Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4cas_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N GLU 6.A OE1 no hydrogen 2.861 N/A GLU 6.A N LEU 3.A O no hydrogen 2.947 N/A LYS 8.A NZ PHE 5.A O no hydrogen 2.849 N/A TYR 9.A N GLU 6.A O no hydrogen 3.012 N/A ARG 10.A N ARG 7.A O no hydrogen 2.964 N/A ARG 10.A NE GLU 6.A OE2 no hydrogen 2.932 N/A ARG 10.A NH2 GLU 6.A OE2 no hydrogen 3.021 N/A ARG 10.A NH2 GLY 27.A O no hydrogen 3.158 N/A VAL 11.A N TYR 9.A O no hydrogen 2.841 N/A ARG 12.A NE ASP 20.A OD2 no hydrogen 3.221 N/A ARG 12.A NH2 ASP 20.A OD1 no hydrogen 2.947 N/A GLY 13.A N ASP 23.A OD2 no hydrogen 2.767 N/A LEU 16.A N GLU 106.A OE2 no hydrogen 2.785 N/A ASP 23.A N ASP 20.A O no hydrogen 3.156 N/A PHE 24.A N PHE 22.A O no hydrogen 2.878 N/A VAL 26.A N TYR 29.A O no hydrogen 2.814 N/A TYR 29.A N VAL 26.A O no hydrogen 3.175 N/A VAL 31.A N PHE 24.A O no hydrogen 2.927 N/A GLY 32.A N PHE 22.A O no hydrogen 2.772 N/A VAL 36.A N GLY 32.A O no hydrogen 3.261 N/A SER 37.A N PHE 33.A O no hydrogen 3.082 N/A SER 37.A OG PHE 34.A O no hydrogen 3.134 N/A SER 37.A OG SER 99.A OG no hydrogen 2.819 N/A ALA 38.A N PHE 34.A O no hydrogen 2.889 N/A ILE 39.A N GLY 35.A O no hydrogen 3.032 N/A PHE 40.A N VAL 36.A O no hydrogen 2.974 N/A PHE 41.A N SER 37.A O no hydrogen 2.968 N/A ILE 42.A N ALA 38.A O no hydrogen 2.844 N/A PHE 43.A N ILE 39.A O no hydrogen 2.803 N/A LEU 44.A N PHE 40.A O no hydrogen 2.912 N/A GLY 45.A N PHE 41.A O no hydrogen 2.774 N/A VAL 46.A N ILE 42.A O no hydrogen 2.815 N/A SER 47.A N PHE 43.A O no hydrogen 2.981 N/A SER 47.A OG PHE 43.A O no hydrogen 2.655 N/A LEU 48.A N LEU 44.A O no hydrogen 3.118 N/A ILE 49.A N GLY 45.A O no hydrogen 3.057 N/A GLY 50.A N VAL 46.A O no hydrogen 3.028 N/A TYR 51.A N SER 47.A O no hydrogen 2.910 N/A ALA 52.A N LEU 48.A O no hydrogen 2.871 N/A ALA 53.A N ILE 49.A O no hydrogen 2.798 N/A SER 54.A N GLY 50.A O no hydrogen 3.085 N/A SER 54.A OG GLY 50.A O no hydrogen 3.540 N/A SER 54.A OG TYR 51.A O no hydrogen 2.648 N/A GLN 55.A N ALA 52.A O no hydrogen 3.219 N/A GLY 56.A N ALA 53.A O no hydrogen 3.098 N/A ASP 60.A N THR 58.A OG1 no hydrogen 3.015 N/A PHE 62.A N ASP 60.A OD1 no hydrogen 3.070 N/A ALA 63.A N ASP 60.A O no hydrogen 3.107 N/A ILE 64.A N ASP 60.A O no hydrogen 2.945 N/A SER 65.A OG ASN 67.A OD1 no hydrogen 2.522 N/A SER 65.A OG SER 152.A OG no hydrogen 2.611 N/A ILE 66.A N TYR 148.A O no hydrogen 2.842 N/A TYR 73.A N ASP 70.A O no hydrogen 3.343 N/A TYR 73.A OH GLU 82.A OE1.B no hydrogen 2.989 N/A GLY 74.A N LEU 71.A O no hydrogen 2.843 N/A GLY 76.A N TYR 73.A O no hydrogen 3.109 N/A ALA 78.A N GLN 87.A OE1 no hydrogen 3.303 N/A GLU 82.A N PRO 79.A O no hydrogen 2.837 N/A GLY 84.A N PRO 79.A O no hydrogen 2.840 N/A PHE 85.A N LEU 80.A O no hydrogen 2.911 N/A TRP 86.A NE1 PHE 146.A O no hydrogen 3.007 N/A GLN 87.A N GLY 83.A O no hydrogen 3.190 N/A GLN 87.A NE2 GLY 76.A O no hydrogen 2.907 N/A ALA 88.A N GLY 84.A O no hydrogen 3.110 N/A ILE 89.A N PHE 85.A O no hydrogen 2.964 N/A THR 90.A N TRP 86.A O no hydrogen 2.952 N/A THR 90.A OG1 TRP 86.A O no hydrogen 2.810 N/A THR 90.A OG1 TYR 148.A OH no hydrogen 2.608 N/A VAL 91.A N GLN 87.A O no hydrogen 3.298 N/A CYS 92.A N ALA 88.A O no hydrogen 3.095 N/A CYS 92.A SG ALA 88.A O no hydrogen 3.437 N/A ALA 93.A N ILE 89.A O no hydrogen 2.804 N/A LEU 94.A N THR 90.A O no hydrogen 3.040 N/A GLY 95.A N VAL 91.A O no hydrogen 3.089 N/A ALA 96.A N CYS 92.A O no hydrogen 2.884 N/A PHE 97.A N ALA 93.A O no hydrogen 2.916 N/A ILE 98.A N LEU 94.A O no hydrogen 2.976 N/A SER 99.A N GLY 95.A O no hydrogen 2.953 N/A SER 99.A OG SER 37.A OG no hydrogen 2.819 N/A SER 99.A OG GLY 95.A O no hydrogen 2.695 N/A TRP 100.A N ALA 96.A O no hydrogen 2.843 N/A MET 101.A N PHE 97.A O no hydrogen 2.947 N/A LEU 102.A N ILE 98.A O no hydrogen 3.044 N/A ARG 103.A N SER 99.A O no hydrogen 2.913 N/A ARG 103.A NE PHE 30.A O no hydrogen 3.027 N/A ARG 103.A NH2 PHE 30.A O no hydrogen 2.880 N/A GLU 104.A N TRP 100.A O no hydrogen 3.163 N/A VAL 105.A N MET 101.A O no hydrogen 3.148 N/A GLU 106.A N LEU 102.A O no hydrogen 3.035 N/A ILE 107.A N ARG 103.A O no hydrogen 2.939 N/A SER 108.A N GLU 104.A O no hydrogen 2.895 N/A SER 108.A OG GLU 104.A O no hydrogen 2.908 N/A ARG 109.A N VAL 105.A O no hydrogen 3.042 N/A ARG 109.A NE GLY 14.A O no hydrogen 2.693 N/A ARG 109.A NH2 THR 15.A O no hydrogen 3.529 N/A LYS 110.A N GLU 106.A O no hydrogen 3.045 N/A LYS 110.A NZ VAL 11.A O no hydrogen 2.957 N/A LYS 110.A NZ GLY 13.A O no hydrogen 2.891 N/A LYS 110.A NZ ASP 23.A OD1 no hydrogen 2.821 N/A LYS 110.A NZ ASP 23.A OD2 no hydrogen 3.515 N/A LEU 111.A N ILE 107.A O no hydrogen 3.110 N/A GLY 112.A N ARG 109.A O no hydrogen 3.016 N/A ILE 113.A N SER 108.A O no hydrogen 3.072 N/A LEU 119.A N TRP 115.A O no hydrogen 3.178 N/A ALA 120.A N HIS 116.A O no hydrogen 2.900 N/A PHE 121.A N VAL 117.A O no hydrogen 2.829 N/A CYS 122.A N PRO 118.A O no hydrogen 3.102 N/A CYS 122.A N LEU 119.A O no hydrogen 3.201 N/A CYS 122.A SG PRO 118.A O no hydrogen 3.597 N/A VAL 123.A N ALA 120.A O no hydrogen 3.144 N/A PHE 126.A N CYS 122.A O no hydrogen 2.891 N/A MET 127.A N VAL 123.A O no hydrogen 2.965 N/A PHE 128.A N PRO 124.A O no hydrogen 3.028 N/A CYS 129.A N ILE 125.A O no hydrogen 3.151 N/A CYS 129.A SG ILE 125.A O no hydrogen 3.308 N/A VAL 130.A N PHE 126.A O no hydrogen 2.979 N/A LEU 131.A N MET 127.A O no hydrogen 3.023 N/A GLN 132.A N PHE 128.A O no hydrogen 2.864 N/A GLN 132.A NE2 PHE 146.A O no hydrogen 2.897 N/A GLN 132.A NE2 TYR 148.A OH no hydrogen 3.240 N/A VAL 133.A N CYS 129.A O no hydrogen 2.812 N/A PHE 134.A N CYS 129.A O no hydrogen 2.802 N/A ARG 135.A N VAL 130.A O no hydrogen 3.006 N/A ARG 135.A NE SER 251.A O no hydrogen 2.956 N/A ARG 135.A NH2 SER 251.A O no hydrogen 2.934 N/A LEU 137.A N VAL 133.A O no hydrogen 3.035 N/A LEU 138.A N PHE 134.A O no hydrogen 3.106 N/A LEU 139.A N ARG 135.A O no hydrogen 2.956 N/A GLY 140.A N PRO 136.A O no hydrogen 2.689 N/A SER 141.A N PRO 136.A O no hydrogen 3.023 N/A SER 141.A OG.A LEU 71.A O no hydrogen 2.916 N/A SER 141.A OG.B LEU 71.A O no hydrogen 2.771 N/A SER 141.A OG.B GLY 74.A O no hydrogen 3.253 N/A TRP 142.A N GLY 74.A O no hydrogen 3.118 N/A TRP 142.A NE1 LEU 75.A O no hydrogen 3.072 N/A GLY 143.A N SER 141.A OG.B no hydrogen 3.381 N/A HIS 144.A N SER 141.A O no hydrogen 3.448 N/A ALA 145.A N TRP 142.A O no hydrogen 3.043 N/A PHE 146.A N GLN 132.A OE1 no hydrogen 2.827 N/A TYR 148.A N ILE 66.A O no hydrogen 2.806 N/A TYR 148.A OH THR 90.A OG1 no hydrogen 2.608 N/A SER 152.A OG SER 65.A OG no hydrogen 2.611 N/A HIS 153.A N GLY 149.A O no hydrogen 3.141 N/A HIS 153.A ND1 GLY 149.A O no hydrogen 2.837 N/A LEU 154.A N LEU 151.A O no hydrogen 3.163 N/A TRP 156.A N SER 152.A O no hydrogen 3.254 N/A VAL 157.A N HIS 153.A O no hydrogen 3.138 N/A ASN 158.A N LEU 154.A O no hydrogen 2.936 N/A ASN 159.A N ASP 155.A O no hydrogen 3.007 N/A ASN 159.A ND2 ASP 155.A O no hydrogen 3.084 N/A PHE 160.A N TRP 156.A O no hydrogen 2.899 N/A GLY 161.A N VAL 157.A O no hydrogen 3.022 N/A TYR 162.A N ASN 158.A O no hydrogen 3.169 N/A GLN 163.A N ASN 159.A O no hydrogen 2.812 N/A GLN 163.A N PHE 160.A O no hydrogen 3.124 N/A TYR 164.A N GLY 161.A O no hydrogen 2.980 N/A LEU 165.A N TYR 162.A O no hydrogen 2.981 N/A HIS 168.A N ASN 166.A OD1 no hydrogen 3.180 N/A TYR 169.A N ASN 166.A O no hydrogen 3.127 N/A ASN 170.A N TRP 167.A O no hydrogen 2.912 N/A ASN 170.A ND2 GLY 247.A O no hydrogen 2.899 N/A GLY 172.A N ASN 170.A OD1 no hydrogen 3.029 N/A HIS 173.A N ASN 170.A OD1 no hydrogen 3.491 N/A MET 174.A N ASN 170.A O no hydrogen 2.894 N/A SER 175.A N PRO 171.A O no hydrogen 3.202 N/A SER 176.A N GLY 172.A O no hydrogen 2.991 N/A SER 176.A OG ILE 240.A O no hydrogen 2.808 N/A VAL 177.A N HIS 173.A O no hydrogen 2.891 N/A SER 178.A N MET 174.A O no hydrogen 3.101 N/A SER 178.A OG MET 174.A O no hydrogen 2.754 N/A PHE 179.A N SER 175.A O no hydrogen 3.040 N/A LEU 180.A N SER 176.A O no hydrogen 2.986 N/A PHE 181.A N VAL 177.A O no hydrogen 2.872 N/A VAL 182.A N SER 178.A O no hydrogen 2.971 N/A ASN 183.A N PHE 179.A O no hydrogen 2.996 N/A ALA 184.A N LEU 180.A O no hydrogen 3.196 N/A MET 185.A N PHE 181.A O no hydrogen 2.950 N/A ALA 186.A N VAL 182.A O no hydrogen 2.853 N/A LEU 187.A N ASN 183.A O no hydrogen 2.931 N/A GLY 188.A N ALA 184.A O no hydrogen 3.270 N/A LEU 189.A N MET 185.A O no hydrogen 3.016 N/A HIS 190.A N ALA 186.A O no hydrogen 2.855 N/A GLY 191.A N LEU 187.A O no hydrogen 2.766 N/A GLY 192.A N GLY 188.A O no hydrogen 2.920 N/A LEU 193.A N LEU 189.A O no hydrogen 2.834 N/A ILE 194.A N HIS 190.A O no hydrogen 3.042 N/A LEU 195.A N GLY 191.A O no hydrogen 3.146 N/A SER 196.A N GLY 192.A O no hydrogen 2.886 N/A SER 196.A OG LEU 193.A O no hydrogen 2.584 N/A VAL 197.A N LEU 193.A O no hydrogen 3.105 N/A ALA 198.A N ILE 194.A O no hydrogen 3.189 N/A ASN 199.A N LEU 195.A O no hydrogen 2.828 N/A ASN 199.A ND2 LEU 195.A O no hydrogen 2.906 N/A ASP 204.A N GLY 201.A O no hydrogen 3.035 N/A LYS 207.A N VAL 197.A O no hydrogen 3.096 N/A LYS 207.A NZ LYS 205.A O no hydrogen 2.633 N/A THR 208.A OG1 GLU 210.A OE1 no hydrogen 3.402 N/A THR 208.A OG1 HIS 211.A ND1 no hydrogen 2.589 N/A GLU 210.A N GLU 210.A OE1 no hydrogen 2.848 N/A HIS 211.A N THR 208.A OG1 no hydrogen 3.114 N/A HIS 211.A ND1 THR 208.A OG1 no hydrogen 2.589 N/A GLU 212.A N THR 208.A O no hydrogen 3.137 N/A ASN 213.A N ALA 209.A O no hydrogen 3.333 N/A GLN 214.A N GLU 210.A O no hydrogen 3.002 N/A GLN 214.A NE2 GLN 214.A O no hydrogen 3.583 N/A GLN 214.A NE2 ASP 218.A OD1 no hydrogen 2.815 N/A TYR 215.A N HIS 211.A O no hydrogen 2.928 N/A ARG 217.A N ASN 213.A O no hydrogen 3.065 N/A ASP 218.A N GLN 214.A O no hydrogen 2.910 N/A VAL 219.A N TYR 215.A O no hydrogen 2.972 N/A VAL 220.A N PHE 216.A O no hydrogen 2.895 N/A SER 223.A OG ASN 213.A OD1 no hydrogen 2.631 N/A SER 228.A OG ILE 224.A O no hydrogen 3.460 N/A ILE 229.A N GLY 225.A O no hydrogen 3.070 N/A HIS 230.A N LEU 227.A O no hydrogen 2.904 N/A HIS 230.A ND1 ALA 226.A O no hydrogen 2.733 N/A ARG 231.A N LEU 227.A O no hydrogen 3.336 N/A LEU 232.A N SER 228.A O no hydrogen 2.857 N/A GLY 233.A N ILE 229.A O no hydrogen 2.943 N/A LEU 234.A N HIS 230.A O no hydrogen 3.237 N/A PHE 235.A N ARG 231.A O no hydrogen 3.025 N/A LEU 236.A N LEU 232.A O no hydrogen 2.819 N/A ALA 237.A N GLY 233.A O no hydrogen 3.008 N/A SER 238.A N LEU 234.A O no hydrogen 3.039 N/A SER 238.A OG LEU 234.A O no hydrogen 2.722 N/A ASN 239.A N PHE 235.A O no hydrogen 3.132 N/A ILE 240.A N ALA 237.A O no hydrogen 3.023 N/A PHE 241.A N SER 238.A O no hydrogen 3.150 N/A LEU 242.A N SER 238.A O no hydrogen 3.008 N/A THR 243.A N ASN 239.A O no hydrogen 3.248 N/A THR 243.A OG1 SER 175.A OG no hydrogen 2.930 N/A THR 243.A OG1 ASN 239.A O no hydrogen 2.500 N/A GLY 244.A N ILE 240.A O no hydrogen 3.233 N/A ALA 245.A N PHE 241.A O no hydrogen 2.889 N/A PHE 246.A N THR 243.A O no hydrogen 3.124 N/A THR 248.A N GLY 244.A O no hydrogen 3.161 N/A THR 248.A OG1 GLY 244.A O no hydrogen 3.327 N/A ILE 249.A N ALA 245.A O no hydrogen 3.003 N/A ALA 250.A N PHE 246.A O no hydrogen 3.019 N/A SER 251.A N THR 248.A O no hydrogen 3.260 N/A SER 251.A OG GLY 247.A O no hydrogen 2.875 N/A GLY 252.A N TRP 255.A O no hydrogen 2.654 N/A PHE 254.A N ALA 250.A O no hydrogen 3.015 N/A TRP 255.A NE1 GLY 258.A O no hydrogen 3.028 N/A TRP 259.A N TYR 164.A O no hydrogen 3.048 N/A TRP 259.A NE1 SER 251.A OG no hydrogen 2.913 N/A TRP 262.A N TRP 259.A O no hydrogen 2.996 N/A TRP 263.A N PRO 260.A O no hydrogen 3.116 N/A TRP 263.A NE1 TYR 169.A O no hydrogen 2.795 N/A GLY 264.A N GLU 261.A O no hydrogen 2.973 N/A TRP 265.A N TRP 262.A O no hydrogen 3.431 N/A TRP 266.A N TRP 263.A O no hydrogen 3.108 N/A LEU 267.A N TRP 263.A O no hydrogen 3.075 N/A ASP 268.A N GLY 264.A O no hydrogen 2.822 N/A ILE 269.A N TRP 266.A O no hydrogen 3.455 N/A TRP 272.A N ILE 269.A O no hydrogen 3.366 N/A TRP 272.A NE1 TRP 266.A O no hydrogen 2.934 N/A SER 273.A N PRO 270.A O no hydrogen 3.211 N/A SER 273.A OG LEU 267.A O no hydrogen 3.537 N/A SER 273.A OG ILE 269.A O no hydrogen 2.878 N/A