Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u64_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 1.A N ASP 1.A OD1 no hydrogen 2.415 N/A PHE 6.A N THR 3.A O no hydrogen 2.937 N/A THR 7.A N THR 3.A O no hydrogen 2.793 N/A THR 7.A OG1 THR 3.A O no hydrogen 3.278 N/A THR 7.A OG1 GLU 8.A OE2 no hydrogen 3.002 N/A GLU 8.A N ARG 4.A O no hydrogen 3.030 N/A GLU 9.A N PHE 6.A O no hydrogen 3.206 N/A ASP 10.A N GLU 9.A OE2 no hydrogen 2.973 N/A ASP 11.A N GLU 9.A OE2 no hydrogen 3.211 N/A LEU 14.A N ASP 11.A OD1 no hydrogen 2.875 N/A VAL 15.A N ASP 11.A O no hydrogen 3.469 N/A ALA 16.A N LEU 12.A O no hydrogen 2.834 N/A GLN 17.A N ASP 13.A O no hydrogen 2.954 N/A SER 18.A N LEU 14.A O no hydrogen 3.151 N/A SER 18.A N VAL 15.A O no hydrogen 3.047 N/A SER 18.A OG LEU 14.A O no hydrogen 2.601 N/A SER 18.A OG VAL 15.A O no hydrogen 3.342 N/A LEU 19.A N VAL 15.A O no hydrogen 2.859 N/A LEU 23.A N LEU 19.A O no hydrogen 2.844 N/A LYS 24.A N PRO 20.A O no hydrogen 3.002 N/A LYS 24.A NZ GLU 27.A OE1 no hydrogen 2.716 N/A VAL 25.A N LEU 21.A O no hydrogen 2.763 N/A TYR 26.A N VAL 22.A O no hydrogen 2.963 N/A GLU 27.A N LEU 23.A O no hydrogen 2.853 N/A ALA 28.A N LYS 24.A O no hydrogen 2.914 N/A LEU 29.A N VAL 25.A O no hydrogen 2.901 N/A HIS 30.A N TYR 26.A O no hydrogen 2.830 N/A LEU 31.A N GLU 27.A O no hydrogen 3.120 N/A GLN 32.A N ALA 28.A O no hydrogen 3.023 N/A GLN 32.A NE2 ASN 33.A OD1 no hydrogen 3.525 N/A ASN 33.A N LEU 29.A O no hydrogen 3.003 N/A ASN 33.A N HIS 30.A O no hydrogen 3.214 N/A HIS 36.A N ASN 33.A O no hydrogen 2.895 N/A ARG 37.A NE SER 91.A O no hydrogen 3.102 N/A ARG 37.A NE SER 91.A OG no hydrogen 3.136 N/A ARG 37.A NH2 SER 91.A OG no hydrogen 3.238 N/A ARG 37.A NH2 ASP 122.A OD1 no hydrogen 2.980 N/A LEU 39.A N HIS 36.A ND1 no hydrogen 3.048 N/A SER 40.A N HIS 36.A O no hydrogen 3.129 N/A SER 40.A OG HIS 36.A O no hydrogen 3.482 N/A SER 40.A OG SER 90.A OG no hydrogen 3.112 N/A LEU 41.A N ARG 37.A O no hydrogen 2.957 N/A ALA 42.A N GLY 38.A O no hydrogen 2.837 N/A VAL 43.A N LEU 39.A O no hydrogen 3.021 N/A GLY 44.A N SER 40.A O no hydrogen 3.121 N/A ARG 45.A N LEU 41.A O no hydrogen 2.872 N/A LEU 46.A N ALA 42.A O no hydrogen 3.005 N/A TYR 47.A N VAL 43.A O no hydrogen 3.079 N/A TYR 47.A OH GLU 27.A OE1 no hydrogen 2.381 N/A ILE 48.A N GLY 44.A O no hydrogen 3.154 N/A MET 49.A N ARG 45.A O no hydrogen 2.904 N/A TYR 50.A N LEU 46.A O no hydrogen 2.862 N/A ALA 51.A N TYR 47.A O no hydrogen 2.745 N/A ASN 52.A N ILE 48.A O no hydrogen 3.077 N/A ALA 53.A N MET 49.A O no hydrogen 2.899 N/A PHE 54.A N TYR 50.A O no hydrogen 2.831 N/A VAL 55.A N ALA 51.A O no hydrogen 3.277 N/A GLN 56.A N ALA 51.A O no hydrogen 2.872 N/A THR 57.A N ASN 52.A O no hydrogen 2.987 N/A THR 57.A OG1 ASN 52.A O no hydrogen 3.050 N/A THR 57.A OG1 ASN 52.A OD1 no hydrogen 3.244 N/A ALA 59.A N VAL 55.A O no hydrogen 3.352 N/A GLN 60.A N GLN 56.A O no hydrogen 3.096 N/A GLN 60.A N THR 57.A O no hydrogen 2.887 N/A TYR 61.A N PRO 58.A O no hydrogen 3.107 N/A LEU 62.A N ALA 59.A O no hydrogen 3.107 N/A GLU 66.A N PRO 63.A O no hydrogen 2.982 N/A GLN 70.A N GLU 66.A O no hydrogen 3.141 N/A ASN 71.A N PHE 67.A O no hydrogen 2.729 N/A GLU 72.A N GLU 68.A O no hydrogen 2.988 N/A ALA 73.A N ALA 69.A O no hydrogen 2.940 N/A TYR 74.A N GLN 70.A O no hydrogen 2.750 N/A SER 75.A N ASN 71.A O no hydrogen 2.975 N/A SER 75.A OG ASN 71.A O no hydrogen 2.830 N/A ARG 76.A N GLU 72.A O no hydrogen 2.977 N/A ALA 77.A N ALA 73.A O no hydrogen 2.853 N/A ARG 78.A N TYR 74.A O no hydrogen 2.936 N/A LYS 79.A N SER 75.A O no hydrogen 3.096 N/A LEU 80.A N ARG 76.A O no hydrogen 3.082 N/A TYR 81.A N ALA 77.A O no hydrogen 2.769 N/A TYR 81.A OH GLN 56.A OE1 no hydrogen 2.879 N/A LEU 82.A N ARG 78.A O no hydrogen 3.118 N/A ARG 83.A N LYS 79.A O no hydrogen 2.939 N/A ARG 83.A NH1 TYR 47.A OH no hydrogen 3.280 N/A GLY 84.A N LEU 80.A O no hydrogen 2.867 N/A ALA 85.A N TYR 81.A O no hydrogen 2.703 N/A ARG 86.A N LEU 82.A O no hydrogen 2.979 N/A TYR 87.A N ARG 83.A O no hydrogen 2.940 N/A TYR 87.A OH GLU 27.A OE2 no hydrogen 2.442 N/A ALA 88.A N GLY 84.A O no hydrogen 3.086 N/A LEU 89.A N ALA 85.A O no hydrogen 2.894 N/A SER 90.A N TYR 87.A O no hydrogen 3.154 N/A SER 90.A OG SER 40.A OG no hydrogen 3.112 N/A SER 90.A OG TYR 87.A O no hydrogen 2.626 N/A SER 91.A N ALA 88.A O no hydrogen 2.914 N/A SER 91.A OG THR 125.A OG1 no hydrogen 3.185 N/A GLU 93.A N LEU 89.A O no hydrogen 2.907 N/A THR 94.A N SER 90.A O no hydrogen 2.883 N/A THR 94.A OG1 PRO 34.A O no hydrogen 3.390 N/A THR 94.A OG1 SER 90.A O no hydrogen 3.079 N/A ALA 95.A N SER 91.A O no hydrogen 3.177 N/A TYR 96.A N LEU 92.A O no hydrogen 2.852 N/A TYR 96.A OH ASP 122.A OD2 no hydrogen 2.545 N/A GLY 98.A N GLU 93.A OE2 no hydrogen 2.833 N/A PHE 99.A N TYR 96.A O no hydrogen 2.917 N/A THR 100.A N GLU 93.A OE1 no hydrogen 2.822 N/A THR 100.A OG1 GLU 93.A OE1 no hydrogen 2.898 N/A GLU 102.A N GLY 98.A O no hydrogen 3.104 N/A VAL 103.A N PHE 99.A O no hydrogen 2.812 N/A PHE 104.A N THR 100.A O no hydrogen 3.225 N/A SER 105.A N GLU 102.A O no hydrogen 2.957 N/A SER 105.A OG GLU 102.A O no hydrogen 2.675 N/A SER 105.A OG ASP 107.A O no hydrogen 3.444 N/A ASP 107.A N SER 105.A OG no hydrogen 3.144 N/A GLN 109.A N ASP 107.A OD1 no hydrogen 2.879 N/A ARG 110.A N ASP 107.A OD1 no hydrogen 3.245 N/A ARG 110.A NE GLU 102.A OE1 no hydrogen 2.969 N/A ARG 110.A NH2 GLU 102.A OE2 no hydrogen 2.897 N/A LEU 111.A N ASP 107.A O no hydrogen 2.873 N/A HIS 112.A N GLU 108.A O no hydrogen 2.882 N/A LYS 113.A N GLN 109.A O no hydrogen 2.936 N/A VAL 114.A N ARG 110.A O no hydrogen 2.997 N/A LEU 115.A N LEU 111.A O no hydrogen 3.008 N/A SER 116.A N HIS 112.A O no hydrogen 3.059 N/A SER 116.A N LYS 113.A O no hydrogen 3.239 N/A SER 116.A OG LYS 113.A O no hydrogen 2.785 N/A ARG 117.A N VAL 114.A O no hydrogen 3.223 N/A CYS 118.A N LEU 115.A O no hydrogen 3.282 N/A CYS 118.A SG VAL 114.A O no hydrogen 4.029 N/A THR 119.A N ASP 122.A OD2 no hydrogen 2.759 N/A THR 119.A OG1 ASP 122.A OD2 no hydrogen 3.508 N/A VAL 121.A N THR 119.A OG1 no hydrogen 3.363 N/A ASP 122.A N THR 119.A O no hydrogen 2.755 N/A VAL 123.A N ARG 120.A O no hydrogen 3.208 N/A THR 125.A OG1 SER 91.A OG no hydrogen 3.185 N/A LEU 126.A N ASP 122.A O no hydrogen 2.952 N/A TYR 127.A N VAL 123.A O no hydrogen 2.953 N/A TRP 128.A N GLY 124.A O no hydrogen 3.145 N/A VAL 129.A N THR 125.A O no hydrogen 2.988 N/A GLY 130.A N LEU 126.A O no hydrogen 2.944 N/A THR 131.A N TYR 127.A O no hydrogen 2.896 N/A THR 131.A OG1 TYR 127.A O no hydrogen 2.652 N/A GLY 132.A N TRP 128.A O no hydrogen 2.836 N/A TYR 133.A N VAL 129.A O no hydrogen 3.090 N/A VAL 134.A N GLY 130.A O no hydrogen 2.980 N/A ALA 135.A N THR 131.A O no hydrogen 2.803 N/A ALA 136.A N GLY 132.A O no hydrogen 2.956 N/A PHE 137.A N TYR 133.A O no hydrogen 2.898 N/A ALA 138.A N VAL 134.A O no hydrogen 3.108 N/A LEU 139.A N ALA 136.A O no hydrogen 3.048 N/A THR 140.A N PHE 137.A O no hydrogen 2.903 N/A THR 140.A OG1 ALA 136.A O no hydrogen 2.678 N/A SER 144.A N PRO 141.A O no hydrogen 2.868 N/A VAL 150.A N LEU 146.A O no hydrogen 3.046 N/A HIS 151.A N PRO 147.A O no hydrogen 2.731 N/A HIS 151.A NE2 GLU 108.A OE2 no hydrogen 3.030 N/A ALA 152.A N ASP 148.A O no hydrogen 3.074 N/A ALA 153.A N THR 149.A O no hydrogen 2.941 N/A VAL 154.A N VAL 150.A O no hydrogen 3.082 N/A MET 155.A N HIS 151.A O no hydrogen 2.989 N/A MET 156.A N ALA 152.A O no hydrogen 2.946 N/A LEU 157.A N ALA 153.A O no hydrogen 2.953 N/A GLU 158.A N VAL 154.A O no hydrogen 2.718 N/A ARG 159.A N MET 155.A O no hydrogen 2.833 N/A ARG 159.A NE LEU 115.A O no hydrogen 2.836 N/A ARG 159.A NH2 CYS 118.A O no hydrogen 3.001 N/A ALA 160.A N MET 156.A O no hydrogen 3.020 N/A CYS 161.A N LEU 157.A O no hydrogen 3.053 N/A CYS 161.A SG LEU 157.A O no hydrogen 3.682 N/A ASP 162.A N GLU 158.A O no hydrogen 3.176 N/A LEU 163.A N ARG 159.A O no hydrogen 2.985 N/A TRP 164.A N ALA 160.A O no hydrogen 2.838 N/A TYR 167.A N TRP 164.A O no hydrogen 2.957 N/A GLY 170.A N SER 166.A O no hydrogen 3.274 N/A ALA 171.A N TYR 167.A O no hydrogen 3.120 N/A ALA 171.A N GLN 168.A O no hydrogen 2.955 N/A TRP 173.A NE1 PRO 165.A O no hydrogen 2.724 N/A ASN 174.A N GLY 170.A O no hydrogen 3.350 N/A ASN 174.A ND2 THR 215.A OG1 no hydrogen 2.645 N/A VAL 175.A N ALA 171.A O no hydrogen 3.301 N/A LEU 176.A N VAL 172.A O no hydrogen 2.990 N/A THR 177.A N TRP 173.A O no hydrogen 2.863 N/A THR 177.A OG1 TRP 173.A O no hydrogen 2.659 N/A LYS 178.A N ASN 174.A O no hydrogen 3.187 N/A PHE 179.A N VAL 175.A O no hydrogen 2.910 N/A TYR 180.A N LEU 176.A O no hydrogen 2.852 N/A ALA 181.A N THR 177.A O no hydrogen 3.004 N/A ALA 182.A N LYS 178.A O no hydrogen 3.186 N/A ALA 182.A N PHE 179.A O no hydrogen 3.147 N/A ALA 183.A N PHE 179.A O no hydrogen 2.777 N/A PHE 187.A N PRO 184.A O no hydrogen 2.785 N/A GLY 189.A N PRO 184.A O no hydrogen 3.252 N/A GLY 190.A N TYR 180.A O no hydrogen 2.936 N/A LYS 193.A NZ GLY 188.A O no hydrogen 3.530 N/A ALA 194.A N GLY 190.A O no hydrogen 3.015 N/A HIS 195.A N MET 191.A O no hydrogen 2.921 N/A HIS 195.A ND1 MET 191.A O no hydrogen 2.574 N/A THR 196.A N GLU 192.A O no hydrogen 3.123 N/A THR 196.A OG1 GLU 192.A O no hydrogen 3.366 N/A ALA 197.A N LYS 193.A O no hydrogen 3.016 N/A PHE 198.A N ALA 194.A O no hydrogen 2.990 N/A GLU 199.A N HIS 195.A O no hydrogen 2.864 N/A HIS 200.A N THR 196.A O no hydrogen 3.110 N/A LEU 201.A N ALA 197.A O no hydrogen 3.039 N/A THR 202.A N PHE 198.A O no hydrogen 3.092 N/A THR 202.A OG1 GLU 199.A O no hydrogen 2.649 N/A ARG 203.A N HIS 200.A O no hydrogen 3.050 N/A TYR 204.A N LEU 201.A O no hydrogen 2.996 N/A CYS 205.A N LEU 201.A O no hydrogen 2.994 N/A CYS 205.A SG LEU 201.A O no hydrogen 3.351 N/A HIS 208.A N SER 206.A OG no hydrogen 3.033 N/A ASP 209.A N SER 206.A O no hydrogen 2.948 N/A ASP 211.A N ASP 209.A OD1 no hydrogen 2.911 N/A HIS 212.A N ASP 209.A OD2 no hydrogen 3.281 N/A HIS 212.A ND1 ASP 209.A OD2 no hydrogen 3.227 N/A ILE 214.A N PRO 210.A O no hydrogen 3.035 N/A THR 215.A N ASP 211.A O no hydrogen 2.831 N/A THR 215.A OG1 ASP 211.A O no hydrogen 3.067 N/A TYR 216.A N HIS 212.A O no hydrogen 3.054 N/A ALA 217.A N HIS 213.A O no hydrogen 3.051 N/A ASP 218.A N ILE 214.A O no hydrogen 2.795 N/A ALA 219.A N THR 215.A O no hydrogen 2.871 N/A LEU 220.A N TYR 216.A O no hydrogen 3.286 N/A CYS 221.A N TYR 216.A O no hydrogen 2.942 N/A CYS 221.A SG TYR 216.A O no hydrogen 3.497 N/A ILE 222.A N ALA 217.A O no hydrogen 3.136 N/A ASN 225.A N ILE 222.A O no hydrogen 3.095 N/A ASN 226.A N CYS 221.A O no hydrogen 2.928 N/A ARG 227.A NE ASP 231.A OD2 no hydrogen 3.443 N/A ARG 227.A NH1 GLN 267.A OE1 no hydrogen 2.990 N/A GLY 229.A N ASN 226.A OD1 no hydrogen 2.941 N/A PHE 230.A N ASN 226.A O no hydrogen 3.042 N/A ASP 231.A N ARG 227.A O no hydrogen 2.982 N/A GLU 232.A N ALA 228.A O no hydrogen 3.139 N/A ALA 233.A N GLY 229.A O no hydrogen 2.862 N/A LEU 234.A N PHE 230.A O no hydrogen 3.099 N/A ASP 235.A N ASP 231.A O no hydrogen 2.876 N/A ARG 236.A N GLU 232.A O no hydrogen 2.887 N/A ALA 237.A N ALA 233.A O no hydrogen 2.922 N/A LEU 238.A N LEU 234.A O no hydrogen 2.924 N/A ALA 239.A N ARG 236.A O no hydrogen 3.191 N/A GLU 243.A N ASP 241.A OD1 no hydrogen 3.041 N/A SER 244.A N ASP 241.A O no hydrogen 2.729 N/A SER 244.A OG ASP 241.A OD2 no hydrogen 3.516 N/A VAL 245.A N PRO 242.A O no hydrogen 3.445 N/A ASN 248.A N GLU 8.A OE2 no hydrogen 2.916 N/A LYS 249.A N GLU 8.A OE1 no hydrogen 3.235 N/A LYS 249.A NZ GLU 243.A OE1 no hydrogen 3.133 N/A LEU 250.A N THR 7.A O no hydrogen 2.901 N/A VAL 252.A N ASN 248.A O no hydrogen 3.087 N/A ILE 253.A N LYS 249.A O no hydrogen 2.967 N/A LEU 254.A N LEU 250.A O no hydrogen 2.978 N/A SER 255.A N LEU 251.A O no hydrogen 2.786 N/A SER 255.A OG ASP 211.A OD1 no hydrogen 2.688 N/A SER 255.A OG ASP 211.A OD2 no hydrogen 3.239 N/A SER 255.A OG LEU 251.A O no hydrogen 3.338 N/A GLN 256.A N VAL 252.A O no hydrogen 2.788 N/A GLN 256.A NE2 ALA 237.A O no hydrogen 2.878 N/A GLN 256.A NE2 ILE 240.A O no hydrogen 2.841 N/A LYS 257.A N ILE 253.A O no hydrogen 3.100 N/A ARG 258.A N LEU 254.A O no hydrogen 3.130 N/A ALA 259.A N SER 255.A O no hydrogen 2.962 N/A ARG 260.A N GLN 256.A O no hydrogen 2.915 N/A TRP 261.A N LYS 257.A O no hydrogen 3.071 N/A LEU 262.A N ARG 258.A O no hydrogen 2.957 N/A LYS 263.A N ALA 259.A O no hydrogen 2.984 N/A LYS 263.A NZ ASP 231.A O no hydrogen 3.504 N/A LYS 263.A NZ ASP 231.A OD1 no hydrogen 3.232 N/A LYS 263.A NZ ASP 235.A OD1 no hydrogen 3.091 N/A ALA 264.A N ARG 260.A O no hydrogen 3.023 N/A HIS 265.A N TRP 261.A O no hydrogen 2.936 N/A HIS 265.A ND1 ASP 268.A OD2 no hydrogen 2.937 N/A VAL 266.A N LYS 263.A O no hydrogen 3.190 N/A ASP 268.A N HIS 265.A O no hydrogen 2.975 N/A PHE 269.A N VAL 266.A O no hydrogen 2.890 N/A PHE 270.A N VAL 266.A O no hydrogen 3.258 N/A