Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4jdg_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 1.A N HIS 6.A NE2 no hydrogen 3.474 N/A TRP 1.A N ASP 126.A OD1 no hydrogen 3.063 N/A TRP 1.A N ASP 160.A OD1 no hydrogen 2.963 N/A SER 2.A N ASP 160.A O no hydrogen 3.151 N/A SER 2.A OG ASP 160.A O no hydrogen 3.431 N/A HIS 6.A N SER 2.A O no hydrogen 3.451 N/A VAL 7.A N LYS 3.A O no hydrogen 2.966 N/A MET 8.A N GLU 4.A O no hydrogen 3.158 N/A THR 9.A N GLY 5.A O no hydrogen 2.835 N/A THR 9.A OG1 GLY 5.A O no hydrogen 2.813 N/A CYS 10.A N HIS 6.A O no hydrogen 2.887 N/A CYS 10.A SG HIS 6.A O no hydrogen 3.329 N/A ARG 11.A N VAL 7.A O no hydrogen 2.846 N/A ILE 12.A N MET 8.A O no hydrogen 2.877 N/A ALA 13.A N THR 9.A O no hydrogen 2.860 N/A GLN 14.A N CYS 10.A O no hydrogen 2.690 N/A GLN 14.A NE2 GLY 35.A O no hydrogen 2.699 N/A GLY 15.A N ARG 11.A O no hydrogen 3.058 N/A LEU 16.A N ALA 13.A O no hydrogen 3.321 N/A LEU 17.A N GLN 14.A O no hydrogen 3.279 N/A ASN 18.A N ASN 262.A OD1 no hydrogen 2.810 N/A ASN 18.A ND2 ASN 262.A O no hydrogen 3.540 N/A ALA 21.A N ASN 18.A OD1 no hydrogen 2.850 N/A ALA 22.A N ASN 18.A O no hydrogen 3.068 N/A HIS 23.A N ASP 19.A O no hydrogen 3.025 N/A ALA 24.A N GLU 20.A O no hydrogen 3.124 N/A VAL 25.A N ALA 21.A O no hydrogen 3.271 N/A LYS 26.A N ALA 22.A O no hydrogen 3.025 N/A MET 27.A N HIS 23.A O no hydrogen 3.145 N/A LEU 28.A N ALA 24.A O no hydrogen 2.803 N/A LEU 29.A N LYS 26.A O no hydrogen 3.244 N/A VAL 33.A N PRO 30.A O no hydrogen 3.507 N/A ASN 34.A N GLU 31.A O no hydrogen 2.919 N/A ASP 36.A N VAL 33.A O no hydrogen 3.042 N/A LEU 37.A N GLN 14.A OE1 no hydrogen 2.959 N/A ALA 39.A N ASP 36.A O no hydrogen 2.947 N/A LEU 40.A N LEU 37.A O no hydrogen 2.942 N/A CYS 41.A SG LEU 37.A O no hydrogen 3.595 N/A TRP 43.A N LEU 40.A O no hydrogen 2.687 N/A ASP 45.A N VAL 42.A O no hydrogen 2.539 N/A GLN 46.A N TRP 43.A O no hydrogen 2.979 N/A VAL 47.A N TRP 43.A O no hydrogen 3.310 N/A ARG 48.A N PRO 44.A O no hydrogen 3.216 N/A HIS 49.A N GLN 46.A O no hydrogen 3.439 N/A TRP 50.A N VAL 47.A O no hydrogen 3.162 N/A TYR 53.A OH GLU 115.A OE1 no hydrogen 2.583 N/A LYS 54.A N TYR 51.A O no hydrogen 2.979 N/A THR 56.A N TYR 53.A O no hydrogen 3.097 N/A THR 56.A OG1 TYR 53.A O no hydrogen 3.127 N/A SER 57.A N LYS 54.A O no hydrogen 3.047 N/A SER 57.A OG LYS 54.A O no hydrogen 2.673 N/A LEU 59.A N THR 56.A O no hydrogen 3.074 N/A PHE 61.A N PRO 58.A O no hydrogen 3.446 N/A ILE 62.A N HIS 132.A O no hydrogen 2.742 N/A THR 64.A N GLY 134.A O no hydrogen 2.935 N/A THR 64.A OG1 PRO 65.A O no hydrogen 3.537 N/A THR 64.A OG1 GLY 134.A O no hydrogen 3.263 N/A ALA 68.A N PRO 65.A O no hydrogen 3.318 N/A CYS 69.A SG LYS 67.A O no hydrogen 3.620 N/A ASP 72.A N ASP 76.A OD2 no hydrogen 2.861 N/A TYR 73.A OH ASP 85.A OD1 no hydrogen 2.547 N/A TYR 73.A OH GLN 93.A OE1 no hydrogen 3.106 N/A ARG 75.A NE ASP 76.A OD1 no hydrogen 2.834 N/A ARG 75.A NE ASP 76.A OD2 no hydrogen 3.434 N/A ARG 75.A NH1 ASN 70.A OD1 no hydrogen 2.972 N/A ARG 75.A NH2 ASN 70.A O no hydrogen 2.656 N/A ARG 75.A NH2 ASN 70.A OD1 no hydrogen 3.043 N/A ARG 75.A NH2 ASP 76.A OD1 no hydrogen 3.487 N/A ARG 75.A NH2 ASP 76.A OD2 no hydrogen 2.743 N/A ASP 76.A N ASP 72.A O no hydrogen 2.694 N/A CYS 77.A N TYR 73.A O no hydrogen 2.554 N/A HIS 78.A N ASP 76.A O no hydrogen 2.584 N/A HIS 78.A ND1 ASP 79.A O no hydrogen 2.889 N/A HIS 78.A NE2 ARG 75.A O no hydrogen 2.469 N/A ASP 79.A N VAL 83.A O no hydrogen 3.227 N/A VAL 83.A N ASP 79.A OD1 no hydrogen 3.200 N/A ASP 85.A N CYS 77.A O no hydrogen 2.935 N/A CYS 87.A N ASP 85.A O no hydrogen 3.065 N/A VAL 88.A N PHE 61.A O no hydrogen 2.985 N/A ALA 91.A N CYS 87.A O no hydrogen 2.936 N/A ILE 92.A N VAL 88.A O no hydrogen 3.110 N/A GLN 93.A N ALA 89.A O no hydrogen 3.448 N/A ASN 94.A N GLY 90.A O no hydrogen 2.847 N/A PHE 95.A N ALA 91.A O no hydrogen 2.753 N/A THR 96.A N ILE 92.A O no hydrogen 2.964 N/A THR 96.A OG1 ILE 92.A O no hydrogen 2.515 N/A THR 97.A N GLN 93.A O no hydrogen 2.906 N/A THR 97.A OG1 GLN 93.A O no hydrogen 2.774 N/A GLN 98.A N ASN 94.A O no hydrogen 2.921 N/A GLN 98.A NE2 ASN 94.A OD1 no hydrogen 3.552 N/A LEU 99.A N PHE 95.A O no hydrogen 3.153 N/A SER 100.A N THR 96.A O no hydrogen 3.060 N/A SER 100.A N THR 97.A O no hydrogen 2.898 N/A SER 100.A OG THR 97.A O no hydrogen 2.840 N/A HIS 101.A N GLN 98.A O no hydrogen 3.016 N/A TYR 102.A N LEU 99.A O no hydrogen 3.209 N/A THR 106.A N HIS 101.A O no hydrogen 3.389 N/A ARG 110.A N SER 107.A O no hydrogen 2.957 N/A THR 114.A OG1 LEU 28.A O no hydrogen 2.645 N/A GLU 115.A N ASN 112.A OD1 no hydrogen 2.933 N/A ALA 116.A N ASN 112.A O no hydrogen 2.951 N/A LEU 117.A N MET 113.A O no hydrogen 2.698 N/A LEU 118.A N THR 114.A O no hydrogen 3.087 N/A PHE 119.A N GLU 115.A O no hydrogen 2.942 N/A LEU 120.A N ALA 116.A O no hydrogen 2.933 N/A SER 121.A N LEU 117.A O no hydrogen 3.109 N/A SER 121.A OG LEU 117.A O no hydrogen 2.890 N/A HIS 122.A N LEU 118.A O no hydrogen 2.980 N/A HIS 122.A ND1 CYS 41.A O no hydrogen 2.673 N/A PHE 123.A N PHE 119.A O no hydrogen 2.731 N/A MET 124.A N LEU 120.A O no hydrogen 2.727 N/A GLY 125.A N SER 121.A O no hydrogen 3.334 N/A ASP 126.A N HIS 122.A O no hydrogen 3.084 N/A ILE 127.A N PHE 123.A O no hydrogen 3.087 N/A HIS 128.A ND1 MET 124.A O no hydrogen 2.746 N/A GLN 129.A N ASP 126.A O no hydrogen 3.101 N/A GLN 129.A NE2 HIS 156.A O no hydrogen 3.625 N/A MET 131.A N GLN 129.A OE1 no hydrogen 2.679 N/A HIS 132.A N GLN 129.A O no hydrogen 2.710 N/A HIS 132.A ND1 HIS 60.A O no hydrogen 2.738 N/A VAL 133.A N PRO 130.A O no hydrogen 3.183 N/A PHE 135.A N TYR 225.A OH no hydrogen 2.901 N/A THR 136.A N THR 64.A O no hydrogen 2.812 N/A THR 136.A OG1 THR 64.A O no hydrogen 2.613 N/A SER 137.A N ASP 66.A OD1 no hydrogen 3.108 N/A SER 137.A OG ASP 66.A OD1 no hydrogen 3.473 N/A SER 137.A OG ASP 66.A OD2 no hydrogen 2.506 N/A ALA 139.A N THR 136.A O no hydrogen 3.043 N/A GLY 140.A N PHE 135.A O no hydrogen 3.090 N/A GLY 141.A N ASP 138.A O no hydrogen 3.176 N/A GLY 141.A N ASP 138.A OD1 no hydrogen 2.972 N/A ASN 142.A N ALA 139.A O no hydrogen 3.044 N/A ASN 142.A ND2 ALA 139.A O no hydrogen 2.750 N/A SER 143.A N ASP 138.A O no hydrogen 3.222 N/A ILE 144.A N GLY 141.A O no hydrogen 3.296 N/A LEU 146.A N SER 153.A O no hydrogen 3.389 N/A ARG 147.A N GLU 232.A O no hydrogen 2.838 N/A TRP 148.A N HIS 151.A O no hydrogen 3.081 N/A TRP 148.A NE1 THR 166.A OG1 no hydrogen 2.738 N/A PHE 149.A N LEU 234.A O no hydrogen 3.324 N/A SER 153.A N LEU 146.A O no hydrogen 3.180 N/A SER 153.A OG ASN 154.A O no hydrogen 3.562 N/A SER 153.A OG GLU 162.A OE2 no hydrogen 2.704 N/A LEU 155.A N ILE 144.A O no hydrogen 3.244 N/A HIS 156.A N GLY 141.A O no hydrogen 3.248 N/A HIS 156.A ND1 GLY 140.A O no hydrogen 2.671 N/A HIS 157.A N ASN 154.A OD1 no hydrogen 2.981 N/A VAL 158.A N ASN 154.A O no hydrogen 2.819 N/A TRP 159.A N LEU 155.A O no hydrogen 3.246 N/A TRP 159.A NE1 TYR 238.A OH no hydrogen 3.037 N/A ASP 160.A N HIS 156.A O no hydrogen 2.933 N/A ARG 161.A N HIS 157.A O no hydrogen 2.947 N/A ARG 161.A NE GLU 4.A OE1 no hydrogen 2.906 N/A ARG 161.A NE GLU 4.A OE2 no hydrogen 3.110 N/A ARG 161.A NH2 GLU 4.A OE2 no hydrogen 2.727 N/A GLU 162.A N HIS 157.A O no hydrogen 3.073 N/A ILE 163.A N VAL 158.A O no hydrogen 3.078 N/A ILE 164.A N ARG 161.A O no hydrogen 2.961 N/A LEU 165.A N ARG 161.A O no hydrogen 2.760 N/A THR 166.A N GLU 162.A O no hydrogen 2.717 N/A THR 166.A OG1 GLU 162.A O no hydrogen 2.946 N/A ALA 167.A N ILE 163.A O no hydrogen 3.226 N/A ALA 168.A N ILE 164.A O no hydrogen 2.986 N/A LYS 169.A N LEU 165.A O no hydrogen 2.878 N/A ASP 170.A N THR 166.A O no hydrogen 2.966 N/A TYR 171.A N ALA 167.A O no hydrogen 3.139 N/A TYR 172.A N ALA 168.A O no hydrogen 3.017 N/A TYR 172.A OH ASP 182.A OD2 no hydrogen 2.769 N/A LYS 174.A N ALA 168.A O no hydrogen 2.624 N/A ASP 175.A N TYR 172.A O no hydrogen 3.043 N/A LEU 178.A N ASP 175.A O no hydrogen 3.167 N/A LEU 179.A N ASP 175.A O no hydrogen 3.391 N/A GLU 180.A N ILE 176.A O no hydrogen 2.851 N/A GLU 181.A N ASN 177.A O no hydrogen 2.897 N/A ASP 182.A N LEU 178.A O no hydrogen 3.189 N/A ILE 183.A N LEU 179.A O no hydrogen 3.186 N/A GLU 184.A N GLU 180.A O no hydrogen 2.591 N/A GLY 185.A N GLU 181.A O no hydrogen 3.010 N/A ASP 186.A N ASP 182.A O no hydrogen 2.870 N/A THR 188.A N GLY 185.A O no hydrogen 2.917 N/A THR 188.A OG1 GLU 184.A O no hydrogen 2.907 N/A THR 188.A OG1 GLY 185.A O no hydrogen 3.068 N/A GLY 190.A N SER 193.A OG no hydrogen 2.605 N/A TRP 192.A N ASP 186.A O no hydrogen 2.639 N/A SER 193.A N GLY 190.A O no hydrogen 3.217 N/A SER 193.A OG GLY 190.A O no hydrogen 2.900 N/A ASP 195.A N TRP 192.A O no hydrogen 3.043 N/A TRP 199.A N ASP 195.A O no hydrogen 2.874 N/A ARG 200.A N LEU 196.A O no hydrogen 2.976 N/A ARG 200.A N ALA 197.A O no hydrogen 3.066 N/A SER 207.A N ASN 204.A OD1 no hydrogen 3.268 N/A SER 207.A OG CYS 202.A O no hydrogen 2.631 N/A CYS 208.A N ASN 204.A O no hydrogen 3.064 N/A CYS 208.A SG GLY 203.A O no hydrogen 3.057 N/A CYS 208.A SG ASN 204.A O no hydrogen 3.473 N/A VAL 209.A N VAL 205.A O no hydrogen 3.025 N/A ASN 210.A N PHE 206.A O no hydrogen 3.242 N/A ASN 210.A ND2 PHE 206.A O no hydrogen 2.591 N/A LYS 211.A N SER 207.A O no hydrogen 2.739 N/A LYS 211.A NZ GLU 201.A O no hydrogen 3.001 N/A PHE 212.A N CYS 208.A O no hydrogen 2.785 N/A ALA 213.A N VAL 209.A O no hydrogen 3.023 N/A THR 214.A N ASN 210.A O no hydrogen 2.961 N/A THR 214.A OG1 ASN 210.A O no hydrogen 2.704 N/A GLU 215.A N LYS 211.A O no hydrogen 2.881 N/A SER 216.A N PHE 212.A O no hydrogen 3.014 N/A SER 216.A OG ILE 127.A O no hydrogen 2.544 N/A SER 216.A OG PHE 212.A O no hydrogen 3.374 N/A ILE 217.A N ALA 213.A O no hydrogen 3.044 N/A ASN 218.A N THR 214.A O no hydrogen 3.051 N/A ILE 219.A N GLU 215.A O no hydrogen 3.007 N/A ALA 220.A N SER 216.A O no hydrogen 2.863 N/A CYS 221.A N ILE 217.A O no hydrogen 2.900 N/A CYS 221.A SG ILE 217.A O no hydrogen 3.499 N/A LYS 222.A N ASN 218.A O no hydrogen 2.763 N/A TRP 223.A N ILE 219.A O no hydrogen 2.706 N/A TYR 225.A N ALA 220.A O no hydrogen 2.830 N/A TYR 225.A OH ASP 138.A OD1 no hydrogen 2.633 N/A TYR 225.A OH ASP 138.A OD2 no hydrogen 3.257 N/A GLY 231.A N ASP 145.A O no hydrogen 2.707 N/A GLU 232.A N GLU 229.A O no hydrogen 3.345 N/A LEU 234.A N ARG 147.A O no hydrogen 2.939 N/A TYR 238.A OH GLY 224.A O no hydrogen 2.813 N/A PHE 239.A N SER 235.A O no hydrogen 3.024 N/A ASN 240.A N ASP 236.A O no hydrogen 2.797 N/A SER 241.A N ASP 237.A O no hydrogen 3.189 N/A SER 241.A OG ASP 237.A O no hydrogen 2.722 N/A SER 241.A OG TYR 238.A O no hydrogen 2.852 N/A ARG 242.A N TYR 238.A O no hydrogen 2.982 N/A ARG 242.A NE TRP 223.A O no hydrogen 2.918 N/A ARG 242.A NH1 SER 241.A OG no hydrogen 2.871 N/A ARG 242.A NH2 TRP 223.A O no hydrogen 3.255 N/A LEU 243.A N PHE 239.A O no hydrogen 2.713 N/A ILE 245.A N ARG 242.A O no hydrogen 2.961 N/A VAL 246.A N ARG 242.A O no hydrogen 3.217 N/A MET 247.A N LEU 243.A O no hydrogen 2.985 N/A LYS 248.A N PRO 244.A O no hydrogen 2.931 N/A ARG 249.A N ILE 245.A O no hydrogen 3.027 N/A ARG 249.A NE HIS 128.A O no hydrogen 3.049 N/A ARG 249.A NH1 GLU 215.A OE1 no hydrogen 2.515 N/A ARG 249.A NH1 GLN 252.A OE1 no hydrogen 2.653 N/A ARG 249.A NH2 PHE 212.A O no hydrogen 3.176 N/A ARG 249.A NH2 SER 216.A OG no hydrogen 2.853 N/A VAL 250.A N VAL 246.A O no hydrogen 3.006 N/A ALA 251.A N MET 247.A O no hydrogen 3.138 N/A GLN 252.A N LYS 248.A O no hydrogen 2.651 N/A GLY 253.A N ARG 249.A O no hydrogen 3.031 N/A GLY 254.A N VAL 250.A O no hydrogen 3.197 N/A ILE 255.A N ALA 251.A O no hydrogen 2.846 N/A ARG 256.A N GLN 252.A O no hydrogen 2.823 N/A ARG 256.A NE TRP 199.A O no hydrogen 2.743 N/A ARG 256.A NH1 HIS 128.A NE2 no hydrogen 3.153 N/A ARG 256.A NH1 GLU 215.A OE1 no hydrogen 2.896 N/A ARG 256.A NH2 GLU 215.A OE1 no hydrogen 3.445 N/A ARG 256.A NH2 GLU 215.A OE2 no hydrogen 2.811 N/A LEU 257.A N GLY 253.A O no hydrogen 2.874 N/A ALA 258.A N GLY 254.A O no hydrogen 3.079 N/A MET 259.A N ILE 255.A O no hydrogen 3.161 N/A LEU 260.A N ARG 256.A O no hydrogen 3.154 N/A LEU 261.A N LEU 257.A O no hydrogen 2.998 N/A ASN 262.A N ALA 258.A O no hydrogen 2.919 N/A ASN 262.A ND2 LEU 16.A O no hydrogen 3.237 N/A ASN 263.A N MET 259.A O no hydrogen 3.019 N/A VAL 264.A N LEU 260.A O no hydrogen 2.757 N/A PHE 265.A N LEU 261.A O no hydrogen 2.959 N/A GLY 266.A N ASN 262.A O no hydrogen 2.953 N/A