Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2btp_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 1.A N TYR 19.A OH no hydrogen 2.662 N/A HIS 3.A ND1 TYR 19.A OH no hydrogen 3.197 N/A HIS 4.A N MET 1.A O no hydrogen 3.026 N/A HIS 6.A NE2 THR 46.A OG1 no hydrogen 2.620 N/A HIS 7.A N VAL 11.A O no hydrogen 2.659 N/A HIS 7.A ND1 SER 9.A OG no hydrogen 2.701 N/A SER 9.A N HIS 7.A ND1 no hydrogen 3.059 N/A SER 9.A OG HIS 7.A ND1 no hydrogen 2.701 N/A GLY 10.A N HIS 7.A O no hydrogen 2.824 N/A LEU 13.A N HIS 5.A O no hydrogen 2.905 N/A GLY 14.A N ASP 12.A OD1 no hydrogen 2.604 N/A THR 15.A OG1 GLU 53.A OE1 no hydrogen 2.667 N/A THR 15.A OG1 GLU 53.A OE2 no hydrogen 3.372 N/A ASN 17.A N THR 15.A O no hydrogen 2.858 N/A ASN 17.A ND2 GLY 14.A O no hydrogen 2.899 N/A TYR 19.A OH HIS 3.A ND1 no hydrogen 3.197 N/A PHE 20.A N ASN 17.A OD1 no hydrogen 3.279 N/A GLN 21.A N ASN 17.A O no hydrogen 2.837 N/A SER 22.A N LEU 18.A O no hydrogen 2.699 N/A SER 22.A OG LEU 18.A O no hydrogen 2.683 N/A SER 22.A OG TYR 19.A O no hydrogen 3.107 N/A MET 23.A N PHE 20.A O no hydrogen 3.370 N/A LYS 25.A NZ GLU 62.A OE2 no hydrogen 3.271 N/A LEU 28.A N GLU 24.A O no hydrogen 3.166 N/A ILE 29.A N LYS 25.A O no hydrogen 2.849 N/A GLN 30.A N THR 26.A O no hydrogen 3.143 N/A LYS 31.A N GLU 27.A O no hydrogen 2.752 N/A ALA 32.A N LEU 28.A O no hydrogen 2.906 N/A LYS 33.A N ILE 29.A O no hydrogen 2.947 N/A LYS 33.A NZ GLU 61.A OE1 no hydrogen 3.065 N/A LEU 34.A N GLN 30.A O no hydrogen 2.974 N/A ALA 35.A N LYS 31.A O no hydrogen 2.958 N/A GLU 36.A N ALA 32.A O no hydrogen 2.865 N/A GLN 37.A N LYS 33.A O no hydrogen 3.051 N/A GLN 37.A NE2 LYS 33.A O no hydrogen 2.825 N/A ALA 38.A N LEU 34.A O no hydrogen 2.805 N/A GLU 39.A N GLU 36.A O no hydrogen 2.895 N/A ARG 40.A N ALA 35.A O no hydrogen 2.767 N/A ARG 40.A NE ASP 43.A OD2 no hydrogen 3.275 N/A ARG 40.A NH2 ASP 43.A OD2 no hydrogen 3.055 N/A MET 44.A N ARG 40.A O no hydrogen 3.219 N/A ALA 45.A N TYR 41.A O no hydrogen 2.784 N/A THR 46.A N ASP 42.A O no hydrogen 3.012 N/A THR 46.A OG1 HIS 6.A NE2 no hydrogen 2.620 N/A THR 46.A OG1 ASP 42.A O no hydrogen 2.749 N/A CYS 47.A N ASP 43.A O no hydrogen 2.862 N/A CYS 47.A SG ASP 43.A O no hydrogen 3.292 N/A MET 48.A N MET 44.A O no hydrogen 2.999 N/A LYS 49.A N ALA 45.A O no hydrogen 2.788 N/A ALA 50.A N THR 46.A O no hydrogen 3.000 N/A VAL 51.A N CYS 47.A O no hydrogen 3.041 N/A THR 52.A N MET 48.A O no hydrogen 2.713 N/A THR 52.A OG1 MET 48.A O no hydrogen 3.040 N/A GLU 53.A N LYS 49.A O no hydrogen 2.949 N/A GLN 54.A NE2 MET 23.A O no hydrogen 3.364 N/A GLY 55.A N THR 52.A O no hydrogen 2.873 N/A SER 59.A N GLU 62.A OE1 no hydrogen 2.985 N/A GLU 62.A N SER 59.A OG no hydrogen 3.156 N/A ARG 63.A N SER 59.A O no hydrogen 2.879 N/A ARG 63.A NH1 GLU 131.A OE2 no hydrogen 3.403 N/A ARG 63.A NH1 SER 132.A OG no hydrogen 3.381 N/A ARG 63.A NH2 GLU 131.A OE2 no hydrogen 3.151 N/A ASN 64.A N ASN 60.A O no hydrogen 3.169 N/A LEU 65.A N GLU 61.A O no hydrogen 3.057 N/A LEU 66.A N GLU 62.A O no hydrogen 3.051 N/A SER 67.A N ARG 63.A O no hydrogen 2.864 N/A VAL 68.A N ASN 64.A O no hydrogen 2.724 N/A ALA 69.A N LEU 65.A O no hydrogen 2.906 N/A TYR 70.A N LEU 66.A O no hydrogen 3.181 N/A LYS 71.A N SER 67.A O no hydrogen 2.850 N/A ASN 72.A N VAL 68.A O no hydrogen 3.122 N/A ASN 72.A ND2 VAL 68.A O no hydrogen 2.661 N/A VAL 73.A N ALA 69.A O no hydrogen 3.085 N/A VAL 74.A N TYR 70.A O no hydrogen 2.800 N/A GLY 75.A N LYS 71.A O no hydrogen 2.720 N/A GLY 76.A N ASN 72.A O no hydrogen 3.203 N/A ARG 77.A N VAL 74.A O no hydrogen 3.103 N/A ARG 77.A NE GLU 107.A OE1 no hydrogen 3.014 N/A ARG 77.A NH1 VAL 73.A O no hydrogen 3.286 N/A ARG 77.A NH2 SER 8.A O no hydrogen 3.401 N/A ARG 77.A NH2 GLU 107.A OE1 no hydrogen 3.181 N/A ARG 78.A N VAL 74.A O no hydrogen 3.207 N/A ARG 78.A NE GLU 149.A OE1 no hydrogen 3.200 N/A ARG 78.A NH2 GLU 149.A OE2 no hydrogen 2.863 N/A SER 79.A N GLY 75.A O no hydrogen 3.079 N/A ALA 80.A N GLY 76.A O no hydrogen 3.444 N/A TRP 81.A N ARG 77.A O no hydrogen 2.741 N/A TRP 81.A NE1 GLU 105.A OE1 no hydrogen 3.119 N/A ARG 82.A N ARG 78.A O no hydrogen 2.998 N/A VAL 83.A N SER 79.A O no hydrogen 3.118 N/A ILE 84.A N ALA 80.A O no hydrogen 2.939 N/A SER 85.A N TRP 81.A O no hydrogen 2.938 N/A SER 85.A OG TRP 81.A O no hydrogen 2.631 N/A SER 85.A OG ARG 82.A O no hydrogen 3.453 N/A SER 86.A N ARG 82.A O no hydrogen 2.902 N/A ILE 87.A N VAL 83.A O no hydrogen 2.976 N/A GLU 88.A N ILE 84.A O no hydrogen 2.857 N/A GLN 89.A N SER 85.A O no hydrogen 2.708 N/A LYS 90.A N SER 86.A O no hydrogen 2.989 N/A THR 91.A N GLU 88.A O no hydrogen 3.086 N/A THR 91.A OG1 ILE 87.A O no hydrogen 3.013 N/A THR 91.A OG1 GLU 88.A O no hydrogen 3.515 N/A ILE 97.A N LYS 93.A O no hydrogen 3.163 N/A LYS 98.A N LEU 94.A O no hydrogen 3.049 N/A ASP 99.A N GLN 95.A O no hydrogen 2.833 N/A TYR 100.A N LEU 96.A O no hydrogen 3.209 N/A ARG 101.A N ILE 97.A O no hydrogen 2.912 N/A ARG 101.A NE GLU 105.A OE1 no hydrogen 3.162 N/A ARG 101.A NH1 GLU 88.A OE1 no hydrogen 3.036 N/A ARG 101.A NH2 GLU 105.A OE1 no hydrogen 3.445 N/A GLU 102.A N LYS 98.A O no hydrogen 3.034 N/A LYS 103.A N ASP 99.A O no hydrogen 2.900 N/A VAL 104.A N TYR 100.A O no hydrogen 3.134 N/A GLU 105.A N ARG 101.A O no hydrogen 2.879 N/A SER 106.A N GLU 102.A O no hydrogen 2.907 N/A SER 106.A OG GLU 102.A O no hydrogen 3.521 N/A GLU 107.A N LYS 103.A O no hydrogen 3.250 N/A LEU 108.A N VAL 104.A O no hydrogen 2.822 N/A ARG 109.A N GLU 105.A O no hydrogen 2.940 N/A SER 110.A N SER 106.A O no hydrogen 3.265 N/A SER 110.A OG SER 106.A O no hydrogen 3.093 N/A ILE 111.A N GLU 107.A O no hydrogen 3.325 N/A CYS 112.A N LEU 108.A O no hydrogen 2.957 N/A CYS 112.A SG LEU 108.A O no hydrogen 3.467 N/A CYS 112.A SG TYR 143.A O no hydrogen 3.589 N/A THR 113.A N ARG 109.A O no hydrogen 2.647 N/A THR 113.A OG1 ARG 109.A O no hydrogen 2.936 N/A THR 114.A N SER 110.A O no hydrogen 2.739 N/A THR 114.A OG1 SER 110.A O no hydrogen 2.802 N/A VAL 115.A N ILE 111.A O no hydrogen 2.995 N/A LEU 116.A N CYS 112.A O no hydrogen 2.732 N/A GLU 117.A N THR 113.A O no hydrogen 2.852 N/A LEU 118.A N THR 114.A O no hydrogen 2.973 N/A LEU 119.A N VAL 115.A O no hydrogen 2.873 N/A ASP 120.A N LEU 116.A O no hydrogen 2.946 N/A LYS 121.A N GLU 117.A O no hydrogen 2.820 N/A TYR 122.A N LEU 118.A O no hydrogen 3.036 N/A LEU 123.A N LEU 118.A O no hydrogen 3.126 N/A ILE 124.A N LEU 119.A O no hydrogen 3.066 N/A ASN 126.A N TYR 122.A O no hydrogen 3.249 N/A ALA 127.A N ILE 124.A O no hydrogen 2.921 N/A THR 128.A OG1 ASN 126.A O no hydrogen 2.748 N/A ASN 129.A ND2 SER 132.A OG no hydrogen 3.302 N/A SER 132.A N ASN 129.A OD1 no hydrogen 3.195 N/A LYS 133.A N ASN 129.A O no hydrogen 3.064 N/A VAL 134.A N PRO 130.A O no hydrogen 2.804 N/A PHE 135.A N GLU 131.A O no hydrogen 2.961 N/A TYR 136.A N SER 132.A O no hydrogen 2.907 N/A LEU 137.A N LYS 133.A O no hydrogen 2.924 N/A LYS 138.A N VAL 134.A O no hydrogen 2.878 N/A LYS 138.A NZ ASP 142.A OD2 no hydrogen 3.127 N/A MET 139.A N PHE 135.A O no hydrogen 2.988 N/A LYS 140.A N TYR 136.A O no hydrogen 2.857 N/A LYS 140.A NZ ASP 120.A OD1 no hydrogen 2.669 N/A GLY 141.A N LEU 137.A O no hydrogen 2.776 N/A ASP 142.A N LYS 138.A O no hydrogen 2.823 N/A TYR 143.A N MET 139.A O no hydrogen 2.857 N/A PHE 144.A N LYS 140.A O no hydrogen 3.115 N/A ARG 145.A N GLY 141.A O no hydrogen 2.960 N/A ARG 145.A NE TYR 167.A OH no hydrogen 3.035 N/A ARG 145.A NH2 ASP 142.A OD1 no hydrogen 3.215 N/A ARG 145.A NH2 TYR 167.A OH no hydrogen 3.437 N/A TYR 146.A N ASP 142.A O no hydrogen 2.892 N/A LEU 147.A N TYR 143.A O no hydrogen 3.110 N/A ALA 148.A N PHE 144.A O no hydrogen 2.935 N/A GLU 149.A N ARG 145.A O no hydrogen 2.967 N/A VAL 150.A N LEU 147.A O no hydrogen 3.044 N/A ALA 151.A N LEU 147.A O no hydrogen 2.856 N/A ARG 156.A N CYS 152.A O no hydrogen 2.723 N/A GLN 158.A N ASP 154.A O no hydrogen 2.983 N/A THR 159.A N ASP 155.A O no hydrogen 3.098 N/A THR 159.A OG1 ASP 155.A O no hydrogen 2.683 N/A ILE 160.A N ARG 156.A O no hydrogen 2.974 N/A ASP 161.A N LYS 157.A O no hydrogen 2.918 N/A ASN 162.A N GLN 158.A O no hydrogen 2.864 N/A SER 163.A N THR 159.A O no hydrogen 3.004 N/A SER 163.A OG GLY 141.A O no hydrogen 2.809 N/A GLN 164.A N ILE 160.A O no hydrogen 2.877 N/A GLY 165.A N ASP 161.A O no hydrogen 2.915 N/A TYR 167.A N SER 163.A O no hydrogen 3.089 N/A TYR 167.A OH ASP 142.A OD1 no hydrogen 2.371 N/A GLN 168.A N GLN 164.A O no hydrogen 2.898 N/A GLN 168.A NE2 ASP 172.A OD1 no hydrogen 3.313 N/A GLU 169.A N GLY 165.A O no hydrogen 3.176 N/A ALA 170.A N ALA 166.A O no hydrogen 2.920 N/A PHE 171.A N TYR 167.A O no hydrogen 2.632 N/A ASP 172.A N GLN 168.A O no hydrogen 2.966 N/A ILE 173.A N GLU 169.A O no hydrogen 3.096 N/A SER 174.A N ALA 170.A O no hydrogen 2.857 N/A SER 174.A OG ALA 170.A O no hydrogen 3.104 N/A SER 174.A OG PHE 171.A O no hydrogen 2.616 N/A LYS 175.A N PHE 171.A O no hydrogen 2.981 N/A LYS 176.A N ASP 172.A O no hydrogen 2.992 N/A GLU 177.A N ILE 173.A O no hydrogen 2.919 N/A MET 178.A N SER 174.A O no hydrogen 2.966 N/A HIS 182.A N GLN 179.A O no hydrogen 3.004 N/A HIS 182.A NE2 GLU 131.A OE1 no hydrogen 3.255 N/A ILE 184.A N HIS 182.A ND1 no hydrogen 3.061 N/A ARG 185.A NH1 MET 178.A O no hydrogen 2.796 N/A LEU 186.A N HIS 182.A O no hydrogen 2.939 N/A GLY 187.A N PRO 183.A O no hydrogen 2.818 N/A LEU 188.A N ILE 184.A O no hydrogen 2.819 N/A ALA 189.A N ARG 185.A O no hydrogen 2.901 N/A LEU 190.A N LEU 186.A O no hydrogen 2.789 N/A ASN 191.A N GLY 187.A O no hydrogen 2.999 N/A ASN 191.A ND2 ASP 142.A OD1 no hydrogen 2.990 N/A ASN 191.A ND2 ASP 142.A OD2 no hydrogen 3.264 N/A PHE 192.A N LEU 188.A O no hydrogen 2.779 N/A SER 193.A N ALA 189.A O no hydrogen 2.931 N/A SER 193.A OG ALA 189.A O no hydrogen 3.525 N/A SER 193.A OG LEU 190.A O no hydrogen 2.757 N/A VAL 194.A N LEU 190.A O no hydrogen 3.171 N/A PHE 195.A N ASN 191.A O no hydrogen 2.896 N/A TYR 196.A N PHE 192.A O no hydrogen 2.951 N/A TYR 197.A N SER 193.A O no hydrogen 2.735 N/A GLU 198.A N VAL 194.A O no hydrogen 2.710 N/A ILE 199.A N PHE 195.A O no hydrogen 2.949 N/A LEU 200.A N PHE 195.A O no hydrogen 3.044 N/A ASN 201.A ND2 ASN 201.A O no hydrogen 2.858 N/A ASN 202.A N TYR 196.A O no hydrogen 3.055 N/A GLU 204.A N GLU 204.A OE1 no hydrogen 2.602 N/A ALA 206.A N ASN 202.A O no hydrogen 3.213 N/A CYS 207.A N PRO 203.A O no hydrogen 3.038 N/A CYS 207.A SG PRO 203.A O no hydrogen 3.447 N/A THR 208.A N GLU 204.A O no hydrogen 2.963 N/A THR 208.A OG1 GLU 204.A O no hydrogen 3.211 N/A LEU 209.A N LEU 205.A O no hydrogen 2.868 N/A ALA 210.A N ALA 206.A O no hydrogen 3.169 N/A LYS 211.A N CYS 207.A O no hydrogen 2.710 N/A THR 212.A N THR 208.A O no hydrogen 2.950 N/A THR 212.A OG1 THR 208.A O no hydrogen 2.530 N/A ALA 213.A N LEU 209.A O no hydrogen 3.336 N/A PHE 214.A N ALA 210.A O no hydrogen 2.910 N/A ASP 215.A N LYS 211.A O no hydrogen 2.816 N/A GLU 216.A N THR 212.A O no hydrogen 2.861 N/A ALA 217.A N ALA 213.A O no hydrogen 3.069 N/A ILE 218.A N PHE 214.A O no hydrogen 2.789 N/A ALA 219.A N ASP 215.A O no hydrogen 3.168 N/A THR 223.A OG1 GLU 220.A O no hydrogen 2.817 N/A LEU 224.A N LEU 221.A O no hydrogen 3.054 N/A SER 228.A OG ASN 225.A O no hydrogen 3.539 N/A SER 228.A OG ASN 225.A OD1 no hydrogen 2.251 N/A TYR 229.A N ASN 225.A O no hydrogen 3.086 N/A LYS 230.A N GLU 226.A O no hydrogen 2.992 N/A SER 232.A N SER 228.A O no hydrogen 3.137 N/A SER 232.A OG THR 181.A O no hydrogen 2.468 N/A THR 233.A N TYR 229.A O no hydrogen 2.887 N/A THR 233.A OG1 TYR 229.A O no hydrogen 3.091 N/A THR 233.A OG1 LYS 230.A O no hydrogen 3.350 N/A LEU 234.A N LYS 230.A O no hydrogen 3.182 N/A MET 236.A N SER 232.A O no hydrogen 3.118 N/A GLN 237.A N THR 233.A O no hydrogen 2.868 N/A LEU 239.A N ILE 235.A O no hydrogen 2.960 N/A ARG 240.A N MET 236.A O no hydrogen 2.835 N/A ASP 241.A N GLN 237.A O no hydrogen 2.846 N/A ASN 242.A N LEU 238.A O no hydrogen 2.957 N/A LEU 243.A N LEU 239.A O no hydrogen 3.063 N/A THR 244.A N ARG 240.A O no hydrogen 3.076 N/A THR 244.A OG1 ARG 240.A O no hydrogen 2.953 N/A LEU 245.A N ASP 241.A O no hydrogen 3.059 N/A TRP 246.A N ASN 242.A O no hydrogen 2.799 N/A THR 247.A N THR 244.A O no hydrogen 3.049 N/A THR 247.A OG1 LEU 243.A O no hydrogen 2.674 N/A THR 247.A OG1 THR 244.A O no hydrogen 2.980 N/A SER 248.A N LEU 245.A O no hydrogen 2.753 N/A