Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3tni_B.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 5.A NE1 GLU 140.A OE1 no hydrogen 3.139 N/A PHE 7.A N LEU 182.A O no hydrogen 2.766 N/A THR 8.A N GLN 11.A OE1 no hydrogen 2.847 N/A THR 8.A OG1 GLN 11.A OE1 no hydrogen 3.202 N/A GLN 11.A N THR 8.A OG1 no hydrogen 3.031 N/A LEU 12.A N THR 8.A O no hydrogen 3.057 N/A GLU 13.A N ARG 9.A O no hydrogen 3.070 N/A ASN 14.A N GLU 10.A O no hydrogen 3.077 N/A SER 15.A N GLU 13.A O no hydrogen 2.913 N/A SER 15.A OG GLU 27.A OE1 no hydrogen 2.611 N/A SER 15.A OG GLU 27.A OE2 no hydrogen 3.084 N/A ARG 18.A N SER 15.A OG no hydrogen 3.224 N/A ARG 18.A NH1 GLU 27.A OE1 no hydrogen 3.053 N/A ARG 18.A NH2 VAL 22.A O no hydrogen 2.796 N/A ARG 18.A NH2 GLU 27.A OE1 no hydrogen 2.553 N/A ARG 19.A N SER 15.A O no hydrogen 3.190 N/A PHE 20.A N SER 17.A O no hydrogen 2.956 N/A GLY 21.A N ARG 18.A O no hydrogen 3.007 N/A VAL 22.A N SER 17.A O no hydrogen 3.394 N/A LYS 26.A NZ TYR 30.A OH no hydrogen 2.968 N/A GLU 27.A N ASP 23.A O no hydrogen 3.139 N/A LEU 28.A N PRO 24.A O no hydrogen 3.112 N/A SER 29.A N ASP 25.A O no hydrogen 3.167 N/A SER 29.A OG ASP 25.A O no hydrogen 3.334 N/A TYR 30.A N LYS 26.A O no hydrogen 2.979 N/A ARG 31.A N GLU 27.A O no hydrogen 3.119 N/A ARG 31.A NH1 HIS 60.A ND1 no hydrogen 3.436 N/A ARG 31.A NH1 HIS 60.A O no hydrogen 3.016 N/A ARG 31.A NH2 GLU 27.A OE2 no hydrogen 2.704 N/A GLN 32.A N LEU 28.A O no hydrogen 3.138 N/A GLN 32.A NE2 LEU 177.A O no hydrogen 3.189 N/A GLN 33.A N SER 29.A O no hydrogen 2.839 N/A ALA 34.A N TYR 30.A O no hydrogen 3.164 N/A ALA 35.A N ARG 31.A O no hydrogen 2.918 N/A ASN 36.A N GLN 32.A O no hydrogen 2.960 N/A LEU 37.A N GLN 33.A O no hydrogen 2.970 N/A LEU 38.A N ALA 34.A O no hydrogen 2.866 N/A GLN 39.A N ALA 35.A O no hydrogen 2.881 N/A GLN 39.A NE2 GLN 43.A OE1 no hydrogen 3.041 N/A GLN 39.A NE2 GLN 49.A OE1 no hydrogen 2.870 N/A ASP 40.A N ASN 36.A O no hydrogen 2.854 N/A MET 41.A N LEU 37.A O no hydrogen 2.999 N/A GLY 42.A N LEU 38.A O no hydrogen 3.000 N/A GLN 43.A N GLN 39.A O no hydrogen 3.025 N/A ARG 44.A N ASP 40.A O no hydrogen 3.175 N/A ARG 44.A NE ASP 40.A OD1 no hydrogen 2.919 N/A ARG 44.A NH2 ASP 40.A OD1 no hydrogen 3.152 N/A ARG 44.A NH2 ASP 40.A OD2 no hydrogen 2.931 N/A LEU 45.A N MET 41.A O no hydrogen 2.761 N/A ASN 46.A N GLN 43.A O no hydrogen 3.181 N/A VAL 47.A N GLY 42.A O no hydrogen 3.112 N/A SER 48.A N GLN 90.A OE1 no hydrogen 2.974 N/A SER 48.A OG THR 51.A OG1 no hydrogen 3.343 N/A GLN 49.A NE2 GLN 39.A OE1 no hydrogen 2.674 N/A GLN 49.A NE2 GLN 49.A O no hydrogen 3.671 N/A GLN 49.A NE2 ASN 53.A OD1 no hydrogen 3.285 N/A THR 51.A N SER 48.A OG no hydrogen 3.274 N/A THR 51.A OG1 SER 48.A OG no hydrogen 3.343 N/A THR 51.A OG1 GLN 90.A OE1 no hydrogen 2.823 N/A ILE 52.A N SER 48.A O no hydrogen 3.284 N/A ASN 53.A N GLN 49.A O no hydrogen 2.748 N/A THR 54.A N LEU 50.A O no hydrogen 2.835 N/A THR 54.A OG1 LEU 50.A O no hydrogen 3.133 N/A THR 54.A OG1 GLU 88.A OE2 no hydrogen 2.934 N/A THR 54.A OG1 HIS 145.A NE2 no hydrogen 3.110 N/A ALA 55.A N THR 51.A O no hydrogen 2.897 N/A ILE 56.A N ILE 52.A O no hydrogen 2.988 N/A VAL 57.A N ASN 53.A O no hydrogen 2.979 N/A TYR 58.A N THR 54.A O no hydrogen 3.054 N/A TYR 58.A OH LEU 141.A O no hydrogen 2.805 N/A MET 59.A N ALA 55.A O no hydrogen 3.009 N/A HIS 60.A N ILE 56.A O no hydrogen 2.893 N/A HIS 60.A NE2 LEU 175.A O no hydrogen 3.132 N/A ARG 61.A N VAL 57.A O no hydrogen 2.847 N/A PHE 62.A N TYR 58.A O no hydrogen 2.639 N/A TYR 63.A N MET 59.A O no hydrogen 3.206 N/A TYR 63.A OH PHE 71.A O no hydrogen 2.548 N/A MET 64.A N ARG 61.A O no hydrogen 2.835 N/A ILE 65.A N PHE 62.A O no hydrogen 3.370 N/A GLN 66.A N PHE 62.A O no hydrogen 2.931 N/A GLN 66.A NE2 THR 136.A OG1 no hydrogen 3.216 N/A SER 67.A OG THR 69.A OG1 no hydrogen 2.756 N/A PHE 68.A N SER 17.A OG no hydrogen 3.109 N/A THR 69.A N SER 67.A OG no hydrogen 3.052 N/A THR 69.A OG1 SER 67.A OG no hydrogen 2.756 N/A GLN 70.A N SER 67.A O no hydrogen 3.028 N/A PHE 71.A N SER 67.A O no hydrogen 3.039 N/A SER 75.A N PRO 72.A O no hydrogen 3.025 N/A VAL 76.A N PRO 72.A O no hydrogen 3.069 N/A ALA 77.A N GLY 73.A O no hydrogen 2.855 N/A ALA 80.A N VAL 76.A O no hydrogen 2.879 N/A LEU 81.A N ALA 77.A O no hydrogen 2.962 N/A PHE 82.A N PRO 78.A O no hydrogen 2.785 N/A LEU 83.A N ALA 79.A O no hydrogen 2.935 N/A ALA 84.A N ALA 80.A O no hydrogen 2.830 N/A ALA 85.A N LEU 81.A O no hydrogen 2.884 N/A LYS 86.A N PHE 82.A O no hydrogen 3.392 N/A LYS 86.A NZ GLU 130.A OE1 no hydrogen 3.435 N/A LYS 86.A NZ GLU 130.A OE2 no hydrogen 2.402 N/A VAL 87.A N LEU 83.A O no hydrogen 2.939 N/A GLU 88.A N ALA 84.A O no hydrogen 2.906 N/A GLU 89.A N LYS 86.A O no hydrogen 2.940 N/A GLN 90.A N ALA 85.A O no hydrogen 2.826 N/A LYS 92.A NZ LEU 45.A O no hydrogen 2.919 N/A VAL 97.A N LYS 93.A O no hydrogen 2.942 N/A ILE 98.A N LEU 94.A O no hydrogen 3.000 N/A LYS 99.A N GLU 95.A O no hydrogen 3.004 N/A VAL 100.A N HIS 96.A O no hydrogen 3.084 N/A ALA 101.A N VAL 97.A O no hydrogen 2.945 N/A HIS 102.A N ILE 98.A O no hydrogen 2.936 N/A THR 103.A N LYS 99.A O no hydrogen 3.238 N/A CYS 104.A N VAL 100.A O no hydrogen 3.222 N/A CYS 104.A SG ASP 40.A OD2 no hydrogen 3.364 N/A CYS 104.A SG VAL 100.A O no hydrogen 3.267 N/A LEU 105.A N ALA 101.A O no hydrogen 2.991 N/A HIS 106.A N HIS 102.A O no hydrogen 2.664 N/A GLU 109.A N HIS 106.A O no hydrogen 3.030 N/A SER 116.A N ASP 113.A O no hydrogen 2.612 N/A SER 116.A OG ASP 113.A O no hydrogen 2.399 N/A TYR 119.A N SER 116.A OG no hydrogen 3.321 N/A LEU 120.A N SER 116.A O no hydrogen 3.162 N/A GLN 121.A N GLU 117.A O no hydrogen 3.189 N/A GLN 122.A N ALA 118.A O no hydrogen 3.302 N/A VAL 123.A N TYR 119.A O no hydrogen 3.205 N/A GLN 124.A N LEU 120.A O no hydrogen 3.203 N/A ASP 125.A N GLN 121.A O no hydrogen 3.072 N/A LEU 126.A N GLN 122.A O no hydrogen 3.251 N/A VAL 127.A N VAL 123.A O no hydrogen 3.291 N/A ILE 128.A N GLN 124.A O no hydrogen 3.138 N/A LEU 129.A N ASP 125.A O no hydrogen 3.006 N/A GLU 130.A N LEU 126.A O no hydrogen 2.773 N/A SER 131.A N VAL 127.A O no hydrogen 3.233 N/A ILE 132.A N ILE 128.A O no hydrogen 3.223 N/A ILE 133.A N LEU 129.A O no hydrogen 2.981 N/A LEU 134.A N GLU 130.A O no hydrogen 3.071 N/A GLN 135.A N SER 131.A O no hydrogen 3.102 N/A THR 136.A N ILE 132.A O no hydrogen 2.924 N/A THR 136.A OG1 ILE 132.A O no hydrogen 2.802 N/A LEU 137.A N ILE 133.A O no hydrogen 2.830 N/A GLY 138.A N GLN 135.A O no hydrogen 3.115 N/A PHE 139.A N LEU 134.A O no hydrogen 2.749 N/A GLU 140.A N LEU 137.A O no hydrogen 3.155 N/A HIS 145.A NE2 THR 54.A OG1 no hydrogen 3.110 N/A HIS 147.A NE2 THR 172.A OG1 no hydrogen 3.120 N/A THR 148.A N HIS 145.A O no hydrogen 3.249 N/A THR 148.A OG1 HIS 145.A O no hydrogen 3.350 N/A HIS 149.A NE2 ASP 144.A OD2 no hydrogen 3.085 N/A VAL 150.A N PRO 146.A O no hydrogen 2.888 N/A VAL 151.A N HIS 147.A O no hydrogen 3.361 N/A LYS 152.A N THR 148.A O no hydrogen 3.516 N/A CYS 153.A N HIS 149.A O no hydrogen 2.950 N/A THR 154.A N VAL 150.A O no hydrogen 2.785 N/A THR 154.A OG1 VAL 150.A O no hydrogen 3.242 N/A GLN 155.A N VAL 151.A O no hydrogen 3.181 N/A LEU 156.A N LYS 152.A O no hydrogen 3.061 N/A VAL 157.A N CYS 153.A O no hydrogen 2.986 N/A ARG 158.A N GLN 155.A O no hydrogen 3.051 N/A ALA 159.A N THR 154.A O no hydrogen 3.083 N/A LEU 163.A N SER 160.A OG no hydrogen 3.089 N/A ALA 164.A N SER 160.A O no hydrogen 3.218 N/A GLN 165.A N LYS 161.A O no hydrogen 2.817 N/A THR 166.A N ASP 162.A O no hydrogen 2.869 N/A THR 166.A OG1 ASP 162.A O no hydrogen 3.296 N/A SER 167.A N LEU 163.A O no hydrogen 3.046 N/A SER 167.A OG LEU 163.A O no hydrogen 2.832 N/A TYR 168.A N ALA 164.A O no hydrogen 3.202 N/A PHE 169.A N GLN 165.A O no hydrogen 3.187 N/A MET 170.A N THR 166.A O no hydrogen 3.053 N/A ALA 171.A N SER 167.A O no hydrogen 2.889 N/A THR 172.A N TYR 168.A O no hydrogen 2.843 N/A THR 172.A OG1 HIS 147.A NE2 no hydrogen 3.120 N/A THR 172.A OG1 TYR 168.A O no hydrogen 3.336 N/A ASN 173.A N PHE 169.A O no hydrogen 2.955 N/A ASN 173.A ND2 PHE 169.A O no hydrogen 2.570 N/A SER 174.A N MET 170.A O no hydrogen 2.752 N/A SER 174.A OG ALA 171.A O no hydrogen 2.786 N/A LEU 175.A N ALA 171.A O no hydrogen 3.384 N/A HIS 176.A N THR 172.A O no hydrogen 3.371 N/A HIS 176.A ND1 THR 172.A O no hydrogen 2.945 N/A LEU 177.A N ASN 173.A O no hydrogen 2.881 N/A THR 178.A N SER 174.A O no hydrogen 3.041 N/A THR 178.A OG1 SER 174.A O no hydrogen 2.726 N/A PHE 180.A N THR 178.A OG1 no hydrogen 3.398 N/A LEU 182.A N THR 179.A O no hydrogen 2.741 N/A GLN 183.A N PHE 180.A O no hydrogen 2.770 N/A GLN 183.A NE2 THR 179.A O no hydrogen 3.574 N/A GLN 183.A NE2 THR 179.A OG1 no hydrogen 2.748 N/A TYR 184.A N PHE 180.A O no hydrogen 2.729 N/A VAL 189.A N THR 185.A O no hydrogen 2.997 N/A ALA 190.A N PRO 186.A O no hydrogen 2.963 N/A CYS 191.A N PRO 187.A O no hydrogen 3.292 N/A CYS 191.A SG PRO 187.A O no hydrogen 3.421 N/A VAL 192.A N VAL 188.A O no hydrogen 2.984 N/A CYS 193.A N VAL 189.A O no hydrogen 2.977 N/A CYS 193.A SG VAL 189.A O no hydrogen 3.363 N/A ILE 194.A N ALA 190.A O no hydrogen 2.963 N/A HIS 195.A N CYS 191.A O no hydrogen 2.851 N/A HIS 195.A NE2 ASP 228.A OD1 no hydrogen 2.740 N/A LEU 196.A N VAL 192.A O no hydrogen 3.185 N/A ALA 197.A N CYS 193.A O no hydrogen 2.977 N/A CYS 198.A N ILE 194.A O no hydrogen 2.947 N/A CYS 198.A SG ILE 194.A O no hydrogen 3.159 N/A LYS 199.A N HIS 195.A O no hydrogen 3.051 N/A LYS 199.A NZ ASP 228.A OD1 no hydrogen 3.113 N/A TRP 200.A N LEU 196.A O no hydrogen 2.698 N/A TRP 200.A NE1 ILE 248.A O no hydrogen 3.017 N/A SER 201.A N ALA 197.A O no hydrogen 3.102 N/A SER 201.A N CYS 198.A O no hydrogen 3.043 N/A SER 201.A OG ALA 197.A O no hydrogen 2.859 N/A ASN 202.A N LYS 199.A O no hydrogen 3.420 N/A TRP 203.A N CYS 198.A O no hydrogen 2.927 N/A SER 208.A N LYS 212.A O no hydrogen 3.367 N/A SER 208.A OG ASP 210.A OD2 no hydrogen 3.474 N/A SER 208.A OG LYS 212.A O no hydrogen 3.167 N/A SER 208.A OG TYR 217.A OH no hydrogen 2.984 N/A GLY 211.A N SER 208.A O no hydrogen 2.873 N/A LYS 212.A N SER 208.A OG no hydrogen 3.202 N/A GLU 216.A N HIS 213.A O no hydrogen 3.130 N/A TYR 217.A N TRP 214.A O no hydrogen 3.342 N/A TYR 217.A OH SER 208.A OG no hydrogen 2.984 N/A TYR 217.A OH ASP 210.A OD2 no hydrogen 3.211 N/A VAL 218.A N TRP 215.A O no hydrogen 2.631 N/A ASP 219.A N TRP 215.A O no hydrogen 2.944 N/A THR 221.A N ASP 219.A OD1 no hydrogen 2.914 N/A THR 221.A OG1 ASP 219.A OD1 no hydrogen 2.345 N/A THR 223.A OG1 GLU 225.A OE1 no hydrogen 3.068 N/A LEU 226.A N THR 223.A OG1 no hydrogen 3.269 N/A LEU 227.A N THR 223.A O no hydrogen 2.861 N/A ASP 228.A N LEU 224.A O no hydrogen 2.810 N/A GLU 229.A N GLU 225.A O no hydrogen 3.146 N/A LEU 230.A N LEU 226.A O no hydrogen 2.935 N/A THR 231.A N LEU 227.A O no hydrogen 3.033 N/A THR 231.A OG1 LEU 227.A O no hydrogen 2.947 N/A THR 231.A OG1 ASP 228.A O no hydrogen 3.252 N/A HIS 232.A N ASP 228.A O no hydrogen 3.181 N/A GLU 233.A N GLU 229.A O no hydrogen 3.346 N/A LEU 234.A N LEU 230.A O no hydrogen 2.886 N/A LEU 235.A N THR 231.A O no hydrogen 2.760 N/A GLN 236.A N HIS 232.A O no hydrogen 2.889 N/A GLN 236.A NE2 HIS 232.A NE2 no hydrogen 3.018 N/A ILE 237.A N GLU 233.A O no hydrogen 3.135 N/A LEU 238.A N LEU 234.A O no hydrogen 3.047 N/A GLU 239.A N LEU 235.A O no hydrogen 3.086 N/A LYS 240.A N ILE 237.A O no hydrogen 2.968 N/A THR 241.A N LEU 238.A O no hydrogen 3.038 N/A THR 241.A OG1 ILE 237.A O no hydrogen 2.929 N/A ARG 244.A N THR 241.A O no hydrogen 3.168 N/A ARG 244.A NH1 ASN 173.A OD1 no hydrogen 3.113 N/A ARG 247.A N ARG 244.A O no hydrogen 3.305 N/A ILE 248.A N LEU 245.A O no hydrogen 2.914 N/A TRP 249.A N LYS 246.A O no hydrogen 3.051 N/A ARG 252.A N ASN 250.A OD1 no hydrogen 3.268 N/A ARG 252.A NH1 ASN 250.A OD1 no hydrogen 2.996 N/A