Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1n4k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 1.A N ASP 3.A OD2 no hydrogen 3.481 N/A GLY 2.A N VAL 49.A O no hydrogen 2.811 N/A VAL 5.A N TRP 47.A O no hydrogen 2.786 N/A ARG 6.A N VAL 140.A O no hydrogen 2.911 N/A ARG 6.A NH1 GLU 146.A OE1 no hydrogen 3.445 N/A ARG 6.A NH1 GLU 146.A OE2 no hydrogen 3.207 N/A ARG 6.A NH2 SER 42.A O no hydrogen 3.005 N/A ARG 6.A NH2 GLU 146.A OE1 no hydrogen 2.626 N/A PHE 8.A N ALA 138.A O no hydrogen 3.127 N/A HIS 9.A N LYS 14.A O no hydrogen 2.720 N/A ALA 10.A N ALA 136.A O no hydrogen 3.204 N/A GLN 12.A N HIS 9.A ND1 no hydrogen 2.861 N/A GLU 13.A N HIS 9.A O no hydrogen 2.630 N/A LYS 14.A NZ THR 31.A OG1 no hydrogen 2.887 N/A LEU 16.A N LEU 7.A O no hydrogen 2.683 N/A THR 17.A N PHE 28.A O no hydrogen 2.784 N/A CYS 18.A N LYS 44.A O no hydrogen 3.030 N/A CYS 18.A SG GLN 25.A OE1 no hydrogen 3.613 N/A CYS 18.A SG HIS 26.A O no hydrogen 3.544 N/A CYS 18.A SG SER 78.A OG no hydrogen 3.741 N/A ASP 19.A N HIS 26.A O no hydrogen 3.119 N/A GLU 20.A N ASP 19.A OD1 no hydrogen 2.559 N/A HIS 21.A N LYS 24.A O no hydrogen 2.685 N/A HIS 26.A N ASP 19.A O no hydrogen 2.869 N/A PHE 28.A N THR 17.A O no hydrogen 2.867 N/A LEU 29.A N LEU 123.A O no hydrogen 2.934 N/A ARG 30.A N PHE 15.A O no hydrogen 3.299 N/A THR 31.A N VAL 121.A O no hydrogen 2.930 N/A ARG 34.A N THR 32.A OG1 no hydrogen 3.143 N/A SER 36.A OG SER 39.A OG no hydrogen 3.190 N/A SER 39.A N SER 36.A O no hydrogen 2.752 N/A SER 39.A OG SER 36.A OG no hydrogen 3.190 N/A ALA 40.A N ALA 37.A O no hydrogen 3.399 N/A SER 42.A OG GLU 219.A OE1 no hydrogen 2.572 N/A SER 43.A OG GLN 220.A OE1 no hydrogen 3.016 N/A LYS 44.A N SER 42.A OG no hydrogen 3.097 N/A LYS 44.A NZ ASP 19.A OD1 no hydrogen 3.349 N/A LYS 44.A NZ ASP 19.A OD2 no hydrogen 2.799 N/A ALA 45.A N SER 42.A O no hydrogen 2.887 N/A LEU 46.A N SER 43.A O no hydrogen 3.477 N/A TRP 47.A N VAL 5.A O no hydrogen 2.845 N/A TRP 47.A NE1 LEU 16.A O no hydrogen 2.943 N/A GLU 48.A N LYS 58.A O no hydrogen 2.736 N/A VAL 49.A N ASP 3.A O no hydrogen 2.789 N/A GLU 50.A N ARG 56.A O no hydrogen 2.933 N/A VAL 52.A N LEU 54.A O no hydrogen 2.840 N/A PHE 55.A N PHE 89.A O no hydrogen 3.004 N/A ARG 56.A N GLU 50.A O no hydrogen 2.940 N/A ARG 56.A NH1 ASP 84.A O no hydrogen 3.196 N/A ARG 56.A NH1 SER 87.A OG no hydrogen 2.484 N/A LYS 58.A N GLU 48.A O no hydrogen 2.904 N/A HIS 59.A N HIS 64.A O no hydrogen 2.732 N/A LEU 60.A N LEU 46.A O no hydrogen 3.201 N/A THR 62.A N HIS 59.A O no hydrogen 3.224 N/A GLY 63.A N HIS 59.A O no hydrogen 2.640 N/A TYR 65.A N VAL 79.A O no hydrogen 2.832 N/A TYR 65.A OH GLU 50.A OE2 no hydrogen 2.586 N/A LEU 66.A N PHE 57.A O no hydrogen 2.891 N/A ALA 67.A N VAL 77.A O no hydrogen 2.898 N/A GLU 69.A N SER 75.A O no hydrogen 3.150 N/A ASP 71.A N VAL 73.A O no hydrogen 3.137 N/A SER 75.A N GLU 69.A O no hydrogen 3.044 N/A SER 75.A OG ASP 71.A OD2 no hydrogen 3.323 N/A LEU 76.A N ILE 125.A O no hydrogen 2.727 N/A VAL 77.A N ALA 67.A O no hydrogen 2.784 N/A SER 78.A OG HIS 64.A ND1 no hydrogen 3.420 N/A VAL 79.A N TYR 65.A O no hydrogen 2.961 N/A SER 87.A OG ASP 84.A O no hydrogen 3.344 N/A ILE 88.A N ILE 85.A O no hydrogen 3.243 N/A PHE 89.A N PHE 55.A O no hydrogen 2.736 N/A GLU 90.A N ARG 98.A O no hydrogen 2.767 N/A ASP 92.A N ARG 96.A O no hydrogen 2.804 N/A VAL 95.A N PHE 137.A O no hydrogen 2.829 N/A ARG 96.A N ASP 92.A O no hydrogen 2.977 N/A ARG 98.A N GLU 90.A O no hydrogen 2.850 N/A ARG 98.A NE GLU 90.A OE1 no hydrogen 2.767 N/A HIS 99.A N THR 104.A O no hydrogen 2.712 N/A HIS 99.A ND1 THR 102.A OG1 no hydrogen 3.068 N/A HIS 99.A NE2 SER 86.A O no hydrogen 2.606 N/A THR 102.A N HIS 99.A O no hydrogen 3.200 N/A THR 102.A OG1 HIS 99.A ND1 no hydrogen 3.068 N/A THR 102.A OG1 THR 104.A OG1 no hydrogen 2.627 N/A ASN 103.A N HIS 99.A O no hydrogen 2.634 N/A ASN 103.A N LEU 100.A O no hydrogen 2.911 N/A THR 104.A OG1 THR 102.A OG1 no hydrogen 2.627 N/A THR 104.A OG1 THR 127.A OG1 no hydrogen 2.819 N/A TRP 105.A N SER 128.A O no hydrogen 2.822 N/A VAL 106.A N LEU 97.A O no hydrogen 2.857 N/A HIS 107.A N GLY 126.A O no hydrogen 2.540 N/A SER 108.A N GLU 135.A OE1 no hydrogen 2.556 N/A SER 108.A OG GLU 135.A OE1 no hydrogen 2.501 N/A THR 109.A OG1 LYS 124.A O no hydrogen 2.553 N/A ILE 111.A N THR 109.A OG1 no hydrogen 3.364 N/A ILE 113.A N MET 122.A O no hydrogen 2.616 N/A ASP 114.A N ASP 114.A OD2 no hydrogen 2.471 N/A VAL 121.A N ASP 114.A OD1 no hydrogen 2.855 N/A MET 122.A N ASP 114.A OD2 no hydrogen 3.143 N/A LEU 123.A N LEU 29.A O no hydrogen 3.034 N/A LYS 124.A N ILE 111.A O no hydrogen 2.775 N/A GLY 126.A N HIS 107.A O no hydrogen 2.881 N/A THR 127.A N TYR 74.A O no hydrogen 3.236 N/A THR 127.A OG1 THR 104.A OG1 no hydrogen 2.819 N/A SER 128.A N TRP 105.A O no hydrogen 2.812 N/A SER 128.A OG LEU 130.A O no hydrogen 2.864 N/A LYS 131.A NZ ASP 92.A OD1 no hydrogen 2.986 N/A LYS 131.A NZ ASP 92.A OD2 no hydrogen 3.429 N/A PHE 137.A N VAL 95.A O no hydrogen 2.780 N/A ALA 138.A N PHE 8.A O no hydrogen 2.836 N/A VAL 140.A N ARG 6.A O no hydrogen 2.984 N/A VAL 142.A N VAL 4.A O no hydrogen 3.219 N/A VAL 147.A N SER 143.A O no hydrogen 3.266 N/A ARG 148.A N PRO 144.A O no hydrogen 2.828 N/A ASP 149.A N ALA 145.A O no hydrogen 2.826 N/A LEU 150.A N GLU 146.A O no hydrogen 3.053 N/A ASP 151.A N VAL 147.A O no hydrogen 3.046 N/A PHE 152.A N ARG 148.A O no hydrogen 3.098 N/A ALA 153.A N ASP 149.A O no hydrogen 2.943 N/A ASN 154.A N LEU 150.A O no hydrogen 2.804 N/A ASN 154.A ND2 ALA 61.A O no hydrogen 3.386 N/A ASP 155.A N ASP 151.A O no hydrogen 3.151 N/A ALA 156.A N PHE 152.A O no hydrogen 2.837 N/A SER 157.A N ALA 153.A O no hydrogen 2.933 N/A SER 157.A OG GLN 220.A O no hydrogen 2.817 N/A LYS 158.A N ASN 154.A O no hydrogen 3.325 N/A VAL 159.A N ASP 155.A O no hydrogen 3.061 N/A LEU 160.A N ALA 156.A O no hydrogen 2.927 N/A GLY 161.A N SER 157.A O no hydrogen 3.008 N/A SER 162.A N LYS 158.A O no hydrogen 2.875 N/A ILE 163.A N VAL 159.A O no hydrogen 2.870 N/A ALA 164.A N LEU 160.A O no hydrogen 2.824 N/A GLY 165.A N GLY 161.A O no hydrogen 3.032 N/A LYS 166.A N SER 162.A O no hydrogen 3.175 N/A LEU 167.A N ILE 163.A O no hydrogen 2.922 N/A GLU 168.A N ALA 164.A O no hydrogen 2.954 N/A LYS 169.A N GLY 165.A O no hydrogen 3.266 N/A GLY 170.A N LEU 167.A O no hydrogen 3.369 N/A THR 171.A OG1 ILE 172.A O no hydrogen 3.312 N/A THR 173.A N GLU 176.A OE1 no hydrogen 3.041 N/A GLU 176.A N THR 173.A OG1 no hydrogen 3.157 N/A ARG 177.A N THR 173.A O no hydrogen 3.112 N/A ARG 178.A N GLN 174.A O no hydrogen 3.023 N/A SER 179.A N ASN 175.A O no hydrogen 2.780 N/A SER 179.A OG ASN 175.A O no hydrogen 2.679 N/A VAL 180.A N GLU 176.A O no hydrogen 2.888 N/A THR 181.A N ARG 177.A O no hydrogen 2.997 N/A THR 181.A OG1 ARG 177.A O no hydrogen 2.630 N/A LYS 182.A N ARG 178.A O no hydrogen 3.071 N/A LYS 182.A NZ ASP 186.A OD1 no hydrogen 3.267 N/A LYS 182.A NZ ASP 186.A OD2 no hydrogen 3.180 N/A LEU 183.A N SER 179.A O no hydrogen 2.922 N/A LEU 184.A N VAL 180.A O no hydrogen 2.952 N/A GLU 185.A N THR 181.A O no hydrogen 3.105 N/A ASP 186.A N LYS 182.A O no hydrogen 2.882 N/A LEU 187.A N LEU 183.A O no hydrogen 2.800 N/A VAL 188.A N LEU 184.A O no hydrogen 3.045 N/A TYR 189.A N GLU 185.A O no hydrogen 3.068 N/A PHE 190.A N ASP 186.A O no hydrogen 2.857 N/A VAL 191.A N LEU 187.A O no hydrogen 2.911 N/A THR 192.A N VAL 188.A O no hydrogen 3.009 N/A THR 192.A OG1 VAL 188.A O no hydrogen 2.839 N/A THR 192.A OG1 ASN 196.A O no hydrogen 3.321 N/A GLY 193.A N PHE 190.A O no hydrogen 3.146 N/A GLY 194.A N TYR 189.A O no hydrogen 2.647 N/A THR 195.A N THR 192.A O no hydrogen 2.874 N/A THR 195.A OG1 THR 192.A O no hydrogen 2.624 N/A THR 195.A OG1 LYS 208.A O no hydrogen 3.443 N/A ASN 196.A N THR 192.A OG1 no hydrogen 3.074 N/A ASN 196.A ND2 THR 195.A O no hydrogen 2.701 N/A ASN 196.A ND2 GLU 203.A O no hydrogen 3.060 N/A SER 197.A N GLU 203.A OE1 no hydrogen 2.979 N/A SER 197.A N GLU 203.A OE2 no hydrogen 3.175 N/A SER 197.A OG GLU 203.A OE1 no hydrogen 3.512 N/A GLY 198.A N GLU 203.A OE2 no hydrogen 2.576 N/A GLN 199.A N SER 197.A OG no hydrogen 3.245 N/A GLU 203.A N ASP 200.A OD2 no hydrogen 2.929 N/A VAL 204.A N VAL 201.A O no hydrogen 3.084 N/A PHE 206.A N GLU 203.A O no hydrogen 2.864 N/A SER 207.A N VAL 204.A O no hydrogen 3.196 N/A SER 207.A OG VAL 204.A O no hydrogen 3.026 N/A SER 207.A OG GLN 255.A OE1 no hydrogen 2.982 N/A LYS 208.A N THR 195.A OG1 no hydrogen 3.008 N/A ASN 210.A N VAL 191.A O no hydrogen 3.031 N/A ARG 211.A NH2 ASP 256.A O no hydrogen 3.055 N/A ARG 213.A N ASN 210.A OD1 no hydrogen 3.033 N/A ARG 213.A NE ASP 149.A OD2 no hydrogen 3.086 N/A ARG 213.A NH1 PHE 190.A O no hydrogen 2.770 N/A ARG 213.A NH2 ASP 149.A OD1 no hydrogen 3.133 N/A GLN 214.A N ASN 210.A O no hydrogen 2.994 N/A LYS 215.A N ARG 211.A O no hydrogen 2.906 N/A LYS 215.A NZ THR 41.A O no hydrogen 2.821 N/A LEU 216.A N GLU 212.A O no hydrogen 2.991 N/A MET 217.A N ARG 213.A O no hydrogen 2.911 N/A ARG 218.A N GLN 214.A O no hydrogen 3.447 N/A ARG 218.A NH1 TYR 257.A OH no hydrogen 2.941 N/A ARG 218.A NH1 ASN 260.A OD1 no hydrogen 2.871 N/A GLU 219.A N LYS 215.A O no hydrogen 2.950 N/A GLN 220.A N LEU 216.A O no hydrogen 2.845 N/A ASN 221.A N ARG 218.A O no hydrogen 3.163 N/A LEU 223.A N MET 217.A O no hydrogen 3.120 N/A GLN 225.A N ASN 221.A O no hydrogen 2.995 N/A ILE 226.A N ILE 222.A O no hydrogen 2.975 N/A PHE 227.A N LEU 223.A O no hydrogen 3.148 N/A LYS 228.A N LYS 224.A O no hydrogen 3.178 N/A LYS 228.A NZ GLY 161.A O no hydrogen 3.525 N/A LEU 229.A N GLN 225.A O no hydrogen 2.944 N/A LEU 230.A N ILE 226.A O no hydrogen 2.835 N/A GLN 231.A N PHE 227.A O no hydrogen 2.847 N/A ALA 232.A N LYS 228.A O no hydrogen 2.964 N/A PHE 234.A N GLN 231.A O no hydrogen 2.823 N/A THR 235.A N ALA 232.A O no hydrogen 3.284 N/A THR 235.A OG1 GLN 231.A O no hydrogen 3.330 N/A ALA 237.A N HIS 236.A ND1 no hydrogen 2.600 N/A ARG 240.A N HIS 236.A O no hydrogen 3.093 N/A HIS 241.A N ALA 237.A O no hydrogen 2.960 N/A ILE 242.A N PRO 238.A O no hydrogen 2.943 N/A CYS 243.A N PHE 239.A O no hydrogen 2.981 N/A CYS 243.A SG PHE 239.A O no hydrogen 3.735 N/A ARG 244.A N ARG 240.A O no hydrogen 2.860 N/A LEU 245.A N HIS 241.A O no hydrogen 3.008 N/A CYS 246.A N ILE 242.A O no hydrogen 2.912 N/A CYS 246.A SG ILE 242.A O no hydrogen 3.402 N/A TYR 247.A N CYS 243.A O no hydrogen 3.068 N/A ARG 248.A N ARG 244.A O no hydrogen 2.976 N/A ARG 248.A NH1 ASP 200.A O no hydrogen 3.072 N/A ARG 248.A NH2 ASN 196.A OD1 no hydrogen 2.874 N/A ARG 248.A NH2 ASP 200.A O no hydrogen 3.545 N/A ARG 248.A NH2 GLU 203.A OE2 no hydrogen 3.076 N/A VAL 249.A N LEU 245.A O no hydrogen 2.903 N/A LEU 250.A N CYS 246.A O no hydrogen 3.048 N/A ARG 251.A N TYR 247.A O no hydrogen 2.845 N/A HIS 252.A N ARG 248.A O no hydrogen 3.139 N/A SER 253.A N VAL 249.A O no hydrogen 2.940 N/A SER 253.A OG VAL 249.A O no hydrogen 2.756 N/A GLN 254.A N LEU 250.A O no hydrogen 3.158 N/A GLN 254.A N ARG 251.A O no hydrogen 3.357 N/A TYR 257.A N GLN 254.A O no hydrogen 3.029 N/A ASN 260.A ND2 GLN 214.A O no hydrogen 3.035 N/A ASN 260.A ND2 SER 253.A O no hydrogen 2.686 N/A GLN 261.A N TYR 257.A O no hydrogen 3.031 N/A GLN 261.A NE2 GLN 254.A O no hydrogen 3.062 N/A GLU 262.A N ARG 258.A O no hydrogen 3.137 N/A TYR 263.A N LYS 259.A O no hydrogen 3.083 N/A ILE 264.A N ASN 260.A O no hydrogen 2.794 N/A ALA 265.A N GLN 261.A O no hydrogen 2.881 N/A LYS 266.A N GLU 262.A O no hydrogen 3.000 N/A GLN 267.A N TYR 263.A O no hydrogen 2.985 N/A PHE 268.A N ILE 264.A O no hydrogen 2.933 N/A GLY 269.A N ALA 265.A O no hydrogen 3.031 N/A PHE 270.A N LYS 266.A O no hydrogen 2.946 N/A MET 271.A N GLN 267.A O no hydrogen 2.878 N/A GLN 272.A N PHE 268.A O no hydrogen 3.021 N/A LYS 273.A N GLY 269.A O no hydrogen 3.149 N/A GLN 274.A N PHE 270.A O no hydrogen 2.751 N/A ILE 275.A N MET 271.A O no hydrogen 2.803 N/A GLY 276.A N GLN 272.A O no hydrogen 2.978 N/A GLU 282.A N ASP 278.A O no hydrogen 2.978 N/A ASP 283.A N VAL 279.A O no hydrogen 3.030 N/A THR 284.A N LEU 280.A O no hydrogen 2.868 N/A THR 284.A OG1 LEU 280.A O no hydrogen 3.128 N/A ILE 285.A N ALA 281.A O no hydrogen 3.037 N/A THR 286.A N GLU 282.A O no hydrogen 2.999 N/A THR 286.A OG1 GLU 282.A O no hydrogen 2.957 N/A ALA 287.A N ASP 283.A O no hydrogen 2.855 N/A LEU 288.A N THR 284.A O no hydrogen 2.902 N/A LEU 289.A N ILE 285.A O no hydrogen 2.854 N/A HIS 290.A N THR 286.A O no hydrogen 3.194 N/A HIS 290.A N ALA 287.A O no hydrogen 3.109 N/A HIS 290.A ND1 THR 286.A O no hydrogen 2.646 N/A ASN 291.A N LEU 288.A O no hydrogen 2.791 N/A