Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1g9r_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ILE 2.A N ARG 31.A O no hydrogen 2.868 N/A VAL 3.A N LEU 99.A O no hydrogen 2.922 N/A PHE 4.A N HIS 33.A O no hydrogen 3.085 N/A ALA 6.A N LEU 35.A O no hydrogen 3.025 N/A TYR 10.A N ASP 7.A O no hydrogen 3.072 N/A TYR 10.A N ASP 7.A OD1 no hydrogen 3.347 N/A ALA 11.A N ASP 8.A O no hydrogen 3.096 N/A LEU 14.A N TYR 10.A O no hydrogen 2.854 N/A CYS 15.A N ALA 11.A O no hydrogen 3.260 N/A CYS 15.A SG VAL 47.A O no hydrogen 3.992 N/A VAL 16.A N ALA 12.A O no hydrogen 3.359 N/A ALA 17.A N TYR 13.A O no hydrogen 2.947 N/A ALA 18.A N LEU 14.A O no hydrogen 2.823 N/A LYS 19.A N CYS 15.A O no hydrogen 2.975 N/A LYS 19.A NZ SER 259.A OG no hydrogen 2.878 N/A SER 20.A N VAL 16.A O no hydrogen 2.957 N/A SER 20.A OG ALA 17.A O no hydrogen 2.624 N/A VAL 21.A N ALA 17.A O no hydrogen 3.174 N/A GLU 22.A N ALA 18.A O no hydrogen 3.083 N/A ALA 23.A N LYS 19.A O no hydrogen 2.908 N/A ALA 24.A N SER 20.A O no hydrogen 3.238 N/A HIS 25.A N GLU 22.A O no hydrogen 3.045 N/A HIS 25.A ND1 VAL 21.A O no hydrogen 2.697 N/A THR 28.A N HIS 25.A O no hydrogen 3.300 N/A ARG 31.A NE ASP 1.A OD1 no hydrogen 3.310 N/A ARG 31.A NE ASP 1.A OD2 no hydrogen 2.703 N/A ARG 31.A NH2 ASP 1.A OD1 no hydrogen 2.727 N/A PHE 32.A N ASN 57.A O no hydrogen 2.791 N/A HIS 33.A N ILE 2.A O no hydrogen 2.812 N/A HIS 33.A NE2 ASP 1.A OD2 no hydrogen 2.710 N/A VAL 34.A N ARG 59.A O no hydrogen 2.819 N/A LEU 35.A N PHE 4.A O no hydrogen 2.845 N/A ASP 36.A N ILE 61.A O no hydrogen 2.726 N/A ALA 37.A N ALA 6.A O no hydrogen 3.097 N/A GLY 38.A N ASP 36.A OD1 no hydrogen 2.742 N/A ILE 39.A N ASP 36.A OD1 no hydrogen 2.655 N/A SER 40.A N ASP 8.A OD1 no hydrogen 2.813 N/A SER 40.A OG ASP 8.A OD1 no hydrogen 3.370 N/A ASN 43.A N SER 40.A OG no hydrogen 2.969 N/A ASN 43.A ND2 ASP 8.A OD1 no hydrogen 2.668 N/A ARG 44.A N SER 40.A O no hydrogen 2.988 N/A ARG 44.A NH1 ASP 36.A OD2 no hydrogen 2.550 N/A ALA 45.A N GLU 41.A O no hydrogen 3.055 N/A ALA 46.A N ALA 42.A O no hydrogen 2.975 N/A VAL 47.A N ASN 43.A O no hydrogen 2.927 N/A ALA 48.A N ARG 44.A O no hydrogen 3.014 N/A ALA 49.A N ALA 45.A O no hydrogen 2.768 N/A ASN 50.A N VAL 47.A O no hydrogen 3.296 N/A ASN 50.A ND2 ALA 46.A O no hydrogen 2.887 N/A ASN 50.A ND2 THR 262.A O no hydrogen 2.698 N/A LEU 51.A N ALA 48.A O no hydrogen 3.025 N/A ARG 52.A N GLU 22.A OE1 no hydrogen 3.133 N/A ARG 52.A N GLU 22.A OE2 no hydrogen 3.019 N/A ARG 52.A NH1 HIS 25.A O no hydrogen 3.079 N/A ARG 52.A NH2 THR 28.A O no hydrogen 2.742 N/A GLY 54.A N LEU 51.A O no hydrogen 3.105 N/A GLY 55.A N ARG 52.A O no hydrogen 3.119 N/A ARG 59.A N PHE 32.A O no hydrogen 2.940 N/A ILE 61.A N VAL 34.A O no hydrogen 2.619 N/A VAL 63.A N ASP 36.A O no hydrogen 2.971 N/A GLU 66.A N ASN 64.A OD1 no hydrogen 2.798 N/A ASP 67.A N ASN 64.A O no hydrogen 3.020 N/A PHE 68.A N PRO 65.A O no hydrogen 3.170 N/A ALA 69.A N GLU 66.A O no hydrogen 2.939 N/A PHE 71.A N PHE 68.A O no hydrogen 3.077 N/A ASN 74.A ND2 GLN 181.A O no hydrogen 3.299 N/A ILE 75.A N GLN 183.A OE1 no hydrogen 2.991 N/A ILE 78.A N ILE 75.A O no hydrogen 3.019 N/A SER 79.A OG ASP 7.A OD2 no hydrogen 2.647 N/A THR 81.A OG1 ASP 7.A OD2 no hydrogen 3.413 N/A THR 82.A N SER 79.A O no hydrogen 3.197 N/A THR 82.A OG1 ASP 184.A OD1 no hydrogen 2.786 N/A TYR 83.A N ILE 80.A O no hydrogen 3.090 N/A TYR 83.A OH PRO 72.A O no hydrogen 2.461 N/A ALA 84.A N THR 81.A O no hydrogen 2.955 N/A ARG 85.A NE THR 82.A O no hydrogen 2.771 N/A ARG 85.A NH2 THR 82.A O no hydrogen 3.392 N/A LEU 86.A N TYR 83.A O no hydrogen 2.999 N/A LYS 87.A N ALA 84.A O no hydrogen 3.085 N/A LYS 87.A NZ ASP 67.A OD1 no hydrogen 2.859 N/A LEU 88.A N ARG 85.A O no hydrogen 3.130 N/A GLU 90.A N LYS 87.A O no hydrogen 2.800 N/A TYR 91.A N LYS 87.A O no hydrogen 3.000 N/A ILE 92.A N LEU 88.A O no hydrogen 3.093 N/A CYS 95.A SG HIS 33.A NE2 no hydrogen 3.859 N/A CYS 95.A SG ASP 94.A OD2 no hydrogen 3.663 N/A LYS 97.A NZ TRP 115.A O no hydrogen 2.931 N/A LYS 97.A NZ THR 117.A O no hydrogen 2.904 N/A VAL 98.A N ILE 157.A O no hydrogen 3.296 N/A LEU 99.A N ASP 1.A O no hydrogen 2.814 N/A TYR 100.A N LEU 155.A O no hydrogen 2.736 N/A TYR 100.A OH ASP 102.A OD2 no hydrogen 2.781 N/A LEU 101.A N VAL 3.A O no hydrogen 2.920 N/A ASP 102.A N GLY 153.A O no hydrogen 2.899 N/A LEU 106.A N SER 232.A O no hydrogen 2.858 N/A VAL 107.A N SER 20.A OG no hydrogen 3.125 N/A ARG 108.A N ALA 230.A O no hydrogen 2.769 N/A ASP 109.A N ALA 230.A O no hydrogen 3.257 N/A LEU 111.A N HIS 25.A NE2 no hydrogen 2.846 N/A THR 112.A N SER 110.A OG no hydrogen 3.103 N/A THR 112.A OG1 SER 110.A OG no hydrogen 3.024 N/A TRP 115.A N LEU 111.A O no hydrogen 2.832 N/A ASP 116.A N THR 112.A O no hydrogen 2.720 N/A THR 117.A N LEU 114.A O no hydrogen 2.992 N/A THR 117.A OG1 PRO 113.A O no hydrogen 3.112 N/A THR 117.A OG1 LEU 114.A O no hydrogen 3.041 N/A GLY 120.A N ASP 118.A OD1 no hydrogen 3.128 N/A ASN 122.A N LEU 119.A O no hydrogen 2.880 N/A TRP 123.A N GLY 195.A O no hydrogen 2.866 N/A GLY 125.A N LEU 156.A O no hydrogen 2.779 N/A ALA 126.A N CYS 197.A O no hydrogen 2.887 N/A SER 127.A OG ASN 200.A O no hydrogen 3.109 N/A ASP 129.A N TYR 149.A O no hydrogen 2.915 N/A VAL 132.A N ASP 129.A OD1 no hydrogen 3.033 N/A GLU 133.A N ASP 129.A O no hydrogen 2.989 N/A ARG 134.A N LEU 130.A O no hydrogen 3.135 N/A GLN 135.A N VAL 132.A O no hydrogen 2.999 N/A GLN 135.A NE2 GLN 181.A OE1 no hydrogen 2.950 N/A TYR 138.A N GLN 135.A O no hydrogen 3.039 N/A TYR 138.A OH ASP 186.A OD2 no hydrogen 2.767 N/A LYS 139.A NZ GLU 133.A OE1 no hydrogen 2.476 N/A LYS 139.A NZ GLU 133.A OE2 no hydrogen 3.347 N/A LYS 139.A NZ ALA 144.A O no hydrogen 3.466 N/A LYS 139.A NZ ASP 145.A O no hydrogen 2.768 N/A LYS 139.A NZ GLU 147.A O no hydrogen 2.820 N/A GLN 140.A N GLN 140.A OE1 no hydrogen 2.576 N/A LYS 141.A N GLY 137.A O no hydrogen 3.391 N/A LYS 141.A N TYR 138.A O no hydrogen 2.782 N/A ILE 142.A N LYS 139.A O no hydrogen 3.278 N/A GLY 143.A N GLN 140.A O no hydrogen 2.903 N/A GLU 147.A N ALA 144.A O no hydrogen 2.958 N/A TYR 148.A N TYR 198.A OH no hydrogen 3.109 N/A TYR 148.A OH ASP 217.A OD1 no hydrogen 2.500 N/A TYR 149.A N GLU 133.A OE2 no hydrogen 3.002 N/A TYR 149.A OH ASP 186.A OD2 no hydrogen 2.657 N/A PHE 150.A N ASN 189.A OD1 no hydrogen 2.944 N/A ASN 151.A N SER 127.A O no hydrogen 2.905 N/A ASN 151.A ND2 ASP 129.A OD2 no hydrogen 2.929 N/A ALA 152.A N GLN 185.A OE1 no hydrogen 3.057 N/A GLY 153.A N ASN 151.A OD1 no hydrogen 2.844 N/A LEU 155.A N TYR 100.A O no hydrogen 2.868 N/A LEU 156.A N GLY 125.A O no hydrogen 2.908 N/A ILE 157.A N VAL 98.A O no hydrogen 2.828 N/A ASN 158.A N TRP 123.A O no hydrogen 3.177 N/A ASN 158.A ND2 ASN 122.A O no hydrogen 3.080 N/A LYS 160.A N ASP 96.A O no hydrogen 3.137 N/A LYS 160.A NZ ASP 96.A OD1 no hydrogen 3.361 N/A LYS 161.A N ASN 158.A OD1 no hydrogen 3.115 N/A LYS 161.A NZ ASP 121.A OD1 no hydrogen 3.155 N/A LYS 161.A NZ ASP 121.A OD2 no hydrogen 3.209 N/A TRP 162.A N ASN 158.A O no hydrogen 3.111 N/A TRP 162.A NE1 TRP 123.A O no hydrogen 3.051 N/A ARG 163.A N LEU 159.A O no hydrogen 2.881 N/A ARG 163.A NH1 CYS 95.A O no hydrogen 3.212 N/A ARG 163.A NH2 ILE 92.A O no hydrogen 3.180 N/A ARG 163.A NH2 CYS 95.A O no hydrogen 2.804 N/A ARG 164.A N LYS 161.A O no hydrogen 2.869 N/A HIS 165.A N TRP 162.A O no hydrogen 2.854 N/A LYS 169.A N ASP 166.A OD2 no hydrogen 3.042 N/A SER 170.A OG ILE 167.A O no hydrogen 2.698 N/A SER 171.A N PHE 168.A O no hydrogen 2.830 N/A SER 171.A OG PHE 168.A O no hydrogen 3.054 N/A GLU 172.A N LYS 169.A O no hydrogen 2.981 N/A VAL 174.A N SER 170.A O no hydrogen 2.907 N/A GLU 175.A N SER 171.A O no hydrogen 3.000 N/A GLN 176.A N GLU 172.A O no hydrogen 3.134 N/A TYR 177.A N TRP 173.A O no hydrogen 2.843 N/A VAL 180.A N TYR 177.A O no hydrogen 3.013 N/A GLN 181.A N ASP 186.A OD1 no hydrogen 2.839 N/A TYR 182.A N ASP 186.A OD1 no hydrogen 2.598 N/A TYR 182.A OH GLN 135.A OE1 no hydrogen 2.453 N/A GLN 185.A N TYR 182.A O no hydrogen 3.035 N/A GLN 185.A NE2 TYR 149.A OH no hydrogen 3.307 N/A ASP 186.A N GLN 183.A O no hydrogen 3.030 N/A ILE 187.A N GLN 183.A O no hydrogen 3.312 N/A LEU 188.A N ASP 184.A O no hydrogen 3.021 N/A ASN 189.A N GLN 185.A O no hydrogen 3.122 N/A ASN 189.A ND2 PHE 150.A O no hydrogen 2.925 N/A ASN 189.A ND2 GLN 185.A O no hydrogen 3.024 N/A GLY 190.A N ASP 186.A O no hydrogen 2.769 N/A LEU 191.A N ILE 187.A O no hydrogen 2.913 N/A PHE 192.A N LEU 188.A O no hydrogen 3.029 N/A LYS 193.A N ASN 189.A O no hydrogen 2.967 N/A LYS 193.A NZ GLY 190.A O no hydrogen 2.826 N/A GLY 195.A N PHE 192.A O no hydrogen 2.713 N/A CYS 197.A N LEU 124.A O no hydrogen 2.931 N/A ALA 199.A N ALA 126.A O no hydrogen 2.836 N/A SER 201.A N ARG 223.A O no hydrogen 2.896 N/A SER 201.A OG ASN 208.A OD1 no hydrogen 3.489 N/A SER 201.A OG ARG 223.A O no hydrogen 3.311 N/A ARG 202.A NE VAL 227.A O no hydrogen 2.858 N/A ARG 202.A NE PRO 228.A O no hydrogen 3.131 N/A ARG 202.A NH2 ASP 109.A OD2 no hydrogen 2.827 N/A ARG 202.A NH2 PRO 228.A O no hydrogen 2.799 N/A PHE 203.A N ASN 200.A O no hydrogen 3.075 N/A ASN 204.A N SER 201.A O no hydrogen 3.008 N/A ASN 204.A ND2 ASN 151.A OD1 no hydrogen 3.038 N/A PHE 205.A N VAL 231.A O no hydrogen 2.905 N/A ALA 210.A N PRO 206.A O no hydrogen 2.844 N/A PHE 211.A N THR 207.A O no hydrogen 2.965 N/A PHE 211.A N ASN 208.A O no hydrogen 3.184 N/A ARG 214.A NH1 ARG 214.A O no hydrogen 3.388 N/A HIS 215.A NE2 GLU 133.A OE1 no hydrogen 2.592 N/A LEU 219.A N ASP 217.A OD2 no hydrogen 3.027 N/A TYR 220.A N ASP 217.A OD1 no hydrogen 3.403 N/A ARG 221.A N ASP 217.A O no hydrogen 2.996 N/A ASP 222.A N PRO 218.A O no hydrogen 2.804 N/A ARG 223.A N LEU 219.A O no hydrogen 2.966 N/A ARG 223.A NE TYR 198.A O no hydrogen 2.904 N/A ARG 223.A NH1 ASP 222.A OD1 no hydrogen 2.967 N/A THR 224.A N TYR 220.A O no hydrogen 2.957 N/A THR 224.A OG1 TYR 220.A O no hydrogen 2.823 N/A ASN 225.A N ARG 221.A O no hydrogen 3.022 N/A ALA 230.A N ARG 202.A O no hydrogen 2.839 N/A VAL 231.A N ARG 202.A O no hydrogen 2.930 N/A SER 232.A N LEU 106.A O no hydrogen 2.907 N/A HIS 233.A N PHE 205.A O no hydrogen 2.914 N/A HIS 233.A ND1 ASN 204.A OD1 no hydrogen 2.862 N/A TYR 234.A N ASP 104.A O no hydrogen 3.053 N/A TYR 234.A OH TRP 248.A O no hydrogen 2.788 N/A LYS 239.A NZ ASP 104.A OD2 no hydrogen 2.716 N/A LYS 239.A NZ TYR 234.A O no hydrogen 2.985 N/A LYS 239.A NZ GLY 236.A O no hydrogen 2.780 N/A HIS 242.A N LYS 239.A O no hydrogen 2.845 N/A CYS 245.A SG LYS 239.A O no hydrogen 3.541 N/A ALA 250.A N ALA 247.A O no hydrogen 3.380 N/A ARG 252.A N GLY 249.A O no hydrogen 3.139 N/A ARG 252.A NE VAL 107.A O no hydrogen 3.467 N/A PHE 253.A N ALA 250.A O no hydrogen 2.881 N/A GLU 255.A N GLU 251.A O no hydrogen 3.122 N/A LEU 256.A N ARG 252.A O no hydrogen 2.989 N/A ALA 257.A N PHE 253.A O no hydrogen 2.825 N/A GLY 258.A N THR 254.A O no hydrogen 2.890 N/A SER 259.A N LEU 256.A O no hydrogen 2.967 N/A SER 259.A OG LEU 256.A O no hydrogen 2.667 N/A LEU 260.A N ALA 257.A O no hydrogen 3.435 N/A THR 262.A N ASN 50.A OD1 no hydrogen 2.581 N/A TRP 267.A N PRO 264.A O no hydrogen 2.674 N/A TRP 267.A NE1 ASN 43.A OD1 no hydrogen 2.723 N/A ARG 268.A N GLU 265.A O no hydrogen 3.180 N/A LYS 270.A NZ ASN 9.A O no hydrogen 2.776 N/A LYS 270.A NZ ASN 9.A OD1 no hydrogen 2.691 N/A LEU 271.A N TRP 267.A O no hydrogen 2.789 N/A