Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1gxs_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 1.A N GLN 1.A OE1 no hydrogen 3.001 N/A GLN 1.A N GLU 3.A OE1 no hydrogen 3.210 N/A GLN 1.A N ASP 4.A OD2 no hydrogen 3.467 N/A GLN 1.A NE2 GLU 139.A O no hydrogen 3.603 N/A GLU 3.A N GLU 3.A OE2 no hydrogen 2.949 N/A ASP 4.A N GLN 1.A O no hydrogen 3.215 N/A ARG 6.A N GLU 3.A O no hydrogen 3.295 N/A ARG 6.A NH1 TYR 22.A OH no hydrogen 2.572 N/A ILE 7.A N MET 21.A O no hydrogen 2.988 N/A GLN 13.A N LEU 10.A O no hydrogen 3.297 N/A ASN 15.A ND2 ASN 15.A O no hydrogen 2.876 N/A TYR 22.A N PHE 40.A O no hydrogen 3.153 N/A GLY 23.A N ASP 5.A O no hydrogen 2.940 N/A GLY 24.A N TYR 38.A O no hydrogen 3.247 N/A TYR 25.A OH PHE 110.A O no hydrogen 2.831 N/A VAL 26.A N LEU 36.A O no hydrogen 3.041 N/A ILE 28.A N ARG 34.A O no hydrogen 2.949 N/A ASP 29.A N ARG 34.A O no hydrogen 3.212 N/A ASN 32.A N ASP 29.A OD2 no hydrogen 3.371 N/A ASN 32.A ND2 ASP 118.A OD1 no hydrogen 3.088 N/A ASN 32.A ND2 ASP 118.A OD2 no hydrogen 3.464 N/A GLY 33.A N ASP 29.A O no hydrogen 3.170 N/A ARG 34.A N ASP 29.A O no hydrogen 3.070 N/A ARG 34.A NE ASP 129.A OD2 no hydrogen 3.132 N/A ARG 34.A NH1 ASP 29.A OD1 no hydrogen 3.048 N/A ARG 34.A NH1 ASP 118.A OD2 no hydrogen 2.949 N/A ARG 34.A NH2 ASP 129.A OD1 no hydrogen 3.259 N/A ALA 35.A N TYR 112.A O no hydrogen 2.993 N/A LEU 36.A N VAL 26.A O no hydrogen 3.040 N/A TYR 37.A N SER 111.A OG no hydrogen 2.810 N/A TYR 38.A N GLY 24.A O no hydrogen 3.086 N/A TYR 38.A OH ASP 5.A OD2 no hydrogen 2.796 N/A TRP 39.A N PHE 101.A O no hydrogen 2.881 N/A PHE 40.A N TYR 22.A O no hydrogen 2.896 N/A GLN 41.A N ILE 99.A O no hydrogen 2.861 N/A GLU 42.A N GLY 20.A O no hydrogen 3.054 N/A ALA 43.A N ASN 98.A OD1 no hydrogen 2.831 N/A ASP 44.A N ASN 94.A O no hydrogen 2.718 N/A ALA 50.A N ASP 47.A O no hydrogen 2.949 N/A ALA 51.A N PRO 48.A O no hydrogen 3.117 N/A LEU 53.A N GLU 148.A O no hydrogen 2.876 N/A VAL 54.A N ASN 98.A O no hydrogen 2.863 N/A LEU 55.A N TYR 150.A O no hydrogen 3.069 N/A TRP 56.A N LEU 100.A O no hydrogen 2.933 N/A TRP 56.A NE1 ASN 58.A OD1 no hydrogen 3.138 N/A LEU 57.A N ALA 152.A O no hydrogen 3.117 N/A ASN 58.A N SER 65.A OG no hydrogen 2.957 N/A ASN 58.A ND2 GLU 73.A OE1 no hydrogen 3.276 N/A CYS 63.A N GLY 59.A O no hydrogen 2.982 N/A SER 64.A OG GLU 103.A OE1 no hydrogen 2.720 N/A SER 65.A OG ALA 102.A O no hydrogen 2.857 N/A GLY 67.A N SER 64.A OG no hydrogen 2.862 N/A LEU 68.A N SER 64.A O no hydrogen 2.972 N/A GLY 69.A N ASN 58.A OD1 no hydrogen 2.870 N/A ALA 70.A N SER 65.A O no hydrogen 2.899 N/A MET 71.A N ILE 66.A O no hydrogen 3.005 N/A GLN 72.A N LEU 68.A O no hydrogen 2.839 N/A GLU 73.A N LEU 68.A O no hydrogen 3.173 N/A LEU 74.A N GLY 69.A O no hydrogen 3.065 N/A ALA 76.A N GLN 41.A OE1 no hydrogen 2.966 N/A ARG 78.A N LEU 87.A O no hydrogen 2.912 N/A HIS 80.A N SER 85.A O no hydrogen 2.809 N/A THR 81.A OG1 HIS 80.A NE2 no hydrogen 3.253 N/A ASN 82.A ND2 SER 85.A OG no hydrogen 3.029 N/A GLY 83.A N HIS 80.A O no hydrogen 2.891 N/A GLU 84.A N ASN 82.A OD1 no hydrogen 3.101 N/A SER 85.A N ASN 82.A OD1 no hydrogen 3.010 N/A LEU 86.A N GLY 12.A O no hydrogen 2.860 N/A LEU 87.A N ARG 78.A O no hydrogen 2.977 N/A ASN 89.A N ALA 76.A O no hydrogen 2.844 N/A ASN 89.A ND2 GLY 75.A O no hydrogen 3.346 N/A GLU 90.A N GLU 90.A OE2 no hydrogen 3.082 N/A TYR 91.A N ASN 89.A OD1 no hydrogen 3.080 N/A ALA 92.A N ASN 89.A O no hydrogen 2.938 N/A TRP 93.A N LEU 74.A O no hydrogen 3.048 N/A ASN 94.A ND2 GLU 42.A O no hydrogen 2.906 N/A LYS 95.A N ALA 92.A O no hydrogen 3.266 N/A LYS 95.A NZ GLU 90.A O no hydrogen 3.320 N/A ALA 96.A N TRP 93.A O no hydrogen 3.215 N/A ASN 98.A N PRO 52.A O no hydrogen 3.051 N/A ASN 98.A ND2 PRO 48.A O no hydrogen 3.361 N/A ASN 98.A ND2 ALA 51.A O no hydrogen 3.427 N/A ASN 98.A ND2 PRO 52.A O no hydrogen 3.229 N/A ILE 99.A N GLN 41.A O no hydrogen 2.793 N/A LEU 100.A N VAL 54.A O no hydrogen 2.874 N/A PHE 101.A N TRP 39.A O no hydrogen 2.810 N/A GLU 103.A N TYR 37.A O no hydrogen 3.102 N/A SER 104.A OG THR 130.A OG1 no hydrogen 2.962 N/A GLY 107.A N SER 111.A O no hydrogen 2.814 N/A VAL 108.A N PRO 105.A O no hydrogen 3.147 N/A PHE 110.A N GLU 103.A OE2 no hydrogen 2.985 N/A SER 111.A N VAL 108.A O no hydrogen 3.064 N/A SER 111.A OG GLU 103.A O no hydrogen 2.837 N/A TYR 112.A N ALA 35.A O no hydrogen 3.061 N/A SER 113.A OG THR 115.A O no hydrogen 3.458 N/A SER 113.A OG ASP 118.A OD2 no hydrogen 2.520 N/A ASN 114.A N GLY 33.A O no hydrogen 2.902 N/A THR 115.A N SER 113.A OG no hydrogen 3.204 N/A THR 115.A OG1 ASN 32.A O no hydrogen 2.835 N/A ASP 118.A N THR 115.A O no hydrogen 2.973 N/A LEU 119.A N SER 116.A O no hydrogen 3.051 N/A SER 120.A N SER 117.A O no hydrogen 3.196 N/A LYS 125.A NZ ASP 129.A OD1 no hydrogen 3.372 N/A LYS 125.A NZ ASP 129.A OD2 no hydrogen 3.133 N/A MET 126.A N GLY 122.A O no hydrogen 2.896 N/A ALA 127.A N ASP 123.A O no hydrogen 3.262 N/A GLN 128.A N ASP 124.A O no hydrogen 3.084 N/A ASP 129.A N LYS 125.A O no hydrogen 2.939 N/A THR 130.A N MET 126.A O no hydrogen 2.939 N/A THR 130.A OG1 SER 104.A OG no hydrogen 2.962 N/A THR 130.A OG1 MET 126.A O no hydrogen 2.912 N/A TYR 131.A N ALA 127.A O no hydrogen 2.930 N/A TYR 131.A OH SER 173.A OG no hydrogen 2.700 N/A THR 132.A N GLN 128.A O no hydrogen 3.043 N/A THR 132.A OG1 GLN 128.A O no hydrogen 2.985 N/A PHE 133.A N ASP 129.A O no hydrogen 3.092 N/A LEU 134.A N THR 130.A O no hydrogen 3.045 N/A VAL 135.A N TYR 131.A O no hydrogen 3.030 N/A LYS 136.A N THR 132.A O no hydrogen 3.313 N/A TRP 137.A N PHE 133.A O no hydrogen 2.823 N/A PHE 138.A N LEU 134.A O no hydrogen 3.038 N/A GLU 139.A N VAL 135.A O no hydrogen 3.229 N/A ARG 140.A N LYS 136.A O no hydrogen 3.346 N/A ARG 140.A NH1 ASP 5.A OD2 no hydrogen 2.715 N/A ARG 140.A NH1 TYR 25.A O no hydrogen 3.026 N/A ARG 140.A NH2 TYR 25.A O no hydrogen 3.029 N/A PHE 141.A N TRP 137.A O no hydrogen 2.871 N/A PHE 141.A N PHE 138.A O no hydrogen 3.225 N/A TYR 144.A N PHE 141.A O no hydrogen 3.175 N/A TYR 144.A OH GLU 42.A OE2 no hydrogen 2.709 N/A ASN 145.A N PRO 142.A O no hydrogen 2.958 N/A ASN 145.A ND2 PHE 138.A O no hydrogen 3.328 N/A TYR 146.A N PHE 175.A O no hydrogen 2.830 N/A ARG 147.A N TYR 144.A O no hydrogen 3.280 N/A ARG 147.A NE ALA 51.A O no hydrogen 3.172 N/A PHE 149.A N ASN 177.A O no hydrogen 2.838 N/A TYR 150.A N LEU 53.A O no hydrogen 3.010 N/A TYR 150.A OH GLU 148.A OE2 no hydrogen 3.016 N/A ILE 151.A N GLY 180.A O no hydrogen 3.153 N/A ALA 152.A N LEU 55.A O no hydrogen 2.951 N/A GLY 153.A N LEU 182.A O no hydrogen 2.971 N/A GLU 154.A N LEU 57.A O no hydrogen 3.030 N/A HIS 157.A ND1 ASP 123.A OD2 no hydrogen 2.890 N/A PHE 158.A N SER 155.A OG no hydrogen 2.856 N/A GLN 161.A N HIS 157.A O no hydrogen 3.163 N/A LEU 162.A N PHE 158.A O no hydrogen 2.997 N/A SER 163.A N ILE 159.A O no hydrogen 3.178 N/A SER 163.A OG ILE 159.A O no hydrogen 2.765 N/A GLN 164.A N PRO 160.A O no hydrogen 3.096 N/A VAL 165.A N GLN 161.A O no hydrogen 3.227 N/A VAL 166.A N LEU 162.A O no hydrogen 2.965 N/A TYR 167.A N SER 163.A O no hydrogen 3.068 N/A ARG 168.A N GLN 164.A O no hydrogen 2.960 N/A ASN 169.A N VAL 165.A O no hydrogen 3.100 N/A ASN 169.A ND2 VAL 165.A O no hydrogen 3.061 N/A ARG 170.A N TYR 167.A O no hydrogen 3.132 N/A ARG 170.A NH1 TYR 167.A O no hydrogen 2.915 N/A ASN 172.A N ASN 169.A O no hydrogen 2.855 N/A ASN 172.A ND2 ASN 169.A OD1 no hydrogen 2.992 N/A SER 173.A N ASN 169.A O no hydrogen 3.052 N/A SER 173.A OG TYR 131.A OH no hydrogen 2.700 N/A SER 173.A OG ASN 169.A O no hydrogen 3.439 N/A ILE 176.A N SER 173.A O no hydrogen 3.223 N/A ASN 177.A ND2 TYR 146.A O no hydrogen 2.771 N/A PHE 178.A N ILE 176.A O no hydrogen 3.018 N/A GLN 179.A N PHE 149.A O no hydrogen 2.771 N/A GLN 179.A NE2 ASN 177.A O no hydrogen 3.429 N/A GLN 179.A NE2 ASN 177.A OD1 no hydrogen 3.123 N/A LEU 182.A N ILE 151.A O no hydrogen 2.862 N/A SER 184.A N GLY 153.A O no hydrogen 2.970 N/A SER 184.A OG SER 185.A OG no hydrogen 3.030 N/A SER 185.A OG SER 184.A OG no hydrogen 3.030 N/A THR 188.A N ASP 193.A OD2 no hydrogen 2.785 N/A THR 188.A OG1 GLY 186.A O no hydrogen 3.269 N/A ASN 189.A N ASP 193.A OD2 no hydrogen 3.140 N/A GLU 192.A N ASN 189.A OD1 no hydrogen 3.125 N/A ASP 193.A N ASN 189.A O no hydrogen 2.982 N/A MET 194.A N ASP 190.A O no hydrogen 3.187 N/A ILE 195.A N HIS 191.A O no hydrogen 3.309 N/A GLY 196.A N GLU 192.A O no hydrogen 3.212 N/A MET 197.A N ASP 193.A O no hydrogen 3.098 N/A PHE 198.A N MET 194.A O no hydrogen 3.245 N/A GLU 199.A N ILE 195.A O no hydrogen 3.054 N/A SER 200.A N GLY 196.A O no hydrogen 2.914 N/A SER 200.A OG HIS 204.A ND1 no hydrogen 3.208 N/A TRP 201.A N MET 197.A O no hydrogen 3.063 N/A TRP 202.A N PHE 198.A O no hydrogen 3.287 N/A TRP 202.A NE1 ASP 209.A OD1 no hydrogen 3.203 N/A HIS 203.A N GLU 199.A O no hydrogen 2.996 N/A HIS 204.A N SER 200.A O no hydrogen 2.947 N/A HIS 204.A N TRP 201.A O no hydrogen 3.325 N/A HIS 204.A ND1 SER 200.A O no hydrogen 2.721 N/A GLY 205.A N TRP 202.A O no hydrogen 2.864 N/A LEU 206.A N TRP 201.A O no hydrogen 2.913 N/A SER 208.A N GLU 241.A OE1 no hydrogen 3.241 N/A SER 208.A OG GLU 210.A OE2 no hydrogen 3.347 N/A SER 208.A OG THR 211.A OG1 no hydrogen 2.876 N/A SER 208.A OG GLU 241.A OE2 no hydrogen 2.965 N/A THR 211.A N SER 208.A OG no hydrogen 3.025 N/A THR 211.A OG1 SER 208.A OG no hydrogen 2.876 N/A THR 211.A OG1 GLU 241.A OE1 no hydrogen 2.867 N/A THR 211.A OG1 GLU 241.A OE2 no hydrogen 2.834 N/A ARG 212.A N SER 208.A O no hydrogen 3.163 N/A ARG 212.A NH1 ASP 213.A OD1 no hydrogen 2.850 N/A ASP 213.A N ASP 209.A O no hydrogen 3.002 N/A SER 214.A N GLU 210.A O no hydrogen 3.086 N/A SER 214.A OG GLU 210.A O no hydrogen 3.168 N/A GLY 215.A N THR 211.A O no hydrogen 2.853 N/A LEU 216.A N ARG 212.A O no hydrogen 3.047 N/A LYS 217.A N ASP 213.A O no hydrogen 3.244 N/A LYS 217.A N SER 214.A O no hydrogen 2.986 N/A VAL 218.A N SER 214.A O no hydrogen 2.889 N/A CYS 219.A N GLY 215.A O no hydrogen 2.953 N/A CYS 219.A SG CYS 231.A O no hydrogen 3.865 N/A THR 222.A N CYS 219.A O no hydrogen 3.001 N/A HIS 226.A N SER 223.A OG no hydrogen 3.160 N/A GLU 230.A N GLU 230.A OE2 no hydrogen 2.786 N/A CYS 231.A N THR 228.A OG1 no hydrogen 3.419 N/A THR 232.A N THR 228.A O no hydrogen 3.075 N/A THR 232.A OG1 THR 228.A O no hydrogen 2.903 N/A GLU 233.A N PRO 229.A O no hydrogen 3.252 N/A GLU 233.A N GLU 230.A O no hydrogen 3.353 N/A TRP 235.A N CYS 231.A O no hydrogen 2.987 N/A ASN 236.A N THR 232.A O no hydrogen 2.979 N/A LYS 237.A N GLU 233.A O no hydrogen 3.323 N/A LYS 237.A NZ GLU 233.A OE1 no hydrogen 3.216 N/A ALA 238.A N VAL 234.A O no hydrogen 2.899 N/A LEU 239.A N TRP 235.A O no hydrogen 3.098 N/A ALA 240.A N ASN 236.A O no hydrogen 3.165 N/A GLU 241.A N LYS 237.A O no hydrogen 2.927 N/A GLN 242.A N ALA 238.A O no hydrogen 3.222 N/A GLY 243.A N ALA 240.A O no hydrogen 3.222 N/A TYR 248.A N ASN 246.A OD1 no hydrogen 2.978 N/A TYR 248.A OH PHE 266.A O no hydrogen 2.696 N/A THR 249.A N ASN 246.A O no hydrogen 3.159 N/A THR 249.A OG1 THR 252.A OG1 no hydrogen 2.676 N/A THR 252.A N THR 249.A O no hydrogen 3.419 N/A THR 252.A OG1 THR 249.A O no hydrogen 2.745 N/A THR 252.A OG1 THR 249.A OG1 no hydrogen 2.676 N/A THR 254.A OG1 ASN 244.A O no hydrogen 3.544 N/A SER 260.A N GLU 258.A O no hydrogen 2.731 N/A SER 260.A OG TYR 262.A O no hydrogen 3.319 N/A TYR 262.A N SER 260.A OG no hydrogen 3.101 N/A GLN 263.A NE2 SER 260.A O no hydrogen 2.678 N/A ARG 264.A NH1 GLN 263.A O no hydrogen 3.138 N/A TRP 267.A N GLY 60.A O no hydrogen 2.985 N/A