Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3k4w_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 2.A NZ GLU 273.A OE2 no hydrogen 2.435 N/A ILE 4.A N LEU 268.A O no hydrogen 3.002 N/A ASP 5.A N GLN 61.A O no hydrogen 2.704 N/A PHE 6.A N PHE 238.A O no hydrogen 2.917 N/A ARG 7.A N ASP 5.A OD1 no hydrogen 2.930 N/A ARG 7.A NH2 GLU 123.A OE2 no hydrogen 3.264 N/A LEU 8.A N VAL 63.A O no hydrogen 3.025 N/A ARG 9.A N TYR 242.A O no hydrogen 2.876 N/A ARG 9.A NE TYR 242.A O no hydrogen 3.007 N/A ARG 9.A NH2 ALA 241.A O no hydrogen 2.937 N/A ALA 12.A N PRO 10.A O no hydrogen 2.823 N/A PHE 15.A N ALA 12.A O no hydrogen 3.005 N/A LEU 16.A N MET 13.A O no hydrogen 3.200 N/A ASN 17.A N GLY 14.A O no hydrogen 3.110 N/A ALA 18.A N PHE 15.A O no hydrogen 3.050 N/A ARG 19.A N LEU 72.A O no hydrogen 3.220 N/A TYR 21.A N ALA 18.A O no hydrogen 3.142 N/A TYR 21.A OH ARG 9.A O no hydrogen 2.629 N/A THR 22.A N ALA 18.A O no hydrogen 2.840 N/A THR 22.A OG1 ALA 18.A O no hydrogen 3.250 N/A ARG 23.A N ARG 19.A O no hydrogen 3.272 N/A ILE 26.A N ARG 23.A O no hydrogen 3.105 N/A ARG 27.A N ARG 23.A O no hydrogen 3.229 N/A ARG 27.A NE ASN 28.A OD1 no hydrogen 3.271 N/A ARG 27.A NH1 ILE 20.A O no hydrogen 3.020 N/A ARG 27.A NH2 ASN 28.A OD1 no hydrogen 3.168 N/A ASN 28.A N PRO 24.A O no hydrogen 2.865 N/A ASN 28.A ND2 GLU 43.A OE1 no hydrogen 3.286 N/A ARG 29.A NH2 GLN 33.A OE1 no hydrogen 2.577 N/A PHE 30.A N ILE 26.A O no hydrogen 3.278 N/A THR 31.A N ARG 27.A O no hydrogen 2.988 N/A THR 31.A OG1 ARG 27.A O no hydrogen 3.357 N/A THR 31.A OG1 MET 244.A O no hydrogen 2.735 N/A ARG 32.A N ASN 28.A O no hydrogen 2.948 N/A GLN 33.A N ARG 29.A O no hydrogen 2.845 N/A LEU 34.A N PHE 30.A O no hydrogen 2.985 N/A GLY 35.A N ARG 32.A O no hydrogen 2.837 N/A PHE 36.A N THR 31.A O no hydrogen 2.914 N/A SER 41.A N GLU 53.A OE2 no hydrogen 2.887 N/A SER 41.A OG GLU 53.A OE1 no hydrogen 2.511 N/A SER 41.A OG TYR 242.A OH no hydrogen 2.884 N/A ALA 42.A N ALA 39.A O no hydrogen 3.096 N/A GLU 43.A N ALA 39.A O no hydrogen 3.195 N/A GLU 44.A N PRO 40.A O no hydrogen 3.243 N/A LYS 45.A N ALA 42.A O no hydrogen 3.014 N/A LYS 45.A NZ TYR 21.A O no hydrogen 2.731 N/A SER 46.A N SER 41.A O no hydrogen 3.030 N/A LEU 49.A N SER 46.A OG no hydrogen 3.301 N/A MET 50.A N SER 46.A O no hydrogen 3.129 N/A PHE 51.A N LEU 47.A O no hydrogen 2.999 N/A GLU 52.A N GLU 48.A O no hydrogen 3.221 N/A GLU 53.A N LEU 49.A O no hydrogen 3.031 N/A MET 54.A N MET 50.A O no hydrogen 2.811 N/A ALA 55.A N PHE 51.A O no hydrogen 3.249 N/A ALA 56.A N GLU 52.A O no hydrogen 2.955 N/A ALA 57.A N GLU 53.A O no hydrogen 2.811 N/A GLY 58.A N ALA 55.A O no hydrogen 3.060 N/A ILE 59.A N MET 54.A O no hydrogen 2.810 N/A GLU 60.A N ILE 3.A O no hydrogen 2.735 N/A GLN 61.A N ILE 3.A O no hydrogen 3.237 N/A GLN 61.A NE2 GLU 60.A OE1 no hydrogen 2.928 N/A GLY 62.A N LYS 90.A O no hydrogen 2.891 N/A VAL 63.A N ASP 5.A O no hydrogen 2.758 N/A CYS 64.A N HIS 92.A O no hydrogen 2.945 N/A CYS 64.A SG LEU 8.A O no hydrogen 3.680 N/A ASN 68.A ND2 SER 96.A O no hydrogen 3.299 N/A SER 69.A OG VAL 126.A O no hydrogen 2.388 N/A VAL 71.A N SER 69.A OG no hydrogen 3.264 N/A LEU 72.A N SER 69.A OG no hydrogen 3.133 N/A SER 74.A OG SER 69.A O no hydrogen 3.212 N/A VAL 75.A N ARG 67.A O no hydrogen 2.961 N/A ASN 77.A ND2 SER 96.A O no hydrogen 2.847 N/A ASP 79.A N SER 76.A OG no hydrogen 3.306 N/A VAL 80.A N SER 76.A O no hydrogen 3.182 N/A ALA 81.A N ASN 77.A O no hydrogen 2.976 N/A ALA 82.A N ALA 78.A O no hydrogen 2.892 N/A ALA 82.A N ASP 79.A O no hydrogen 2.996 N/A VAL 83.A N ASP 79.A O no hydrogen 2.982 N/A ALA 84.A N VAL 80.A O no hydrogen 3.180 N/A LYS 85.A N ALA 81.A O no hydrogen 3.047 N/A ALA 86.A N ALA 82.A O no hydrogen 3.021 N/A TYR 87.A N VAL 83.A O no hydrogen 3.017 N/A LYS 90.A N TYR 87.A O no hydrogen 2.943 N/A LYS 90.A NZ GLU 60.A O no hydrogen 2.968 N/A PHE 91.A N TYR 87.A O no hydrogen 3.009 N/A HIS 92.A N GLY 62.A O no hydrogen 2.854 N/A HIS 92.A NE2 GLN 61.A OE1 no hydrogen 2.565 N/A VAL 94.A N CYS 64.A O no hydrogen 3.290 N/A GLY 95.A N ILE 119.A O no hydrogen 2.780 N/A SER 96.A N ASN 77.A OD1 no hydrogen 2.662 N/A SER 96.A OG GLY 66.A O no hydrogen 3.270 N/A ILE 97.A N ASN 121.A O no hydrogen 3.201 N/A GLU 98.A N GLN 108.A OE1 no hydrogen 3.058 N/A ALA 100.A N GLU 104.A OE1 no hydrogen 3.085 N/A GLU 104.A N THR 101.A O no hydrogen 2.972 N/A ALA 105.A N THR 101.A O no hydrogen 3.069 N/A MET 106.A N ARG 102.A O no hydrogen 3.081 N/A ALA 107.A N LYS 103.A O no hydrogen 3.279 N/A GLN 108.A N GLU 104.A O no hydrogen 3.105 N/A GLN 108.A NE2 GLU 98.A O no hydrogen 2.928 N/A MET 109.A N ALA 105.A O no hydrogen 2.813 N/A GLN 110.A N MET 106.A O no hydrogen 2.946 N/A GLN 110.A NE2 ASP 114.A OD1 no hydrogen 3.006 N/A GLU 111.A N ALA 107.A O no hydrogen 3.101 N/A ILE 112.A N GLN 108.A O no hydrogen 2.971 N/A LEU 113.A N MET 109.A O no hydrogen 3.058 N/A ASP 114.A N GLN 110.A O no hydrogen 2.839 N/A LEU 115.A N GLU 111.A O no hydrogen 2.824 N/A GLY 116.A N LEU 113.A O no hydrogen 3.017 N/A ILE 117.A N ILE 112.A O no hydrogen 3.186 N/A ARG 118.A NH1 LEU 113.A O no hydrogen 2.996 N/A ARG 118.A NH1 ILE 117.A O no hydrogen 3.292 N/A VAL 120.A N PRO 151.A O no hydrogen 3.347 N/A ASN 121.A N GLY 95.A O no hydrogen 2.597 N/A ASN 121.A ND2 GLY 66.A O no hydrogen 3.448 N/A LEU 122.A N ILE 153.A O no hydrogen 2.857 N/A VAL 126.A N GLU 123.A O no hydrogen 3.000 N/A TRP 127.A N PRO 124.A O no hydrogen 3.310 N/A ALA 128.A N GLU 98.A OE2 no hydrogen 2.887 N/A MET 131.A N PRO 124.A O no hydrogen 2.978 N/A ASP 135.A N HIS 132.A O no hydrogen 3.152 N/A ARG 137.A N ASP 135.A OD1 no hydrogen 2.783 N/A ARG 137.A NE ASP 135.A OD1 no hydrogen 3.023 N/A ARG 137.A NH2 ASP 135.A OD2 no hydrogen 2.876 N/A LEU 138.A N ASP 135.A O no hydrogen 2.867 N/A TYR 139.A N ARG 136.A O no hydrogen 3.063 N/A TYR 139.A OH ASP 178.A OD2 no hydrogen 2.517 N/A TYR 142.A N LEU 138.A O no hydrogen 3.045 N/A TYR 142.A OH VAL 133.A O no hydrogen 2.466 N/A ALA 143.A N TYR 139.A O no hydrogen 3.048 N/A PHE 144.A N PRO 140.A O no hydrogen 3.191 N/A CYS 145.A N LEU 141.A O no hydrogen 3.121 N/A CYS 145.A SG LEU 141.A O no hydrogen 3.387 N/A GLU 146.A N TYR 142.A O no hydrogen 2.835 N/A ASP 147.A N ALA 143.A O no hydrogen 3.013 N/A ASN 148.A N PHE 144.A O no hydrogen 2.848 N/A ASN 148.A ND2 PHE 144.A O no hydrogen 2.986 N/A GLY 149.A N GLU 146.A O no hydrogen 3.310 N/A ILE 150.A N CYS 145.A O no hydrogen 3.038 N/A VAL 152.A N THR 183.A O no hydrogen 2.844 N/A ILE 153.A N VAL 120.A O no hydrogen 2.781 N/A MET 154.A N VAL 185.A O no hydrogen 2.957 N/A MET 155.A N LEU 122.A O no hydrogen 3.092 N/A THR 156.A OG1 SER 186.A OG no hydrogen 2.705 N/A THR 156.A OG1 ASN 190.A OD1 no hydrogen 2.591 N/A GLY 158.A N TRP 191.A O no hydrogen 2.828 N/A THR 165.A N ASP 163.A OD1 no hydrogen 2.873 N/A THR 165.A OG1 ASP 163.A OD1 no hydrogen 2.414 N/A TYR 166.A N ASP 163.A O no hydrogen 3.130 N/A THR 167.A N ILE 164.A O no hydrogen 2.928 N/A THR 167.A OG1 ILE 164.A O no hydrogen 3.159 N/A ASN 168.A N THR 165.A O no hydrogen 3.182 N/A GLU 170.A N ASN 168.A OD1 no hydrogen 3.112 N/A HIS 171.A N ASN 168.A O no hydrogen 3.200 N/A HIS 171.A ND1 ASP 134.A OD1 no hydrogen 2.894 N/A ASP 173.A N PRO 169.A O no hydrogen 3.071 N/A ARG 174.A N GLU 170.A O no hydrogen 3.191 N/A ARG 174.A NH1 ASP 134.A OD2 no hydrogen 2.800 N/A LEU 176.A N ILE 172.A O no hydrogen 3.110 N/A GLY 177.A N ASP 173.A O no hydrogen 3.151 N/A ASP 178.A N ARG 174.A O no hydrogen 2.833 N/A ASP 178.A N VAL 175.A O no hydrogen 3.167 N/A PHE 179.A N VAL 175.A O no hydrogen 2.806 N/A ASP 181.A N GLU 146.A OE2 no hydrogen 2.796 N/A LEU 182.A N PHE 179.A O no hydrogen 2.993 N/A THR 183.A OG1 GLN 278.A OE1 no hydrogen 2.871 N/A VAL 184.A N ASN 206.A O no hydrogen 3.168 N/A VAL 185.A N VAL 152.A O no hydrogen 2.965 N/A SER 186.A N TYR 208.A O no hydrogen 2.869 N/A SER 186.A OG THR 156.A OG1 no hydrogen 2.705 N/A SER 187.A N MET 154.A O no hydrogen 2.911 N/A SER 187.A OG MET 154.A O no hydrogen 3.141 N/A HIS 188.A N SER 210.A O no hydrogen 2.874 N/A HIS 188.A N ASP 212.A OD2 no hydrogen 3.230 N/A HIS 188.A ND1 ASP 212.A OD1 no hydrogen 2.665 N/A HIS 188.A ND1 ASP 212.A OD2 no hydrogen 3.044 N/A GLY 189.A N SER 186.A O no hydrogen 3.161 N/A ASN 190.A ND2 THR 167.A O no hydrogen 2.602 N/A ASN 190.A ND2 ASN 190.A O no hydrogen 2.861 N/A TRP 191.A N HIS 188.A O no hydrogen 2.981 N/A TRP 191.A NE1 PRO 219.A O no hydrogen 2.989 N/A TRP 193.A N ASN 190.A O no hydrogen 2.957 N/A TRP 193.A NE1 THR 167.A OG1 no hydrogen 2.899 N/A ILE 197.A N TRP 193.A O no hydrogen 2.869 N/A ILE 198.A N VAL 194.A O no hydrogen 3.295 N/A VAL 200.A N GLU 196.A O no hydrogen 3.033 N/A ALA 201.A N ILE 197.A O no hydrogen 2.902 N/A PHE 202.A N ILE 198.A O no hydrogen 2.851 N/A ARG 203.A N HIS 199.A O no hydrogen 2.873 N/A ARG 203.A N VAL 200.A O no hydrogen 3.089 N/A ARG 204.A N VAL 200.A O no hydrogen 2.704 N/A ARG 204.A NE ASP 173.A OD1 no hydrogen 2.904 N/A ARG 204.A NH2 ASP 173.A OD1 no hydrogen 3.319 N/A ARG 204.A NH2 ASP 173.A OD2 no hydrogen 3.131 N/A ASN 206.A ND2 LEU 182.A O no hydrogen 2.650 N/A LEU 207.A N ARG 204.A O no hydrogen 3.218 N/A TYR 208.A N VAL 184.A O no hydrogen 2.760 N/A LEU 209.A N ARG 235.A O no hydrogen 2.878 N/A SER 210.A N SER 186.A O no hydrogen 3.113 N/A SER 210.A OG LEU 237.A O no hydrogen 3.424 N/A MET 213.A N ASP 212.A OD1 no hydrogen 2.804 N/A TYR 214.A N PRO 211.A O no hydrogen 2.930 N/A LEU 215.A N ASP 212.A O no hydrogen 3.162 N/A TYR 216.A N MET 213.A O no hydrogen 3.119 N/A HIS 221.A N LEU 218.A O no hydrogen 3.144 N/A HIS 221.A ND1 LEU 215.A O no hydrogen 2.801 N/A PHE 224.A N GLY 220.A O no hydrogen 2.936 N/A ILE 225.A N HIS 221.A O no hydrogen 3.086 N/A GLN 226.A N ALA 222.A O no hydrogen 2.876 N/A ALA 227.A N ASP 223.A O no hydrogen 3.150 N/A ALA 228.A N PHE 224.A O no hydrogen 2.908 N/A ASN 229.A N ILE 225.A O no hydrogen 3.181 N/A ASN 229.A ND2 ILE 225.A O no hydrogen 3.369 N/A ASN 229.A ND2 PRO 258.A O no hydrogen 2.801 N/A SER 230.A N ALA 227.A O no hydrogen 3.070 N/A SER 230.A OG.A GLN 226.A O no hydrogen 3.086 N/A SER 230.A OG.A ALA 227.A O no hydrogen 3.505 N/A LEU 232.A N ALA 227.A O no hydrogen 2.986 N/A ALA 233.A N SER 230.A O no hydrogen 3.379 N/A ARG 235.A N LEU 232.A O no hydrogen 2.858 N/A ARG 235.A NH1 ALA 201.A O no hydrogen 2.991 N/A ARG 235.A NH2 ALA 201.A O no hydrogen 2.900 N/A ARG 235.A NH2 LEU 207.A O no hydrogen 2.920 N/A LEU 237.A N LEU 209.A O no hydrogen 3.006 N/A PHE 238.A N ILE 267.A O no hydrogen 2.997 N/A THR 240.A N ASP 5.A OD1 no hydrogen 2.977 N/A THR 240.A OG1 ASP 5.A OD2 no hydrogen 2.663 N/A TYR 242.A N THR 240.A OG1 no hydrogen 2.858 N/A TYR 242.A OH SER 41.A OG no hydrogen 2.884 N/A MET 244.A N ALA 241.A O no hydrogen 2.659 N/A LYS 248.A NZ GLU 252.A OE2 no hydrogen 3.520 N/A GLU 249.A N GLU 249.A OE1 no hydrogen 2.600 N/A TYR 250.A N PRO 246.A O no hydrogen 3.329 N/A TYR 250.A OH ASP 212.A O no hydrogen 2.577 N/A THR 251.A N LEU 247.A O no hydrogen 3.044 N/A THR 251.A OG1 LEU 247.A O no hydrogen 2.786 N/A GLU 252.A N LYS 248.A O no hydrogen 2.976 N/A TRP 253.A N GLU 249.A O no hydrogen 3.154 N/A PHE 254.A N TYR 250.A O no hydrogen 2.880 N/A LEU 255.A N THR 251.A O no hydrogen 2.864 N/A THR 256.A N TRP 253.A O no hydrogen 3.220 N/A THR 256.A OG1 TRP 253.A O no hydrogen 3.249 N/A LEU 257.A N PHE 254.A O no hydrogen 3.020 N/A ILE 259.A N LEU 257.A O no hydrogen 2.543 N/A LYS 260.A N ASN 229.A OD1 no hydrogen 2.808 N/A LYS 260.A NZ ASN 229.A O no hydrogen 3.339 N/A MET 264.A N LYS 260.A O no hydrogen 2.617 N/A GLU 265.A N PRO 261.A O no hydrogen 2.912 N/A LYS 266.A N ASP 262.A O no hydrogen 3.335 N/A ILE 267.A N ALA 263.A O no hydrogen 3.061 N/A LEU 268.A N MET 264.A O no hydrogen 2.892 N/A HIS 269.A N GLU 265.A O no hydrogen 2.961 N/A HIS 269.A ND1 LYS 2.A O no hydrogen 2.982 N/A GLY 270.A N GLU 265.A O no hydrogen 3.087 N/A ASN 271.A N LYS 266.A O no hydrogen 2.779 N/A ASN 271.A ND2 ALA 233.A O no hydrogen 2.991 N/A ASN 271.A ND2 MET 236.A O no hydrogen 2.786 N/A GLU 273.A N HIS 269.A O no hydrogen 2.862 N/A ARG 274.A N GLY 270.A O no hydrogen 3.084 N/A ARG 274.A NE TYR 208.A OH no hydrogen 3.013 N/A ARG 274.A NH2 TYR 208.A OH no hydrogen 2.874 N/A ARG 274.A NH2 ASN 271.A OD1 no hydrogen 3.170 N/A LEU 275.A N ASN 271.A O no hydrogen 3.187 N/A LEU 276.A N ALA 272.A O no hydrogen 2.968 N/A ALA 277.A N GLU 273.A O no hydrogen 2.784 N/A GLN 278.A N ARG 274.A O no hydrogen 2.865 N/A GLN 278.A NE2 GLY 149.A O no hydrogen 2.955 N/A ALA 279.A N LEU 275.A O no hydrogen 2.974 N/A GLY 280.A N LEU 276.A O no hydrogen 2.964 N/A ARG 281.A N ALA 277.A O no hydrogen 2.987 N/A ARG 281.A N GLN 278.A O no hydrogen 3.013 N/A ARG 281.A NH1 GLY 149.A O no hydrogen 3.017 N/A