Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3bkv_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): HIS 2.A N HIS 1.A ND1 no hydrogen 2.565 N/A GLY 6.A N HIS 2.A O no hydrogen 2.829 N/A ILE 8.A N HIS 5.A O no hydrogen 3.058 N/A LEU 11.A N VAL 64.A O no hydrogen 3.025 N/A ARG 12.A N ASP 15.A OD2 no hydrogen 3.076 N/A GLY 14.A N PHE 41.A O no hydrogen 2.852 N/A ASP 15.A N ARG 12.A O no hydrogen 3.087 N/A GLY 17.A N GLY 39.A O no hydrogen 2.863 N/A CYS 21.A N GLY 17.A O no hydrogen 3.186 N/A GLN 22.A N ASP 18.A O no hydrogen 2.831 N/A LEU 23.A N GLU 19.A O no hydrogen 2.769 N/A GLN 24.A N VAL 20.A O no hydrogen 2.716 N/A GLN 24.A NE2 ASP 38.A OD1 no hydrogen 3.294 N/A GLN 24.A NE2 THR 45.A OG1 no hydrogen 3.070 N/A THR 25.A N CYS 21.A O no hydrogen 2.950 N/A THR 25.A OG1 CYS 21.A O no hydrogen 3.090 N/A LEU 26.A N GLN 22.A O no hydrogen 2.951 N/A LEU 27.A N LEU 23.A O no hydrogen 2.903 N/A ASN 28.A N GLN 24.A O no hydrogen 3.085 N/A ASN 28.A ND2 GLY 35.A O no hydrogen 2.822 N/A LEU 29.A N THR 25.A O no hydrogen 2.825 N/A CYS 30.A N LEU 27.A O no hydrogen 2.823 N/A CYS 30.A SG LEU 72.A O no hydrogen 3.809 N/A GLY 31.A N ASN 28.A O no hydrogen 2.931 N/A TYR 32.A N LEU 27.A O no hydrogen 3.063 N/A TYR 32.A OH ASP 55.A OD2 no hydrogen 2.675 N/A VAL 34.A N ASN 28.A OD1 no hydrogen 2.806 N/A GLY 35.A N ASP 33.A OD1 no hydrogen 2.981 N/A GLY 39.A N GLN 24.A OE1 no hydrogen 2.724 N/A ILE 40.A N ASP 38.A OD1 no hydrogen 2.652 N/A PHE 41.A N ASP 15.A O no hydrogen 2.932 N/A PHE 46.A N GLY 42.A O no hydrogen 3.031 N/A ASN 47.A N ASN 43.A O no hydrogen 2.790 N/A GLN 48.A N ASN 44.A O no hydrogen 3.053 N/A VAL 49.A N THR 45.A O no hydrogen 2.847 N/A VAL 50.A N PHE 46.A O no hydrogen 2.976 N/A LYS 51.A N ASN 47.A O no hydrogen 2.963 N/A LYS 51.A NZ ASP 55.A OD2 no hydrogen 3.325 N/A PHE 52.A N GLN 48.A O no hydrogen 2.813 N/A GLN 53.A N VAL 49.A O no hydrogen 2.814 N/A LYS 54.A N VAL 50.A O no hydrogen 2.813 N/A ASP 55.A N LYS 51.A O no hydrogen 2.793 N/A ASN 56.A N GLN 53.A O no hydrogen 3.314 N/A ASN 56.A ND2 PHE 52.A O no hydrogen 2.811 N/A CYS 57.A N LYS 54.A O no hydrogen 3.383 N/A LEU 58.A N GLN 53.A O no hydrogen 2.830 N/A ASP 61.A N ASP 59.A O no hydrogen 3.131 N/A ILE 63.A N ASP 61.A OD1 no hydrogen 2.827 N/A VAL 64.A N LEU 11.A O no hydrogen 2.960 N/A THR 68.A OG1 GLN 53.A OE1 no hydrogen 3.327 N/A TRP 69.A N GLY 65.A O no hydrogen 2.894 N/A TRP 69.A NE1 LYS 9.A O no hydrogen 3.038 N/A ALA 70.A N LYS 66.A O no hydrogen 2.861 N/A GLU 71.A N ASN 67.A O no hydrogen 3.037 N/A LEU 72.A N THR 68.A O no hydrogen 2.916 N/A PHE 73.A N TRP 69.A O no hydrogen 2.956 N/A SER 74.A N GLU 71.A O no hydrogen 3.295 N/A LYS 75.A N GLU 71.A O no hydrogen 2.989 N/A TYR 76.A N LEU 72.A O no hydrogen 3.080 N/A SER 77.A N LEU 29.A O no hydrogen 3.025 N/A SER 77.A OG LEU 29.A O no hydrogen 3.477 N/A ILE 80.A N LYS 153.A O no hydrogen 3.149 N/A TYR 82.A N TYR 154.A O no hydrogen 2.962 N/A LYS 83.A NZ TYR 82.A OH no hydrogen 2.610 N/A THR 84.A N PRO 81.A O no hydrogen 2.949 N/A THR 84.A OG1 PRO 81.A O no hydrogen 2.621 N/A ILE 85.A N TYR 82.A O no hydrogen 2.605 N/A LYS 91.A N PHE 123.A O no hydrogen 2.693 N/A ARG 93.A NH2 SER 118.A OG no hydrogen 3.062 N/A ARG 93.A NH2 HIS 258.A O no hydrogen 2.728 N/A ALA 95.A N SER 92.A O no hydrogen 3.021 N/A ALA 95.A N SER 92.A OG no hydrogen 3.049 N/A ALA 96.A N SER 92.A O no hydrogen 3.061 N/A ALA 96.A N ARG 93.A O no hydrogen 3.194 N/A THR 97.A N ARG 93.A O no hydrogen 3.182 N/A THR 97.A OG1 ARG 93.A O no hydrogen 2.901 N/A ALA 101.A N PRO 98.A O no hydrogen 3.153 N/A VAL 102.A N VAL 99.A O no hydrogen 3.061 N/A ASN 104.A N ASN 100.A O no hydrogen 3.137 N/A ASN 104.A ND2 ASN 100.A O no hydrogen 3.049 N/A ALA 105.A N ALA 101.A O no hydrogen 2.924 N/A THR 106.A N VAL 102.A O no hydrogen 2.772 N/A THR 106.A OG1 VAL 102.A O no hydrogen 2.766 N/A GLY 107.A N GLU 103.A O no hydrogen 2.565 N/A VAL 108.A N THR 106.A OG1 no hydrogen 3.203 N/A SER 110.A N GLU 103.A OE1 no hydrogen 2.720 N/A SER 110.A OG ASN 100.A OD1 no hydrogen 3.196 N/A GLN 111.A N GLN 111.A OE1 no hydrogen 2.786 N/A LEU 113.A N ARG 109.A O no hydrogen 3.232 N/A LEU 114.A N SER 110.A O no hydrogen 2.599 N/A THR 115.A N GLN 111.A O no hydrogen 2.870 N/A THR 115.A OG1 GLN 111.A O no hydrogen 3.100 N/A THR 115.A OG1 HIS 258.A O no hydrogen 3.381 N/A PHE 116.A N LEU 112.A O no hydrogen 3.137 N/A ALA 117.A N LEU 113.A O no hydrogen 3.054 N/A SER 118.A N LEU 114.A O no hydrogen 3.046 N/A ILE 119.A N THR 115.A O no hydrogen 2.852 N/A GLU 120.A N PHE 116.A O no hydrogen 2.808 N/A SER 121.A N ALA 117.A O no hydrogen 2.982 N/A SER 121.A OG ALA 117.A O no hydrogen 3.101 N/A SER 121.A OG ASP 124.A O no hydrogen 3.284 N/A SER 121.A OG TRP 137.A O no hydrogen 3.389 N/A ALA 122.A N SER 118.A O no hydrogen 2.885 N/A PHE 123.A N ALA 117.A O no hydrogen 3.328 N/A ASP 124.A N SER 121.A O no hydrogen 2.661 N/A GLU 126.A N ASP 124.A OD1 no hydrogen 2.749 N/A ILE 127.A N ASP 124.A O no hydrogen 3.362 N/A LYS 128.A NZ ALA 129.A O no hydrogen 2.937 N/A LYS 128.A NZ SER 132.A O no hydrogen 2.776 N/A ALA 129.A N ALA 134.A O no hydrogen 2.846 N/A THR 135.A N PHE 140.A O no hydrogen 3.073 N/A THR 135.A OG1 SER 133.A O no hydrogen 2.550 N/A GLY 136.A N ILE 127.A O no hydrogen 2.662 N/A TRP 137.A NE1 PHE 123.A O no hydrogen 2.803 N/A GLN 139.A N GLY 136.A O no hydrogen 2.939 N/A PHE 140.A N THR 135.A O no hydrogen 3.302 N/A TRP 145.A N LEU 141.A O no hydrogen 3.382 N/A TRP 145.A NE1 ASP 159.A OD2 no hydrogen 2.991 N/A LYS 146.A N THR 142.A O no hydrogen 3.281 N/A THR 147.A N GLY 143.A O no hydrogen 3.250 N/A GLU 149.A N LYS 146.A O no hydrogen 2.976 N/A ASN 150.A N THR 147.A O no hydrogen 3.366 N/A TYR 151.A OH GLU 180.A OE2 no hydrogen 2.640 N/A GLY 152.A N ILE 148.A O no hydrogen 3.202 N/A LYS 153.A NZ TYR 154.A OH no hydrogen 3.236 N/A TYR 154.A N GLY 152.A O no hydrogen 2.803 N/A TYR 154.A OH GLU 176.A OE2 no hydrogen 2.682 N/A VAL 156.A N GLY 152.A O no hydrogen 2.797 N/A GLY 162.A N ASP 159.A O no hydrogen 2.695 N/A LEU 164.A N ASP 159.A OD1 no hydrogen 3.225 N/A LEU 164.A N ASP 159.A OD2 no hydrogen 2.874 N/A ARG 165.A N GLY 162.A O no hydrogen 3.337 N/A ARG 165.A NE GLY 162.A O no hydrogen 2.800 N/A ARG 165.A NH1 PHE 140.A O no hydrogen 2.833 N/A LYS 166.A N ALA 163.A O no hydrogen 3.139 N/A ASP 167.A N LEU 164.A O no hydrogen 2.749 N/A ARG 169.A NE ASP 167.A OD1 no hydrogen 3.400 N/A ARG 169.A NE ASP 167.A OD2 no hydrogen 3.455 N/A ARG 169.A NH2 ASP 167.A OD2 no hydrogen 2.871 N/A ILE 170.A N ASP 167.A OD1 no hydrogen 3.335 N/A SER 171.A N ASP 167.A O no hydrogen 3.079 N/A SER 171.A OG ARG 165.A O no hydrogen 2.755 N/A SER 171.A OG ASP 167.A O no hydrogen 2.898 N/A ALA 172.A N PRO 168.A O no hydrogen 2.982 N/A LEU 173.A N ARG 169.A O no hydrogen 3.087 N/A ALA 175.A N ALA 172.A O no hydrogen 2.779 N/A GLU 176.A N LEU 173.A O no hydrogen 3.068 N/A ILE 178.A N GLY 174.A O no hydrogen 2.966 N/A LYS 179.A N ALA 175.A O no hydrogen 2.979 N/A LYS 179.A NZ THR 106.A O no hydrogen 2.618 N/A GLU 180.A N GLU 176.A O no hydrogen 3.016 N/A ASN 181.A N LEU 177.A O no hydrogen 2.877 N/A ILE 183.A N GLU 180.A O no hydrogen 3.248 N/A ILE 183.A N ASN 181.A O no hydrogen 3.276 N/A LEU 184.A N ASN 181.A O no hydrogen 3.166 N/A ARG 185.A NE GLU 191.A OE2 no hydrogen 2.796 N/A ARG 185.A NH1 ASN 182.A OD1 no hydrogen 2.859 N/A ARG 185.A NH2 GLU 191.A OE1 no hydrogen 2.877 N/A ARG 185.A NH2 GLU 191.A OE2 no hydrogen 2.495 N/A LEU 188.A N LEU 184.A O no hydrogen 2.669 N/A ARG 190.A N LEU 188.A O no hydrogen 2.416 N/A ARG 190.A NH1 ASP 196.A OD1 no hydrogen 3.052 N/A ARG 190.A NH2 ASP 196.A OD1 no hydrogen 3.272 N/A THR 193.A N ASP 196.A OD2 no hydrogen 2.499 N/A THR 193.A OG1 ASP 194.A OD1 no hydrogen 2.949 N/A THR 195.A OG1 ASP 194.A OD1 no hydrogen 3.299 N/A THR 195.A OG1 ASP 252.A OD1 no hydrogen 2.710 N/A LEU 197.A N THR 193.A O no hydrogen 2.776 N/A TYR 198.A N ASP 194.A O no hydrogen 2.694 N/A TYR 198.A OH GLU 120.A OE2 no hydrogen 2.479 N/A LEU 199.A N THR 195.A O no hydrogen 2.818 N/A ALA 200.A N ASP 196.A O no hydrogen 3.214 N/A HIS 201.A N LEU 197.A O no hydrogen 3.016 N/A HIS 201.A NE2 GLU 120.A OE1 no hydrogen 3.074 N/A HIS 201.A NE2 PHE 138.A O no hydrogen 3.191 N/A PHE 202.A N TYR 198.A O no hydrogen 2.841 N/A PHE 203.A N LEU 199.A O no hydrogen 2.855 N/A ALA 208.A N GLY 204.A O no hydrogen 3.156 N/A ARG 209.A N PRO 205.A O no hydrogen 2.732 N/A ARG 210.A N GLY 206.A O no hydrogen 3.037 N/A PHE 211.A N ALA 207.A O no hydrogen 2.664 N/A LEU 212.A N ALA 208.A O no hydrogen 2.709 N/A THR 213.A N ARG 210.A O no hydrogen 3.205 N/A THR 213.A OG1 THR 213.A O no hydrogen 2.672 N/A THR 214.A N PHE 211.A O no hydrogen 3.181 N/A THR 214.A OG1 THR 214.A O no hydrogen 2.333 N/A GLU 218.A N GLY 215.A O no hydrogen 2.854 N/A THR 222.A N LEU 219.A O no hydrogen 2.810 N/A PHE 224.A N ALA 220.A O no hydrogen 2.727 N/A PHE 224.A N ALA 221.A O no hydrogen 3.392 N/A GLU 227.A N GLU 227.A OE2 no hydrogen 2.733 N/A ALA 228.A N PHE 224.A O no hydrogen 2.819 N/A GLN 229.A N PRO 225.A O no hydrogen 2.781 N/A ALA 230.A N LYS 226.A O no hydrogen 2.928 N/A ASN 231.A N GLU 227.A O no hydrogen 2.620 N/A ILE 234.A N ASN 231.A O no hydrogen 2.981 N/A PHE 235.A N ASN 231.A O no hydrogen 3.245 N/A TYR 236.A N PRO 232.A O no hydrogen 2.575 N/A ASN 237.A N SER 241.A O no hydrogen 2.694 N/A ASN 237.A ND2 SER 241.A OG no hydrogen 2.597 N/A GLY 240.A N ASN 237.A O no hydrogen 2.923 N/A SER 241.A N ASP 239.A OD1 no hydrogen 2.690 N/A SER 241.A OG ASP 239.A OD1 no hydrogen 2.610 N/A LYS 243.A N PHE 235.A O no hydrogen 3.022 N/A LYS 243.A NZ ASN 237.A OD1 no hydrogen 2.899 N/A THR 244.A N GLU 247.A OE1 no hydrogen 2.751 N/A THR 244.A OG1 GLU 247.A OE1 no hydrogen 3.258 N/A ILE 245.A N GLU 218.A O no hydrogen 2.748 N/A GLN 246.A N GLN 216.A O no hydrogen 2.708 N/A GLN 246.A NE2 GLN 246.A O no hydrogen 3.574 N/A GLU 247.A N THR 244.A OG1 no hydrogen 3.307 N/A VAL 248.A N THR 244.A O no hydrogen 3.150 N/A TYR 249.A N ILE 245.A O no hydrogen 2.860 N/A ASN 250.A N GLN 246.A O no hydrogen 2.946 N/A LEU 251.A N GLU 247.A O no hydrogen 2.828 N/A GLY 253.A N ASN 250.A O no hydrogen 2.884 N/A LYS 254.A N LEU 251.A O no hydrogen 2.900 N/A ALA 256.A N ASP 252.A O no hydrogen 2.810 N/A HIS 258.A N VAL 255.A O no hydrogen 2.932 N/A HIS 258.A ND1 LYS 254.A O no hydrogen 3.217 N/A ARG 259.A NE ASP 194.A OD2 no hydrogen 2.591 N/A ARG 259.A NH1 ASP 194.A OD1 no hydrogen 3.150 N/A ARG 259.A NH1 ASP 194.A OD2 no hydrogen 3.492 N/A ARG 259.A NH1 ASP 252.A OD1 no hydrogen 2.851 N/A