Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3cs9_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 3.A N ASP 1.A OD1 no hydrogen 3.110 N/A GLU 4.A N ASP 1.A O no hydrogen 3.252 N/A MET 5.A N VAL 68.A O no hydrogen 3.093 N/A ARG 7.A NH1 PRO 74.A O no hydrogen 2.847 N/A ARG 7.A NH2 GLU 72.A OE2 no hydrogen 3.282 N/A ARG 7.A NH2 PRO 74.A O no hydrogen 3.214 N/A ASP 9.A N GLU 6.A O no hydrogen 2.608 N/A ILE 10.A N ARG 7.A O no hydrogen 3.159 N/A THR 11.A N VAL 28.A O no hydrogen 2.933 N/A LYS 13.A N GLU 26.A O no hydrogen 2.792 N/A LYS 15.A NZ GLU 23.A OE2 no hydrogen 2.841 N/A LEU 16.A N VAL 24.A O no hydrogen 2.935 N/A GLY 19.A N LEU 16.A O no hydrogen 2.856 N/A GLN 20.A N GLY 17.A O no hydrogen 3.245 N/A GLN 20.A NE2 GLY 17.A O no hydrogen 3.180 N/A GLY 22.A N GLY 19.A O no hydrogen 3.108 N/A VAL 24.A N GLY 22.A O no hydrogen 2.863 N/A TYR 25.A N VAL 38.A O no hydrogen 2.746 N/A TYR 25.A OH GLU 23.A OE1 no hydrogen 2.376 N/A GLU 26.A N HIS 14.A O no hydrogen 2.827 N/A GLY 27.A N VAL 36.A O no hydrogen 2.807 N/A VAL 28.A N THR 11.A O no hydrogen 2.929 N/A TRP 29.A N LEU 34.A O no hydrogen 2.705 N/A LYS 30.A N ASP 9.A O no hydrogen 2.974 N/A LYS 31.A NZ TYR 32.A OH no hydrogen 2.432 N/A TYR 32.A N TRP 29.A O no hydrogen 2.920 N/A SER 33.A N LYS 30.A O no hydrogen 2.873 N/A SER 33.A OG LYS 30.A O no hydrogen 3.488 N/A LEU 34.A N TRP 29.A O no hydrogen 3.202 N/A VAL 36.A N GLY 27.A O no hydrogen 2.911 N/A ALA 37.A N THR 79.A O no hydrogen 2.994 N/A VAL 38.A N TYR 25.A O no hydrogen 2.823 N/A LYS 39.A N ILE 77.A O no hydrogen 2.723 N/A LYS 39.A NZ GLU 50.A OE1 no hydrogen 2.959 N/A THR 40.A N GLU 23.A O no hydrogen 3.063 N/A LEU 41.A N PHE 75.A O no hydrogen 3.108 N/A PHE 47.A N GLU 43.A O no hydrogen 3.020 N/A LEU 48.A N VAL 44.A O no hydrogen 2.939 N/A LYS 49.A N GLU 45.A O no hydrogen 2.838 N/A GLU 50.A N GLU 46.A O no hydrogen 2.915 N/A ALA 51.A N PHE 47.A O no hydrogen 3.191 N/A ALA 52.A N LEU 48.A O no hydrogen 2.996 N/A VAL 53.A N LYS 49.A O no hydrogen 2.994 N/A MET 54.A N GLU 50.A O no hydrogen 2.978 N/A LYS 55.A N ALA 51.A O no hydrogen 3.193 N/A LYS 55.A NZ ASP 1.A OD2 no hydrogen 3.125 N/A GLU 56.A N VAL 53.A O no hydrogen 3.058 N/A LYS 58.A N TYR 117.A OH no hydrogen 3.005 N/A ASN 61.A N HIS 59.A ND1 no hydrogen 2.880 N/A ASN 61.A ND2 GLN 110.A OE1 no hydrogen 3.214 N/A ASN 61.A ND2 VAL 141.A O no hydrogen 2.867 N/A LEU 62.A N HIS 59.A O no hydrogen 3.049 N/A VAL 63.A N VAL 143.A O no hydrogen 2.938 N/A GLN 64.A N GLU 80.A OE2 no hydrogen 2.745 N/A GLN 64.A NE2 LEU 65.A O no hydrogen 3.178 N/A LEU 66.A N ILE 78.A O no hydrogen 2.899 N/A GLY 67.A N ILE 78.A O no hydrogen 3.224 N/A VAL 68.A N TRP 3.A O no hydrogen 3.037 N/A CYS 69.A N TYR 76.A O no hydrogen 2.885 N/A CYS 69.A SG MET 5.A O no hydrogen 3.640 N/A THR 70.A N GLU 4.A OE1 no hydrogen 3.108 N/A THR 70.A OG1 GLU 4.A OE2 no hydrogen 2.561 N/A TYR 76.A N CYS 69.A O no hydrogen 2.781 N/A ILE 77.A N LYS 39.A O no hydrogen 2.791 N/A ILE 78.A N GLY 67.A O no hydrogen 2.978 N/A THR 79.A N ALA 37.A O no hydrogen 2.901 N/A THR 79.A OG1 GLU 80.A O no hydrogen 2.918 N/A GLU 80.A N GLN 64.A O no hydrogen 2.953 N/A THR 83.A OG1 GLU 137.A OE2 no hydrogen 3.013 N/A TYR 84.A N VAL 135.A O no hydrogen 2.935 N/A TYR 84.A OH GLU 137.A OE1 no hydrogen 3.204 N/A GLY 85.A N MET 82.A O no hydrogen 3.110 N/A ASN 86.A ND2 TYR 21.A OH no hydrogen 2.836 N/A ASN 86.A ND2 ASP 89.A OD2 no hydrogen 2.751 N/A LEU 87.A N CYS 133.A O no hydrogen 2.906 N/A LEU 88.A N ALA 130.A O no hydrogen 3.309 N/A ASP 89.A N ASN 86.A OD1 no hydrogen 2.985 N/A TYR 90.A N ASN 86.A O no hydrogen 2.970 N/A LEU 91.A N LEU 87.A O no hydrogen 2.837 N/A ARG 92.A N LEU 88.A O no hydrogen 3.080 N/A ARG 92.A NE GLY 200.A O no hydrogen 2.679 N/A ARG 92.A NH2 GLY 200.A O no hydrogen 2.994 N/A GLU 93.A N ASP 89.A O no hydrogen 2.896 N/A GLU 93.A N TYR 90.A O no hydrogen 3.263 N/A CYS 94.A SG LEU 91.A O no hydrogen 3.398 N/A GLN 97.A N ASN 95.A OD1 no hydrogen 2.924 N/A GLU 98.A N ASN 95.A OD1 no hydrogen 3.422 N/A VAL 99.A N ASN 95.A O no hydrogen 2.771 N/A VAL 103.A N ASN 100.A OD1 no hydrogen 3.085 N/A LEU 104.A N ASN 100.A O no hydrogen 2.923 N/A LEU 105.A N ALA 101.A O no hydrogen 3.095 N/A TYR 106.A N VAL 102.A O no hydrogen 3.086 N/A MET 107.A N VAL 103.A O no hydrogen 2.931 N/A ALA 108.A N LEU 104.A O no hydrogen 2.993 N/A THR 109.A N LEU 105.A O no hydrogen 2.974 N/A THR 109.A OG1 LEU 105.A O no hydrogen 2.614 N/A GLN 110.A N TYR 106.A O no hydrogen 3.056 N/A GLN 110.A NE2 TYR 106.A O no hydrogen 3.318 N/A GLN 110.A NE2 HIS 139.A O no hydrogen 2.851 N/A ILE 111.A N MET 107.A O no hydrogen 2.986 N/A SER 112.A N ALA 108.A O no hydrogen 2.905 N/A SER 112.A OG ALA 108.A O no hydrogen 3.439 N/A SER 112.A OG THR 109.A O no hydrogen 2.816 N/A SER 112.A OG HIS 254.A ND1 no hydrogen 3.237 N/A SER 113.A N THR 109.A O no hydrogen 3.071 N/A SER 113.A N GLN 110.A O no hydrogen 3.247 N/A SER 113.A OG HIS 59.A NE2 no hydrogen 3.329 N/A ALA 114.A N GLN 110.A O no hydrogen 3.241 N/A MET 115.A N ILE 111.A O no hydrogen 3.079 N/A GLU 116.A N SER 112.A O no hydrogen 2.848 N/A TYR 117.A N SER 113.A O no hydrogen 3.078 N/A LEU 118.A N ALA 114.A O no hydrogen 2.919 N/A GLU 119.A N MET 115.A O no hydrogen 2.860 N/A LYS 120.A N GLU 116.A O no hydrogen 2.990 N/A LYS 121.A N TYR 117.A O no hydrogen 3.080 N/A ASN 122.A N GLU 119.A O no hydrogen 2.941 N/A PHE 123.A N LEU 118.A O no hydrogen 2.975 N/A HIS 125.A N ASP 185.A OD2 no hydrogen 2.662 N/A HIS 125.A NE2 ALA 144.A O no hydrogen 2.764 N/A ARG 126.A N ASP 185.A OD1 no hydrogen 2.919 N/A ASP 127.A N HIS 125.A ND1 no hydrogen 2.931 N/A ALA 130.A N GLU 195.A OE1 no hydrogen 3.006 N/A ARG 131.A NE TYR 157.A OH no hydrogen 2.827 N/A ARG 131.A NH2 ASP 127.A OD1 no hydrogen 2.987 N/A ASN 132.A N ALA 129.A O no hydrogen 2.986 N/A ASN 132.A ND2 ASP 127.A O no hydrogen 2.736 N/A CYS 133.A N ALA 130.A O no hydrogen 3.191 N/A CYS 133.A SG ALA 129.A O no hydrogen 3.563 N/A LEU 134.A N LYS 142.A O no hydrogen 2.851 N/A VAL 135.A N GLY 85.A O no hydrogen 2.758 N/A GLY 136.A N LEU 140.A O no hydrogen 2.765 N/A HIS 139.A NE2 GLU 98.A OE2 no hydrogen 2.696 N/A LEU 140.A N GLU 137.A O no hydrogen 3.167 N/A VAL 141.A N GLN 110.A OE1 no hydrogen 2.979 N/A LYS 142.A N LEU 134.A O no hydrogen 2.883 N/A LYS 142.A NZ GLU 80.A OE1 no hydrogen 3.291 N/A LYS 142.A NZ GLU 80.A OE2 no hydrogen 2.524 N/A VAL 143.A N ASN 61.A O no hydrogen 2.842 N/A ALA 144.A N ASN 132.A O no hydrogen 2.905 N/A PHE 146.A N ASN 132.A OD1 no hydrogen 2.902 N/A GLY 147.A N ASP 145.A OD1 no hydrogen 2.989 N/A ARG 150.A NH1 GLU 46.A OE1 no hydrogen 3.470 N/A ARG 150.A NH2 GLU 46.A OE1 no hydrogen 3.492 N/A ARG 150.A NH2 GLU 46.A OE2 no hydrogen 2.938 N/A LEU 151.A N LEU 148.A O no hydrogen 2.966 N/A MET 152.A N LEU 148.A O no hydrogen 3.250 N/A TYR 157.A OH ASP 127.A OD1 no hydrogen 3.226 N/A TYR 157.A OH ASP 127.A OD2 no hydrogen 2.374 N/A THR 158.A N PHE 165.A O no hydrogen 2.832 N/A HIS 160.A N ALA 163.A O no hydrogen 2.974 N/A HIS 160.A NE2 LEU 175.A O no hydrogen 2.710 N/A ALA 163.A N HIS 160.A O no hydrogen 2.865 N/A LYS 164.A NZ TYR 157.A O no hydrogen 3.326 N/A PHE 165.A N THR 158.A O no hydrogen 2.919 N/A LYS 168.A NZ PRO 203.A O no hydrogen 3.131 N/A LYS 168.A NZ TYR 204.A O no hydrogen 2.735 N/A LYS 168.A NZ ILE 207.A O no hydrogen 2.757 N/A TRP 169.A N PRO 166.A O no hydrogen 2.979 N/A TRP 169.A NE1 GLU 195.A OE1 no hydrogen 2.928 N/A THR 170.A N ILE 167.A O no hydrogen 3.129 N/A THR 170.A OG1 PRO 166.A O no hydrogen 2.654 N/A GLU 173.A N GLU 173.A OE1 no hydrogen 2.771 N/A SER 174.A N ALA 171.A O no hydrogen 2.968 N/A SER 174.A OG LYS 179.A O no hydrogen 2.621 N/A LEU 175.A N ALA 171.A O no hydrogen 2.973 N/A ALA 176.A N PRO 172.A O no hydrogen 2.802 N/A TYR 177.A N GLU 173.A O no hydrogen 2.942 N/A ASN 178.A N SER 174.A O no hydrogen 3.073 N/A LYS 179.A N GLU 173.A O no hydrogen 3.364 N/A SER 181.A N SER 184.A OG no hydrogen 2.917 N/A LYS 183.A NZ ARG 247.A O no hydrogen 2.970 N/A SER 184.A N SER 181.A O no hydrogen 3.015 N/A SER 184.A N SER 181.A OG no hydrogen 3.242 N/A SER 184.A OG SER 181.A O no hydrogen 2.951 N/A ASP 185.A N SER 181.A O no hydrogen 3.239 N/A VAL 186.A N ILE 182.A O no hydrogen 2.949 N/A TRP 187.A N LYS 183.A O no hydrogen 3.077 N/A ALA 188.A N SER 184.A O no hydrogen 3.047 N/A PHE 189.A N ASP 185.A O no hydrogen 2.731 N/A GLY 190.A N VAL 186.A O no hydrogen 2.992 N/A VAL 191.A N TRP 187.A O no hydrogen 3.238 N/A LEU 192.A N ALA 188.A O no hydrogen 2.825 N/A LEU 193.A N PHE 189.A O no hydrogen 2.908 N/A TRP 194.A N GLY 190.A O no hydrogen 3.270 N/A GLU 195.A N VAL 191.A O no hydrogen 2.907 N/A ILE 196.A N LEU 192.A O no hydrogen 2.915 N/A ALA 197.A N LEU 193.A O no hydrogen 2.942 N/A THR 198.A N TRP 194.A O no hydrogen 3.056 N/A THR 198.A OG1 TRP 194.A O no hydrogen 2.852 N/A THR 198.A OG1 GLU 195.A O no hydrogen 3.347 N/A TYR 199.A N ILE 196.A O no hydrogen 3.073 N/A TYR 199.A OH VAL 99.A O no hydrogen 2.686 N/A GLY 200.A N GLU 195.A O no hydrogen 2.693 N/A MET 201.A N THR 198.A OG1 no hydrogen 3.273 N/A ILE 207.A N TYR 204.A O no hydrogen 3.084 N/A SER 210.A N ASP 208.A OD1 no hydrogen 3.161 N/A SER 210.A OG ASP 208.A OD1 no hydrogen 3.047 N/A GLN 211.A N ASP 208.A O no hydrogen 2.880 N/A VAL 212.A N LEU 209.A O no hydrogen 3.284 N/A LEU 215.A N GLN 211.A O no hydrogen 3.171 N/A LEU 216.A N VAL 212.A O no hydrogen 2.862 N/A GLU 217.A N TYR 213.A O no hydrogen 2.855 N/A LYS 218.A N GLU 214.A O no hydrogen 3.148 N/A LYS 218.A N LEU 215.A O no hydrogen 2.921 N/A ASP 219.A N LEU 216.A O no hydrogen 2.983 N/A TYR 220.A N LEU 215.A O no hydrogen 3.077 N/A ARG 221.A NE TRP 240.A O no hydrogen 2.791 N/A ARG 221.A NH1 LEU 216.A O no hydrogen 2.955 N/A ARG 221.A NH1 TYR 220.A O no hydrogen 2.818 N/A ARG 221.A NH2 TRP 240.A O no hydrogen 2.874 N/A ARG 224.A NH1 CYS 228.A O no hydrogen 3.002 N/A CYS 228.A N PRO 225.A O no hydrogen 3.071 N/A CYS 228.A SG PRO 229.A O no hydrogen 3.512 N/A TYR 233.A N PRO 229.A O no hydrogen 3.073 N/A TYR 233.A OH MET 222.A O no hydrogen 2.548 N/A GLU 234.A N GLU 230.A O no hydrogen 2.894 N/A LEU 235.A N LYS 231.A O no hydrogen 3.086 N/A MET 236.A N VAL 232.A O no hydrogen 2.944 N/A ARG 237.A N TYR 233.A O no hydrogen 2.949 N/A ARG 237.A NE TYR 233.A OH no hydrogen 2.966 N/A ARG 237.A NH2 TYR 233.A OH no hydrogen 3.249 N/A ALA 238.A N GLU 234.A O no hydrogen 3.109 N/A CYS 239.A N LEU 235.A O no hydrogen 3.019 N/A CYS 239.A SG LEU 235.A O no hydrogen 3.397 N/A TRP 240.A N MET 236.A O no hydrogen 3.041 N/A TRP 240.A N ARG 237.A O no hydrogen 3.237 N/A GLN 241.A N ALA 238.A O no hydrogen 3.299 N/A ASN 243.A ND2 ASP 246.A OD2 no hydrogen 3.540 N/A ASP 246.A N ASN 243.A O no hydrogen 2.803 N/A ARG 247.A N PRO 244.A O no hydrogen 3.031 N/A ARG 247.A NE GLN 241.A O no hydrogen 2.772 N/A ARG 247.A NH1 GLU 173.A OE2 no hydrogen 2.864 N/A ARG 247.A NH1 LYS 183.A O no hydrogen 2.985 N/A ARG 247.A NH2 GLU 173.A OE1 no hydrogen 2.888 N/A ARG 247.A NH2 GLU 173.A OE2 no hydrogen 3.557 N/A ARG 247.A NH2 GLN 241.A O no hydrogen 3.149 N/A ARG 247.A NH2 TRP 242.A O no hydrogen 3.041 N/A SER 249.A N GLU 252.A OE1 no hydrogen 3.035 N/A PHE 250.A N GLU 119.A OE1 no hydrogen 2.884 N/A ALA 251.A N GLU 119.A OE2 no hydrogen 3.132 N/A GLU 252.A N SER 249.A OG no hydrogen 2.977 N/A ILE 253.A N SER 249.A O no hydrogen 2.949 N/A HIS 254.A N PHE 250.A O no hydrogen 2.672 N/A HIS 254.A ND1 SER 112.A OG no hydrogen 3.237 N/A GLN 255.A N ALA 251.A O no hydrogen 3.066 N/A GLN 255.A NE2 GLN 255.A O no hydrogen 3.140 N/A GLN 255.A NE2 THR 259.A OG1 no hydrogen 3.281 N/A ALA 256.A N GLU 252.A O no hydrogen 3.008 N/A PHE 257.A N ILE 253.A O no hydrogen 3.068 N/A GLU 258.A N HIS 254.A O no hydrogen 2.852 N/A THR 259.A N GLN 255.A O no hydrogen 2.915 N/A THR 259.A OG1 GLN 255.A O no hydrogen 3.094 N/A MET 260.A N ALA 256.A O no hydrogen 2.935 N/A PHE 261.A N PHE 257.A O no hydrogen 2.819 N/A GLN 262.A N GLU 258.A O no hydrogen 2.988 N/A GLU 263.A N THR 259.A O no hydrogen 3.133 N/A SER 264.A N PHE 261.A O no hydrogen 3.163 N/A SER 264.A OG PHE 261.A O no hydrogen 3.024 N/A SER 264.A OG SER 264.A O no hydrogen 2.502 N/A