Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 7w7y_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 4.A N TYR 1.A O no hydrogen 2.719 N/A GLU 5.A N ASP 2.A O no hydrogen 3.376 N/A MET 6.A N VAL 73.A O no hydrogen 2.845 N/A GLU 7.A N GLU 7.A OE1 no hydrogen 2.333 N/A ASP 10.A N GLU 7.A O no hydrogen 3.047 N/A ILE 11.A N ARG 8.A O no hydrogen 3.074 N/A THR 12.A N VAL 29.A O no hydrogen 2.972 N/A LYS 14.A N GLU 27.A O no hydrogen 2.730 N/A HIS 15.A N GLU 27.A O no hydrogen 3.095 N/A HIS 15.A ND1 GLU 27.A OE1 no hydrogen 3.226 N/A LEU 17.A N VAL 25.A O no hydrogen 2.781 N/A GLY 20.A N LEU 17.A O no hydrogen 2.599 N/A TYR 22.A OH ARG 136.A O no hydrogen 2.601 N/A GLY 23.A N GLY 20.A O no hydrogen 2.873 N/A VAL 25.A N GLY 23.A O no hydrogen 2.942 N/A TYR 26.A N VAL 39.A O no hydrogen 2.743 N/A TYR 26.A OH GLU 24.A OE2 no hydrogen 2.900 N/A GLU 27.A N HIS 15.A O no hydrogen 2.601 N/A GLY 28.A N VAL 37.A O no hydrogen 2.758 N/A VAL 29.A N THR 12.A O no hydrogen 2.657 N/A TRP 30.A N LEU 35.A O no hydrogen 2.726 N/A LYS 31.A N ASP 10.A O no hydrogen 3.018 N/A LYS 31.A NZ THR 9.A O no hydrogen 2.589 N/A LYS 31.A NZ THR 12.A OG1 no hydrogen 3.426 N/A TYR 33.A N TRP 30.A O no hydrogen 3.168 N/A SER 34.A N LYS 31.A O no hydrogen 3.271 N/A LEU 35.A N TRP 30.A O no hydrogen 3.197 N/A VAL 37.A N GLY 28.A O no hydrogen 2.788 N/A ALA 38.A N THR 84.A O no hydrogen 2.909 N/A VAL 39.A N TYR 26.A O no hydrogen 2.698 N/A LYS 40.A N ILE 82.A O no hydrogen 2.827 N/A THR 41.A N GLU 24.A O no hydrogen 2.811 N/A THR 41.A OG1 GLU 24.A O no hydrogen 3.383 N/A GLU 50.A N GLU 48.A OE2 no hydrogen 2.760 N/A PHE 52.A N GLU 48.A O no hydrogen 3.178 N/A LEU 53.A N VAL 49.A O no hydrogen 2.979 N/A LYS 54.A N GLU 50.A O no hydrogen 3.006 N/A GLU 55.A N GLU 51.A O no hydrogen 3.023 N/A ALA 56.A N PHE 52.A O no hydrogen 3.331 N/A ALA 57.A N LEU 53.A O no hydrogen 3.102 N/A VAL 58.A N LYS 54.A O no hydrogen 2.936 N/A MET 59.A N GLU 55.A O no hydrogen 3.259 N/A LYS 60.A N ALA 56.A O no hydrogen 3.397 N/A LYS 60.A N ALA 57.A O no hydrogen 3.320 N/A GLU 61.A N VAL 58.A O no hydrogen 3.083 N/A ILE 62.A N MET 59.A O no hydrogen 2.965 N/A LYS 63.A N TYR 122.A OH no hydrogen 2.949 N/A ASN 66.A N HIS 64.A ND1 no hydrogen 2.868 N/A ASN 66.A ND2 VAL 146.A O no hydrogen 2.946 N/A LEU 67.A N HIS 64.A O no hydrogen 3.249 N/A VAL 68.A N VAL 148.A O no hydrogen 3.268 N/A GLN 69.A N GLU 85.A OE2 no hydrogen 2.841 N/A GLN 69.A NE2 LEU 70.A O no hydrogen 2.993 N/A LEU 71.A N ILE 83.A O no hydrogen 2.802 N/A GLY 72.A N ILE 83.A O no hydrogen 3.105 N/A VAL 73.A N TRP 4.A O no hydrogen 3.127 N/A CYS 74.A N TYR 81.A O no hydrogen 2.920 N/A CYS 74.A SG MET 6.A O no hydrogen 3.244 N/A THR 75.A N GLU 5.A OE1 no hydrogen 2.368 N/A THR 75.A OG1 GLU 5.A OE1 no hydrogen 2.747 N/A TYR 81.A N CYS 74.A O no hydrogen 3.031 N/A ILE 82.A N LYS 40.A O no hydrogen 2.926 N/A ILE 83.A N GLY 72.A O no hydrogen 2.779 N/A THR 84.A N ALA 38.A O no hydrogen 2.944 N/A THR 84.A OG1 GLU 85.A O no hydrogen 3.208 N/A GLU 85.A N GLN 69.A O no hydrogen 3.127 N/A TYR 89.A N VAL 140.A O no hydrogen 2.870 N/A GLY 90.A N MET 87.A O no hydrogen 3.090 N/A ASN 91.A ND2 ASP 94.A OD2 no hydrogen 2.865 N/A LEU 92.A N CYS 138.A O no hydrogen 2.756 N/A ASP 94.A N ASN 91.A OD1 no hydrogen 2.851 N/A TYR 95.A N ASN 91.A O no hydrogen 3.115 N/A TYR 95.A OH HIS 144.A ND1 no hydrogen 2.938 N/A LEU 96.A N LEU 92.A O no hydrogen 2.921 N/A ARG 97.A N LEU 93.A O no hydrogen 3.147 N/A ARG 97.A NE GLY 204.A O no hydrogen 2.719 N/A ARG 97.A NH2 GLY 204.A O no hydrogen 2.851 N/A GLU 98.A N ASP 94.A O no hydrogen 2.959 N/A CYS 99.A SG LEU 96.A O no hydrogen 3.288 N/A GLN 102.A N ASN 100.A OD1 no hydrogen 2.918 N/A GLU 103.A N ASN 100.A O no hydrogen 3.083 N/A VAL 104.A N ASN 100.A O no hydrogen 2.830 N/A VAL 108.A N ASN 105.A OD1 no hydrogen 3.395 N/A LEU 109.A N ASN 105.A O no hydrogen 2.889 N/A LEU 110.A N ALA 106.A O no hydrogen 3.111 N/A TYR 111.A N VAL 107.A O no hydrogen 2.976 N/A MET 112.A N VAL 108.A O no hydrogen 2.890 N/A ALA 113.A N LEU 109.A O no hydrogen 3.087 N/A THR 114.A N LEU 110.A O no hydrogen 2.820 N/A THR 114.A OG1 LEU 110.A O no hydrogen 2.742 N/A GLN 115.A N TYR 111.A O no hydrogen 2.992 N/A GLN 115.A NE2 TYR 111.A O no hydrogen 3.386 N/A GLN 115.A NE2 HIS 144.A O no hydrogen 2.916 N/A ILE 116.A N MET 112.A O no hydrogen 3.065 N/A SER 117.A N ALA 113.A O no hydrogen 2.944 N/A SER 117.A OG ALA 113.A O no hydrogen 3.148 N/A SER 117.A OG THR 114.A O no hydrogen 3.049 N/A SER 117.A OG HIS 258.A ND1 no hydrogen 3.293 N/A SER 118.A N THR 114.A O no hydrogen 3.031 N/A SER 118.A OG HIS 64.A NE2 no hydrogen 3.236 N/A ALA 119.A N GLN 115.A O no hydrogen 3.169 N/A MET 120.A N ILE 116.A O no hydrogen 3.033 N/A GLU 121.A N SER 117.A O no hydrogen 2.795 N/A TYR 122.A N SER 118.A O no hydrogen 3.035 N/A LEU 123.A N ALA 119.A O no hydrogen 2.952 N/A GLU 124.A N MET 120.A O no hydrogen 2.878 N/A LYS 125.A N GLU 121.A O no hydrogen 2.993 N/A LYS 126.A N LEU 123.A O no hydrogen 3.093 N/A LYS 126.A NZ TYR 122.A OH no hydrogen 3.433 N/A PHE 128.A N LEU 123.A O no hydrogen 2.811 N/A ILE 129.A N SER 154.A O no hydrogen 2.970 N/A HIS 130.A N ASP 189.A OD2 no hydrogen 2.693 N/A HIS 130.A NE2 ALA 149.A O no hydrogen 2.592 N/A ARG 131.A N ASP 189.A OD1 no hydrogen 2.914 N/A ARG 131.A NE SER 154.A OG no hydrogen 3.297 N/A ARG 131.A NH2 SER 154.A OG no hydrogen 2.947 N/A ASP 132.A N HIS 130.A ND1 no hydrogen 3.018 N/A ALA 135.A N GLU 199.A OE1 no hydrogen 2.876 N/A ARG 136.A NH2 ASP 132.A OD1 no hydrogen 3.186 N/A ASN 137.A N ALA 134.A O no hydrogen 2.922 N/A ASN 137.A ND2 ASP 132.A O no hydrogen 2.823 N/A CYS 138.A N ALA 135.A O no hydrogen 2.978 N/A CYS 138.A SG ALA 134.A O no hydrogen 3.606 N/A LEU 139.A N LYS 147.A O no hydrogen 2.797 N/A VAL 140.A N GLY 90.A O no hydrogen 2.820 N/A GLY 141.A N LEU 145.A O no hydrogen 2.809 N/A GLU 142.A N GLU 142.A OE1 no hydrogen 2.692 N/A HIS 144.A ND1 TYR 95.A OH no hydrogen 2.938 N/A LEU 145.A N GLU 142.A O no hydrogen 3.343 N/A VAL 146.A N GLN 115.A OE1 no hydrogen 2.865 N/A LYS 147.A N LEU 139.A O no hydrogen 2.879 N/A LYS 147.A NZ PRO 65.A O no hydrogen 3.419 N/A LYS 147.A NZ GLU 85.A OE1 no hydrogen 3.074 N/A LYS 147.A NZ GLU 85.A OE2 no hydrogen 2.789 N/A VAL 148.A N ASN 66.A O no hydrogen 2.769 N/A ALA 149.A N ASN 137.A O no hydrogen 2.940 N/A SER 154.A N ILE 129.A O no hydrogen 3.086 N/A ARG 155.A NH1 GLU 61.A OE1 no hydrogen 2.881 N/A ARG 155.A NH1 GLU 61.A OE2 no hydrogen 3.115 N/A ARG 155.A NH2 GLU 61.A OE2 no hydrogen 2.795 N/A LEU 156.A N ASN 127.A O no hydrogen 3.213 N/A ASP 160.A N MET 157.A O no hydrogen 2.780 N/A ALA 163.A N ASN 182.A O no hydrogen 2.819 N/A ALA 167.A N HIS 164.A O no hydrogen 3.151 N/A LYS 172.A NZ TYR 208.A O no hydrogen 2.661 N/A LYS 172.A NZ ILE 211.A O no hydrogen 2.902 N/A TRP 173.A N PRO 170.A O no hydrogen 2.966 N/A TRP 173.A NE1 GLU 199.A OE1 no hydrogen 2.986 N/A THR 174.A N ILE 171.A O no hydrogen 3.071 N/A THR 174.A OG1 PRO 170.A O no hydrogen 2.592 N/A GLU 177.A N GLU 177.A OE1 no hydrogen 2.769 N/A SER 178.A N ALA 175.A O no hydrogen 2.900 N/A SER 178.A OG LYS 183.A O no hydrogen 2.569 N/A LEU 179.A N ALA 175.A O no hydrogen 2.908 N/A ALA 180.A N PRO 176.A O no hydrogen 3.031 N/A TYR 181.A N GLU 177.A O no hydrogen 2.996 N/A ASN 182.A N SER 178.A O no hydrogen 2.912 N/A ASN 182.A ND2 ALA 163.A O no hydrogen 3.289 N/A LYS 183.A N GLU 177.A O no hydrogen 3.271 N/A SER 185.A N SER 188.A OG no hydrogen 2.825 N/A LYS 187.A N SER 185.A OG no hydrogen 2.925 N/A LYS 187.A NZ ARG 251.A O no hydrogen 2.977 N/A SER 188.A N SER 185.A O no hydrogen 3.008 N/A SER 188.A OG SER 185.A O no hydrogen 2.751 N/A ASP 189.A N SER 185.A O no hydrogen 3.202 N/A VAL 190.A N ILE 186.A O no hydrogen 2.969 N/A TRP 191.A N LYS 187.A O no hydrogen 3.045 N/A ALA 192.A N SER 188.A O no hydrogen 3.078 N/A PHE 193.A N ASP 189.A O no hydrogen 2.872 N/A GLY 194.A N VAL 190.A O no hydrogen 3.071 N/A VAL 195.A N TRP 191.A O no hydrogen 3.287 N/A LEU 196.A N ALA 192.A O no hydrogen 2.834 N/A LEU 197.A N PHE 193.A O no hydrogen 2.787 N/A TRP 198.A N GLY 194.A O no hydrogen 3.121 N/A GLU 199.A N VAL 195.A O no hydrogen 2.850 N/A ILE 200.A N LEU 196.A O no hydrogen 2.834 N/A ALA 201.A N LEU 197.A O no hydrogen 2.837 N/A THR 202.A N TRP 198.A O no hydrogen 3.068 N/A THR 202.A OG1 TRP 198.A O no hydrogen 2.788 N/A THR 202.A OG1 GLU 199.A O no hydrogen 3.179 N/A TYR 203.A N ILE 200.A O no hydrogen 3.058 N/A TYR 203.A OH VAL 104.A O no hydrogen 2.566 N/A GLY 204.A N GLU 199.A O no hydrogen 2.700 N/A MET 205.A N THR 202.A OG1 no hydrogen 3.247 N/A ILE 211.A N TYR 208.A O no hydrogen 3.084 N/A SER 214.A N ASP 212.A OD1 no hydrogen 3.014 N/A SER 214.A OG ASP 212.A OD1 no hydrogen 2.893 N/A SER 214.A OG ASP 212.A OD2 no hydrogen 2.663 N/A GLN 215.A N ASP 212.A O no hydrogen 2.966 N/A GLN 215.A NE2 ASP 212.A OD2 no hydrogen 3.211 N/A VAL 216.A N LEU 213.A O no hydrogen 3.227 N/A LEU 219.A N GLN 215.A O no hydrogen 3.020 N/A LEU 220.A N VAL 216.A O no hydrogen 2.875 N/A GLU 221.A N TYR 217.A O no hydrogen 2.948 N/A LYS 222.A N GLU 218.A O no hydrogen 3.326 N/A LYS 222.A N LEU 219.A O no hydrogen 3.029 N/A ASP 223.A N LEU 220.A O no hydrogen 3.010 N/A TYR 224.A N LEU 219.A O no hydrogen 2.999 N/A ARG 225.A NE TRP 244.A O no hydrogen 2.897 N/A ARG 225.A NH1 LEU 220.A O no hydrogen 2.949 N/A ARG 225.A NH1 TYR 224.A O no hydrogen 2.815 N/A ARG 225.A NH2 TRP 244.A O no hydrogen 2.860 N/A ARG 228.A NE CYS 232.A O no hydrogen 2.988 N/A CYS 232.A N PRO 229.A O no hydrogen 3.027 N/A CYS 232.A SG PRO 233.A O no hydrogen 3.549 N/A VAL 236.A N PRO 233.A O no hydrogen 2.982 N/A TYR 237.A N PRO 233.A O no hydrogen 2.990 N/A TYR 237.A OH MET 226.A O no hydrogen 2.655 N/A GLU 238.A N GLU 234.A O no hydrogen 2.860 N/A LEU 239.A N LYS 235.A O no hydrogen 3.276 N/A MET 240.A N VAL 236.A O no hydrogen 2.924 N/A ARG 241.A N TYR 237.A O no hydrogen 2.804 N/A ARG 241.A NH1 TYR 237.A OH no hydrogen 2.965 N/A ALA 242.A N GLU 238.A O no hydrogen 2.833 N/A CYS 243.A N LEU 239.A O no hydrogen 2.981 N/A CYS 243.A SG VAL 190.A O no hydrogen 3.589 N/A CYS 243.A SG LEU 239.A O no hydrogen 3.305 N/A TRP 244.A N ARG 241.A O no hydrogen 3.079 N/A GLN 245.A N ALA 242.A O no hydrogen 3.344 N/A SER 249.A N ASN 247.A OD1 no hydrogen 3.308 N/A SER 249.A OG ASN 247.A OD1 no hydrogen 3.120 N/A ASP 250.A N ASN 247.A O no hydrogen 2.902 N/A ARG 251.A N PRO 248.A O no hydrogen 3.201 N/A ARG 251.A NE GLN 245.A O no hydrogen 2.715 N/A ARG 251.A NH1 GLU 177.A OE2 no hydrogen 2.725 N/A ARG 251.A NH1 LYS 187.A O no hydrogen 3.155 N/A ARG 251.A NH2 GLU 177.A OE1 no hydrogen 2.836 N/A ARG 251.A NH2 GLU 177.A OE2 no hydrogen 3.564 N/A ARG 251.A NH2 GLN 245.A O no hydrogen 3.165 N/A ARG 251.A NH2 TRP 246.A O no hydrogen 2.951 N/A SER 253.A N GLU 256.A OE1 no hydrogen 3.112 N/A PHE 254.A N GLU 124.A OE2 no hydrogen 2.760 N/A ALA 255.A N GLU 124.A OE1 no hydrogen 3.184 N/A GLU 256.A N SER 253.A OG no hydrogen 3.140 N/A ILE 257.A N SER 253.A O no hydrogen 3.026 N/A HIS 258.A N PHE 254.A O no hydrogen 2.751 N/A HIS 258.A ND1 SER 117.A OG no hydrogen 3.293 N/A GLN 259.A N ALA 255.A O no hydrogen 3.099 N/A GLN 259.A NE2 GLN 259.A O no hydrogen 3.075 N/A GLN 259.A NE2 THR 263.A OG1 no hydrogen 3.256 N/A ALA 260.A N GLU 256.A O no hydrogen 2.983 N/A PHE 261.A N ILE 257.A O no hydrogen 3.004 N/A GLU 262.A N HIS 258.A O no hydrogen 2.780 N/A THR 263.A N GLN 259.A O no hydrogen 3.019 N/A THR 263.A OG1 GLN 259.A O no hydrogen 3.145 N/A MET 264.A N ALA 260.A O no hydrogen 3.103 N/A PHE 265.A N PHE 261.A O no hydrogen 2.677 N/A GLN 266.A N GLU 262.A O no hydrogen 2.819 N/A GLU 267.A N THR 263.A O no hydrogen 2.787 N/A SER 268.A N PHE 265.A O no hydrogen 3.007 N/A