Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3g1k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N ILE 254.A O no hydrogen 3.107 N/A LYS 4.A N ASP 31.A OD2 no hydrogen 3.013 N/A LYS 4.A NZ GLU 28.A O no hydrogen 2.816 N/A LYS 4.A NZ GLU 28.A OE2 no hydrogen 3.524 N/A ILE 5.A N LEU 252.A O no hydrogen 2.740 N/A ILE 6.A N ILE 32.A O no hydrogen 3.081 N/A SER 7.A N ILE 250.A O no hydrogen 2.899 N/A SER 7.A OG GLN 36.A OE1 no hydrogen 3.549 N/A TRP 8.A N CYS 34.A O no hydrogen 2.992 N/A TRP 8.A NE1 HIS 247.A O no hydrogen 2.880 N/A VAL 10.A N GLN 36.A O no hydrogen 2.948 N/A ASN 11.A N ASN 9.A OD1 no hydrogen 3.147 N/A GLY 12.A N GLU 37.A O no hydrogen 2.706 N/A LEU 13.A N ILE 38.A O no hydrogen 3.034 N/A ARG 14.A NH2 GLN 44.A O no hydrogen 2.638 N/A VAL 16.A N GLY 12.A O no hydrogen 3.147 N/A HIS 17.A N LEU 13.A O no hydrogen 2.812 N/A ARG 18.A N ARG 14.A O no hydrogen 3.248 N/A LYS 19.A N VAL 16.A O no hydrogen 3.133 N/A PHE 21.A N VAL 16.A O no hydrogen 3.230 N/A TRP 24.A N GLY 20.A O no hydrogen 3.143 N/A PHE 25.A N PHE 21.A O no hydrogen 2.833 N/A MET 26.A N LEU 22.A O no hydrogen 2.910 N/A GLU 27.A N LYS 23.A O no hydrogen 3.090 N/A GLU 28.A N TRP 24.A O no hydrogen 3.006 N/A LYS 29.A N PHE 25.A O no hydrogen 3.140 N/A ASP 31.A N LYS 4.A O no hydrogen 2.956 N/A ILE 32.A N LYS 4.A O no hydrogen 3.356 N/A LEU 33.A N TYR 73.A O no hydrogen 2.705 N/A CYS 34.A N ILE 6.A O no hydrogen 2.703 N/A LEU 35.A N ALA 71.A O no hydrogen 2.771 N/A GLN 36.A N TRP 8.A O no hydrogen 3.034 N/A GLN 36.A NE2 SER 7.A OG no hydrogen 3.390 N/A GLN 36.A NE2 ASN 108.A OD1 no hydrogen 2.832 N/A ILE 38.A N GLY 69.A O no hydrogen 3.061 N/A LYS 39.A N SER 68.A O no hydrogen 2.665 N/A ALA 40.A N ILE 38.A O no hydrogen 2.589 N/A GLN 44.A N ALA 41.A O no hydrogen 2.860 N/A LEU 45.A N PRO 42.A O no hydrogen 3.262 N/A LEU 49.A N PRO 46.A O no hydrogen 2.945 N/A ARG 50.A N PRO 46.A O no hydrogen 3.473 N/A HIS 51.A N ARG 47.A O no hydrogen 2.854 N/A TYR 55.A N VAL 52.A O no hydrogen 3.179 N/A TYR 55.A OH PRO 30.A O no hydrogen 2.484 N/A ARG 56.A N THR 74.A O no hydrogen 3.008 N/A SER 57.A OG ARG 50.A O no hydrogen 2.782 N/A PHE 58.A N MET 72.A O no hydrogen 2.717 N/A THR 60.A N VAL 70.A O no hydrogen 2.887 N/A THR 60.A OG1 GLU 83.A OE1 no hydrogen 3.196 N/A GLU 63.A N THR 92.A O no hydrogen 3.363 N/A LYS 65.A NZ GLU 63.A O no hydrogen 3.323 N/A TYR 67.A OH GLU 93.A OE1 no hydrogen 3.332 N/A SER 68.A OG GLU 93.A O no hydrogen 2.870 N/A SER 68.A OG GLY 94.A O no hydrogen 3.512 N/A VAL 70.A N THR 60.A O no hydrogen 3.151 N/A ALA 71.A N LEU 35.A O no hydrogen 3.054 N/A MET 72.A N PHE 58.A O no hydrogen 2.777 N/A TYR 73.A N LEU 33.A O no hydrogen 3.000 N/A TYR 73.A OH LEU 49.A O no hydrogen 2.813 N/A THR 74.A N ARG 56.A O no hydrogen 2.920 N/A THR 74.A OG1 VAL 76.A O no hydrogen 2.622 N/A LYS 75.A N ASP 31.A O no hydrogen 3.120 N/A LYS 75.A NZ LYS 29.A O no hydrogen 3.207 N/A SER 79.A N ASP 100.A O no hydrogen 2.811 N/A SER 79.A OG ASP 100.A O no hydrogen 3.441 N/A SER 79.A OG ASP 102.A OD1 no hydrogen 2.443 N/A ARG 82.A N ILE 98.A O no hydrogen 2.769 N/A ARG 82.A NH1 ASP 134.A OD1 no hydrogen 3.124 N/A ARG 82.A NH1 ASP 134.A OD2 no hydrogen 3.456 N/A ARG 82.A NH2 ASP 134.A OD2 no hydrogen 2.782 N/A PHE 85.A N ASP 91.A OD2 no hydrogen 2.785 N/A GLY 86.A N ASP 91.A OD1 no hydrogen 2.858 N/A ARG 89.A NH1 GLU 126.A OE1 no hydrogen 2.740 N/A ARG 89.A NH2 GLU 126.A OE1 no hydrogen 3.486 N/A PHE 90.A N VAL 87.A O no hydrogen 3.379 N/A ASP 91.A N GLU 88.A O no hydrogen 3.015 N/A THR 92.A OG1 GLU 88.A O no hydrogen 3.453 N/A ARG 95.A NE GLU 93.A OE1 no hydrogen 2.974 N/A ARG 95.A NH1 TYR 110.A O no hydrogen 3.071 N/A ARG 95.A NH2 GLU 93.A OE1 no hydrogen 3.246 N/A GLN 97.A N ASN 108.A O no hydrogen 3.005 N/A GLN 97.A NE2 PHE 58.A O no hydrogen 3.038 N/A GLN 97.A NE2 THR 60.A OG1 no hydrogen 2.821 N/A ILE 98.A N ARG 82.A O no hydrogen 2.850 N/A ALA 99.A N LEU 106.A O no hydrogen 2.974 N/A ASP 100.A N SER 80.A O no hydrogen 2.933 N/A PHE 101.A N PHE 104.A O no hydrogen 2.897 N/A ASP 102.A N ASP 100.A OD1 no hydrogen 2.797 N/A ASP 103.A N PHE 101.A O no hydrogen 2.659 N/A LEU 105.A N ASN 144.A O no hydrogen 2.748 N/A LEU 106.A N ALA 99.A O no hydrogen 2.831 N/A TYR 107.A N ILE 146.A O no hydrogen 2.666 N/A TYR 107.A OH ASP 134.A OD2 no hydrogen 2.993 N/A ASN 108.A N GLN 97.A O no hydrogen 2.699 N/A ASN 108.A ND2 LEU 35.A O no hydrogen 3.309 N/A ASN 108.A ND2 GLN 97.A OE1 no hydrogen 2.770 N/A ILE 109.A N CYS 148.A O no hydrogen 3.019 N/A TYR 110.A N ARG 95.A O no hydrogen 2.974 N/A PHE 111.A N ASP 150.A O no hydrogen 2.884 N/A ARG 120.A N SER 117.A OG no hydrogen 3.401 N/A LYS 122.A N GLU 118.A O no hydrogen 2.745 N/A LYS 122.A NZ GLU 126.A OE1 no hydrogen 3.134 N/A LYS 122.A NZ GLU 126.A OE2 no hydrogen 2.951 N/A TYR 123.A N GLU 119.A O no hydrogen 2.832 N/A TYR 123.A OH ARG 89.A O no hydrogen 2.548 N/A LYS 124.A N ARG 120.A O no hydrogen 3.126 N/A LYS 124.A NZ ASN 152.A O no hydrogen 2.662 N/A LYS 124.A NZ THR 153.A OG1 no hydrogen 2.743 N/A LYS 124.A NZ GLU 176.A OE2 no hydrogen 2.993 N/A LEU 125.A N LEU 121.A O no hydrogen 2.971 N/A GLU 126.A N LYS 122.A O no hydrogen 2.818 N/A PHE 127.A N TYR 123.A O no hydrogen 2.857 N/A TYR 128.A N LYS 124.A O no hydrogen 2.798 N/A TYR 128.A OH PHE 151.A O no hydrogen 2.446 N/A TYR 128.A OH THR 153.A OG1 no hydrogen 2.938 N/A ASP 129.A N LEU 125.A O no hydrogen 2.993 N/A ALA 130.A N GLU 126.A O no hydrogen 2.875 N/A PHE 131.A N PHE 127.A O no hydrogen 2.950 N/A LEU 132.A N TYR 128.A O no hydrogen 2.924 N/A GLU 133.A N ASP 129.A O no hydrogen 2.966 N/A ASP 134.A N ALA 130.A O no hydrogen 3.087 N/A VAL 135.A N PHE 131.A O no hydrogen 2.969 N/A ASN 136.A N LEU 132.A O no hydrogen 3.028 N/A ASN 136.A ND2 ASN 186.A OD1 no hydrogen 3.338 N/A ARG 137.A N GLU 133.A O no hydrogen 3.227 N/A ARG 137.A NH1 GLU 138.A OE2 no hydrogen 2.645 N/A ARG 137.A NH2 ASP 134.A OD1 no hydrogen 2.789 N/A GLU 138.A N ASP 134.A O no hydrogen 3.365 N/A ARG 139.A N VAL 135.A O no hydrogen 2.913 N/A ARG 139.A NE ASP 140.A OD1 no hydrogen 2.744 N/A ARG 139.A NH1 ASN 186.A O no hydrogen 2.914 N/A ARG 139.A NH2 ASN 186.A O no hydrogen 3.438 N/A ASP 140.A N ASN 136.A O no hydrogen 2.676 N/A SER 141.A OG ARG 137.A O no hydrogen 3.292 N/A SER 141.A OG GLU 138.A O no hydrogen 2.429 N/A GLY 142.A N ARG 139.A O no hydrogen 2.854 N/A ARG 143.A N GLU 138.A O no hydrogen 3.349 N/A ARG 143.A NH1 ASP 100.A OD1 no hydrogen 2.867 N/A ARG 143.A NH1 ASP 100.A OD2 no hydrogen 2.659 N/A ARG 143.A NH2 ASP 100.A OD1 no hydrogen 3.427 N/A VAL 145.A N ASN 226.A OD1 no hydrogen 2.814 N/A ILE 146.A N LEU 105.A O no hydrogen 2.805 N/A ILE 147.A N PHE 224.A O no hydrogen 2.683 N/A CYS 148.A N TYR 107.A O no hydrogen 2.856 N/A CYS 148.A SG TYR 107.A O no hydrogen 3.715 N/A GLY 149.A N TYR 222.A O no hydrogen 3.319 N/A PHE 151.A N LEU 220.A O no hydrogen 2.889 N/A ASN 152.A N ASP 150.A OD1 no hydrogen 2.898 N/A ASN 152.A ND2 PHE 111.A O no hydrogen 2.916 N/A ASN 152.A ND2 PRO 112.A O no hydrogen 3.066 N/A THR 153.A OG1 TYR 128.A OH no hydrogen 2.938 N/A ALA 154.A N GLY 171.A O no hydrogen 3.097 N/A HIS 155.A NE2 ASP 181.A OD1 no hydrogen 3.084 N/A ARG 156.A N ASP 159.A OD2 no hydrogen 2.895 N/A ASP 159.A N ARG 156.A O no hydrogen 2.926 N/A LEU 160.A N GLU 157.A O no hydrogen 3.369 N/A ALA 161.A N GLY 217.A O no hydrogen 2.993 N/A GLU 165.A N GLU 165.A OE2 no hydrogen 2.688 N/A ASN 166.A N PRO 163.A O no hydrogen 3.150 N/A ASN 166.A ND2 ARG 162.A O no hydrogen 2.583 N/A SER 167.A OG PRO 163.A O no hydrogen 3.232 N/A SER 167.A OG LYS 164.A O no hydrogen 3.252 N/A VAL 169.A N ASN 166.A O no hydrogen 2.722 N/A SER 170.A OG GLU 176.A OE2 no hydrogen 3.170 N/A GLY 171.A N GLU 176.A OE1 no hydrogen 2.597 N/A PHE 172.A N VAL 169.A O no hydrogen 3.240 N/A LEU 173.A N GLU 176.A OE1 no hydrogen 3.164 N/A ARG 177.A N LEU 173.A O no hydrogen 2.934 N/A ARG 177.A NE HIS 155.A O no hydrogen 2.991 N/A ALA 178.A N PRO 174.A O no hydrogen 2.594 N/A TRP 179.A N VAL 175.A O no hydrogen 3.086 N/A ASP 181.A N ARG 177.A O no hydrogen 3.259 N/A LYS 182.A N ALA 178.A O no hydrogen 3.077 N/A LYS 182.A NZ ASP 129.A OD1 no hydrogen 3.458 N/A PHE 183.A N TRP 179.A O no hydrogen 2.759 N/A ILE 184.A N ILE 180.A O no hydrogen 3.031 N/A GLU 185.A N ASP 181.A O no hydrogen 2.947 N/A ASN 186.A N PHE 183.A O no hydrogen 3.231 N/A ASN 186.A ND2 LYS 182.A O no hydrogen 2.731 N/A GLY 187.A N ILE 184.A O no hydrogen 2.700 N/A TYR 188.A N ILE 184.A O no hydrogen 3.154 N/A TYR 188.A OH ASN 136.A OD1 no hydrogen 2.734 N/A VAL 189.A N VAL 225.A O no hydrogen 2.772 N/A THR 191.A N PHE 223.A O no hydrogen 2.946 N/A THR 191.A OG1 PHE 223.A O no hydrogen 2.819 N/A THR 191.A OG1 SER 236.A OG no hydrogen 2.755 N/A ARG 193.A N ASP 190.A O no hydrogen 3.110 N/A ARG 193.A NH1 ASN 196.A O no hydrogen 2.916 N/A ARG 193.A NH1 ASP 198.A O no hydrogen 3.451 N/A ARG 193.A NH2 ASP 159.A OD1 no hydrogen 2.964 N/A MET 194.A N THR 191.A O no hydrogen 3.030 N/A PHE 195.A N PHE 192.A O no hydrogen 3.114 N/A ASN 196.A N PHE 192.A O no hydrogen 3.013 N/A THR 203.A N TRP 218.A O no hydrogen 2.794 N/A THR 203.A OG1 ASP 221.A OD2 no hydrogen 3.358 N/A TRP 204.A N TRP 218.A O no hydrogen 2.907 N/A TRP 204.A NE1 ASP 246.A OD2 no hydrogen 2.971 N/A TRP 205.A N ASP 246.A O no hydrogen 3.107 N/A TRP 205.A NE1 ASN 215.A OD1 no hydrogen 2.826 N/A ARG 208.A N SER 206.A OG no hydrogen 3.170 N/A ARG 210.A N TYR 207.A O no hydrogen 3.354 N/A ALA 211.A N SER 206.A O no hydrogen 3.314 N/A ARG 212.A NH2 SER 240.A O no hydrogen 2.912 N/A ARG 212.A NH2 VAL 242.A O no hydrogen 3.014 N/A ARG 214.A N ALA 211.A O no hydrogen 3.245 N/A ASN 215.A N ARG 212.A O no hydrogen 2.941 N/A ASN 215.A ND2 GLY 200.A O no hydrogen 3.321 N/A VAL 216.A N ALA 211.A O no hydrogen 3.103 N/A TRP 218.A N TRP 204.A O no hydrogen 2.809 N/A ARG 219.A N ASP 159.A O no hydrogen 2.927 N/A ARG 219.A NE ASP 159.A OD1 no hydrogen 2.725 N/A ARG 219.A NH1 ASP 159.A OD1 no hydrogen 3.201 N/A ARG 219.A NH1 ASP 190.A OD2 no hydrogen 2.727 N/A ARG 219.A NH2 ASP 190.A OD1 no hydrogen 3.247 N/A LEU 220.A N THR 203.A OG1 no hydrogen 2.731 N/A ASP 221.A N THR 203.A OG1 no hydrogen 3.032 N/A TYR 222.A N GLY 149.A O no hydrogen 3.289 N/A TYR 222.A OH THR 153.A O no hydrogen 2.618 N/A PHE 224.A N ILE 147.A O no hydrogen 2.599 N/A VAL 225.A N VAL 189.A O no hydrogen 3.338 N/A ASN 226.A ND2 ASN 144.A OD1 no hydrogen 3.144 N/A ASN 226.A ND2 GLU 228.A OE1 no hydrogen 2.934 N/A GLU 227.A N GLY 187.A O no hydrogen 2.802 N/A GLU 228.A N GLU 228.A OE1 no hydrogen 2.928 N/A PHE 229.A N ASN 226.A O no hydrogen 2.606 N/A LYS 230.A N GLU 227.A O no hydrogen 3.199 N/A LYS 232.A N PHE 229.A O no hydrogen 3.079 N/A VAL 233.A N LYS 230.A O no hydrogen 3.252 N/A LYS 234.A N GLU 253.A O no hydrogen 2.743 N/A ARG 235.A N GLU 253.A O no hydrogen 3.194 N/A ARG 235.A NE GLU 253.A OE2 no hydrogen 2.845 N/A ARG 235.A NH2 GLU 253.A OE2 no hydrogen 3.538 N/A SER 236.A OG THR 191.A OG1 no hydrogen 2.755 N/A TRP 237.A N GLY 251.A O no hydrogen 3.023 N/A LEU 239.A N PRO 249.A O no hydrogen 3.101 N/A SER 240.A N ILE 238.A O no hydrogen 2.873 N/A VAL 242.A N LEU 239.A O no hydrogen 3.231 N/A SER 245.A OG ASN 9.A O no hydrogen 2.753 N/A SER 245.A OG ASP 246.A OD1 no hydrogen 3.276 N/A HIS 247.A N SER 245.A OG no hydrogen 3.320 N/A HIS 247.A ND1 ASP 221.A OD2 no hydrogen 2.879 N/A CYS 248.A N THR 203.A O no hydrogen 3.033 N/A CYS 248.A SG TYR 202.A O no hydrogen 3.868 N/A CYS 248.A SG PRO 249.A O no hydrogen 3.667 N/A ILE 250.A N SER 7.A O no hydrogen 2.919 N/A GLY 251.A N TRP 237.A O no hydrogen 3.039 N/A LEU 252.A N ILE 5.A O no hydrogen 2.806 N/A GLU 253.A N ARG 235.A O no hydrogen 2.971 N/A ILE 254.A N LEU 3.A O no hydrogen 2.946 N/A GLU 255.A N LYS 232.A O no hydrogen 2.760 N/A LEU 256.A N ALA 1.A O no hydrogen 2.803 N/A