 2.977 N/A ARG 190.A NH1 ARG 190.A O no hydrogen 2.886 N/A ARG 190.A NH1 ASP 290.A OD1 no hydrogen 3.094 N/A ARG 190.A NH2 ASP 290.A OD1 no hydrogen 3.236 N/A TYR 191.A N PHE 187.A O no hydrogen 3.178 N/A TYR 191.A N SER 188.A O no hydrogen 3.278 N/A TYR 191.A OH HIS 162.A NE2 no hydrogen 3.422 N/A TYR 191.A OH GLU 171.A OE1 no hydrogen 2.638 N/A GLY 192.A N ILE 189.A O no hydrogen 3.242 N/A ASN 193.A N SER 188.A O no hydrogen 2.923 N/A PHE 194.A N SER 188.A OG no hydrogen 3.140 N/A TYR 195.A N ASN 193.A OD1 no hydrogen 3.122 N/A TYR 196.A N ASN 193.A O no hydrogen 2.955 N/A CYS 197.A N PHE 194.A O no hydrogen 3.026 N/A GLY 201.A N CYS 197.A O no hydrogen 3.230 N/A PHE 202.A N PRO 198.A O no hydrogen 2.798 N/A SER 203.A N TRP 199.A O no hydrogen 2.835 N/A SER 203.A OG VAL 274.A O no hydrogen 2.825 N/A ILE 204.A N HIS 200.A O no hydrogen 2.960 N/A GLY 205.A N GLY 201.A O no hydrogen 2.931 N/A PHE 206.A N PHE 202.A O no hydrogen 3.054 N/A ALA 207.A N SER 203.A O no hydrogen 2.824 N/A TYR 208.A N ILE 204.A O no hydrogen 2.727 N/A GLY 209.A N GLY 205.A O no hydrogen 2.754 N/A CYS 210.A N PHE 206.A O no hydrogen 2.837 N/A CYS 210.A N ALA 207.A O no hydrogen 3.267 N/A CYS 210.A SG PHE 206.A O no hydrogen 3.335 N/A GLY 211.A N ALA 207.A O no hydrogen 3.433 N/A LEU 212.A N TYR 208.A O no hydrogen 2.995 N/A LEU 213.A N GLY 209.A O no hydrogen 2.943 N/A PHE 214.A N CYS 210.A O no hydrogen 2.957 N/A ALA 215.A N GLY 211.A O no hydrogen 3.033 N/A ALA 216.A N LEU 212.A O no hydrogen 2.825 N/A HIS 217.A N LEU 213.A O no hydrogen 2.806 N/A GLY 218.A N PHE 214.A O no hydrogen 2.805 N/A ALA 219.A N ALA 215.A O no hydrogen 2.928 N/A THR 220.A N ALA 216.A O no hydrogen 2.883 N/A THR 220.A OG1 ALA 216.A O no hydrogen 2.653 N/A ILE 221.A N HIS 217.A O no hydrogen 2.970 N/A LEU 222.A N GLY 218.A O no hydrogen 3.048 N/A ALA 223.A N ALA 219.A O no hydrogen 2.828 N/A VAL 224.A N THR 220.A O no hydrogen 2.970 N/A VAL 224.A N ILE 221.A O no hydrogen 3.161 N/A ALA 225.A N LEU 222.A O no hydrogen 3.147 N/A PHE 227.A N VAL 224.A O no hydrogen 3.101 N/A GLY 228.A N ALA 225.A O no hydrogen 2.948 N/A GLY 229.A N VAL 224.A O no hydrogen 3.043 N/A ARG 231.A N GLY 228.A O no hydrogen 3.026 N/A GLN 235.A N ARG 231.A O no hydrogen 3.175 N/A ILE 236.A N GLU 232.A O no hydrogen 2.953 N/A THR 237.A N ILE 233.A O no hydrogen 3.245 N/A THR 237.A OG1 ILE 233.A O no hydrogen 3.467 N/A ARG 239.A NE GLU 244.A OE2 no hydrogen 2.937 N/A ARG 239.A NH2 GLU 244.A OE2 no hydrogen 3.365 N/A GLY 240.A N GLN 235.A OE1 no hydrogen 2.814 N/A VAL 243.A N GLY 240.A O no hydrogen 3.200 N/A GLU 244.A N GLY 240.A O no hydrogen 3.210 N/A ARG 245.A N THR 241.A O no hydrogen 2.922 N/A ARG 245.A NE THR 241.A OG1 no hydrogen 2.841 N/A ARG 245.A NH2 THR 241.A OG1 no hydrogen 3.367 N/A ALA 246.A N ALA 242.A O no hydrogen 3.096 N/A ALA 247.A N VAL 243.A O no hydrogen 3.037 N/A LEU 248.A N GLU 244.A O no hydrogen 2.969 N/A PHE 249.A N ARG 245.A O no hydrogen 2.802 N/A TRP 250.A N ALA 246.A O no hydrogen 3.350 N/A TRP 250.A NE1 THR 220.A OG1 no hydrogen 2.982 N/A ARG 251.A N ALA 247.A O no hydrogen 2.851 N/A ARG 251.A NH1 ASN 257.A OD1 no hydrogen 3.161 N/A TRP 252.A N LEU 248.A O no hydrogen 2.921 N/A THR 253.A N PHE 249.A O no hydrogen 3.189 N/A THR 253.A N TRP 250.A O no hydrogen 3.162 N/A THR 253.A OG1 PHE 249.A O no hydrogen 2.654 N/A ILE 254.A N TRP 250.A O no hydrogen 2.819 N/A GLY 255.A N ARG 251.A O no hydrogen 2.822 N/A ASN 257.A ND2 ALA 258.A O no hydrogen 2.927 N/A THR 259.A N SER 262.A OG no hydrogen 2.768 N/A THR 259.A OG1 SER 262.A OG no hydrogen 3.080 N/A SER 262.A N THR 259.A OG1 no hydrogen 2.920 N/A SER 262.A OG THR 259.A O no hydrogen 3.455 N/A SER 262.A OG THR 259.A OG1 no hydrogen 3.080 N/A VAL 263.A N THR 259.A O no hydrogen 2.990 N/A HIS 264.A N GLU 261.A O no hydrogen 3.122 N/A HIS 264.A ND1 ILE 260.A O no hydrogen 2.605 N/A ARG 265.A NH2 GLU 261.A OE2 no hydrogen 3.100 N/A TRP 266.A N SER 262.A O no hydrogen 2.964 N/A GLY 267.A N VAL 263.A O no hydrogen 3.046 N/A TRP 268.A N HIS 264.A O no hydrogen 2.890 N/A TRP 268.A NE1 HIS 143.A O no hydrogen 2.867 N/A PHE 269.A N ARG 265.A O no hydrogen 2.843 N/A PHE 270.A N TRP 266.A O no hydrogen 2.859 N/A SER 271.A N GLY 267.A O no hydrogen 2.996 N/A LEU 272.A N TRP 268.A O no hydrogen 2.956 N/A MET 273.A N PHE 269.A O no hydrogen 2.873 N/A VAL 274.A N PHE 270.A O no hydrogen 3.225 N/A VAL 274.A N SER 271.A O no hydrogen 3.138 N/A MET 275.A N LEU 272.A O no hydrogen 3.117 N/A VAL 276.A N LEU 272.A O no hydrogen 2.978 N/A SER 277.A N MET 273.A O no hydrogen 2.897 N/A SER 277.A OG MET 273.A O no hydrogen 2.751 N/A ALA 278.A N VAL 274.A O no hydrogen 3.241 N/A SER 279.A N MET 275.A O no hydrogen 2.978 N/A SER 279.A OG MET 275.A O no hydrogen 2.764 N/A VAL 280.A N VAL 276.A O no hydrogen 3.213 N/A GLY 281.A N SER 277.A O no hydrogen 3.068 N/A ILE 282.A N ALA 278.A O no hydrogen 2.966 N/A LEU 283.A N SER 279.A O no hydrogen 2.834 N/A LEU 284.A N VAL 280.A O no hydrogen 2.946 N/A THR 285.A N GLY 281.A O no hydrogen 2.963 N/A THR 285.A N ILE 282.A O no hydrogen 3.122 N/A THR 285.A OG1 GLY 281.A O no hydrogen 2.632 N/A GLY 286.A N VAL 289.A O no hydrogen 2.740 N/A THR 287.A OG1 LEU 283.A O no hydrogen 3.035 N/A PHE 288.A N LEU 284.A O no hydrogen 3.057 N/A VAL 289.A N LEU 284.A O no hydrogen 3.146 N/A TRP 292.A N TYR 191.A O no hydrogen 2.900 N/A TRP 292.A NE1 THR 285.A OG1 no hydrogen 3.102 N/A TYR 293.A N GLY 192.A O no hydrogen 2.941 N/A LEU 294.A N ASN 291.A OD1 no hydrogen 2.902 N/A TRP 295.A N ASN 291.A O no hydrogen 2.822 N/A CYS 296.A N TRP 292.A O no hydrogen 2.906 N/A CYS 296.A SG TYR 196.A O no hydrogen 3.262 N/A CYS 296.A SG TRP 292.A O no hydrogen 3.483 N/A VAL 297.A N TYR 293.A O no hydrogen 2.817 N/A LYS 298.A N LEU 294.A O no hydrogen 2.695 N/A HIS 299.A N TRP 295.A O no hydrogen 3.121 N/A GLY 300.A N VAL 297.A O no hydrogen 3.069 N/A ALA 301.A N CYS 296.A O no hydrogen 2.912 N/A TYR 305.A N ASP 304.A OD1 no hydrogen 2.914 N/A THR 312.A OG1 PRO 310.A O no hydrogen 3.221 N/A ALA 316.A N ASP 314.A OD1 no hydrogen 3.016 N/A SER 317.A N ASP 314.A O no hydrogen 3.103 N/A LEU 318.A N PRO 315.A O no hydrogen 3.075 N/A ALA 321.A N LEU 318.A O no hydrogen 3.262 N/A