Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4cas_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N TYR 1.A O no hydrogen 3.467 N/A LEU 5.A N LEU 9.A O no hydrogen 2.735 N/A ASP 10.A N GLN 13.A OE1 no hydrogen 3.218 N/A ILE 11.A N GLY 3.A O no hydrogen 2.942 N/A GLN 13.A N ASP 10.A OD1 no hydrogen 2.994 N/A LEU 14.A N ASP 10.A O no hydrogen 3.251 N/A VAL 15.A N ILE 11.A O no hydrogen 3.038 N/A TRP 16.A N ALA 12.A O no hydrogen 3.103 N/A ALA 18.A N LEU 14.A O no hydrogen 3.282 N/A GLN 19.A N VAL 15.A O no hydrogen 2.817 N/A TRP 20.A N TRP 16.A O no hydrogen 3.164 N/A LEU 21.A N TYR 17.A O no hydrogen 3.008 N/A VAL 22.A N ALA 18.A O no hydrogen 2.966 N/A ILE 23.A N GLN 19.A O no hydrogen 3.059 N/A TRP 24.A N TRP 20.A O no hydrogen 3.097 N/A THR 25.A N LEU 21.A O no hydrogen 2.999 N/A THR 25.A OG1 LEU 21.A O no hydrogen 2.684 N/A VAL 26.A N VAL 22.A O no hydrogen 2.978 N/A VAL 27.A N ILE 23.A O no hydrogen 2.932 N/A LEU 28.A N TRP 24.A O no hydrogen 2.900 N/A LEU 29.A N THR 25.A O no hydrogen 2.807 N/A TYR 30.A N VAL 26.A O no hydrogen 3.098 N/A LEU 31.A N VAL 26.A O no hydrogen 2.851 N/A ARG 32.A N VAL 27.A O no hydrogen 2.899 N/A ARG 33.A N TYR 30.A O no hydrogen 2.994 N/A ARG 33.A NH1 LEU 29.A O no hydrogen 3.378 N/A GLU 34.A N TYR 30.A O no hydrogen 2.921 N/A ASP 35.A N LEU 31.A O no hydrogen 2.968 N/A ARG 36.A N ARG 33.A O no hydrogen 3.092 N/A ARG 37.A NE GLU 34.A OE1 no hydrogen 2.840 N/A ARG 37.A NH1 TYR 48.A O no hydrogen 3.278 N/A ARG 37.A NH2 GLU 34.A OE1 no hydrogen 3.556 N/A ARG 37.A NH2 GLU 34.A OE2 no hydrogen 2.831 N/A THR 51.A OG1 THR 61.A OG1 no hydrogen 2.766 N/A PHE 52.A N VAL 60.A O no hydrogen 2.758 N/A LEU 54.A N GLY 58.A O no hydrogen 2.995 N/A VAL 60.A N PHE 52.A O no hydrogen 3.003 N/A THR 61.A OG1 THR 51.A OG1 no hydrogen 2.766 N/A VAL 62.A N LYS 50.A O no hydrogen 2.986 N/A ALA 75.A N GLN 86.A O no hydrogen 2.627 N/A THR 77.A N PRO 84.A O no hydrogen 3.193 N/A THR 77.A OG1 PRO 84.A O no hydrogen 2.686 N/A GLY 79.A N ASP 78.A OD1 no hydrogen 2.711 N/A ALA 83.A N PHE 80.A O no hydrogen 3.052 N/A GLN 86.A N ALA 75.A O no hydrogen 2.617 N/A THR 88.A N LYS 73.A O no hydrogen 3.162 N/A LEU 92.A N ASN 90.A OD1 no hydrogen 3.216 N/A ASP 94.A N ASN 90.A O no hydrogen 2.878 N/A VAL 96.A N PRO 91.A O no hydrogen 3.196 N/A ALA 99.A N VAL 96.A O no hydrogen 3.055 N/A SER 100.A N GLY 97.A O no hydrogen 2.951 N/A SER 100.A OG GLY 97.A O no hydrogen 2.539 N/A ALA 102.A N ASP 220.A OD2 no hydrogen 2.968 N/A ARG 104.A N ALA 102.A O no hydrogen 2.839 N/A THR 111.A N LYS 115.A O no hydrogen 2.763 N/A THR 111.A OG1 ASP 113.A OD1 no hydrogen 2.586 N/A THR 111.A OG1 LYS 115.A O no hydrogen 3.463 N/A ASP 113.A N ASP 113.A OD1 no hydrogen 2.624 N/A GLY 114.A N THR 111.A O no hydrogen 2.951 N/A LYS 115.A N THR 111.A OG1 no hydrogen 2.964 N/A LYS 117.A N ASP 109.A O no hydrogen 2.798 N/A LYS 117.A NZ ASP 109.A OD2 no hydrogen 3.137 N/A VAL 119.A N VAL 157.A O no hydrogen 3.168 N/A LEU 121.A N LEU 155.A O no hydrogen 3.060 N/A ARG 122.A N ASP 154.A OD2 no hydrogen 3.158 N/A ARG 122.A NE ASP 212.A OD1 no hydrogen 2.939 N/A ARG 122.A NH1 GLU 168.A OE1 no hydrogen 3.038 N/A ARG 122.A NH2 GLU 168.A OE1 no hydrogen 3.114 N/A ARG 122.A NH2 ARG 211.A O no hydrogen 3.139 N/A ARG 122.A NH2 ASP 212.A OD1 no hydrogen 3.134 N/A VAL 123.A N PRO 120.A O no hydrogen 2.930 N/A ALA 124.A N PRO 120.A O no hydrogen 2.892 N/A THR 125.A N VAL 123.A O no hydrogen 2.899 N/A ASP 126.A N ASP 126.A OD1 no hydrogen 2.545 N/A PHE 127.A N ALA 124.A O no hydrogen 3.103 N/A ASP 133.A N ALA 130.A O no hydrogen 3.209 N/A ARG 137.A N ASP 135.A OD1 no hydrogen 3.076 N/A ARG 137.A NE ASP 135.A OD1 no hydrogen 3.042 N/A ARG 137.A NH2 ASP 135.A OD2 no hydrogen 2.917 N/A GLY 138.A N VAL 152.A O no hydrogen 2.847 N/A LEU 139.A N PRO 136.A O no hydrogen 2.939 N/A VAL 141.A N GLY 150.A O no hydrogen 2.901 N/A VAL 142.A N ILE 192.A O no hydrogen 2.892 N/A ALA 143.A N VAL 147.A O no hydrogen 3.005 N/A ALA 144.A N ILE 197.A O no hydrogen 2.953 N/A GLY 146.A N ALA 143.A O no hydrogen 2.959 N/A VAL 147.A N ASP 145.A OD1 no hydrogen 3.394 N/A ALA 149.A N VAL 141.A O no hydrogen 2.782 N/A THR 151.A N SER 170.A O no hydrogen 3.246 N/A VAL 152.A N LEU 139.A O no hydrogen 2.953 N/A THR 153.A N GLU 168.A O no hydrogen 2.721 N/A ASP 154.A N GLU 168.A O no hydrogen 3.216 N/A LEU 155.A N ASP 154.A OD1 no hydrogen 2.734 N/A TRP 156.A N TYR 166.A O no hydrogen 2.739 N/A TRP 156.A NE1 GLU 168.A OE1 no hydrogen 2.974 N/A VAL 157.A N VAL 119.A O no hydrogen 2.841 N/A ASP 158.A N TYR 163.A O no hydrogen 2.756 N/A ARG 159.A N LYS 117.A O no hydrogen 2.951 N/A SER 160.A N ASP 158.A OD1 no hydrogen 2.763 N/A GLU 161.A N ASP 158.A OD1 no hydrogen 3.016 N/A TYR 163.A N ASP 158.A O no hydrogen 3.373 N/A ARG 165.A N TRP 156.A O no hydrogen 2.961 N/A ARG 165.A NE ASP 158.A OD2 no hydrogen 3.010 N/A ARG 165.A NH2 ASP 158.A OD2 no hydrogen 3.216 N/A TYR 166.A N TRP 156.A O no hydrogen 3.417 N/A LEU 167.A N ILE 180.A O no hydrogen 2.894 N/A GLU 168.A N ASP 154.A O no hydrogen 2.819 N/A LEU 169.A N ALA 178.A O no hydrogen 2.903 N/A SER 170.A N THR 151.A O no hydrogen 2.985 N/A SER 170.A OG THR 151.A O no hydrogen 3.119 N/A VAL 171.A N ARG 176.A O no hydrogen 2.844 N/A ALA 172.A N ALA 149.A O no hydrogen 2.926 N/A SER 174.A N VAL 171.A O no hydrogen 3.309 N/A ARG 176.A NE THR 177.A O no hydrogen 3.322 N/A ARG 176.A NH1 ALA 203.A O no hydrogen 2.862 N/A ARG 176.A NH1 VAL 205.A O no hydrogen 2.803 N/A ARG 176.A NH2 THR 177.A O no hydrogen 3.311 N/A ARG 176.A NH2 VAL 205.A O no hydrogen 3.036 N/A THR 177.A OG1 GLU 168.A OE2 no hydrogen 2.752 N/A ALA 178.A N LEU 169.A O no hydrogen 2.858 N/A ILE 180.A N LEU 167.A O no hydrogen 2.837 N/A LEU 182.A N ARG 165.A O no hydrogen 3.002 N/A PHE 184.A N PRO 181.A O no hydrogen 2.871 N/A CYS 185.A N LEU 182.A O no hydrogen 3.046 N/A CYS 185.A SG PRO 181.A O no hydrogen 3.594 N/A ASP 186.A N VAL 193.A O no hydrogen 2.873 N/A LYS 188.A N LYS 191.A O no hydrogen 2.885 N/A ILE 192.A N PRO 140.A O no hydrogen 2.938 N/A VAL 193.A N ASP 186.A O no hydrogen 2.980 N/A VAL 194.A N VAL 142.A O no hydrogen 2.890 N/A LEU 198.A N GLN 201.A OE1 no hydrogen 2.796 N/A SER 199.A N ASP 145.A OD1 no hydrogen 3.280 N/A SER 199.A N ASP 145.A OD2 no hydrogen 3.422 N/A SER 199.A OG ASP 145.A OD1 no hydrogen 3.444 N/A SER 199.A OG ASP 145.A OD2 no hydrogen 2.822 N/A GLN 201.A N LEU 198.A O no hydrogen 3.019 N/A GLN 201.A NE2 ALA 233.A O no hydrogen 2.890 N/A PHE 202.A N SER 199.A O no hydrogen 3.310 N/A ALA 203.A N GLU 200.A O no hydrogen 3.283 N/A ASN 204.A N GLN 201.A O no hydrogen 3.418 N/A VAL 205.A N PHE 202.A O no hydrogen 3.374 N/A THR 215.A OG1 GLU 106.A OE1 no hydrogen 2.705 N/A LEU 216.A N VAL 107.A O no hydrogen 2.906 N/A ARG 217.A N ALA 105.A O no hydrogen 3.201 N/A ARG 217.A NE ARG 104.A O no hydrogen 2.765 N/A ARG 217.A NH2 ARG 104.A O no hydrogen 3.095 N/A GLU 218.A N THR 215.A OG1 no hydrogen 3.093 N/A GLU 219.A N THR 215.A O no hydrogen 2.976 N/A ASP 220.A N LEU 216.A O no hydrogen 3.180 N/A LYS 221.A N ARG 217.A O no hydrogen 2.856 N/A VAL 222.A N GLU 218.A O no hydrogen 2.864 N/A SER 223.A N GLU 219.A O no hydrogen 3.034 N/A SER 223.A OG GLU 219.A O no hydrogen 2.848 N/A ALA 224.A N ASP 220.A O no hydrogen 3.004 N/A TYR 225.A N LYS 221.A O no hydrogen 3.222 N/A TYR 225.A OH GLN 201.A O no hydrogen 2.585 N/A TYR 226.A OH LEU 179.A O no hydrogen 2.665 N/A ALA 227.A N SER 223.A O no hydrogen 3.347 N/A GLY 228.A N ALA 224.A O no hydrogen 2.826 N/A GLY 229.A N TYR 225.A O no hydrogen 3.302 N/A LEU 230.A N ALA 227.A O no hydrogen 3.017 N/A LEU 231.A N GLY 228.A O no hydrogen 3.157 N/A TYR 232.A N GLY 228.A O no hydrogen 2.769 N/A ALA 233.A N GLY 229.A O no hydrogen 2.748 N/A ARG 237.A N THR 234.A O no hydrogen 3.256 N/A ARG 237.A NH1 THR 195.A O no hydrogen 3.165 N/A ARG 237.A NH1 GLY 229.A O no hydrogen 3.082 N/A ARG 237.A NH2 THR 195.A O no hydrogen 2.964 N/A GLU 239.A N GLU 236.A O no hydrogen 3.206 N/A