Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 8wtf_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A N LEU 85.A O no hydrogen 3.313 N/A PHE 4.A N PHE 87.A O no hydrogen 2.998 N/A SER 5.A N GLU 8.A OE2 no hydrogen 2.672 N/A LEU 9.A N SER 5.A O no hydrogen 3.446 N/A LYS 10.A N PHE 6.A O no hydrogen 3.088 N/A ASN 11.A N TYR 7.A O no hydrogen 2.962 N/A VAL 12.A N GLU 8.A O no hydrogen 2.984 N/A THR 13.A OG1 LEU 9.A O no hydrogen 2.770 N/A THR 13.A OG1 LYS 10.A O no hydrogen 3.150 N/A ASN 14.A N ASN 11.A O no hydrogen 2.984 N/A ASN 14.A ND2 ASP 17.A OD2 no hydrogen 3.165 N/A ASN 15.A N LYS 10.A O no hydrogen 2.589 N/A PHE 16.A N LYS 10.A O no hydrogen 3.349 N/A PHE 16.A N THR 13.A OG1 no hydrogen 3.074 N/A ASP 17.A N THR 13.A O no hydrogen 3.067 N/A ARG 19.A N ASP 17.A OD1 no hydrogen 3.066 N/A ARG 19.A NE ASP 17.A OD1 no hydrogen 3.221 N/A ARG 19.A NE ASP 17.A OD2 no hydrogen 3.327 N/A ARG 19.A NH2 ASP 17.A OD2 no hydrogen 2.795 N/A GLY 24.A N ILE 21.A O no hydrogen 3.041 N/A GLY 25.A N PRO 20.A O no hydrogen 2.860 N/A ASN 26.A N ASP 17.A O no hydrogen 3.189 N/A ASN 26.A ND2 LYS 38.A O no hydrogen 3.035 N/A LYS 27.A N ARG 19.A O no hydrogen 3.183 N/A LYS 27.A NZ GLU 30.A OE1 no hydrogen 2.772 N/A MET 28.A N VAL 36.A O no hydrogen 2.934 N/A GLY 29.A N VAL 36.A O no hydrogen 3.426 N/A GLY 31.A N GLY 34.A O no hydrogen 2.964 N/A VAL 35.A N LYS 50.A O no hydrogen 3.178 N/A VAL 36.A N GLY 29.A O no hydrogen 2.936 N/A TYR 37.A N VAL 48.A O no hydrogen 2.738 N/A LYS 38.A N ASN 26.A O no hydrogen 2.761 N/A LYS 38.A NZ TYR 97.A OH no hydrogen 3.126 N/A GLY 39.A N VAL 46.A O no hydrogen 2.850 N/A TYR 40.A N VAL 12.A O no hydrogen 3.118 N/A VAL 41.A N THR 44.A O no hydrogen 3.018 N/A THR 44.A N VAL 41.A O no hydrogen 2.940 N/A THR 44.A OG1 VAL 41.A O no hydrogen 2.621 N/A VAL 46.A N GLY 39.A O no hydrogen 2.832 N/A ALA 47.A N TYR 95.A O no hydrogen 3.053 N/A VAL 48.A N TYR 37.A O no hydrogen 2.760 N/A LYS 49.A N LEU 93.A O no hydrogen 2.895 N/A LYS 49.A NZ TYR 95.A OH no hydrogen 3.467 N/A LYS 50.A N VAL 35.A O no hydrogen 2.964 N/A LEU 51.A N LEU 91.A O no hydrogen 3.052 N/A ALA 52.A N PHE 33.A O no hydrogen 3.143 N/A MET 54.A N GLY 32.A O no hydrogen 3.217 N/A MET 54.A N ALA 52.A O no hydrogen 3.089 N/A VAL 55.A N GLY 32.A O no hydrogen 3.169 N/A THR 58.A N GLU 61.A OE2 no hydrogen 3.102 N/A THR 58.A OG1 GLU 61.A OE2 no hydrogen 2.702 N/A LEU 62.A N THR 58.A O no hydrogen 3.235 N/A LYS 63.A N THR 59.A O no hydrogen 3.054 N/A LYS 63.A NZ ASP 67.A OD1 no hydrogen 3.231 N/A GLN 64.A N GLU 60.A O no hydrogen 3.140 N/A GLN 65.A N GLU 61.A O no hydrogen 3.355 N/A PHE 66.A N LEU 62.A O no hydrogen 2.981 N/A ASP 67.A N LYS 63.A O no hydrogen 3.101 N/A GLN 68.A N GLN 64.A O no hydrogen 2.971 N/A GLN 68.A NE2 ALA 166.A O no hydrogen 2.596 N/A GLU 69.A N GLN 65.A O no hydrogen 2.911 N/A ILE 70.A N PHE 66.A O no hydrogen 3.366 N/A LYS 71.A N ASP 67.A O no hydrogen 3.171 N/A VAL 72.A N GLN 68.A O no hydrogen 3.038 N/A MET 73.A N GLU 69.A O no hydrogen 2.955 N/A ALA 74.A N ILE 70.A O no hydrogen 3.150 N/A LYS 75.A N VAL 72.A O no hydrogen 2.989 N/A LYS 75.A NZ HIS 140.A NE2 no hydrogen 3.154 N/A CYS 76.A SG VAL 72.A O no hydrogen 3.386 N/A ASN 80.A N HIS 78.A ND1 no hydrogen 3.062 N/A ASN 80.A ND2 ALA 158.A O no hydrogen 2.991 N/A LEU 81.A N HIS 78.A O no hydrogen 3.019 N/A VAL 82.A N ILE 160.A O no hydrogen 3.020 N/A LEU 85.A N VAL 94.A O no hydrogen 2.768 N/A GLY 86.A N VAL 94.A O no hydrogen 3.239 N/A PHE 87.A N HIS 2.A O no hydrogen 3.190 N/A SER 88.A N CYS 92.A O no hydrogen 2.843 N/A SER 88.A OG PHE 4.A O no hydrogen 3.109 N/A CYS 92.A N SER 88.A O no hydrogen 2.867 N/A LEU 93.A N LYS 49.A O no hydrogen 2.988 N/A VAL 94.A N GLY 86.A O no hydrogen 2.884 N/A TYR 95.A N ALA 47.A O no hydrogen 2.853 N/A TYR 95.A OH GLU 69.A OE2 no hydrogen 2.671 N/A VAL 96.A N GLU 83.A O no hydrogen 3.127 N/A ASN 100.A N LEU 152.A O no hydrogen 3.119 N/A ASN 100.A ND2 ASP 153.A O no hydrogen 2.861 N/A GLY 101.A N MET 98.A O no hydrogen 3.187 N/A LEU 103.A N ILE 150.A O no hydrogen 2.798 N/A LEU 104.A N SER 147.A O no hydrogen 3.339 N/A ASP 105.A N SER 102.A OG no hydrogen 3.241 N/A ARG 106.A N SER 102.A O no hydrogen 3.261 N/A ARG 106.A NE THR 113.A OG1 no hydrogen 3.059 N/A ARG 106.A NH1 ASN 100.A O no hydrogen 3.091 N/A ARG 106.A NH2 LEU 110.A O no hydrogen 2.929 N/A ARG 106.A NH2 THR 113.A OG1 no hydrogen 3.214 N/A LEU 107.A N LEU 103.A O no hydrogen 2.838 N/A SER 108.A N LEU 104.A O no hydrogen 3.089 N/A SER 108.A OG LEU 104.A O no hydrogen 3.213 N/A SER 108.A OG ASP 105.A O no hydrogen 2.722 N/A CYS 109.A N ARG 106.A O no hydrogen 3.345 N/A CYS 109.A SG ARG 106.A O no hydrogen 4.003 N/A LEU 110.A N ASP 105.A O no hydrogen 2.962 N/A GLY 112.A N CYS 109.A O no hydrogen 3.267 N/A THR 113.A OG1 LEU 110.A O no hydrogen 3.291 N/A TRP 118.A N ASP 253.A OD1 no hydrogen 3.093 N/A HIS 119.A N ASP 253.A OD2 no hydrogen 3.469 N/A MET 120.A N SER 117.A OG no hydrogen 3.162 N/A ARG 121.A N SER 117.A O no hydrogen 3.071 N/A ARG 121.A NE LEU 116.A O no hydrogen 2.843 N/A ARG 121.A NH1 ILE 213.A O no hydrogen 2.874 N/A ARG 121.A NH1 ASP 248.A OD2 no hydrogen 3.059 N/A ARG 121.A NH2 LEU 116.A O no hydrogen 2.805 N/A ARG 121.A NH2 ASP 248.A OD2 no hydrogen 3.288 N/A CYS 122.A N TRP 118.A O no hydrogen 3.052 N/A CYS 122.A SG TRP 118.A O no hydrogen 3.429 N/A LYS 123.A N HIS 119.A O no hydrogen 3.144 N/A LYS 123.A NZ GLN 126.A OE1 no hydrogen 3.176 N/A ILE 124.A N MET 120.A O no hydrogen 3.014 N/A ALA 125.A N ARG 121.A O no hydrogen 3.032 N/A GLN 126.A N CYS 122.A O no hydrogen 3.036 N/A GLN 126.A NE2 LEU 287.A O no hydrogen 3.311 N/A GLY 127.A N LYS 123.A O no hydrogen 3.013 N/A ALA 128.A N ILE 124.A O no hydrogen 2.988 N/A ALA 129.A N ALA 125.A O no hydrogen 3.084 N/A ASN 130.A N GLN 126.A O no hydrogen 3.025 N/A GLY 131.A N GLY 127.A O no hydrogen 3.055 N/A ILE 132.A N ALA 128.A O no hydrogen 3.038 N/A ASN 133.A N ALA 129.A O no hydrogen 2.949 N/A ASN 133.A ND2 GLU 137.A OE2 no hydrogen 3.143 N/A PHE 134.A N ASN 130.A O no hydrogen 3.092 N/A LEU 135.A N GLY 131.A O no hydrogen 3.304 N/A HIS 136.A N ILE 132.A O no hydrogen 2.998 N/A HIS 136.A NE2 ASP 202.A OD2 no hydrogen 2.990 N/A GLU 137.A N ASN 133.A O no hydrogen 2.884 N/A ASN 138.A N PHE 134.A O no hydrogen 3.137 N/A ASN 138.A ND2 PHE 134.A O no hydrogen 2.699 N/A HIS 139.A N HIS 136.A O no hydrogen 3.082 N/A HIS 140.A N LEU 135.A O no hydrogen 2.817 N/A HIS 140.A ND1 ASN 138.A O no hydrogen 3.014 N/A ILE 141.A N ARG 167.A O no hydrogen 2.813 N/A HIS 142.A N ASP 202.A OD2 no hydrogen 2.951 N/A HIS 142.A NE2 SER 161.A O no hydrogen 2.966 N/A ARG 143.A N ASP 202.A OD1 no hydrogen 3.149 N/A ARG 143.A NH1 LEU 165.A O no hydrogen 2.637 N/A ASN 144.A N HIS 142.A ND1 no hydrogen 3.081 N/A LYS 146.A NZ THR 184.A OG1 no hydrogen 3.112 N/A SER 147.A OG TYR 187.A OH no hydrogen 3.399 N/A SER 147.A OG GLU 212.A OE1 no hydrogen 2.851 N/A SER 147.A OG GLU 212.A OE2 no hydrogen 3.453 N/A ASN 149.A N LYS 146.A O no hydrogen 2.999 N/A ASN 149.A ND2 ASN 144.A O no hydrogen 2.868 N/A ASN 149.A ND2 ASP 162.A OD2 no hydrogen 3.192 N/A ILE 150.A N SER 147.A O no hydrogen 3.268 N/A LEU 151.A N LYS 159.A O no hydrogen 2.771 N/A LEU 152.A N GLY 101.A O no hydrogen 2.892 N/A ASP 153.A N THR 157.A O no hydrogen 3.362 N/A GLU 154.A N GLU 154.A OE1 no hydrogen 2.711 N/A ALA 155.A N ASP 153.A OD1 no hydrogen 3.002 N/A PHE 156.A N ASP 153.A O no hydrogen 3.047 N/A THR 157.A N ASP 153.A OD1 no hydrogen 2.891 N/A THR 157.A OG1 ASP 153.A OD1 no hydrogen 3.388 N/A LYS 159.A N LEU 151.A O no hydrogen 2.740 N/A LYS 159.A NZ GLU 79.A O no hydrogen 2.642 N/A ILE 160.A N ASN 80.A O no hydrogen 2.986 N/A SER 161.A N ASN 149.A O no hydrogen 2.970 N/A PHE 163.A N GLU 69.A OE1 no hydrogen 2.648 N/A ALA 166.A N PHE 163.A O no hydrogen 3.302 N/A ARG 167.A N ILE 141.A O no hydrogen 2.969 N/A ARG 167.A NH1 ALA 166.A O no hydrogen 3.446 N/A SER 169.A OG GLU 170.A O no hydrogen 3.545 N/A LYS 171.A N ILE 197.A O no hydrogen 3.029 N/A GLN 174.A NE2 PHE 172.A O no hydrogen 3.000 N/A MET 177.A N THR 175.A OG1 no hydrogen 3.127 N/A ARG 180.A NE GLU 61.A OE1 no hydrogen 3.141 N/A THR 184.A OG1 ASN 144.A OD1 no hydrogen 2.826 N/A TYR 187.A N THR 184.A O no hydrogen 3.048 N/A TYR 187.A OH SER 147.A OG no hydrogen 3.399 N/A TYR 187.A OH GLU 212.A OE1 no hydrogen 3.252 N/A TYR 187.A OH GLU 212.A OE2 no hydrogen 2.546 N/A MET 188.A N THR 185.A O no hydrogen 3.246 N/A GLU 191.A N GLU 191.A OE1 no hydrogen 2.994 N/A LEU 193.A N ALA 189.A O no hydrogen 3.035 N/A ARG 194.A N PRO 190.A O no hydrogen 3.327 N/A GLY 195.A N GLU 191.A O no hydrogen 3.157 N/A GLY 195.A N ALA 192.A O no hydrogen 3.196 N/A GLU 196.A N GLU 191.A O no hydrogen 2.935 N/A ILE 197.A N LYS 171.A O no hydrogen 2.885 N/A LYS 200.A N THR 198.A OG1 no hydrogen 3.312 N/A SER 201.A N THR 198.A O no hydrogen 3.204 N/A SER 201.A OG GLU 191.A OE2 no hydrogen 2.740 N/A ASP 202.A N PRO 199.A O no hydrogen 3.088 N/A SER 205.A N SER 201.A O no hydrogen 3.219 N/A SER 205.A OG TYR 187.A O no hydrogen 2.740 N/A SER 205.A OG SER 201.A O no hydrogen 3.363 N/A PHE 206.A N ASP 202.A O no hydrogen 3.032 N/A GLY 207.A N ILE 203.A O no hydrogen 3.017 N/A VAL 208.A N TYR 204.A O no hydrogen 3.204 N/A VAL 209.A N SER 205.A O no hydrogen 3.173 N/A LEU 210.A N PHE 206.A O no hydrogen 2.934 N/A LEU 211.A N GLY 207.A O no hydrogen 3.313 N/A GLU 212.A N VAL 208.A O no hydrogen 3.097 N/A ILE 213.A N VAL 209.A O no hydrogen 2.960 N/A ILE 214.A N LEU 210.A O no hydrogen 3.040 N/A THR 215.A N LEU 211.A O no hydrogen 2.952 N/A THR 215.A OG1 LEU 211.A O no hydrogen 2.725 N/A GLY 216.A N GLU 212.A O no hydrogen 2.676 N/A LEU 217.A N THR 215.A OG1 no hydrogen 3.278 N/A ASP 221.A N GLN 227.A O no hydrogen 2.974 N/A HIS 223.A N ASP 221.A OD1 no hydrogen 3.019 N/A ARG 224.A NE PRO 226.A O no hydrogen 3.046 N/A ARG 224.A NH1 PRO 218.A O no hydrogen 2.816 N/A ARG 224.A NH2 PRO 218.A O no hydrogen 3.011 N/A ARG 224.A NH2 GLN 227.A O no hydrogen 2.749 N/A GLN 227.A NE2 GLU 222.A O no hydrogen 2.894 N/A LEU 229.A N ALA 219.A O no hydrogen 2.900 N/A ASP 231.A N LEU 228.A O no hydrogen 3.416 N/A ILE 232.A N LEU 229.A O no hydrogen 3.199 N/A LYS 233.A N LEU 230.A O no hydrogen 3.409 N/A LYS 233.A NZ GLU 237.A OE2 no hydrogen 3.121 N/A GLU 234.A N ASP 231.A O no hydrogen 3.178 N/A GLU 235.A N ASP 231.A O no hydrogen 3.508 N/A ILE 236.A N ILE 232.A O no hydrogen 2.945 N/A GLU 237.A N LYS 233.A O no hydrogen 3.079 N/A ASP 238.A N GLU 234.A O no hydrogen 2.777 N/A GLU 239.A N ILE 236.A O no hydrogen 3.107 N/A GLU 240.A N GLU 235.A O no hydrogen 2.984 N/A LYS 241.A N GLU 235.A O no hydrogen 3.184 N/A LYS 241.A NZ GLU 240.A OE1 no hydrogen 3.500 N/A LYS 241.A NZ GLU 240.A OE2 no hydrogen 3.073 N/A THR 242.A N ASP 245.A OD2 no hydrogen 2.790 N/A THR 242.A OG1 GLU 244.A OE1 no hydrogen 3.269 N/A THR 242.A OG1 ASP 245.A OD2 no hydrogen 3.019 N/A GLU 244.A N GLU 244.A OE1 no hydrogen 2.747 N/A ASP 245.A N THR 242.A O no hydrogen 3.194 N/A TYR 246.A N ILE 243.A O no hydrogen 2.905 N/A TYR 246.A OH GLU 235.A OE1 no hydrogen 2.468 N/A ASP 248.A N ILE 214.A O no hydrogen 2.984 N/A LYS 250.A N ASP 248.A OD1 no hydrogen 2.994 N/A MET 251.A N ASP 248.A O no hydrogen 3.292 N/A SER 258.A OG ASP 255.A O no hydrogen 2.588 N/A SER 258.A OG ASP 255.A OD1 no hydrogen 2.601 N/A VAL 259.A N ASP 255.A O no hydrogen 3.117 N/A GLU 260.A N SER 256.A O no hydrogen 2.770 N/A ALA 261.A N THR 257.A O no hydrogen 2.920 N/A MET 262.A N SER 258.A O no hydrogen 3.084 N/A TYR 263.A N VAL 259.A O no hydrogen 2.967 N/A SER 264.A N GLU 260.A O no hydrogen 3.066 N/A VAL 265.A N ALA 261.A O no hydrogen 3.375 N/A ALA 266.A N MET 262.A O no hydrogen 2.966 N/A SER 267.A N TYR 263.A O no hydrogen 2.703 N/A GLN 268.A N SER 264.A O no hydrogen 3.141 N/A GLN 268.A NE2 SER 264.A OG no hydrogen 3.174 N/A CYS 269.A N VAL 265.A O no hydrogen 3.083 N/A CYS 269.A SG VAL 265.A O no hydrogen 3.307 N/A LEU 270.A N ALA 266.A O no hydrogen 3.114 N/A LEU 270.A N SER 267.A O no hydrogen 3.314 N/A LYS 274.A NZ GLU 196.A OE2 no hydrogen 2.649 N/A LYS 276.A N LYS 273.A O no hydrogen 3.081 N/A ARG 277.A NE HIS 271.A O no hydrogen 2.773 N/A ARG 277.A NH1 GLU 191.A OE2 no hydrogen 2.786 N/A ARG 277.A NH1 LYS 200.A O no hydrogen 2.931 N/A ARG 277.A NH2 GLU 191.A OE1 no hydrogen 2.992 N/A ARG 277.A NH2 HIS 271.A O no hydrogen 3.113 N/A LYS 281.A NZ ASN 133.A OD1 no hydrogen 3.329 N/A LYS 281.A NZ GLU 137.A OE2 no hydrogen 2.561 N/A LYS 282.A N ASP 279.A OD1 no hydrogen 3.205 N/A VAL 283.A N ASP 279.A O no hydrogen 3.215 N/A GLN 284.A N ILE 280.A O no hydrogen 2.915 N/A GLN 284.A NE2 ASN 130.A OD1 no hydrogen 2.682 N/A GLN 285.A N LYS 281.A O no hydrogen 3.144 N/A GLN 285.A NE2 GLU 289.A OE2 no hydrogen 3.252 N/A LEU 286.A N LYS 282.A O no hydrogen 3.067 N/A LEU 287.A N VAL 283.A O no hydrogen 3.049 N/A GLN 288.A N GLN 284.A O no hydrogen 3.083 N/A GLU 289.A N GLN 285.A O no hydrogen 3.186 N/A GLU 289.A N LEU 286.A O no hydrogen 3.275 N/A THR 291.A N LEU 287.A O no hydrogen 3.348 N/A THR 291.A OG1 LEU 287.A O no hydrogen 2.600 N/A