Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k75_D.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 6.A N ASP 2.A O no hydrogen 2.957 N/A ILE 7.A N THR 3.A O no hydrogen 2.871 N/A ASN 8.A N SER 4.A O no hydrogen 2.670 N/A PHE 9.A N SER 5.A O no hydrogen 3.308 N/A LEU 10.A N SER 6.A O no hydrogen 3.335 N/A THR 11.A N ILE 7.A O no hydrogen 3.301 N/A ARG 12.A N PHE 9.A O no hydrogen 3.010 N/A VAL 13.A N LEU 10.A O no hydrogen 3.014 N/A ILE 16.A N VAL 13.A O no hydrogen 3.378 N/A ALA 21.A N GLY 17.A O no hydrogen 2.826 N/A ARG 22.A N PRO 18.A O no hydrogen 3.012 N/A ARG 22.A N SER 19.A O.A no hydrogen 3.118 N/A ARG 22.A N SER 19.A O.B no hydrogen 3.230 N/A LYS 23.A N SER 19.A O.A no hydrogen 3.340 N/A LYS 23.A N SER 19.A O.B no hydrogen 3.379 N/A LEU 24.A N ALA 20.A O no hydrogen 3.327 N/A VAL 25.A N ALA 21.A O no hydrogen 3.346 N/A ASP 26.A N ARG 22.A O no hydrogen 3.152 N/A GLY 28.A N VAL 25.A O no hydrogen 2.599 N/A ILE 29.A N LEU 24.A O no hydrogen 2.585 N/A LYS 30.A N ASP 34.A OD2 no hydrogen 3.367 N/A THR 31.A N ASP 34.A OD2 no hydrogen 3.337 N/A ASP 34.A N THR 31.A OG1 no hydrogen 3.039 N/A LEU 35.A N THR 31.A O no hydrogen 2.918 N/A ARG 36.A N LEU 32.A O no hydrogen 2.945 N/A ARG 36.A NH2 LEU 50.A O no hydrogen 2.980 N/A LYS 37.A N ASP 34.A O no hydrogen 3.028 N/A ASN 38.A N LEU 35.A O no hydrogen 3.013 N/A ASN 38.A ND2 ASP 34.A O no hydrogen 2.793 N/A LYS 41.A N ASN 38.A O no hydrogen 2.983 N/A LEU 42.A N GLU 39.A O no hydrogen 2.948 N/A ASN 43.A N GLN 46.A OE1 no hydrogen 2.778 N/A HIS 44.A NE2 THR 137.A O no hydrogen 3.048 N/A GLN 46.A N ASN 43.A OD1 no hydrogen 2.730 N/A GLN 46.A NE2 GLY 15.A O no hydrogen 2.959 N/A ARG 47.A N ASN 43.A O no hydrogen 2.752 N/A ARG 47.A NE GLU 39.A O no hydrogen 3.039 N/A ARG 47.A NH2 LEU 42.A O no hydrogen 2.451 N/A ILE 48.A N HIS 44.A O no hydrogen 2.839 N/A GLY 49.A N HIS 45.A O no hydrogen 2.893 N/A LEU 50.A N GLN 46.A O no hydrogen 2.844 N/A LYS 51.A N ARG 47.A O no hydrogen 3.242 N/A LYS 51.A NZ TYR 52.A OH no hydrogen 3.272 N/A LYS 51.A NZ ASP 136.A OD1 no hydrogen 3.519 N/A TYR 52.A N ILE 48.A O no hydrogen 3.123 N/A TYR 52.A OH ASP 136.A OD1 no hydrogen 2.169 N/A PHE 53.A N LEU 50.A O no hydrogen 3.107 N/A PHE 56.A N TYR 52.A O no hydrogen 2.953 N/A GLU 57.A N GLU 54.A O no hydrogen 3.261 N/A ARG 59.A NH2 SER 97.A O no hydrogen 3.051 N/A ILE 60.A N SER 98.A O no hydrogen 2.926 N/A ARG 62.A N GLU 96.A O no hydrogen 2.822 N/A ARG 62.A NH1 PHE 91.A O no hydrogen 2.958 N/A ARG 62.A NH1 ALA 95.A O no hydrogen 3.141 N/A MET 65.A N PRO 61.A O no hydrogen 2.956 N/A LEU 66.A N ARG 62.A O no hydrogen 2.800 N/A GLN 67.A N GLU 63.A O no hydrogen 3.089 N/A MET 68.A N GLU 64.A O no hydrogen 2.776 N/A GLN 69.A N MET 65.A O no hydrogen 2.659 N/A ASP 70.A N LEU 66.A O no hydrogen 2.941 N/A ILE 71.A N GLN 67.A O no hydrogen 3.197 N/A VAL 72.A N MET 68.A O no hydrogen 3.111 N/A LEU 73.A N GLN 69.A O no hydrogen 2.846 N/A ASN 74.A N ASP 70.A O no hydrogen 2.891 N/A GLU 75.A N ILE 71.A O no hydrogen 3.278 N/A VAL 76.A N VAL 72.A O no hydrogen 3.103 N/A LYS 77.A N LEU 73.A O no hydrogen 3.112 N/A LYS 78.A N ASN 74.A O no hydrogen 2.818 N/A LYS 78.A NZ GLU 75.A OE2 no hydrogen 3.496 N/A LEU 79.A N GLU 75.A O no hydrogen 2.880 N/A ASP 80.A N VAL 76.A O no hydrogen 3.320 N/A GLU 82.A N ASP 80.A OD1 no hydrogen 3.009 N/A TYR 83.A N ASP 80.A O no hydrogen 3.187 N/A TYR 83.A OH LEU 120.A O no hydrogen 2.311 N/A ILE 84.A N THR 106.A O no hydrogen 2.978 N/A THR 86.A N LEU 104.A O no hydrogen 2.981 N/A THR 86.A OG1 TYR 175.A OH no hydrogen 2.743 N/A CYS 88.A N ASP 102.A O no hydrogen 2.709 N/A CYS 88.A SG THR 86.A O no hydrogen 3.224 N/A CYS 88.A SG THR 183.A OG1 no hydrogen 3.719 N/A GLY 89.A N PHE 182.A O no hydrogen 3.131 N/A ARG 92.A N GLY 89.A O no hydrogen 2.628 N/A ARG 92.A NH1 THR 183.A OG1 no hydrogen 2.667 N/A ARG 92.A NH1 GLU 226.A OE1 no hydrogen 2.879 N/A ARG 92.A NH2 GLU 226.A OE2 no hydrogen 2.753 N/A ARG 93.A NH1 THR 183.A O no hydrogen 2.838 N/A GLY 94.A N PHE 91.A O no hydrogen 2.847 N/A ALA 95.A N SER 90.A O no hydrogen 3.039 N/A SER 98.A N ILE 60.A O no hydrogen 2.787 N/A MET 101.A N ARG 164.A O no hydrogen 3.167 N/A VAL 103.A N ASP 166.A O no hydrogen 2.865 N/A LEU 104.A N THR 86.A O no hydrogen 3.233 N/A LEU 105.A N ARG 168.A O.A no hydrogen 2.591 N/A LEU 105.A N ARG 168.A O.B no hydrogen 2.599 N/A THR 106.A N ILE 84.A O no hydrogen 3.055 N/A THR 106.A OG1 ILE 170.A O no hydrogen 2.458 N/A HIS 107.A NE2 ASP 80.A OD2 no hydrogen 2.740 N/A ASN 109.A N HIS 107.A ND1 no hydrogen 3.037 N/A PHE 110.A N HIS 107.A O no hydrogen 2.962 N/A THR 111.A N SER 114.A OG no hydrogen 2.821 N/A SER 112.A N ASP 173.A OD2 no hydrogen 3.065 N/A SER 112.A OG ASP 173.A OD1 no hydrogen 2.971 N/A SER 112.A OG ASP 173.A OD2 no hydrogen 3.508 N/A GLU 113.A N THR 111.A OG1 no hydrogen 3.251 N/A SER 114.A N THR 111.A O no hydrogen 3.262 N/A SER 114.A N THR 111.A OG1 no hydrogen 3.112 N/A SER 114.A OG THR 111.A O no hydrogen 2.686 N/A SER 115.A OG LYS 116.A O no hydrogen 3.374 N/A LEU 120.A N GLN 117.A O no hydrogen 2.845 N/A LEU 121.A N PRO 118.A O no hydrogen 2.954 N/A HIS 122.A N PRO 118.A O no hydrogen 2.808 N/A ARG 123.A N LYS 119.A O no hydrogen 2.920 N/A ARG 123.A NH2 LEU 79.A O no hydrogen 3.093 N/A VAL 125.A N LEU 121.A O no hydrogen 2.958 N/A GLU 126.A N HIS 122.A O no hydrogen 2.752 N/A GLN 127.A N ARG 123.A O no hydrogen 3.394 N/A LEU 128.A N VAL 124.A O no hydrogen 3.197 N/A GLN 129.A N VAL 125.A O no hydrogen 3.141 N/A GLN 129.A N GLU 126.A O no hydrogen 3.261 N/A LYS 130.A N GLU 126.A O no hydrogen 3.053 N/A LYS 130.A NZ GLN 127.A OE1 no hydrogen 3.182 N/A VAL 131.A N GLN 127.A O no hydrogen 3.038 N/A ARG 132.A N GLN 129.A O no hydrogen 2.965 N/A PHE 133.A N LEU 128.A O no hydrogen 2.871 N/A ILE 134.A N LEU 128.A O no hydrogen 3.097 N/A THR 135.A OG1 ASP 136.A OD1 no hydrogen 3.119 N/A THR 135.A OG1 HIS 162.A ND1 no hydrogen 3.408 N/A ASP 136.A N VAL 148.A O no hydrogen 3.324 N/A LEU 138.A N MET 146.A O no hydrogen 2.894 N/A SER 139.A N MET 146.A O no hydrogen 2.913 N/A GLY 141.A N LYS 144.A O no hydrogen 3.029 N/A PHE 145.A N ILE 167.A O no hydrogen 2.780 N/A MET 146.A N SER 139.A O no hydrogen 2.895 N/A GLY 147.A N ILE 165.A O no hydrogen 3.095 N/A VAL 148.A N ASP 136.A O no hydrogen 2.751 N/A CYS 149.A N ARG 163.A O no hydrogen 3.135 N/A CYS 149.A SG ARG 163.A O no hydrogen 3.881 N/A GLN 150.A N PHE 133.A O no hydrogen 2.924 N/A GLN 150.A NE2 TYR 160.A O no hydrogen 2.490 N/A ASN 155.A N GLU 154.A OE2 no hydrogen 3.188 N/A ASN 155.A N ASN 155.A OD1 no hydrogen 2.334 N/A ASN 158.A N GLU 157.A OE1 no hydrogen 2.571 N/A HIS 162.A N ASP 55.A OD2 no hydrogen 3.016 N/A ARG 163.A N CYS 149.A O no hydrogen 2.999 N/A ARG 163.A NH1 ARG 59.A O no hydrogen 3.088 N/A ARG 163.A NH2 GLU 64.A OE1 no hydrogen 3.098 N/A ARG 164.A NH1 GLY 147.A O no hydrogen 3.360 N/A ARG 164.A NH1 ILE 165.A O no hydrogen 3.158 N/A ARG 164.A NH1 ASP 166.A OD1 no hydrogen 3.230 N/A ARG 164.A NH2 ASP 166.A OD1 no hydrogen 3.080 N/A ILE 165.A N GLY 147.A O no hydrogen 2.956 N/A ASP 166.A N MET 101.A O no hydrogen 2.958 N/A ILE 167.A N PHE 145.A O no hydrogen 3.007 N/A ARG 168.A N.A VAL 103.A O no hydrogen 2.897 N/A ARG 168.A N.B VAL 103.A O no hydrogen 2.898 N/A ARG 168.A NH1.B ASP 102.A OD2 no hydrogen 2.908 N/A LEU 169.A N THR 143.A O no hydrogen 2.529 N/A ILE 170.A N LEU 105.A O no hydrogen 2.773 N/A LYS 172.A N PHE 110.A O no hydrogen 3.058 N/A GLN 174.A N PRO 171.A O no hydrogen 2.950 N/A TYR 175.A N LYS 172.A O no hydrogen 3.157 N/A TYR 175.A OH THR 86.A OG1 no hydrogen 2.743 N/A TYR 175.A OH LEU 104.A O no hydrogen 3.163 N/A CYS 177.A N GLN 174.A O no hydrogen 3.305 N/A GLY 178.A N GLN 174.A O no hydrogen 3.096 N/A VAL 179.A N TYR 175.A O no hydrogen 2.851 N/A LEU 180.A N TYR 176.A O no hydrogen 3.221 N/A TYR 181.A N CYS 177.A O no hydrogen 3.087 N/A PHE 182.A N GLY 178.A O no hydrogen 2.790 N/A THR 183.A N VAL 179.A O no hydrogen 2.732 N/A THR 183.A OG1 VAL 179.A O no hydrogen 2.675 N/A GLY 184.A N LEU 180.A O no hydrogen 2.787 N/A SER 185.A OG SER 244.A O no hydrogen 3.153 N/A PHE 188.A N SER 185.A OG no hydrogen 2.955 N/A ASN 189.A N SER 185.A O no hydrogen 2.875 N/A ASN 189.A ND2 TYR 181.A O no hydrogen 2.958 N/A LYS 190.A N ASP 186.A O no hydrogen 3.075 N/A ASN 191.A N ILE 187.A O no hydrogen 2.853 N/A MET 192.A N PHE 188.A O no hydrogen 2.795 N/A ARG 193.A N ASN 189.A O no hydrogen 3.074 N/A ALA 194.A N LYS 190.A O no hydrogen 3.182 N/A HIS 195.A N ASN 191.A O no hydrogen 3.177 N/A ALA 196.A N MET 192.A O no hydrogen 2.836 N/A LEU 197.A N ARG 193.A O no hydrogen 3.096 N/A GLU 198.A N ALA 194.A O no hydrogen 3.098 N/A LYS 199.A N HIS 195.A O no hydrogen 3.000 N/A GLY 200.A N LEU 197.A O no hydrogen 3.288 N/A PHE 201.A N ALA 196.A O no hydrogen 2.850 N/A THR 202.A N ARG 209.A O no hydrogen 2.853 N/A ASN 204.A N THR 207.A O no hydrogen 2.955 N/A TYR 206.A N ASN 204.A OD1 no hydrogen 2.783 N/A THR 207.A N ASN 204.A OD1 no hydrogen 2.497 N/A THR 207.A OG1 ASN 204.A OD1 no hydrogen 3.188 N/A ARG 209.A N THR 202.A O no hydrogen 3.082 N/A ARG 209.A NE GLY 218.A O no hydrogen 3.496 N/A LEU 211.A N GLY 200.A O no hydrogen 3.270 N/A GLY 212.A N VAL 216.A O no hydrogen 3.075 N/A GLY 215.A N GLY 212.A O no hydrogen 2.712 N/A GLY 218.A N PRO 210.A O no hydrogen 2.681 N/A LEU 221.A N ILE 208.A O no hydrogen 2.998 N/A ASP 224.A N ASP 228.A OD2 no hydrogen 2.608 N/A SER 225.A OG ASP 228.A OD1 no hydrogen 3.362 N/A GLN 227.A NE2.A ASP 231.A OD1 no hydrogen 2.630 N/A GLN 227.A NE2.B SER 225.A OG no hydrogen 3.357 N/A ASP 228.A N SER 225.A OG no hydrogen 3.305 N/A PHE 230.A N GLU 226.A O no hydrogen 3.149 N/A ASP 231.A N GLN 227.A O.A no hydrogen 2.749 N/A ASP 231.A N GLN 227.A O.B no hydrogen 2.759 N/A TYR 232.A N ASP 228.A O no hydrogen 2.978 N/A TYR 232.A OH PRO 222.A O no hydrogen 2.627 N/A ILE 233.A N ILE 229.A O no hydrogen 3.407 N/A GLN 234.A N ASP 231.A O no hydrogen 2.698 N/A TRP 235.A N PHE 230.A O no hydrogen 3.172 N/A TYR 237.A OH GLU 239.A OE1 no hydrogen 3.313 N/A ARG 238.A NE ARG 236.A O no hydrogen 3.236 N/A LYS 241.A NZ.B ARG 92.A O no hydrogen 3.096 N/A ASP 242.A N GLU 239.A O no hydrogen 2.847 N/A ARG 243.A N PRO 240.A O no hydrogen 2.948 N/A ARG 243.A NE ARG 238.A O no hydrogen 3.084 N/A ARG 243.A NH1 GLU 226.A OE1 no hydrogen 2.966 N/A ARG 243.A NH2 GLU 226.A OE2 no hydrogen 3.007 N/A ARG 243.A NH2 ARG 238.A O no hydrogen 2.887 N/A SER 244.A OG HIS 246.A O no hydrogen 3.205 N/A HIS 246.A N SER 244.A OG no hydrogen 3.148 N/A