Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3gu3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 4.A N ARG 1.A O no hydrogen 3.087 N/A TYR 4.A OH GLU 208.A OE1 no hydrogen 2.483 N/A TYR 5.A N ARG 1.A O no hydrogen 3.106 N/A TYR 5.A OH HIS 95.A NE2 no hydrogen 2.666 N/A ASN 6.A ND2 ASP 185.A OD2 no hydrogen 2.823 N/A VAL 10.A N ASN 6.A O no hydrogen 3.101 N/A SER 11.A N ASP 7.A O no hydrogen 3.152 N/A SER 11.A OG ASN 15.A OD1 no hydrogen 3.098 N/A PHE 12.A N ASP 8.A O no hydrogen 2.979 N/A LEU 13.A N TYR 9.A O no hydrogen 3.037 N/A VAL 14.A N VAL 10.A O no hydrogen 3.029 N/A ASN 15.A N SER 11.A O no hydrogen 2.851 N/A THR 16.A N PHE 12.A O no hydrogen 2.811 N/A VAL 17.A N PHE 12.A O no hydrogen 3.084 N/A TRP 18.A N LEU 13.A O no hydrogen 2.698 N/A LYS 19.A NZ THR 16.A O no hydrogen 2.898 N/A ILE 20.A N VAL 14.A O no hydrogen 2.847 N/A VAL 24.A N SER 47.A OG no hydrogen 3.070 N/A HIS 25.A N ASP 90.A OD2 no hydrogen 2.617 N/A ILE 26.A N LYS 48.A O no hydrogen 2.915 N/A VAL 27.A N ILE 91.A O no hydrogen 3.008 N/A ASP 28.A N THR 50.A O no hydrogen 2.718 N/A TYR 29.A N ILE 93.A O no hydrogen 2.966 N/A TYR 29.A OH SER 111.A OG no hydrogen 2.757 N/A CYS 31.A N ILE 52.A O no hydrogen 3.012 N/A CYS 31.A SG GLY 32.A O no hydrogen 3.490 N/A CYS 31.A SG ILE 52.A O no hydrogen 3.584 N/A GLY 32.A N ASP 53.A OD2 no hydrogen 2.813 N/A GLY 34.A N CYS 31.A O no hydrogen 2.768 N/A LEU 38.A N GLY 34.A O no hydrogen 2.978 N/A VAL 39.A N TYR 35.A O no hydrogen 3.084 N/A VAL 39.A N LEU 36.A O no hydrogen 3.238 N/A LEU 40.A N LEU 36.A O no hydrogen 2.850 N/A LEU 42.A N LEU 40.A O no hydrogen 2.824 N/A LEU 43.A N LEU 40.A O no hydrogen 2.883 N/A SER 47.A N PRO 44.A O no hydrogen 3.203 N/A SER 47.A OG PRO 44.A O no hydrogen 2.691 N/A LYS 48.A N VAL 24.A O no hydrogen 2.873 N/A TYR 49.A N ASP 72.A O no hydrogen 2.987 N/A TYR 49.A OH ASP 28.A OD1 no hydrogen 2.723 N/A THR 50.A N ILE 26.A O no hydrogen 2.956 N/A GLY 51.A N GLU 74.A O no hydrogen 2.884 N/A ILE 52.A N ASP 28.A O no hydrogen 2.813 N/A ASP 53.A N LEU 76.A O no hydrogen 3.132 N/A GLY 55.A N ASP 53.A OD1 no hydrogen 2.743 N/A LEU 59.A N GLY 55.A O no hydrogen 2.973 N/A ALA 60.A N GLU 56.A O no hydrogen 3.026 N/A GLU 61.A N THR 57.A O no hydrogen 3.034 N/A ALA 62.A N LEU 58.A O no hydrogen 2.890 N/A ARG 63.A N LEU 59.A O no hydrogen 2.934 N/A ARG 63.A NH2 PHE 75.A O no hydrogen 2.983 N/A GLU 64.A N ALA 60.A O no hydrogen 3.155 N/A LEU 65.A N GLU 61.A O no hydrogen 2.780 N/A PHE 66.A N ALA 62.A O no hydrogen 2.809 N/A ARG 67.A NE GLU 64.A OE1 no hydrogen 3.458 N/A ARG 67.A NE GLU 64.A OE2 no hydrogen 2.677 N/A ARG 67.A NH2 GLU 64.A OE1 no hydrogen 3.452 N/A LEU 69.A N PHE 66.A O no hydrogen 3.165 N/A SER 73.A OG TYR 71.A O no hydrogen 3.222 N/A GLU 74.A N TYR 49.A O no hydrogen 2.940 N/A LEU 76.A N GLY 51.A O no hydrogen 2.782 N/A GLY 78.A N ASP 53.A O no hydrogen 3.079 N/A THR 81.A N ASP 79.A OD2 no hydrogen 2.746 N/A THR 81.A OG1 ASP 79.A OD1 no hydrogen 2.980 N/A THR 81.A OG1 ASP 79.A OD2 no hydrogen 2.685 N/A GLU 82.A N ASP 79.A O no hydrogen 2.897 N/A ILE 83.A N ASP 79.A O no hydrogen 2.688 N/A TYR 89.A N SER 111.A O no hydrogen 2.888 N/A ASP 90.A N HIS 25.A O no hydrogen 2.832 N/A ILE 91.A N HIS 25.A O no hydrogen 3.412 N/A ALA 92.A N LYS 117.A O no hydrogen 2.947 N/A ILE 93.A N VAL 27.A O no hydrogen 2.811 N/A CYS 94.A N ILE 119.A O no hydrogen 3.301 N/A CYS 94.A SG GLU 122.A OE2 no hydrogen 3.457 N/A HIS 95.A NE2 TYR 5.A OH no hydrogen 2.666 N/A ALA 96.A N PHE 121.A O no hydrogen 2.777 N/A PHE 97.A N GLU 122.A OE2 no hydrogen 2.855 N/A LEU 98.A N GLU 122.A OE2 no hydrogen 2.906 N/A LEU 99.A N GLU 122.A OE1 no hydrogen 3.269 N/A HIS 100.A N PHE 97.A O no hydrogen 3.032 N/A THR 101.A OG1 THR 102.A OG1 no hydrogen 3.420 N/A THR 102.A OG1 THR 101.A OG1 no hydrogen 3.420 N/A GLU 104.A N GLU 104.A OE2 no hydrogen 2.664 N/A GLN 107.A N GLU 104.A O no hydrogen 2.888 N/A LYS 108.A N THR 105.A O no hydrogen 2.961 N/A LYS 108.A NZ ILE 83.A O no hydrogen 2.759 N/A HIS 110.A N GLN 107.A O no hydrogen 3.034 N/A SER 111.A N LYS 108.A O no hydrogen 3.276 N/A SER 111.A OG TYR 29.A OH no hydrogen 2.757 N/A VAL 112.A N ILE 109.A O no hydrogen 2.897 N/A LYS 113.A N TYR 89.A O no hydrogen 2.943 N/A LYS 113.A NZ ASP 90.A OD1 no hydrogen 3.160 N/A GLY 115.A N ILE 266.A O no hydrogen 3.072 N/A GLY 116.A N LYS 113.A O no hydrogen 2.711 N/A LYS 117.A N ASP 90.A O no hydrogen 2.791 N/A ILE 118.A N GLY 264.A O no hydrogen 3.248 N/A ILE 119.A N ALA 92.A O no hydrogen 2.871 N/A CYS 120.A N THR 262.A O no hydrogen 2.729 N/A PHE 121.A N CYS 94.A O no hydrogen 2.909 N/A GLU 122.A N LYS 260.A O no hydrogen 2.875 N/A HIS 124.A ND1 SER 127.A OG no hydrogen 2.632 N/A TRP 125.A N GLY 162.A O no hydrogen 3.148 N/A ILE 126.A N ASN 163.A OD1 no hydrogen 2.855 N/A SER 127.A OG HIS 124.A ND1 no hydrogen 2.632 N/A SER 127.A OG HIS 124.A O no hydrogen 3.010 N/A ASN 128.A N HIS 124.A O no hydrogen 2.934 N/A ASN 128.A ND2 TYR 256.A OH no hydrogen 2.993 N/A ASN 128.A ND2 PRO 258.A O no hydrogen 2.971 N/A SER 130.A N ASN 128.A O no hydrogen 2.999 N/A SER 130.A OG SER 127.A O no hydrogen 2.632 N/A LEU 132.A N VAL 255.A O no hydrogen 3.079 N/A ASP 134.A N SER 253.A O no hydrogen 3.046 N/A GLU 136.A N LEU 133.A O no hydrogen 3.159 N/A GLN 138.A NE2 ALA 129.A O no hydrogen 2.966 N/A GLN 138.A NE2 TYR 131.A O no hydrogen 2.794 N/A GLU 140.A N LYS 137.A O no hydrogen 2.718 N/A PHE 141.A N GLN 138.A O no hydrogen 3.116 N/A ILE 142.A N GLN 138.A O no hydrogen 2.891 N/A GLN 143.A NE2 SER 139.A O no hydrogen 2.718 N/A LEU 147.A N GLN 143.A O no hydrogen 2.940 N/A GLN 148.A N LEU 144.A O no hydrogen 2.769 N/A LYS 149.A N GLY 145.A O no hydrogen 3.228 N/A LEU 150.A N VAL 146.A O no hydrogen 2.776 N/A PHE 151.A N LEU 147.A O no hydrogen 2.875 N/A GLU 152.A N GLN 148.A O no hydrogen 3.298 N/A SER 153.A N LYS 149.A O no hydrogen 2.931 N/A SER 153.A OG LYS 149.A O no hydrogen 2.780 N/A ASP 154.A N LEU 150.A O no hydrogen 3.121 N/A THR 155.A N PHE 151.A O no hydrogen 3.277 N/A THR 155.A OG1 PHE 151.A O no hydrogen 3.055 N/A THR 155.A OG1 LYS 160.A O no hydrogen 3.209 N/A GLN 156.A N GLU 152.A O no hydrogen 3.127 N/A ARG 157.A N SER 153.A O no hydrogen 3.035 N/A ARG 157.A N ASP 154.A O no hydrogen 3.039 N/A ARG 157.A NH1 ASP 154.A OD1 no hydrogen 3.307 N/A ARG 157.A NH2 ASP 154.A OD1 no hydrogen 2.852 N/A ASN 163.A N ASP 161.A OD1 no hydrogen 2.783 N/A ILE 164.A N ASP 161.A O no hydrogen 3.300 N/A GLY 165.A N PRO 123.A O no hydrogen 2.928 N/A LYS 166.A NZ ASP 161.A OD2 no hydrogen 2.761 N/A ILE 167.A N ILE 164.A O no hydrogen 3.116 N/A TYR 170.A N LYS 166.A O no hydrogen 3.010 N/A LEU 171.A N ILE 167.A O no hydrogen 2.798 N/A SER 172.A N PRO 168.A O no hydrogen 2.894 N/A GLU 173.A N ILE 169.A O no hydrogen 2.983 N/A LEU 174.A N TYR 170.A O no hydrogen 3.060 N/A GLY 175.A N SER 172.A O no hydrogen 2.979 N/A VAL 176.A N LEU 171.A O no hydrogen 2.990 N/A LYS 177.A N GLU 265.A O no hydrogen 2.671 N/A GLU 180.A N PHE 263.A O no hydrogen 2.848 N/A CYS 181.A SG ILE 261.A O no hydrogen 4.018 N/A CYS 181.A SG THR 262.A OG1 no hydrogen 3.362 N/A ARG 182.A N ILE 261.A O no hydrogen 2.859 N/A ARG 182.A NE GLU 180.A OE1 no hydrogen 2.959 N/A ARG 182.A NH2 GLU 180.A OE1 no hydrogen 3.143 N/A SER 184.A OG TYR 4.A O no hydrogen 2.739 N/A LYS 186.A NZ ASN 6.A OD1 no hydrogen 3.391 N/A ASN 188.A N TYR 256.A O no hydrogen 2.615 N/A LEU 190.A N LEU 254.A O no hydrogen 2.757 N/A SER 192.A N SER 253.A OG no hydrogen 3.140 N/A SER 192.A OG HIS 251.A O no hydrogen 2.941 N/A ASN 193.A N ASP 191.A OD1 no hydrogen 2.848 N/A ASP 197.A N HIS 195.A ND1 no hydrogen 2.725 N/A LYS 198.A N HIS 195.A O no hydrogen 3.017 N/A LYS 198.A NZ ASP 191.A O no hydrogen 2.968 N/A ASN 199.A N HIS 195.A O no hydrogen 3.377 N/A ASP 200.A N ASN 196.A O no hydrogen 2.881 N/A LEU 201.A N ASP 197.A O no hydrogen 3.002 N/A TYR 202.A N LYS 198.A O no hydrogen 3.167 N/A GLN 203.A N ASN 199.A O no hydrogen 3.132 N/A SER 204.A N ASP 200.A O no hydrogen 3.002 N/A SER 204.A OG ASP 200.A O no hydrogen 3.200 N/A LEU 205.A N LEU 201.A O no hydrogen 2.929 N/A LYS 206.A N TYR 202.A O no hydrogen 2.990 N/A LYS 206.A NZ ILE 210.A O no hydrogen 3.116 N/A LYS 206.A NZ ALA 211.A O no hydrogen 3.203 N/A GLU 207.A N GLN 203.A O no hydrogen 2.848 N/A GLU 208.A N SER 204.A O no hydrogen 3.011 N/A GLU 208.A N LEU 205.A O no hydrogen 3.218 N/A GLY 209.A N LYS 206.A O no hydrogen 2.837 N/A ILE 210.A N LEU 205.A O no hydrogen 3.229 N/A GLY 215.A N ASP 213.A OD1 no hydrogen 2.857 N/A GLN 219.A N ASP 216.A OD2 no hydrogen 2.797 N/A PHE 220.A N ASP 216.A O no hydrogen 3.044 N/A VAL 221.A N LYS 217.A O no hydrogen 2.981 N/A GLU 222.A N GLN 218.A O no hydrogen 3.021 N/A ARG 223.A N GLN 219.A O no hydrogen 2.937 N/A LEU 224.A N PHE 220.A O no hydrogen 3.057 N/A ILE 225.A N VAL 221.A O no hydrogen 2.915 N/A ALA 226.A N GLU 222.A O no hydrogen 3.066 N/A ARG 227.A N LEU 224.A O no hydrogen 2.736 N/A ARG 227.A NE ASP 154.A OD1 no hydrogen 2.980 N/A ARG 227.A NH2 ASP 154.A OD1 no hydrogen 3.495 N/A ARG 227.A NH2 ASP 154.A OD2 no hydrogen 2.736 N/A GLY 228.A N ILE 225.A O no hydrogen 3.183 N/A ASN 233.A N THR 230.A OG1 no hydrogen 3.320 N/A ALA 234.A N THR 230.A O no hydrogen 3.166 N/A LEU 235.A N TYR 231.A O no hydrogen 2.983 N/A ALA 236.A N ASP 232.A O no hydrogen 3.279 N/A GLN 237.A N ASN 233.A O no hydrogen 2.898 N/A TYR 238.A N ALA 234.A O no hydrogen 2.971 N/A GLU 239.A N LEU 235.A O no hydrogen 2.895 N/A ALA 240.A N ALA 236.A O no hydrogen 2.926 N/A GLU 241.A N GLN 237.A O no hydrogen 2.874 N/A LEU 242.A N TYR 238.A O no hydrogen 2.825 N/A ARG 243.A N GLU 239.A O no hydrogen 3.054 N/A ARG 243.A NE GLU 136.A OE1 no hydrogen 3.021 N/A ARG 243.A NH2 GLU 136.A OE2 no hydrogen 2.701 N/A PHE 244.A N ALA 240.A O no hydrogen 3.129 N/A PHE 245.A N GLU 241.A O no hydrogen 2.998 N/A LYS 246.A N LEU 242.A O no hydrogen 3.056 N/A ALA 247.A N ARG 243.A O no hydrogen 2.811 N/A LEU 248.A N PHE 244.A O no hydrogen 3.040 N/A HIS 249.A N SER 252.A OG no hydrogen 2.977 N/A SER 252.A N HIS 249.A O no hydrogen 2.882 N/A SER 252.A OG ALA 247.A O no hydrogen 3.358 N/A SER 252.A OG HIS 249.A O no hydrogen 3.127 N/A LEU 254.A N LEU 190.A O no hydrogen 2.965 N/A VAL 255.A N LEU 132.A O no hydrogen 2.978 N/A TYR 256.A N ASN 188.A O no hydrogen 2.815 N/A ALA 257.A N SER 130.A O no hydrogen 3.308 N/A ASN 259.A ND2 ALA 257.A O no hydrogen 3.288 N/A LYS 260.A NZ SER 127.A OG no hydrogen 2.936 N/A LYS 260.A NZ ASN 259.A O no hydrogen 3.115 N/A LYS 260.A NZ ASN 259.A OD1 no hydrogen 2.732 N/A ILE 261.A N ARG 182.A O no hydrogen 2.792 N/A THR 262.A N CYS 120.A O no hydrogen 2.857 N/A PHE 263.A N GLU 180.A O no hydrogen 2.981 N/A GLY 264.A N ILE 118.A O no hydrogen 3.175 N/A GLU 265.A N LYS 177.A O no hydrogen 2.520 N/A ILE 266.A N GLY 116.A O no hydrogen 3.032 N/A