Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4gw3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): THR 2.A N HIS 36.A ND1 no hydrogen 3.402 N/A THR 2.A OG1 TYR 4.A O no hydrogen 2.816 N/A LYS 3.A N LEU 284.A OXT no hydrogen 2.705 N/A LYS 3.A NZ TYR 4.A OH no hydrogen 3.384 N/A TYR 4.A N LEU 284.A O no hydrogen 2.993 N/A ILE 6.A N GLN 37.A O no hydrogen 2.850 N/A VAL 7.A N ASN 73.A O no hydrogen 2.781 N/A LEU 8.A N PHE 39.A O no hydrogen 2.765 N/A VAL 9.A N ILE 75.A O no hydrogen 2.958 N/A HIS 10.A N ALA 41.A O no hydrogen 3.259 N/A HIS 10.A ND1 GLY 11.A O no hydrogen 2.779 N/A LEU 12.A N LEU 43.A O no hydrogen 2.823 N/A PHE 15.A N LEU 12.A O no hydrogen 3.164 N/A ILE 18.A N GLY 14.A O no hydrogen 2.970 N/A VAL 19.A N PHE 15.A O no hydrogen 2.714 N/A GLY 20.A N ASN 16.A O no hydrogen 2.798 N/A TYR 23.A OH HIS 77.A ND1 no hydrogen 2.679 N/A TYR 25.A N VAL 255.A O no hydrogen 3.131 N/A ILE 27.A N PHE 24.A O no hydrogen 3.250 N/A ALA 30.A N GLY 26.A O no hydrogen 3.253 N/A LEU 31.A N ILE 27.A O no hydrogen 2.969 N/A ARG 32.A N ALA 28.A O no hydrogen 3.038 N/A ARG 32.A NH2 VAL 38.A O no hydrogen 2.880 N/A GLN 33.A N ASP 29.A O no hydrogen 3.186 N/A ASP 34.A N LEU 31.A O no hydrogen 3.174 N/A GLY 35.A N ARG 32.A O no hydrogen 3.034 N/A HIS 36.A N LEU 31.A O no hydrogen 3.271 N/A PHE 39.A N ILE 6.A O no hydrogen 2.909 N/A ALA 41.A N LEU 8.A O no hydrogen 2.735 N/A SER 42.A OG HIS 10.A NE2 no hydrogen 2.767 N/A LEU 43.A N HIS 10.A O no hydrogen 2.818 N/A SER 44.A N GLN 55.A OE1 no hydrogen 2.823 N/A SER 48.A N ASN 47.A OD1 no hydrogen 2.758 N/A SER 48.A OG GLU 50.A OE1 no hydrogen 3.513 N/A GLU 50.A N GLU 50.A OE1 no hydrogen 2.655 N/A VAL 51.A N SER 48.A OG no hydrogen 3.146 N/A ARG 52.A N SER 48.A O no hydrogen 3.280 N/A ARG 52.A NH1 SER 44.A O no hydrogen 2.961 N/A ARG 52.A NH1 ASN 47.A O no hydrogen 2.910 N/A ARG 52.A NH2 ASN 47.A O no hydrogen 3.473 N/A ARG 52.A NH2 SER 156.A OG no hydrogen 2.807 N/A GLY 53.A N ASN 49.A O no hydrogen 2.813 N/A LYS 54.A N GLU 50.A O no hydrogen 2.902 N/A GLN 55.A N VAL 51.A O no hydrogen 2.914 N/A LEU 56.A N ARG 52.A O no hydrogen 2.836 N/A TRP 57.A N GLY 53.A O no hydrogen 2.960 N/A GLN 58.A N LYS 54.A O no hydrogen 3.083 N/A PHE 59.A N GLN 55.A O no hydrogen 3.031 N/A VAL 60.A N LEU 56.A O no hydrogen 2.805 N/A GLN 61.A N TRP 57.A O no hydrogen 2.842 N/A GLN 61.A NE2 TRP 57.A O no hydrogen 3.486 N/A THR 62.A N GLN 58.A O no hydrogen 3.133 N/A THR 62.A OG1 GLN 58.A O no hydrogen 3.069 N/A THR 62.A OG1 GLN 58.A OE1 no hydrogen 3.198 N/A LEU 63.A N PHE 59.A O no hydrogen 2.941 N/A LEU 64.A N VAL 60.A O no hydrogen 2.794 N/A GLN 65.A N GLN 61.A O no hydrogen 3.159 N/A GLU 66.A N THR 62.A O no hydrogen 3.132 N/A THR 67.A N LEU 63.A O no hydrogen 2.923 N/A THR 67.A OG1 LEU 63.A O no hydrogen 2.836 N/A THR 67.A OG1 LEU 64.A O no hydrogen 3.472 N/A GLN 68.A N LEU 64.A O no hydrogen 2.864 N/A GLN 68.A NE2 GLN 65.A O no hydrogen 3.278 N/A ALA 69.A N THR 67.A OG1 no hydrogen 3.222 N/A VAL 72.A N SER 94.A O no hydrogen 3.170 N/A ASN 73.A N PRO 5.A O no hydrogen 2.832 N/A ASN 73.A ND2 TYR 4.A O no hydrogen 3.039 N/A ASN 73.A ND2 LEU 284.A O no hydrogen 2.756 N/A PHE 74.A N SER 97.A O no hydrogen 2.918 N/A ILE 75.A N VAL 7.A O no hydrogen 2.927 N/A GLY 76.A N THR 99.A O no hydrogen 2.912 N/A HIS 77.A N VAL 9.A O no hydrogen 3.073 N/A HIS 77.A ND1 TYR 23.A OH no hydrogen 2.679 N/A HIS 77.A NE2 HIS 251.A O no hydrogen 2.924 N/A SER 78.A OG HIS 251.A NE2 no hydrogen 2.760 N/A GLY 80.A N HIS 77.A O no hydrogen 2.816 N/A LEU 82.A N GLN 79.A O no hydrogen 3.156 N/A CYS 84.A N GLY 80.A O no hydrogen 3.005 N/A CYS 84.A SG GLY 80.A O no hydrogen 3.234 N/A ARG 85.A N PRO 81.A O no hydrogen 2.846 N/A ARG 85.A NH1 ASN 105.A OD1 no hydrogen 3.010 N/A ARG 85.A NH1 ASN 166.A OD1 no hydrogen 3.181 N/A ARG 85.A NH2 ASN 166.A OD1 no hydrogen 2.764 N/A ARG 85.A NH2 TYR 169.A O no hydrogen 2.857 N/A TYR 86.A N LEU 82.A O no hydrogen 3.019 N/A VAL 87.A N ALA 83.A O no hydrogen 3.203 N/A ALA 88.A N CYS 84.A O no hydrogen 2.916 N/A ALA 89.A N ARG 85.A O no hydrogen 2.872 N/A ASN 90.A N TYR 86.A O no hydrogen 3.038 N/A TYR 91.A N VAL 87.A O no hydrogen 2.665 N/A SER 94.A N TYR 91.A O no hydrogen 2.967 N/A VAL 95.A N PRO 92.A O no hydrogen 3.198 N/A ALA 96.A N VAL 72.A O no hydrogen 2.837 N/A SER 97.A N VAL 72.A O no hydrogen 3.461 N/A SER 97.A OG ASN 73.A OD1 no hydrogen 2.702 N/A VAL 98.A N HIS 189.A O no hydrogen 2.752 N/A THR 99.A N PHE 74.A O no hydrogen 2.832 N/A THR 99.A OG1 HIS 275.A NE2 no hydrogen 2.787 N/A SER 100.A N TYR 191.A O no hydrogen 2.804 N/A ILE 101.A N GLY 76.A O no hydrogen 2.871 N/A ASN 102.A N PHE 193.A O no hydrogen 3.141 N/A VAL 104.A N SER 78.A O no hydrogen 3.442 N/A ASN 105.A ND2 SER 100.A OG no hydrogen 2.962 N/A ASN 105.A ND2 MET 237.A O no hydrogen 2.958 N/A HIS 106.A N SER 236.A OG no hydrogen 2.952 N/A GLY 107.A N VAL 104.A O no hydrogen 3.488 N/A SER 108.A N LEU 157.A O no hydrogen 2.758 N/A SER 108.A OG LEU 231.A O no hydrogen 2.565 N/A ALA 111.A N SER 108.A OG no hydrogen 3.162 N/A ASP 112.A N SER 108.A O no hydrogen 3.062 N/A LEU 113.A N GLU 109.A O no hydrogen 2.997 N/A TYR 114.A N ILE 110.A O no hydrogen 2.795 N/A TYR 114.A OH PRO 147.A O no hydrogen 2.520 N/A ARG 115.A N ALA 111.A O no hydrogen 3.079 N/A ARG 116.A N ASP 112.A O no hydrogen 3.172 N/A ARG 116.A NE ASP 121.A OD2 no hydrogen 2.965 N/A ARG 116.A NH2 ASP 121.A O no hydrogen 2.746 N/A ARG 116.A NH2 ASP 121.A OD2 no hydrogen 3.492 N/A ILE 117.A N LEU 113.A O no hydrogen 2.882 N/A MET 118.A N TYR 114.A O no hydrogen 2.906 N/A ARG 119.A N ARG 115.A O no hydrogen 2.847 N/A LYS 120.A N ILE 117.A O no hydrogen 3.115 N/A ASP 121.A N ARG 116.A O no hydrogen 2.783 N/A ILE 127.A N PRO 124.A O no hydrogen 3.063 N/A VAL 128.A N PRO 124.A O no hydrogen 3.163 N/A GLU 129.A N GLU 125.A O no hydrogen 2.971 N/A LYS 130.A N TYR 126.A O no hydrogen 3.241 N/A VAL 131.A N ILE 127.A O no hydrogen 3.000 N/A LEU 132.A N VAL 128.A O no hydrogen 2.986 N/A ASN 133.A N GLU 129.A O no hydrogen 2.820 N/A ALA 134.A N LYS 130.A O no hydrogen 3.113 N/A PHE 135.A N VAL 131.A O no hydrogen 3.161 N/A GLY 136.A N LEU 132.A O no hydrogen 2.934 N/A THR 137.A N ASN 133.A O no hydrogen 2.982 N/A THR 137.A OG1 ASN 133.A O no hydrogen 2.928 N/A ILE 138.A N ALA 134.A O no hydrogen 3.048 N/A ILE 139.A N PHE 135.A O no hydrogen 2.873 N/A SER 140.A N GLY 136.A O no hydrogen 2.874 N/A SER 140.A OG GLY 136.A O no hydrogen 2.931 N/A SER 140.A OG THR 137.A O no hydrogen 2.989 N/A THR 141.A N THR 137.A O no hydrogen 3.069 N/A THR 141.A OG1 THR 137.A O no hydrogen 2.603 N/A PHE 142.A N ILE 138.A O no hydrogen 3.382 N/A SER 143.A N ILE 139.A O no hydrogen 2.839 N/A SER 143.A OG ILE 139.A O no hydrogen 2.825 N/A SER 143.A OG HIS 145.A O no hydrogen 2.806 N/A GLY 144.A N SER 140.A O no hydrogen 2.672 N/A HIS 145.A N SER 143.A OG no hydrogen 3.413 N/A ASP 149.A N ASP 146.A O no hydrogen 2.803 N/A ALA 150.A N PRO 147.A O no hydrogen 3.155 N/A ILE 151.A N GLN 148.A O no hydrogen 3.419 N/A ALA 152.A N ASP 149.A O no hydrogen 3.437 N/A ALA 153.A N ALA 150.A O no hydrogen 3.071 N/A LEU 154.A N ALA 150.A O no hydrogen 3.340 N/A GLU 155.A N ILE 151.A O no hydrogen 2.830 N/A SER 156.A OG ASN 47.A O no hydrogen 3.261 N/A SER 156.A OG ALA 153.A O no hydrogen 3.527 N/A LEU 157.A N LEU 154.A O no hydrogen 2.913 N/A THR 159.A N ASP 112.A OD1 no hydrogen 2.764 N/A THR 159.A OG1 ASP 112.A OD1 no hydrogen 3.540 N/A THR 159.A OG1 ASP 112.A OD2 no hydrogen 2.561 N/A GLN 161.A N THR 158.A OG1 no hydrogen 3.190 N/A VAL 162.A N THR 158.A O no hydrogen 2.976 N/A THR 163.A N THR 159.A O no hydrogen 2.887 N/A THR 163.A OG1 THR 159.A O no hydrogen 2.591 N/A GLU 164.A N GLU 160.A O no hydrogen 3.204 N/A PHE 165.A N GLN 161.A O no hydrogen 3.012 N/A ASN 166.A N VAL 162.A O no hydrogen 2.679 N/A ASN 166.A ND2 ASN 105.A O no hydrogen 2.841 N/A ASN 167.A N THR 163.A O no hydrogen 2.931 N/A LYS 168.A N GLU 164.A O no hydrogen 3.316 N/A LYS 168.A NZ GLU 50.A OE2 no hydrogen 2.667 N/A TYR 169.A N PHE 165.A O no hydrogen 2.861 N/A GLN 171.A N GLN 171.A OE1 no hydrogen 2.733 N/A LEU 173.A N PRO 170.A O no hydrogen 3.253 N/A GLY 179.A N THR 176.A O no hydrogen 2.964 N/A GLY 181.A N GLY 240.A O no hydrogen 2.990 N/A VAL 185.A N VAL 188.A O no hydrogen 2.979 N/A VAL 188.A N VAL 185.A O no hydrogen 2.965 N/A HIS 189.A N ALA 96.A O no hydrogen 3.197 N/A HIS 189.A ND1 TYR 191.A OH no hydrogen 3.016 N/A TYR 190.A N GLU 183.A O no hydrogen 2.689 N/A TYR 191.A N VAL 98.A O no hydrogen 2.888 N/A TYR 191.A OH GLU 183.A OE2 no hydrogen 2.889 N/A CYS 192.A N LYS 241.A O no hydrogen 3.001 N/A CYS 192.A SG LEU 239.A O no hydrogen 3.107 N/A PHE 193.A N SER 100.A O no hydrogen 2.675 N/A GLY 194.A N LYS 244.A O no hydrogen 3.165 N/A SER 195.A OG ASN 102.A OD1 no hydrogen 2.909 N/A SER 195.A OG GLN 249.A O no hydrogen 2.728 N/A TYR 196.A N TYR 247.A O no hydrogen 3.107 N/A ILE 197.A N ASN 228.A O no hydrogen 3.060 N/A GLN 198.A NE2 TYR 196.A O no hydrogen 3.020 N/A GLN 198.A NE2 ASP 246.A O no hydrogen 2.997 N/A GLY 203.A N LEU 200.A O no hydrogen 3.271 N/A GLU 204.A N ILE 201.A O no hydrogen 3.071 N/A ASN 207.A N GLU 204.A O no hydrogen 3.248 N/A ASN 207.A ND2 GLU 204.A OE1 no hydrogen 3.298 N/A ASN 207.A ND2 ASP 253.A OD1 no hydrogen 3.120 N/A ASN 207.A ND2 ASP 253.A OD2 no hydrogen 2.836 N/A LEU 208.A N LYS 205.A O no hydrogen 2.948 N/A LEU 209.A N GLY 206.A O no hydrogen 3.349 N/A ASP 210.A N ASN 207.A O no hydrogen 2.979 N/A THR 212.A N ASP 210.A OD1 no hydrogen 2.940 N/A THR 212.A OG1 ASP 210.A OD1 no hydrogen 2.613 N/A THR 212.A OG1 ASP 210.A OD2 no hydrogen 3.222 N/A HIS 213.A N ASP 210.A O no hydrogen 3.167 N/A HIS 213.A ND1 ASP 250.A OD2 no hydrogen 2.752 N/A MET 216.A N THR 212.A O no hydrogen 2.966 N/A ARG 217.A N HIS 213.A O no hydrogen 3.023 N/A ARG 217.A NE HIS 213.A NE2 no hydrogen 3.064 N/A ARG 217.A NH1 GLY 199.A O no hydrogen 2.948 N/A ARG 217.A NH2 GLN 198.A O no hydrogen 3.150 N/A ARG 217.A NH2 GLY 199.A O no hydrogen 2.808 N/A ARG 217.A NH2 GLU 204.A OE2 no hydrogen 2.875 N/A VAL 218.A N ALA 214.A O no hydrogen 3.123 N/A LEU 219.A N ALA 215.A O no hydrogen 3.136 N/A ASN 220.A N MET 216.A O no hydrogen 2.871 N/A THR 221.A N VAL 218.A O no hydrogen 3.120 N/A THR 221.A OG1 VAL 218.A O no hydrogen 2.728 N/A PHE 222.A N LEU 219.A O no hydrogen 3.108 N/A PHE 223.A N ASN 220.A O no hydrogen 3.508 N/A THR 224.A N GLU 109.A OE1 no hydrogen 2.756 N/A THR 224.A OG1 GLU 109.A OE1 no hydrogen 2.675 N/A THR 224.A OG1 GLU 109.A OE2 no hydrogen 3.236 N/A GLU 225.A N GLU 109.A OE2 no hydrogen 2.968 N/A ASN 228.A ND2 ASN 220.A O no hydrogen 3.108 N/A ASN 228.A ND2 GLU 225.A O no hydrogen 3.086 N/A ASP 229.A N VAL 232.A O no hydrogen 3.163 N/A GLY 230.A N ASN 228.A OD1 no hydrogen 2.783 N/A LEU 231.A N ASP 229.A OD1 no hydrogen 2.883 N/A VAL 232.A N ASP 229.A OD1 no hydrogen 2.808 N/A ARG 234.A N GLN 227.A O no hydrogen 2.809 N/A ARG 234.A NE ASP 245.A OD2 no hydrogen 3.079 N/A ARG 234.A NH1 GLN 227.A OE1 no hydrogen 2.796 N/A ARG 234.A NH2 ASP 245.A OD1 no hydrogen 2.935 N/A SER 235.A N GLU 225.A OE2 no hydrogen 2.746 N/A SER 235.A OG GLU 225.A OE1 no hydrogen 2.876 N/A SER 235.A OG GLU 225.A OE2 no hydrogen 3.048 N/A SER 236.A N GLY 233.A O no hydrogen 3.048 N/A SER 236.A OG GLY 107.A O no hydrogen 2.852 N/A MET 237.A N ARG 234.A O no hydrogen 3.244 N/A ARG 238.A N SER 235.A O no hydrogen 3.340 N/A ARG 238.A NE ASP 245.A OD2 no hydrogen 3.189 N/A ARG 238.A NH1 GLY 179.A O no hydrogen 2.982 N/A ARG 238.A NH2 ASP 245.A OD2 no hydrogen 2.850 N/A GLY 240.A N ALA 172.A O no hydrogen 2.823 N/A LYS 241.A N TYR 190.A O no hydrogen 2.918 N/A LEU 242.A N GLU 180.A OE2 no hydrogen 2.945 N/A ILE 243.A N CYS 192.A O no hydrogen 2.989 N/A LYS 244.A NZ ASP 246.A OD1 no hydrogen 2.662 N/A GLN 249.A NE2 GLY 263.A O no hydrogen 2.863 N/A ASP 250.A N ASP 253.A OD2 no hydrogen 2.934 N/A HIS 251.A N ASP 229.A O no hydrogen 2.922 N/A HIS 251.A ND1 ASP 229.A OD2 no hydrogen 2.721 N/A HIS 251.A NE2 SER 78.A OG no hydrogen 2.760 N/A ASP 253.A N ASP 250.A OD1 no hydrogen 2.696 N/A MET 254.A N ASP 250.A O no hydrogen 3.319 N/A VAL 255.A N ILE 252.A O no hydrogen 3.250 N/A ASN 256.A N ASP 253.A O no hydrogen 2.842 N/A ASN 256.A ND2 TYR 25.A O no hydrogen 3.082 N/A GLN 257.A N ILE 252.A O no hydrogen 3.262 N/A GLN 257.A NE2 TYR 23.A O no hydrogen 3.002 N/A VAL 258.A N ASP 210.A OD2 no hydrogen 2.868 N/A ALA 259.A N GLN 257.A OE1 no hydrogen 2.921 N/A GLY 260.A N ASN 256.A O no hydrogen 2.866 N/A LEU 261.A N VAL 258.A O no hydrogen 2.998 N/A GLY 263.A N GLN 249.A OE1 no hydrogen 2.983 N/A TYR 264.A N GLU 204.A O no hydrogen 3.285 N/A TYR 264.A OH GLN 198.A O no hydrogen 2.660 N/A TYR 264.A OH GLU 204.A OE2 no hydrogen 3.154 N/A GLU 266.A N GLY 263.A O no hydrogen 3.092 N/A ALA 270.A N ASP 267.A OD1 no hydrogen 3.169 N/A ILE 271.A N ILE 268.A O no hydrogen 2.992 N/A TYR 272.A N VAL 269.A O no hydrogen 2.987 N/A TYR 272.A OH MET 254.A O no hydrogen 2.671 N/A THR 273.A N VAL 269.A O no hydrogen 3.113 N/A THR 273.A OG1 ALA 270.A O no hydrogen 3.358 N/A GLN 274.A N ALA 270.A O no hydrogen 2.964 N/A HIS 275.A N ILE 271.A O no hydrogen 3.242 N/A HIS 275.A NE2 THR 99.A OG1 no hydrogen 2.787 N/A ALA 276.A N TYR 272.A O no hydrogen 2.937 N/A LYS 277.A N THR 273.A O no hydrogen 3.234 N/A TYR 278.A N GLN 274.A O no hydrogen 2.953 N/A LEU 279.A N HIS 275.A O no hydrogen 2.798 N/A ALA 280.A N ALA 276.A O no hydrogen 3.044 N/A SER 281.A N LYS 277.A O no hydrogen 2.978 N/A SER 281.A OG TYR 278.A O no hydrogen 2.568 N/A LYS 282.A N TYR 278.A O no hydrogen 3.197 N/A LYS 282.A N LEU 279.A O no hydrogen 3.002 N/A GLN 283.A N ALA 280.A O no hydrogen 3.137 N/A LEU 284.A N LEU 279.A O no hydrogen 3.053 N/A