Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4gg7_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 6.A N VAL 3.A O no hydrogen 2.981 N/A VAL 7.A N GLN 4.A O no hydrogen 3.052 N/A ILE 8.A N ILE 79.A O no hydrogen 2.872 N/A SER 12.A N GLY 9.A O no hydrogen 2.872 N/A SER 12.A OG LEU 35.A O no hydrogen 3.129 N/A LEU 13.A N PRO 10.A O no hydrogen 3.160 N/A ILE 14.A N THR 33.A O no hydrogen 2.808 N/A HIS 16.A N HIS 31.A O no hydrogen 2.821 N/A HIS 16.A NE2 THR 33.A OG1 no hydrogen 2.731 N/A PHE 17.A N VAL 15.A O no hydrogen 3.052 N/A GLU 19.A N HIS 16.A O no hydrogen 2.870 N/A ILE 21.A N VAL 29.A O no hydrogen 2.831 N/A GLY 22.A N VAL 29.A O no hydrogen 3.382 N/A GLY 24.A N GLY 27.A O no hydrogen 3.080 N/A HIS 25.A N MET 163.A O no hydrogen 3.231 N/A PHE 26.A N ASP 162.A OD1 no hydrogen 3.313 N/A PHE 26.A N ASP 162.A OD2 no hydrogen 2.619 N/A GLY 27.A N GLY 24.A O no hydrogen 3.255 N/A VAL 29.A N GLY 22.A O no hydrogen 2.801 N/A TYR 30.A N VAL 46.A O no hydrogen 2.733 N/A HIS 31.A N GLU 19.A O no hydrogen 3.291 N/A GLY 32.A N CYS 44.A O no hydrogen 2.963 N/A THR 33.A N ILE 14.A O no hydrogen 2.695 N/A THR 33.A OG1 HIS 16.A NE2 no hydrogen 2.731 N/A LEU 34.A N ILE 42.A O no hydrogen 2.921 N/A LEU 35.A N SER 12.A O no hydrogen 3.000 N/A ASP 36.A N LYS 40.A O no hydrogen 2.886 N/A GLY 39.A N ASP 36.A O no hydrogen 3.122 N/A LYS 40.A N ASP 36.A OD1 no hydrogen 2.470 N/A ILE 42.A N LEU 34.A O no hydrogen 2.762 N/A HIS 43.A NE2 HIS 31.A NE2 no hydrogen 3.005 N/A CYS 44.A N GLY 32.A O no hydrogen 2.873 N/A ALA 45.A N LEU 91.A O no hydrogen 2.766 N/A VAL 46.A N TYR 30.A O no hydrogen 2.744 N/A LYS 47.A N VAL 89.A O no hydrogen 2.753 N/A LYS 47.A NZ ASP 162.A OD2 no hydrogen 2.968 N/A LYS 47.A NZ TYR 164.A OH no hydrogen 3.297 N/A SER 48.A N CYS 28.A O no hydrogen 2.935 N/A LEU 49.A N PRO 87.A O no hydrogen 3.192 N/A ARG 51.A NH1 HIS 25.A O no hydrogen 2.650 N/A VAL 55.A N ILE 52.A O no hydrogen 3.224 N/A PHE 58.A N VAL 55.A O no hydrogen 2.954 N/A LEU 59.A N VAL 55.A O no hydrogen 3.220 N/A THR 60.A N SER 56.A O no hydrogen 3.012 N/A THR 60.A OG1 SER 56.A O no hydrogen 2.757 N/A GLU 61.A N GLN 57.A O no hydrogen 2.901 N/A GLY 62.A N PHE 58.A O no hydrogen 2.966 N/A ILE 63.A N LEU 59.A O no hydrogen 3.413 N/A ILE 64.A N THR 60.A O no hydrogen 3.525 N/A MET 65.A N GLU 61.A O no hydrogen 3.073 N/A LYS 66.A N GLY 62.A O no hydrogen 2.931 N/A LYS 66.A NZ HIS 5.A O no hydrogen 3.303 N/A LYS 66.A NZ LEU 77.A O no hydrogen 3.450 N/A ASP 67.A N ILE 63.A O no hydrogen 3.251 N/A PHE 68.A N MET 65.A O no hydrogen 3.185 N/A SER 69.A N TYR 128.A OH no hydrogen 2.819 N/A ASN 72.A N HIS 70.A ND1 no hydrogen 2.839 N/A ASN 72.A ND2 GLN 121.A OE1 no hydrogen 2.964 N/A ASN 72.A ND2 VAL 152.A O no hydrogen 2.910 N/A VAL 73.A N HIS 70.A O no hydrogen 3.327 N/A LEU 74.A N VAL 154.A O no hydrogen 2.861 N/A LEU 77.A N VAL 90.A O no hydrogen 2.832 N/A GLY 78.A N VAL 90.A O no hydrogen 3.216 N/A ILE 79.A N VAL 6.A O no hydrogen 2.926 N/A CYS 80.A N LEU 88.A O no hydrogen 2.905 N/A CYS 80.A SG ILE 8.A O no hydrogen 3.606 N/A LEU 88.A N CYS 80.A O no hydrogen 3.010 N/A VAL 89.A N LYS 47.A O no hydrogen 2.815 N/A VAL 90.A N GLY 78.A O no hydrogen 2.845 N/A LEU 91.A N ALA 45.A O no hydrogen 3.020 N/A HIS 96.A N LEU 146.A O no hydrogen 3.055 N/A GLY 97.A N MET 94.A O no hydrogen 2.995 N/A LEU 99.A N CYS 144.A O no hydrogen 2.733 N/A ARG 100.A N ALA 141.A O no hydrogen 3.227 N/A ARG 100.A NH2 GLY 214.A O no hydrogen 3.286 N/A ASN 101.A N ASP 98.A OD2 no hydrogen 3.020 N/A ASN 101.A ND2 ASP 98.A OD1 no hydrogen 2.493 N/A PHE 102.A N ASP 98.A O no hydrogen 3.004 N/A ILE 103.A N LEU 99.A O no hydrogen 2.986 N/A ARG 104.A N ARG 100.A O no hydrogen 2.939 N/A ARG 104.A NH2 GLY 214.A O no hydrogen 2.718 N/A ASN 105.A N ASN 101.A O no hydrogen 3.254 N/A THR 107.A N ASN 105.A OD1 no hydrogen 2.881 N/A THR 107.A OG1 ASN 105.A OD1 no hydrogen 2.580 N/A HIS 108.A N ASN 105.A O no hydrogen 2.983 N/A HIS 108.A ND1 PHE 102.A O no hydrogen 2.828 N/A THR 111.A N ASP 114.A OD2 no hydrogen 2.804 N/A ASP 114.A N THR 111.A OG1 no hydrogen 2.838 N/A LEU 115.A N THR 111.A O no hydrogen 2.872 N/A ILE 116.A N VAL 112.A O no hydrogen 2.996 N/A GLY 117.A N LYS 113.A O no hydrogen 2.843 N/A PHE 118.A N ASP 114.A O no hydrogen 2.883 N/A GLY 119.A N LEU 115.A O no hydrogen 3.184 N/A LEU 120.A N ILE 116.A O no hydrogen 2.952 N/A GLN 121.A N GLY 117.A O no hydrogen 2.963 N/A GLN 121.A NE2 PHE 150.A O no hydrogen 2.960 N/A VAL 122.A N PHE 118.A O no hydrogen 3.075 N/A ALA 123.A N GLY 119.A O no hydrogen 3.048 N/A LYS 124.A N LEU 120.A O no hydrogen 2.958 N/A GLY 125.A N GLN 121.A O no hydrogen 2.945 N/A MET 126.A N VAL 122.A O no hydrogen 2.622 N/A LYS 127.A N ALA 123.A O no hydrogen 2.799 N/A LYS 127.A NZ SER 265.A OG no hydrogen 3.419 N/A TYR 128.A N LYS 124.A O no hydrogen 3.139 N/A LEU 129.A N GLY 125.A O no hydrogen 3.228 N/A ALA 130.A N MET 126.A O no hydrogen 2.943 N/A SER 131.A N LYS 127.A O no hydrogen 3.155 N/A SER 131.A OG TYR 128.A O no hydrogen 2.812 N/A LYS 132.A N TYR 128.A O no hydrogen 3.292 N/A LYS 132.A NZ TYR 128.A OH no hydrogen 3.523 N/A LYS 133.A N ALA 130.A O no hydrogen 2.961 N/A PHE 134.A N LEU 129.A O no hydrogen 2.832 N/A HIS 136.A N ASP 199.A OD2 no hydrogen 2.790 N/A HIS 136.A NE2 ALA 155.A O no hydrogen 2.786 N/A ARG 137.A N ASP 199.A OD1 no hydrogen 3.024 N/A ASP 138.A N HIS 136.A ND1 no hydrogen 3.191 N/A ALA 141.A N GLU 209.A OE1 no hydrogen 2.825 N/A ARG 142.A NE TYR 169.A OH no hydrogen 3.126 N/A ARG 142.A NH2 ASP 138.A OD1 no hydrogen 3.091 N/A ARG 142.A NH2 TYR 169.A OH no hydrogen 3.414 N/A ASN 143.A N ALA 140.A O no hydrogen 2.997 N/A ASN 143.A ND2 ASP 138.A O no hydrogen 2.799 N/A ASN 143.A ND2 ASP 138.A OD2 no hydrogen 2.783 N/A ASN 143.A ND2 TYR 169.A OH no hydrogen 3.389 N/A CYS 144.A N ALA 141.A O no hydrogen 3.306 N/A CYS 144.A SG ALA 140.A O no hydrogen 3.661 N/A MET 145.A N LYS 153.A O no hydrogen 2.768 N/A LEU 146.A N GLY 97.A O no hydrogen 3.096 N/A ASP 147.A N THR 151.A O no hydrogen 3.078 N/A LYS 149.A N ASP 147.A OD1 no hydrogen 2.984 N/A LYS 149.A NZ GLU 148.A OE1 no hydrogen 3.308 N/A PHE 150.A N ASP 147.A O no hydrogen 3.095 N/A THR 151.A N ASP 147.A OD1 no hydrogen 3.049 N/A VAL 152.A N GLN 121.A OE1 no hydrogen 2.855 N/A LYS 153.A N MET 145.A O no hydrogen 2.823 N/A LYS 153.A NZ PRO 71.A O no hydrogen 2.686 N/A VAL 154.A N ASN 72.A O no hydrogen 3.026 N/A ALA 155.A N ASN 143.A O no hydrogen 2.995 N/A ALA 160.A N PHE 157.A O no hydrogen 3.212 N/A ARG 161.A N GLY 158.A O no hydrogen 2.987 N/A ARG 161.A NH2 HIS 136.A O no hydrogen 2.489 N/A ASP 162.A N ASP 156.A OD1 no hydrogen 3.049 N/A MET 163.A N ASP 162.A OD1 no hydrogen 2.704 N/A TYR 164.A OH ALA 160.A O no hydrogen 3.045 N/A TYR 169.A N LYS 166.A O no hydrogen 3.022 N/A TYR 169.A OH ASP 138.A OD1 no hydrogen 3.196 N/A TYR 169.A OH ASP 138.A OD2 no hydrogen 2.254 N/A SER 170.A N LEU 179.A O no hydrogen 2.851 N/A HIS 172.A N ALA 177.A O no hydrogen 2.924 N/A LYS 174.A N HIS 172.A ND1 no hydrogen 3.307 N/A THR 175.A N HIS 172.A ND1 no hydrogen 2.981 N/A GLY 176.A N HIS 172.A O no hydrogen 3.165 N/A LYS 178.A NZ ASP 138.A OD2 no hydrogen 2.895 N/A LYS 178.A NZ ASP 156.A OD1 no hydrogen 3.259 N/A LYS 178.A NZ ASP 156.A OD2 no hydrogen 3.049 N/A LYS 178.A NZ ASP 162.A O no hydrogen 2.702 N/A LEU 179.A N SER 170.A O no hydrogen 2.566 N/A LYS 182.A NZ TYR 218.A O no hydrogen 3.023 N/A LYS 182.A NZ VAL 221.A O no hydrogen 3.259 N/A TRP 183.A N PRO 180.A O no hydrogen 2.941 N/A TRP 183.A NE1 GLU 209.A OE1 no hydrogen 2.926 N/A MET 184.A N VAL 181.A O no hydrogen 3.195 N/A GLU 187.A N GLU 187.A OE1 no hydrogen 2.706 N/A SER 188.A OG LYS 193.A O no hydrogen 2.677 N/A LEU 189.A N ALA 185.A O no hydrogen 3.017 N/A GLN 190.A N GLU 187.A O no hydrogen 3.117 N/A THR 191.A N GLU 187.A O no hydrogen 2.997 N/A THR 191.A OG1 GLU 187.A O no hydrogen 3.118 N/A GLN 192.A N SER 188.A O no hydrogen 2.946 N/A LYS 193.A N THR 191.A OG1 no hydrogen 3.079 N/A THR 195.A N SER 198.A OG no hydrogen 2.698 N/A LYS 197.A NZ ARG 261.A O no hydrogen 2.852 N/A LYS 197.A NZ PRO 262.A O no hydrogen 3.340 N/A SER 198.A N THR 195.A OG1 no hydrogen 2.994 N/A SER 198.A OG THR 195.A O no hydrogen 2.789 N/A ASP 199.A N THR 195.A O no hydrogen 2.796 N/A VAL 200.A N THR 196.A O no hydrogen 2.965 N/A TRP 201.A N LYS 197.A O no hydrogen 3.267 N/A SER 202.A N SER 198.A O no hydrogen 3.121 N/A SER 202.A OG TRP 183.A O no hydrogen 2.567 N/A SER 202.A OG SER 198.A O no hydrogen 3.393 N/A PHE 203.A N ASP 199.A O no hydrogen 2.832 N/A GLY 204.A N VAL 200.A O no hydrogen 3.117 N/A VAL 205.A N TRP 201.A O no hydrogen 3.245 N/A LEU 206.A N SER 202.A O no hydrogen 2.895 N/A LEU 207.A N PHE 203.A O no hydrogen 2.853 N/A TRP 208.A N GLY 204.A O no hydrogen 3.203 N/A TRP 208.A NE1 LEU 237.A O no hydrogen 2.721 N/A GLU 209.A N VAL 205.A O no hydrogen 2.883 N/A LEU 210.A N LEU 206.A O no hydrogen 2.959 N/A MET 211.A N LEU 207.A O no hydrogen 2.972 N/A THR 212.A OG1 TRP 208.A O no hydrogen 3.064 N/A THR 212.A OG1 GLU 209.A O no hydrogen 3.135 N/A ARG 213.A N LEU 210.A O no hydrogen 2.987 N/A ARG 213.A NE ILE 103.A O no hydrogen 3.000 N/A ARG 213.A NH2 ILE 103.A O no hydrogen 3.181 N/A ARG 213.A NH2 HIS 108.A O no hydrogen 3.009 N/A GLY 214.A N GLU 209.A O no hydrogen 2.718 N/A ALA 215.A N THR 212.A OG1 no hydrogen 3.114 N/A VAL 221.A N TYR 218.A O no hydrogen 3.325 N/A ASP 225.A N ASN 222.A OD1 no hydrogen 3.118 N/A ILE 226.A N THR 223.A O no hydrogen 3.225 N/A TYR 229.A N ASP 225.A O no hydrogen 3.094 N/A TYR 229.A OH ARG 235.A O no hydrogen 3.106 N/A LEU 230.A N ILE 226.A O no hydrogen 3.254 N/A LEU 231.A N THR 227.A O no hydrogen 2.945 N/A GLN 232.A N VAL 228.A O no hydrogen 2.794 N/A GLY 233.A N LEU 230.A O no hydrogen 3.039 N/A ARG 234.A N TYR 229.A O no hydrogen 3.252 N/A ARG 235.A NE TRP 254.A O no hydrogen 2.966 N/A ARG 235.A NH1 LEU 230.A O no hydrogen 2.972 N/A ARG 235.A NH1 ARG 234.A O no hydrogen 2.801 N/A ARG 235.A NH2 TRP 254.A O no hydrogen 2.800 N/A GLN 238.A NE2 CYS 242.A O no hydrogen 2.726 N/A GLN 238.A NE2 ASP 244.A OD1 no hydrogen 2.924 N/A CYS 242.A N PRO 239.A O no hydrogen 3.198 N/A CYS 242.A SG PRO 243.A O no hydrogen 3.432 N/A TYR 247.A N PRO 243.A O no hydrogen 3.141 N/A TYR 247.A OH LEU 236.A O no hydrogen 2.690 N/A GLU 248.A N ASP 244.A O no hydrogen 3.095 N/A VAL 249.A N PRO 245.A O no hydrogen 3.092 N/A MET 250.A N LEU 246.A O no hydrogen 3.040 N/A LEU 251.A N TYR 247.A O no hydrogen 2.907 N/A LYS 252.A N GLU 248.A O no hydrogen 2.980 N/A CYS 253.A N VAL 249.A O no hydrogen 3.220 N/A CYS 253.A SG VAL 249.A O no hydrogen 3.346 N/A TRP 254.A N LEU 251.A O no hydrogen 3.118 N/A TRP 254.A NE1 TRP 201.A O no hydrogen 3.117 N/A HIS 255.A N LYS 252.A O no hydrogen 3.306 N/A LYS 257.A N HIS 255.A ND1 no hydrogen 3.013 N/A GLU 259.A N GLU 259.A OE1 no hydrogen 3.022 N/A MET 260.A N LYS 257.A O no hydrogen 2.891 N/A ARG 261.A N ALA 258.A O no hydrogen 3.223 N/A ARG 261.A NE HIS 255.A O no hydrogen 2.828 N/A ARG 261.A NH1 GLU 187.A OE1 no hydrogen 3.560 N/A ARG 261.A NH1 GLU 187.A OE2 no hydrogen 2.729 N/A ARG 261.A NH1 LYS 197.A O no hydrogen 3.037 N/A ARG 261.A NH2 GLU 187.A OE1 no hydrogen 2.698 N/A ARG 261.A NH2 GLU 187.A OE2 no hydrogen 3.446 N/A ARG 261.A NH2 HIS 255.A O no hydrogen 3.128 N/A GLU 266.A N SER 263.A OG no hydrogen 3.244 N/A LEU 267.A N SER 263.A O no hydrogen 2.878 N/A VAL 268.A N PHE 264.A O no hydrogen 2.920 N/A SER 269.A N SER 265.A O no hydrogen 3.173 N/A SER 269.A OG SER 265.A O no hydrogen 3.161 N/A ARG 270.A N GLU 266.A O no hydrogen 3.103 N/A ARG 270.A NE.A GLU 266.A OE2 no hydrogen 3.445 N/A ILE 271.A N LEU 267.A O no hydrogen 3.072 N/A SER 272.A N VAL 268.A O no hydrogen 2.927 N/A SER 272.A OG VAL 268.A O no hydrogen 3.005 N/A SER 272.A OG SER 269.A O no hydrogen 2.683 N/A ALA 273.A N SER 269.A O no hydrogen 3.155 N/A ILE 274.A N ARG 270.A O no hydrogen 3.090 N/A PHE 275.A N ILE 271.A O no hydrogen 2.749 N/A SER 276.A N SER 272.A O no hydrogen 2.930 N/A SER 276.A OG SER 272.A O no hydrogen 3.034 N/A THR 277.A N ALA 273.A O no hydrogen 3.200 N/A THR 277.A N ILE 274.A O no hydrogen 3.383 N/A THR 277.A OG1 ALA 273.A O no hydrogen 3.259 N/A THR 277.A OG1 ILE 274.A O no hydrogen 3.176 N/A