Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tva_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 3.A N ARG 242.A O no hydrogen 2.972 N/A TRP 3.A NE1 TYR 241.A O no hydrogen 2.892 N/A GLY 6.A N LEU 245.A O no hydrogen 2.846 N/A PHE 8.A N ILE 247.A O no hydrogen 2.986 N/A THR 9.A N.A GLN 31.A O no hydrogen 2.772 N/A THR 9.A N.B GLN 31.A O no hydrogen 2.755 N/A THR 9.A OG1.A GLN 31.A O no hydrogen 3.058 N/A SER 10.A N VAL 17.A O no hydrogen 2.945 N/A SER 10.A OG ALA 13.A O no hydrogen 2.825 N/A ALA 13.A N ASP 12.A OD2 no hydrogen 2.531 N/A GLY 16.A N SER 10.A OG no hydrogen 2.956 N/A VAL 17.A N PHE 8.A O no hydrogen 3.362 N/A GLU 20.A N GLU 20.A OE1 no hydrogen 2.681 N/A VAL 21.A N HIS 18.A O no hydrogen 3.001 N/A GLN 23.A N LEU 19.A O no hydrogen 2.989 N/A ASP 24.A N.A GLU 20.A O no hydrogen 3.069 N/A ASP 24.A N.B GLU 20.A O no hydrogen 3.103 N/A LEU 25.A N VAL 21.A O no hydrogen 3.028 N/A LYS 26.A N GLN 23.A O no hydrogen 2.947 N/A VAL 27.A N ALA 22.A O no hydrogen 3.314 N/A THR 29.A OG1 ILE 5.A O no hydrogen 3.221 N/A VAL 30.A N GLN 58.A O no hydrogen 2.924 N/A GLN 31.A N VAL 7.A O no hydrogen 3.239 N/A GLN 31.A NE2 ASN 173.A OD1 no hydrogen 3.205 N/A VAL 32.A N VAL 61.A O no hydrogen 2.873 N/A HIS 33.A N THR 9.A O.A no hydrogen 2.782 N/A HIS 33.A N THR 9.A O.B no hydrogen 2.735 N/A HIS 33.A ND1 ALA 34.A O no hydrogen 2.942 N/A ALA 34.A N PHE 63.A O no hydrogen 2.833 N/A HIS 36.A N ASP 12.A OD2 no hydrogen 2.885 N/A THR 39.A N HIS 36.A O no hydrogen 2.943 N/A THR 39.A OG1 ASP 12.A OD1 no hydrogen 2.809 N/A THR 39.A OG1 HIS 36.A O no hydrogen 3.112 N/A ARG 40.A N PRO 37.A O no hydrogen 3.253 N/A ARG 40.A NE PRO 35.A O no hydrogen 3.040 N/A ARG 40.A NH1 GLU 95.A OE2 no hydrogen 3.121 N/A ARG 40.A NH1 GLU 97.A OE2 no hydrogen 3.379 N/A ARG 40.A NH2 PRO 35.A O no hydrogen 3.000 N/A ARG 40.A NH2 GLU 95.A OE2 no hydrogen 3.128 N/A THR 41.A OG1 GLU 43.A OE2 no hydrogen 3.271 N/A THR 41.A OG1 HIS 44.A ND1 no hydrogen 2.874 N/A HIS 44.A N THR 41.A OG1 no hydrogen 3.307 N/A HIS 44.A ND1 THR 41.A OG1 no hydrogen 2.874 N/A ALA 45.A N THR 41.A O no hydrogen 2.935 N/A GLN 46.A N ARG 42.A O no hydrogen 2.969 N/A ALA 47.A N GLU 43.A O no hydrogen 3.157 N/A PHE 48.A N HIS 44.A O no hydrogen 2.959 N/A ARG 49.A N.A ALA 45.A O no hydrogen 2.911 N/A ARG 49.A N.B ALA 45.A O no hydrogen 2.943 N/A ARG 49.A NE.A TRP 104.A O no hydrogen 3.338 N/A ARG 49.A NH2.A TRP 104.A O no hydrogen 3.358 N/A ARG 49.A NH2.B ASP 53.A OD2.B no hydrogen 2.866 N/A ALA 50.A N GLN 46.A O no hydrogen 3.012 N/A LYS 51.A N ALA 47.A O no hydrogen 2.941 N/A LYS 51.A NZ GLU 20.A OE2 no hydrogen 2.691 N/A CYS 52.A N PHE 48.A O no hydrogen 2.973 N/A CYS 52.A SG PHE 48.A O no hydrogen 3.409 N/A ASP 53.A N.A ARG 49.A O.A no hydrogen 2.907 N/A ASP 53.A N.A ARG 49.A O.B no hydrogen 2.890 N/A ASP 53.A N.B ARG 49.A O.A no hydrogen 2.908 N/A ASP 53.A N.B ARG 49.A O.B no hydrogen 2.892 N/A ALA 54.A N ALA 50.A O no hydrogen 3.022 N/A ALA 55.A N LYS 51.A O no hydrogen 3.064 N/A GLY 56.A N ASP 53.A O.A no hydrogen 3.194 N/A GLY 56.A N ASP 53.A O.B no hydrogen 3.016 N/A ILE 57.A N CYS 52.A O no hydrogen 2.882 N/A GLN 58.A N PRO 28.A O no hydrogen 2.899 N/A THR 60.A N VAL 30.A O no hydrogen 2.903 N/A THR 60.A OG1 VAL 30.A O no hydrogen 3.220 N/A ILE 62.A N ALA 109.A O no hydrogen 2.999 N/A PHE 63.A N VAL 32.A O no hydrogen 2.738 N/A GLY 64.A N GLY 111.A O no hydrogen 2.741 N/A PHE 66.A N GLU 69.A OE1 no hydrogen 3.059 N/A SER 70.A N THR 80.A OG1 no hydrogen 2.779 N/A TYR 71.A OH HIS 113.A ND1.A no hydrogen 3.202 N/A TYR 71.A OH HIS 113.A ND1.B no hydrogen 3.198 N/A ALA 72.A N SER 70.A OG no hydrogen 3.253 N/A THR 76.A N ASP 73.A OD1 no hydrogen 2.838 N/A THR 76.A OG1 ASP 73.A OD1 no hydrogen 2.738 N/A THR 77.A N ASP 73.A O no hydrogen 3.039 N/A THR 77.A OG1 ASP 73.A O no hydrogen 2.818 N/A ALA 78.A N ILE 74.A O no hydrogen 3.143 N/A ARG 79.A N.A PRO 75.A O no hydrogen 3.065 N/A ARG 79.A N.B PRO 75.A O no hydrogen 3.048 N/A THR 80.A N THR 76.A O no hydrogen 2.753 N/A THR 80.A OG1 THR 76.A O no hydrogen 2.924 N/A VAL 81.A N THR 77.A O no hydrogen 2.928 N/A GLY 82.A N GLU 69.A OE2 no hydrogen 2.825 N/A LEU 83.A N ILE 114.A O no hydrogen 2.838 N/A VAL 84.A N ILE 114.A O no hydrogen 3.348 N/A ARG 89.A N LEU 86.A O no hydrogen 3.380 N/A ARG 89.A NE LEU 83.A O no hydrogen 2.801 N/A ARG 89.A NH1 ASP 124.A OD1.A no hydrogen 2.866 N/A ARG 89.A NH2 VAL 84.A O no hydrogen 2.725 N/A ARG 89.A NH2 ASP 124.A OD1.A no hydrogen 3.227 N/A ARG 89.A NH2 ASP 124.A OD2.A no hydrogen 2.718 N/A ARG 92.A N THR 88.A O no hydrogen 2.942 N/A ARG 92.A NH1 THR 80.A O no hydrogen 2.715 N/A ARG 92.A NH1 GLY 82.A O no hydrogen 2.947 N/A ARG 92.A NH2 ASP 67.A O.A no hydrogen 3.027 N/A ARG 92.A NH2 ASP 67.A O.B no hydrogen 2.984 N/A ARG 92.A NH2 THR 80.A O no hydrogen 3.175 N/A VAL 93.A N ARG 89.A O no hydrogen 2.913 N/A ALA 94.A N ALA 90.A O no hydrogen 3.084 N/A GLU 95.A N SER 91.A O.A no hydrogen 2.951 N/A GLU 95.A N SER 91.A O.B no hydrogen 2.883 N/A LYS 96.A NZ ASP 134.A OD2 no hydrogen 2.713 N/A GLU 97.A N ALA 94.A O no hydrogen 3.045 N/A ILE 98.A N GLU 95.A O no hydrogen 2.871 N/A SER 99.A OG GLN 144.A OE1 no hydrogen 2.677 N/A ASP 100.A N LYS 96.A O no hydrogen 2.948 N/A PHE 101.A N GLU 97.A O no hydrogen 2.877 N/A ALA 102.A N ILE 98.A O no hydrogen 2.814 N/A SER 103.A N SER 99.A O no hydrogen 2.989 N/A SER 103.A OG HIS 142.A ND1 no hydrogen 3.361 N/A TRP 104.A N ASP 100.A O no hydrogen 3.085 N/A VAL 105.A N PHE 101.A O no hydrogen 2.941 N/A GLY 106.A N ALA 102.A O no hydrogen 2.865 N/A GLY 106.A N SER 103.A O no hydrogen 3.202 N/A CYS 107.A N ALA 102.A O no hydrogen 2.867 N/A CYS 107.A SG VAL 59.A O no hydrogen 3.545 N/A CYS 107.A SG ALA 109.A O no hydrogen 3.278 N/A ILE 110.A N ALA 145.A O no hydrogen 2.990 N/A GLY 111.A N ILE 62.A O no hydrogen 2.931 N/A LEU 112.A N.A HIS 147.A O no hydrogen 3.163 N/A LEU 112.A N.B HIS 147.A O no hydrogen 3.243 N/A HIS 113.A ND1.A TYR 71.A OH no hydrogen 3.202 N/A HIS 113.A NE2.B THR 150.A O no hydrogen 3.051 N/A VAL 117.A N GLU 153.A OE1 no hydrogen 3.101 N/A SER 120.A OG GLU 160.A OE2 no hydrogen 2.898 N/A SER 121.A OG GLU 119.A OE1 no hydrogen 3.341 N/A SER 122.A N GLU 119.A O no hydrogen 2.915 N/A SER 122.A OG ASP 124.A OD1.B no hydrogen 2.445 N/A ASP 124.A N.A SER 122.A OG no hydrogen 3.066 N/A ASP 124.A N.B SER 122.A OG no hydrogen 3.004 N/A TYR 125.A N SER 122.A O no hydrogen 3.268 N/A TYR 125.A OH ASP 164.A OD2 no hydrogen 2.738 N/A LEU 128.A N ASP 124.A O.A no hydrogen 3.035 N/A LEU 128.A N ASP 124.A O.B no hydrogen 3.128 N/A VAL 129.A N TYR 125.A O no hydrogen 2.965 N/A ARG 130.A N.A SER 126.A O.A no hydrogen 3.201 N/A ARG 130.A N.A SER 126.A O.B no hydrogen 3.068 N/A ARG 130.A N.B SER 126.A O.A no hydrogen 3.083 N/A ARG 130.A N.B SER 126.A O.B no hydrogen 2.940 N/A ARG 130.A NE.B SER 126.A OG.B no hydrogen 2.631 N/A ARG 130.A NH1.B GLU 127.A OE1 no hydrogen 2.726 N/A ARG 130.A NH2.B GLU 127.A OE1 no hydrogen 2.770 N/A VAL 131.A N GLU 127.A O no hydrogen 3.132 N/A THR 132.A N LEU 128.A O no hydrogen 3.028 N/A THR 132.A OG1 LEU 128.A O no hydrogen 2.809 N/A GLN 133.A N VAL 129.A O no hydrogen 2.963 N/A GLN 133.A NE2 VAL 165.A O no hydrogen 2.952 N/A ASP 134.A N ARG 130.A O.A no hydrogen 2.782 N/A ASP 134.A N ARG 130.A O.B no hydrogen 3.122 N/A LEU 135.A N VAL 131.A O no hydrogen 2.914 N/A LEU 136.A N THR 132.A O no hydrogen 2.862 N/A THR 137.A N GLN 133.A O no hydrogen 2.928 N/A THR 137.A OG1 GLN 133.A O no hydrogen 3.170 N/A HIS 138.A N ASP 134.A O no hydrogen 3.257 N/A HIS 138.A NE2 ASP 100.A OD1 no hydrogen 2.905 N/A ALA 139.A N LEU 135.A O no hydrogen 2.958 N/A ALA 140.A N LEU 136.A O no hydrogen 2.800 N/A ASN 141.A N THR 137.A O no hydrogen 2.970 N/A HIS 142.A N ALA 139.A O no hydrogen 2.845 N/A HIS 142.A NE2 ASP 100.A OD1 no hydrogen 2.813 N/A GLY 143.A N ALA 140.A O no hydrogen 2.854 N/A GLN 144.A N ALA 139.A O no hydrogen 2.847 N/A GLN 144.A NE2 SER 99.A O no hydrogen 2.873 N/A ALA 145.A N PRO 108.A O no hydrogen 3.009 N/A VAL 146.A N ASN 169.A O no hydrogen 2.907 N/A HIS 147.A N ILE 110.A O no hydrogen 2.846 N/A HIS 147.A ND1 SER 199.A OG no hydrogen 2.821 N/A LEU 148.A N GLY 171.A O no hydrogen 2.751 N/A GLU 149.A N LEU 112.A O.A no hydrogen 2.819 N/A GLU 149.A N LEU 112.A O.B no hydrogen 2.784 N/A THR 150.A N ASN 173.A O no hydrogen 3.299 N/A THR 150.A OG1 ASN 173.A O no hydrogen 3.511 N/A HIS 157.A N.A SER 154.A OG no hydrogen 3.165 N/A HIS 157.A N.B SER 154.A OG no hydrogen 3.173 N/A HIS 157.A NE2.A VAL 117.A O no hydrogen 3.019 N/A LEU 158.A N SER 154.A O no hydrogen 3.076 N/A LEU 159.A N ALA 155.A O no hydrogen 2.943 N/A GLU 160.A N ASP 156.A O no hydrogen 3.008 N/A PHE 161.A N HIS 157.A O.A no hydrogen 2.975 N/A PHE 161.A N HIS 157.A O.B no hydrogen 2.968 N/A ILE 162.A N LEU 158.A O no hydrogen 2.919 N/A GLU 163.A N.A LEU 159.A O no hydrogen 2.846 N/A GLU 163.A N.B LEU 159.A O no hydrogen 2.849 N/A ASP 164.A N GLU 160.A O no hydrogen 2.905 N/A VAL 165.A N PHE 161.A O no hydrogen 2.902 N/A ASN 166.A N ILE 162.A O no hydrogen 2.949 N/A ARG 167.A NH1.A THR 137.A OG1 no hydrogen 2.973 N/A ARG 167.A NH1.B ASN 166.A O no hydrogen 2.813 N/A ASN 169.A ND2 LEU 136.A O no hydrogen 3.032 N/A ASN 169.A ND2 GLN 144.A O no hydrogen 3.006 N/A LEU 170.A N ARG 167.A O.A no hydrogen 3.315 N/A LEU 170.A N ARG 167.A O.B no hydrogen 3.225 N/A GLY 171.A N VAL 146.A O no hydrogen 2.866 N/A ILE 172.A N TYR 196.A O no hydrogen 2.824 N/A ASN 173.A N LEU 148.A O no hydrogen 2.778 N/A ASN 173.A ND2 GLU 149.A OE1 no hydrogen 2.755 N/A PHE 174.A N SER 199.A O no hydrogen 2.870 N/A ASP 175.A N THR 150.A OG1 no hydrogen 2.820 N/A ASN 178.A N ASP 175.A O no hydrogen 3.236 N/A ASN 178.A N ASP 175.A OD1 no hydrogen 3.186 N/A ASN 178.A ND2 THR 150.A O no hydrogen 2.943 N/A LEU 180.A N ALA 177.A O no hydrogen 2.864 N/A TYR 181.A N ASN 178.A O no hydrogen 2.891 N/A GLY 182.A N ILE 179.A O no hydrogen 3.076 N/A GLU 188.A N ASN 185.A OD1 no hydrogen 3.173 N/A ALA 189.A N ASN 185.A O no hydrogen 3.111 N/A LEU 190.A N PRO 186.A O no hydrogen 2.958 N/A ARG 191.A N ILE 187.A O no hydrogen 3.172 N/A ARG 191.A NH1 GLU 238.A OE2 no hydrogen 3.017 N/A ARG 191.A NH2 GLU 238.A OE1 no hydrogen 2.971 N/A LYS 192.A N GLU 188.A O no hydrogen 3.212 N/A LYS 192.A NZ ASP 156.A OD1 no hydrogen 3.467 N/A VAL 193.A N ALA 189.A O no hydrogen 3.004 N/A ARG 195.A NE TYR 196.A OH no hydrogen 3.318 N/A ARG 195.A NH2 GLU 163.A OE2.A no hydrogen 3.424 N/A TYR 196.A N VAL 193.A O no hydrogen 2.909 N/A TYR 196.A OH GLU 163.A OE2.A no hydrogen 2.807 N/A VAL 197.A N ALA 194.A O no hydrogen 3.141 N/A ARG 198.A N.A ILE 172.A O no hydrogen 2.909 N/A ARG 198.A N.B ILE 172.A O no hydrogen 2.894 N/A ARG 198.A NH1.B ARG 195.A O no hydrogen 2.954 N/A ARG 198.A NH2.A PRO 168.A O no hydrogen 2.590 N/A ARG 198.A NH2.B ARG 195.A O no hydrogen 2.859 N/A ARG 198.A NH2.B VAL 197.A O no hydrogen 3.008 N/A SER 199.A N ILE 172.A O no hydrogen 3.353 N/A SER 199.A OG HIS 147.A ND1 no hydrogen 2.821 N/A SER 199.A OG ASN 173.A OD1 no hydrogen 2.578 N/A HIS 201.A N PHE 174.A O no hydrogen 2.759 N/A HIS 201.A NE2 GLN 31.A OE1 no hydrogen 2.507 N/A CYS 202.A N THR 246.A O no hydrogen 2.730 N/A LYS 203.A NZ ASP 175.A OD2 no hydrogen 2.855 N/A ALA 205.A N ASP 204.A OD1 no hydrogen 2.857 N/A LEU 206.A N GLN 219.A O no hydrogen 2.736 N/A TRP 207.A N ASP 227.A OD2 no hydrogen 2.907 N/A GLU 212.A N PRO 209.A O no hydrogen 2.833 N/A ARG 213.A N VAL 210.A O no hydrogen 3.368 N/A ARG 213.A NE ALA 208.A O no hydrogen 3.049 N/A LYS 215.A N GLU 212.A O no hydrogen 2.905 N/A LYS 215.A NZ ASN 211.A O.A no hydrogen 3.222 N/A LYS 215.A NZ ASN 211.A O.B no hydrogen 3.160 N/A SER 216.A N GLU 212.A O no hydrogen 2.827 N/A SER 216.A OG GLU 212.A OE1 no hydrogen 3.036 N/A TRP 217.A NE1 TYR 71.A O no hydrogen 2.862 N/A GLY 218.A N LEU 180.A O no hydrogen 3.079 N/A GLN 219.A N LEU 206.A O no hydrogen 3.028 N/A VAL 221.A N ASP 204.A O no hydrogen 3.126 N/A GLY 224.A N ASP 204.A OD2 no hydrogen 2.918 N/A THR 225.A N ALA 222.A O no hydrogen 2.953 N/A THR 225.A OG1 ALA 222.A O no hydrogen 2.652 N/A GLY 226.A N ASP 204.A OD2 no hydrogen 2.882 N/A ASP 227.A N ALA 205.A O no hydrogen 2.721 N/A VAL 228.A N ASP 204.A OD1 no hydrogen 2.999 N/A TYR 232.A N GLY 229.A O no hydrogen 2.758 N/A TYR 232.A OH HIS 201.A O no hydrogen 3.041 N/A THR 234.A N.A GLU 230.A O no hydrogen 2.931 N/A THR 234.A N.B GLU 230.A O no hydrogen 2.947 N/A THR 234.A OG1.A GLU 230.A O no hydrogen 2.514 N/A THR 234.A OG1.B GLU 230.A O no hydrogen 3.091 N/A THR 234.A OG1.B ALA 231.A O no hydrogen 3.182 N/A THR 235.A N ALA 231.A O no hydrogen 3.106 N/A THR 235.A OG1 ALA 231.A O no hydrogen 2.749 N/A LEU 236.A N TYR 232.A O no hydrogen 2.902 N/A TRP 237.A N LEU 233.A O no hydrogen 2.928 N/A GLU 238.A N THR 234.A O.A no hydrogen 3.125 N/A GLU 238.A N THR 234.A O.B no hydrogen 2.994 N/A ILE 239.A N THR 235.A O no hydrogen 3.117 N/A GLY 240.A N TRP 237.A O no hydrogen 3.130 N/A TYR 241.A N LEU 236.A O no hydrogen 3.068 N/A TYR 241.A OH PRO 244.A O no hydrogen 2.760 N/A ARG 242.A NH1 TRP 237.A O no hydrogen 2.940 N/A ARG 242.A NH1 TYR 241.A O no hydrogen 3.118 N/A ARG 242.A NH2 TRP 237.A O no hydrogen 3.492 N/A LEU 245.A N PRO 4.A O no hydrogen 2.874 N/A ILE 247.A N GLY 6.A O no hydrogen 2.842 N/A GLU 248.A N CYS 202.A O no hydrogen 3.086 N/A ARG 249.A NE ASP 261.A OD2 no hydrogen 2.781 N/A ARG 249.A NH1 GLU 220.A OE2 no hydrogen 3.000 N/A ARG 249.A NH2 ASP 261.A OD2 no hydrogen 3.463 N/A GLU 250.A N GLU 220.A OE2 no hydrogen 3.123 N/A ILE 251.A N ARG 249.A O no hydrogen 3.155 N/A ASP 254.A N ILE 251.A O no hydrogen 2.947 N/A GLN 257.A N ASP 254.A OD1 no hydrogen 3.362 N/A GLN 257.A NE2 ASP 261.A OD1 no hydrogen 3.005 N/A GLN 258.A N ASP 254.A O no hydrogen 2.823 N/A GLN 258.A NE2 LEU 15.A O no hydrogen 3.136 N/A GLN 258.A NE2 ARG 249.A O no hydrogen 2.791 N/A LYS 259.A N PRO 255.A O no hydrogen 2.928 N/A LYS 259.A NZ ASP 24.A OD2.B no hydrogen 2.686 N/A LYS 260.A N VAL 256.A O no hydrogen 3.016 N/A ASP 261.A N GLN 257.A O no hydrogen 2.909 N/A LEU 262.A N GLN 258.A O no hydrogen 2.998 N/A ALA 263.A N LYS 259.A O no hydrogen 2.887 N/A SER 264.A N LYS 260.A O no hydrogen 2.938 N/A SER 264.A OG LYS 260.A O no hydrogen 3.500 N/A SER 264.A OG ASP 261.A O no hydrogen 3.301 N/A ALA 265.A N ASP 261.A O no hydrogen 2.883 N/A LEU 266.A N LEU 262.A O no hydrogen 2.830 N/A GLU 267.A N ALA 263.A O no hydrogen 3.095 N/A LEU 268.A N SER 264.A O no hydrogen 2.952 N/A LEU 269.A N ALA 265.A O no hydrogen 2.857 N/A THR 270.A N LEU 266.A O no hydrogen 2.979 N/A THR 270.A OG1 LEU 266.A O no hydrogen 2.598 N/A GLY 271.A N GLU 267.A O no hydrogen 3.156 N/A LEU 272.A N LEU 268.A O no hydrogen 3.047 N/A ARG 273.A N LEU 269.A O no hydrogen 2.777 N/A ARG 273.A NH1 TRP 3.A O no hydrogen 2.994 N/A LYS 274.A N THR 270.A O no hydrogen 3.075 N/A LYS 275.A N GLY 271.A O no hydrogen 3.069 N/A LYS 275.A NZ GLU 230.A OE1 no hydrogen 2.629 N/A ILE 276.A N LEU 272.A O no hydrogen 2.768 N/A ALA 277.A N ARG 273.A O no hydrogen 2.752 N/A CYS 279.A SG TYR 2.A O no hydrogen 3.628 N/A