Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4gg5_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 6.A N VAL 3.A O no hydrogen 2.820 N/A VAL 7.A N GLN 4.A O no hydrogen 3.242 N/A ILE 8.A N ILE 78.A O no hydrogen 2.901 N/A SER 12.A N GLY 9.A O no hydrogen 2.641 N/A SER 12.A OG LEU 35.A O no hydrogen 3.417 N/A LEU 13.A N PRO 10.A O no hydrogen 3.341 N/A ILE 14.A N THR 33.A O no hydrogen 2.657 N/A HIS 16.A N HIS 31.A O no hydrogen 3.015 N/A HIS 16.A NE2 THR 33.A OG1 no hydrogen 2.794 N/A PHE 17.A N VAL 15.A O no hydrogen 2.935 N/A GLU 19.A N HIS 16.A O no hydrogen 2.852 N/A ILE 21.A N VAL 29.A O no hydrogen 2.577 N/A GLY 24.A N GLY 27.A O no hydrogen 2.985 N/A HIS 25.A N MET 159.A O no hydrogen 3.281 N/A PHE 26.A N ASP 158.A OD1 no hydrogen 3.308 N/A PHE 26.A N ASP 158.A OD2 no hydrogen 2.609 N/A GLY 27.A N GLY 24.A O no hydrogen 3.116 N/A VAL 29.A N GLY 22.A O no hydrogen 2.762 N/A TYR 30.A N VAL 46.A O no hydrogen 2.831 N/A HIS 31.A N GLU 19.A O no hydrogen 3.196 N/A HIS 31.A ND1 GLY 32.A O no hydrogen 3.120 N/A GLY 32.A N CYS 44.A O no hydrogen 2.846 N/A THR 33.A N ILE 14.A O no hydrogen 2.749 N/A THR 33.A OG1 HIS 16.A NE2 no hydrogen 2.794 N/A LEU 34.A N ILE 42.A O no hydrogen 2.746 N/A LEU 35.A N SER 12.A O no hydrogen 3.040 N/A ASP 36.A N LYS 40.A O no hydrogen 2.956 N/A ASP 38.A N ASP 36.A OD2 no hydrogen 2.606 N/A GLY 39.A N ASP 36.A O no hydrogen 3.054 N/A LYS 40.A N ASP 36.A OD1 no hydrogen 2.443 N/A ILE 42.A N LEU 34.A O no hydrogen 2.677 N/A CYS 44.A N GLY 32.A O no hydrogen 3.025 N/A ALA 45.A N LEU 87.A O no hydrogen 2.623 N/A VAL 46.A N TYR 30.A O no hydrogen 2.944 N/A LYS 47.A N VAL 85.A O no hydrogen 2.779 N/A LYS 47.A NZ ASP 158.A OD2 no hydrogen 2.578 N/A LYS 47.A NZ TYR 160.A OH no hydrogen 3.527 N/A SER 48.A N CYS 28.A O no hydrogen 3.014 N/A LEU 49.A N PRO 83.A O no hydrogen 3.411 N/A ARG 51.A N PHE 26.A O no hydrogen 3.391 N/A ARG 51.A NH1 HIS 25.A O no hydrogen 3.006 N/A THR 53.A OG1 ASP 54.A OD1 no hydrogen 2.897 N/A GLN 56.A NE2 GLN 56.A O no hydrogen 2.794 N/A PHE 57.A N ILE 55.A O no hydrogen 3.450 N/A THR 59.A OG1 GLN 56.A O no hydrogen 2.286 N/A GLU 60.A N PHE 57.A O no hydrogen 3.176 N/A ILE 62.A N THR 59.A O no hydrogen 3.079 N/A MET 64.A N GLY 61.A O no hydrogen 3.132 N/A LYS 65.A N ILE 62.A O no hydrogen 3.077 N/A LYS 65.A NZ HIS 5.A O no hydrogen 3.540 N/A ASP 66.A N ILE 63.A O no hydrogen 2.996 N/A PHE 67.A N MET 64.A O no hydrogen 3.223 N/A SER 68.A N TYR 124.A OH no hydrogen 2.948 N/A ASN 71.A N HIS 69.A ND1 no hydrogen 2.788 N/A ASN 71.A ND2 GLN 117.A OE1 no hydrogen 3.342 N/A ASN 71.A ND2 VAL 148.A O no hydrogen 3.137 N/A VAL 72.A N HIS 69.A O no hydrogen 3.136 N/A LEU 73.A N VAL 150.A O no hydrogen 3.048 N/A LEU 76.A N VAL 86.A O no hydrogen 2.883 N/A GLY 77.A N VAL 86.A O no hydrogen 3.194 N/A ILE 78.A N VAL 6.A O no hydrogen 3.027 N/A CYS 79.A N LEU 84.A O no hydrogen 2.857 N/A CYS 79.A SG ILE 8.A O no hydrogen 3.816 N/A LEU 84.A N CYS 79.A O no hydrogen 2.958 N/A VAL 85.A N LYS 47.A O no hydrogen 2.864 N/A VAL 86.A N GLY 77.A O no hydrogen 2.694 N/A LEU 87.A N ALA 45.A O no hydrogen 2.802 N/A HIS 92.A N LEU 142.A O no hydrogen 3.005 N/A GLY 93.A N MET 90.A O no hydrogen 3.104 N/A LEU 95.A N CYS 140.A O no hydrogen 2.722 N/A ARG 96.A N ALA 137.A O no hydrogen 3.260 N/A ASN 97.A N ASP 94.A OD2 no hydrogen 2.738 N/A ASN 97.A ND2 ASP 94.A OD1 no hydrogen 2.333 N/A PHE 98.A N ASP 94.A O no hydrogen 3.061 N/A ILE 99.A N LEU 95.A O no hydrogen 3.065 N/A ARG 100.A N ARG 96.A O no hydrogen 3.033 N/A ARG 100.A N ASN 97.A O no hydrogen 3.207 N/A ARG 100.A NH2 GLY 210.A O no hydrogen 2.864 N/A ASN 101.A N ASN 97.A O no hydrogen 3.164 N/A THR 103.A N ASN 101.A OD1 no hydrogen 3.015 N/A THR 103.A OG1 ASN 101.A OD1 no hydrogen 3.086 N/A HIS 104.A N ASN 101.A O no hydrogen 2.948 N/A HIS 104.A ND1 PHE 98.A O no hydrogen 2.832 N/A THR 107.A N ASP 110.A OD2 no hydrogen 2.472 N/A THR 107.A OG1 ASP 110.A OD2 no hydrogen 2.916 N/A LYS 109.A NZ PHE 271.A O no hydrogen 2.964 N/A ASP 110.A N THR 107.A OG1 no hydrogen 3.037 N/A LEU 111.A N THR 107.A O no hydrogen 3.043 N/A ILE 112.A N VAL 108.A O no hydrogen 3.238 N/A GLY 113.A N LYS 109.A O no hydrogen 3.018 N/A PHE 114.A N ASP 110.A O no hydrogen 2.878 N/A GLY 115.A N LEU 111.A O no hydrogen 3.185 N/A LEU 116.A N ILE 112.A O no hydrogen 2.839 N/A GLN 117.A N GLY 113.A O no hydrogen 2.866 N/A GLN 117.A NE2 PHE 146.A O no hydrogen 3.379 N/A VAL 118.A N PHE 114.A O no hydrogen 3.076 N/A ALA 119.A N GLY 115.A O no hydrogen 3.041 N/A LYS 120.A N LEU 116.A O no hydrogen 2.850 N/A GLY 121.A N GLN 117.A O no hydrogen 3.114 N/A MET 122.A N VAL 118.A O no hydrogen 2.826 N/A LYS 123.A N ALA 119.A O no hydrogen 2.810 N/A TYR 124.A N LYS 120.A O no hydrogen 3.034 N/A LEU 125.A N GLY 121.A O no hydrogen 2.978 N/A ALA 126.A N MET 122.A O no hydrogen 2.793 N/A SER 127.A N LYS 123.A O no hydrogen 3.080 N/A SER 127.A OG TYR 124.A O no hydrogen 2.862 N/A LYS 128.A N TYR 124.A O no hydrogen 3.313 N/A LYS 128.A N LEU 125.A O no hydrogen 3.191 N/A LYS 129.A N ALA 126.A O no hydrogen 2.850 N/A PHE 130.A N LEU 125.A O no hydrogen 2.846 N/A HIS 132.A N ASP 195.A OD2 no hydrogen 2.773 N/A HIS 132.A NE2 ALA 151.A O no hydrogen 2.736 N/A ARG 133.A N ASP 195.A OD1 no hydrogen 3.086 N/A ASP 134.A N HIS 132.A ND1 no hydrogen 3.075 N/A ALA 137.A N GLU 205.A OE1 no hydrogen 2.883 N/A ARG 138.A NE TYR 165.A OH no hydrogen 3.315 N/A ARG 138.A NH2 ASP 134.A OD1 no hydrogen 3.299 N/A ARG 138.A NH2 TYR 165.A OH no hydrogen 3.103 N/A ASN 139.A N ALA 136.A O no hydrogen 2.951 N/A ASN 139.A ND2 ASP 134.A O no hydrogen 2.919 N/A ASN 139.A ND2 TYR 165.A OH no hydrogen 3.527 N/A CYS 140.A N ALA 137.A O no hydrogen 3.389 N/A CYS 140.A SG ALA 136.A O no hydrogen 3.655 N/A MET 141.A N LYS 149.A O no hydrogen 2.763 N/A LEU 142.A N GLY 93.A O no hydrogen 3.098 N/A ASP 143.A N THR 147.A O no hydrogen 2.982 N/A LYS 145.A NZ GLU 144.A OE1 no hydrogen 3.354 N/A PHE 146.A N ASP 143.A O no hydrogen 2.992 N/A THR 147.A N ASP 143.A OD1 no hydrogen 2.960 N/A VAL 148.A N GLN 117.A OE1 no hydrogen 3.033 N/A LYS 149.A N MET 141.A O no hydrogen 2.656 N/A LYS 149.A NZ PRO 70.A O no hydrogen 2.768 N/A VAL 150.A N ASN 71.A O no hydrogen 2.730 N/A ALA 151.A N ASN 139.A O no hydrogen 3.086 N/A ALA 156.A N PHE 153.A O no hydrogen 3.112 N/A ARG 157.A N GLY 154.A O no hydrogen 2.971 N/A ASP 158.A N ASP 152.A OD1 no hydrogen 2.983 N/A MET 159.A N ASP 158.A OD1 no hydrogen 2.607 N/A TYR 160.A OH ALA 156.A O no hydrogen 3.115 N/A TYR 165.A N LYS 162.A O no hydrogen 3.121 N/A TYR 165.A OH ASP 134.A OD1 no hydrogen 3.082 N/A TYR 165.A OH ASP 134.A OD2 no hydrogen 2.578 N/A SER 166.A N LEU 175.A O no hydrogen 2.848 N/A HIS 168.A N ALA 173.A O no hydrogen 2.831 N/A LYS 170.A N HIS 168.A ND1 no hydrogen 3.229 N/A THR 171.A N HIS 168.A ND1 no hydrogen 3.349 N/A LEU 175.A N SER 166.A O no hydrogen 2.771 N/A LYS 178.A NZ TYR 214.A O no hydrogen 2.705 N/A LYS 178.A NZ VAL 217.A O no hydrogen 2.644 N/A TRP 179.A N PRO 176.A O no hydrogen 2.904 N/A TRP 179.A NE1 GLU 205.A OE1 no hydrogen 2.967 N/A MET 180.A N VAL 177.A O no hydrogen 3.228 N/A GLU 183.A N GLU 183.A OE1 no hydrogen 2.550 N/A SER 184.A N ALA 181.A O no hydrogen 2.879 N/A SER 184.A OG LYS 189.A O no hydrogen 2.820 N/A LEU 185.A N ALA 181.A O no hydrogen 3.145 N/A GLN 186.A N LEU 182.A O no hydrogen 3.326 N/A THR 187.A N GLU 183.A O no hydrogen 2.897 N/A THR 187.A OG1 GLU 183.A O no hydrogen 3.050 N/A GLN 188.A N SER 184.A O no hydrogen 2.699 N/A LYS 189.A N THR 187.A OG1 no hydrogen 3.329 N/A LYS 189.A NZ THR 187.A OG1 no hydrogen 3.089 N/A THR 191.A N SER 194.A OG no hydrogen 2.597 N/A LYS 193.A NZ ARG 257.A O no hydrogen 2.753 N/A SER 194.A N THR 191.A OG1 no hydrogen 3.176 N/A SER 194.A OG THR 191.A O no hydrogen 2.653 N/A ASP 195.A N THR 191.A O no hydrogen 2.849 N/A VAL 196.A N THR 192.A O no hydrogen 2.885 N/A TRP 197.A N LYS 193.A O no hydrogen 3.254 N/A SER 198.A N SER 194.A O no hydrogen 3.086 N/A SER 198.A OG TRP 179.A O no hydrogen 2.629 N/A SER 198.A OG SER 194.A O no hydrogen 3.461 N/A PHE 199.A N ASP 195.A O no hydrogen 2.756 N/A GLY 200.A N VAL 196.A O no hydrogen 3.124 N/A VAL 201.A N TRP 197.A O no hydrogen 3.339 N/A LEU 202.A N SER 198.A O no hydrogen 2.881 N/A LEU 203.A N PHE 199.A O no hydrogen 2.842 N/A TRP 204.A N GLY 200.A O no hydrogen 3.028 N/A TRP 204.A NE1 LEU 233.A O no hydrogen 2.795 N/A GLU 205.A N VAL 201.A O no hydrogen 2.795 N/A LEU 206.A N LEU 202.A O no hydrogen 2.987 N/A MET 207.A N LEU 203.A O no hydrogen 3.039 N/A THR 208.A N TRP 204.A O no hydrogen 3.120 N/A THR 208.A OG1 TRP 204.A O no hydrogen 3.249 N/A THR 208.A OG1 GLU 205.A O no hydrogen 3.141 N/A ARG 209.A N LEU 206.A O no hydrogen 2.831 N/A ARG 209.A NE ILE 99.A O no hydrogen 2.838 N/A ARG 209.A NH1 HIS 104.A O no hydrogen 3.500 N/A ARG 209.A NH2 ILE 99.A O no hydrogen 3.103 N/A ARG 209.A NH2 HIS 104.A O no hydrogen 3.051 N/A GLY 210.A N GLU 205.A O no hydrogen 2.631 N/A ALA 211.A N THR 208.A OG1 no hydrogen 2.926 N/A VAL 217.A N TYR 214.A O no hydrogen 3.116 N/A PHE 220.A N ASN 218.A OD1 no hydrogen 2.819 N/A TYR 225.A N ASP 221.A O no hydrogen 3.019 N/A LEU 226.A N ILE 222.A O no hydrogen 3.020 N/A LEU 227.A N THR 223.A O no hydrogen 2.824 N/A GLN 228.A N VAL 224.A O no hydrogen 2.933 N/A GLY 229.A N LEU 226.A O no hydrogen 3.028 N/A ARG 231.A NE TRP 250.A O no hydrogen 2.970 N/A ARG 231.A NH1 LEU 226.A O no hydrogen 3.097 N/A ARG 231.A NH1 ARG 230.A O no hydrogen 3.061 N/A ARG 231.A NH2 TRP 250.A O no hydrogen 2.484 N/A GLN 234.A NE2 CYS 238.A O no hydrogen 2.523 N/A GLN 234.A NE2 ASP 240.A OD1 no hydrogen 3.003 N/A CYS 238.A N PRO 235.A O no hydrogen 3.166 N/A CYS 238.A SG PRO 239.A O no hydrogen 3.513 N/A TYR 243.A N PRO 239.A O no hydrogen 3.275 N/A TYR 243.A OH LEU 232.A O no hydrogen 2.465 N/A GLU 244.A N ASP 240.A O no hydrogen 3.168 N/A VAL 245.A N PRO 241.A O no hydrogen 3.115 N/A MET 246.A N LEU 242.A O no hydrogen 3.050 N/A LEU 247.A N TYR 243.A O no hydrogen 2.998 N/A LYS 248.A N GLU 244.A O no hydrogen 3.319 N/A CYS 249.A N VAL 245.A O no hydrogen 3.359 N/A CYS 249.A N MET 246.A O no hydrogen 2.927 N/A CYS 249.A SG VAL 245.A O no hydrogen 3.453 N/A TRP 250.A N LEU 247.A O no hydrogen 3.080 N/A TRP 250.A NE1 TRP 197.A O no hydrogen 3.070 N/A LYS 253.A N HIS 251.A ND1 no hydrogen 2.909 N/A GLU 255.A N GLU 255.A OE1 no hydrogen 3.105 N/A MET 256.A N LYS 253.A O no hydrogen 2.886 N/A ARG 257.A N ALA 254.A O no hydrogen 2.988 N/A ARG 257.A NE HIS 251.A O no hydrogen 2.752 N/A ARG 257.A NH1 GLU 183.A OE2 no hydrogen 2.815 N/A ARG 257.A NH1 LYS 193.A O no hydrogen 3.035 N/A ARG 257.A NH2 GLU 183.A OE1 no hydrogen 2.967 N/A ARG 257.A NH2 HIS 251.A O no hydrogen 2.901 N/A GLU 262.A N SER 259.A OG no hydrogen 2.981 N/A LEU 263.A N SER 259.A O no hydrogen 3.030 N/A VAL 264.A N PHE 260.A O no hydrogen 2.904 N/A SER 265.A N SER 261.A O no hydrogen 3.236 N/A SER 265.A OG SER 261.A O no hydrogen 3.326 N/A ARG 266.A N GLU 262.A O no hydrogen 2.996 N/A ARG 266.A NE GLU 262.A OE2 no hydrogen 2.556 N/A ARG 266.A NH2 GLU 262.A OE2 no hydrogen 3.100 N/A ILE 267.A N LEU 263.A O no hydrogen 3.095 N/A SER 268.A N VAL 264.A O no hydrogen 3.112 N/A SER 268.A OG VAL 264.A O no hydrogen 2.963 N/A SER 268.A OG SER 265.A O no hydrogen 2.725 N/A ALA 269.A N SER 265.A O no hydrogen 2.976 N/A ILE 270.A N ARG 266.A O no hydrogen 3.036 N/A PHE 271.A N ILE 267.A O no hydrogen 2.735 N/A SER 272.A N SER 268.A O no hydrogen 3.189 N/A SER 272.A N ALA 269.A O no hydrogen 3.146 N/A SER 272.A OG SER 268.A O no hydrogen 3.249 N/A THR 273.A N ALA 269.A O no hydrogen 2.986 N/A THR 273.A OG1 ALA 269.A O no hydrogen 3.569 N/A THR 273.A OG1 ILE 270.A O no hydrogen 3.119 N/A