Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dk6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 3.A N ASP 1.A OD2 no hydrogen 3.214 N/A GLU 4.A N ASP 1.A O no hydrogen 3.381 N/A GLU 4.A N ASP 1.A OD2 no hydrogen 3.130 N/A MET 5.A N VAL 65.A O no hydrogen 2.769 N/A GLU 6.A N ASP 9.A OD2 no hydrogen 3.206 N/A ARG 7.A NE PRO 71.A O no hydrogen 2.938 N/A ARG 7.A NH2 PRO 71.A O no hydrogen 3.439 N/A ASP 9.A N GLU 6.A O no hydrogen 3.163 N/A ILE 10.A N ARG 7.A O no hydrogen 3.378 N/A THR 11.A N VAL 26.A O no hydrogen 3.103 N/A LYS 13.A N GLU 24.A O no hydrogen 2.714 N/A HIS 14.A N GLU 24.A O no hydrogen 3.251 N/A LEU 16.A N VAL 22.A O no hydrogen 2.913 N/A VAL 22.A N GLY 20.A O no hydrogen 3.038 N/A TYR 23.A N VAL 36.A O no hydrogen 2.803 N/A TYR 23.A OH GLU 21.A OE1 no hydrogen 2.691 N/A GLU 24.A N HIS 14.A O no hydrogen 2.634 N/A GLY 25.A N VAL 34.A O no hydrogen 2.758 N/A VAL 26.A N THR 11.A O no hydrogen 2.743 N/A TRP 27.A N LEU 32.A O no hydrogen 2.754 N/A LYS 28.A N ASP 9.A O no hydrogen 3.255 N/A LYS 28.A NZ THR 8.A O no hydrogen 2.709 N/A LYS 28.A NZ THR 11.A OG1 no hydrogen 3.308 N/A TYR 30.A N TRP 27.A O no hydrogen 3.036 N/A SER 31.A N LYS 28.A O no hydrogen 3.240 N/A LEU 32.A N TRP 27.A O no hydrogen 3.263 N/A VAL 34.A N GLY 25.A O no hydrogen 2.753 N/A ALA 35.A N THR 76.A O no hydrogen 2.918 N/A VAL 36.A N TYR 23.A O no hydrogen 2.766 N/A LYS 37.A N ILE 74.A O no hydrogen 2.799 N/A LYS 37.A NZ GLU 47.A OE1 no hydrogen 3.472 N/A LYS 37.A NZ GLU 47.A OE2 no hydrogen 2.893 N/A THR 38.A N GLU 21.A O no hydrogen 2.847 N/A GLU 40.A N GLU 43.A OE1 no hydrogen 2.921 N/A GLU 42.A N GLU 40.A OE1 no hydrogen 3.176 N/A PHE 44.A N GLU 40.A O no hydrogen 3.113 N/A LEU 45.A N VAL 41.A O no hydrogen 2.975 N/A LYS 46.A N GLU 42.A O no hydrogen 3.133 N/A GLU 47.A N GLU 43.A O no hydrogen 3.069 N/A ALA 48.A N PHE 44.A O no hydrogen 3.247 N/A ALA 49.A N LEU 45.A O no hydrogen 3.119 N/A VAL 50.A N LYS 46.A O no hydrogen 2.945 N/A MET 51.A N GLU 47.A O no hydrogen 3.098 N/A LYS 52.A N ALA 48.A O no hydrogen 3.385 N/A LYS 52.A NZ ASP 1.A OD1 no hydrogen 2.802 N/A GLU 53.A N VAL 50.A O no hydrogen 3.001 N/A ILE 54.A N MET 51.A O no hydrogen 3.218 N/A LYS 55.A N TYR 114.A OH no hydrogen 3.177 N/A ASN 58.A N HIS 56.A ND1 no hydrogen 3.020 N/A ASN 58.A ND2 VAL 138.A O no hydrogen 3.006 N/A LEU 59.A N HIS 56.A O no hydrogen 3.182 N/A VAL 60.A N VAL 140.A O no hydrogen 3.369 N/A GLN 61.A N GLU 77.A OE1 no hydrogen 2.722 N/A GLN 61.A NE2 LEU 62.A O no hydrogen 2.991 N/A LEU 63.A N ILE 75.A O no hydrogen 2.723 N/A GLY 64.A N ILE 75.A O no hydrogen 3.160 N/A VAL 65.A N TRP 3.A O no hydrogen 2.942 N/A CYS 66.A N TYR 73.A O no hydrogen 2.955 N/A CYS 66.A SG MET 5.A O no hydrogen 3.436 N/A THR 67.A N GLU 4.A OE2 no hydrogen 2.844 N/A THR 67.A OG1 GLU 4.A OE1 no hydrogen 2.677 N/A TYR 73.A N CYS 66.A O no hydrogen 3.076 N/A ILE 74.A N LYS 37.A O no hydrogen 2.848 N/A ILE 75.A N GLY 64.A O no hydrogen 2.802 N/A THR 76.A N ALA 35.A O no hydrogen 2.860 N/A THR 76.A OG1 GLU 77.A O no hydrogen 3.117 N/A GLU 77.A N GLN 61.A O no hydrogen 3.116 N/A THR 80.A OG1 GLU 134.A OE2 no hydrogen 2.866 N/A TYR 81.A N VAL 132.A O no hydrogen 2.899 N/A GLY 82.A N MET 79.A O no hydrogen 3.230 N/A ASN 83.A ND2 ASP 86.A OD2 no hydrogen 2.959 N/A LEU 84.A N CYS 130.A O no hydrogen 2.743 N/A LEU 85.A N ALA 127.A O no hydrogen 3.257 N/A ASP 86.A N ASN 83.A OD1 no hydrogen 2.919 N/A TYR 87.A N ASN 83.A O no hydrogen 3.135 N/A LEU 88.A N LEU 84.A O no hydrogen 2.852 N/A ARG 89.A N LEU 85.A O no hydrogen 3.117 N/A ARG 89.A NE GLY 196.A O no hydrogen 2.628 N/A ARG 89.A NH2 GLY 196.A O no hydrogen 3.062 N/A GLU 90.A N ASP 86.A O no hydrogen 3.042 N/A CYS 91.A SG LEU 88.A O no hydrogen 3.328 N/A GLN 94.A N ASN 92.A OD1 no hydrogen 2.936 N/A GLU 95.A N ASN 92.A O no hydrogen 3.011 N/A VAL 96.A N ASN 92.A O no hydrogen 2.788 N/A LEU 101.A N SER 97.A O no hydrogen 2.927 N/A LEU 102.A N ALA 98.A O no hydrogen 3.070 N/A TYR 103.A N VAL 99.A O no hydrogen 2.957 N/A MET 104.A N VAL 100.A O no hydrogen 2.925 N/A ALA 105.A N LEU 101.A O no hydrogen 3.108 N/A THR 106.A N LEU 102.A O no hydrogen 2.848 N/A THR 106.A OG1 LEU 102.A O no hydrogen 2.644 N/A THR 106.A OG1 PHE 253.A O no hydrogen 3.377 N/A GLN 107.A N TYR 103.A O no hydrogen 3.021 N/A GLN 107.A NE2 TYR 103.A O no hydrogen 3.473 N/A GLN 107.A NE2 HIS 136.A O no hydrogen 2.762 N/A ILE 108.A N MET 104.A O no hydrogen 3.016 N/A SER 109.A N ALA 105.A O no hydrogen 3.016 N/A SER 109.A OG ALA 105.A O no hydrogen 3.071 N/A SER 109.A OG THR 106.A O no hydrogen 2.988 N/A SER 109.A OG HIS 250.A ND1 no hydrogen 3.264 N/A SER 110.A N THR 106.A O no hydrogen 3.060 N/A SER 110.A OG HIS 56.A NE2 no hydrogen 3.136 N/A ALA 111.A N GLN 107.A O no hydrogen 3.212 N/A MET 112.A N ILE 108.A O no hydrogen 3.016 N/A GLU 113.A N SER 109.A O no hydrogen 2.827 N/A TYR 114.A N SER 110.A O no hydrogen 3.070 N/A LEU 115.A N ALA 111.A O no hydrogen 3.064 N/A GLU 116.A N MET 112.A O no hydrogen 2.918 N/A LYS 117.A N GLU 113.A O no hydrogen 2.885 N/A LYS 118.A N TYR 114.A O no hydrogen 2.840 N/A PHE 120.A N LEU 115.A O no hydrogen 2.846 N/A ILE 121.A N SER 146.A O no hydrogen 3.018 N/A HIS 122.A N ASP 181.A OD2 no hydrogen 2.804 N/A HIS 122.A NE2 ALA 141.A O no hydrogen 2.732 N/A ARG 123.A N ASP 181.A OD1 no hydrogen 2.888 N/A ARG 123.A NH2 SER 146.A OG no hydrogen 2.865 N/A ASP 124.A N HIS 122.A ND1 no hydrogen 3.127 N/A ALA 127.A N GLU 191.A OE2 no hydrogen 2.903 N/A ARG 128.A NH2 ASP 124.A OD1 no hydrogen 3.247 N/A ASN 129.A N ALA 126.A O no hydrogen 3.054 N/A ASN 129.A ND2 ASP 124.A O no hydrogen 2.713 N/A CYS 130.A N ALA 127.A O no hydrogen 3.231 N/A CYS 130.A SG ALA 126.A O no hydrogen 3.611 N/A LEU 131.A N LYS 139.A O no hydrogen 2.751 N/A VAL 132.A N GLY 82.A O no hydrogen 2.796 N/A GLY 133.A N LEU 137.A O no hydrogen 2.818 N/A GLU 134.A N GLU 134.A OE1 no hydrogen 2.965 N/A HIS 136.A NE2 GLU 95.A OE2 no hydrogen 2.818 N/A LEU 137.A N GLU 134.A O no hydrogen 3.356 N/A VAL 138.A N GLN 107.A OE1 no hydrogen 2.896 N/A LYS 139.A N LEU 131.A O no hydrogen 2.872 N/A LYS 139.A NZ GLU 77.A OE1 no hydrogen 2.715 N/A LYS 139.A NZ GLU 77.A OE2 no hydrogen 2.924 N/A VAL 140.A N ASN 58.A O no hydrogen 2.853 N/A ALA 141.A N ASN 129.A O no hydrogen 2.985 N/A SER 146.A N ILE 121.A O no hydrogen 3.099 N/A ARG 147.A NH1 GLU 53.A OE1 no hydrogen 2.750 N/A ARG 147.A NH1 GLU 53.A OE2 no hydrogen 3.190 N/A ARG 147.A NH2 GLU 53.A OE2 no hydrogen 2.810 N/A LEU 148.A N ASN 119.A O no hydrogen 3.038 N/A THR 150.A N ASN 119.A OD1 no hydrogen 2.950 N/A THR 150.A OG1 GLU 116.A O no hydrogen 2.538 N/A THR 150.A OG1 ASN 119.A OD1 no hydrogen 3.321 N/A ASP 152.A N MET 149.A O no hydrogen 2.835 N/A ALA 155.A N ASN 174.A O no hydrogen 2.902 N/A ALA 159.A N HIS 156.A O no hydrogen 3.242 N/A LYS 164.A NZ PRO 199.A O no hydrogen 3.213 N/A LYS 164.A NZ TYR 200.A O no hydrogen 2.903 N/A LYS 164.A NZ ILE 203.A O no hydrogen 2.727 N/A TRP 165.A N PRO 162.A O no hydrogen 2.984 N/A TRP 165.A NE1 GLU 191.A OE2 no hydrogen 2.962 N/A THR 166.A N ILE 163.A O no hydrogen 3.047 N/A THR 166.A OG1 PRO 162.A O no hydrogen 2.590 N/A GLU 169.A N GLU 169.A OE1 no hydrogen 2.821 N/A SER 170.A N ALA 167.A O no hydrogen 3.006 N/A SER 170.A OG LYS 175.A O no hydrogen 2.659 N/A LEU 171.A N ALA 167.A O no hydrogen 3.014 N/A ALA 172.A N PRO 168.A O no hydrogen 3.004 N/A TYR 173.A N GLU 169.A O no hydrogen 3.019 N/A ASN 174.A N SER 170.A O no hydrogen 3.024 N/A ASN 174.A ND2 ALA 155.A O no hydrogen 3.662 N/A LYS 175.A N GLU 169.A O no hydrogen 3.355 N/A SER 177.A N SER 180.A OG no hydrogen 2.820 N/A LYS 179.A N SER 177.A OG no hydrogen 3.153 N/A LYS 179.A NZ ARG 243.A O no hydrogen 2.911 N/A SER 180.A N SER 177.A O no hydrogen 3.020 N/A SER 180.A OG SER 177.A O no hydrogen 2.600 N/A ASP 181.A N SER 177.A O no hydrogen 3.295 N/A VAL 182.A N ILE 178.A O no hydrogen 2.998 N/A TRP 183.A N LYS 179.A O no hydrogen 3.121 N/A ALA 184.A N SER 180.A O no hydrogen 3.130 N/A PHE 185.A N ASP 181.A O no hydrogen 2.882 N/A GLY 186.A N VAL 182.A O no hydrogen 3.151 N/A VAL 187.A N TRP 183.A O no hydrogen 3.280 N/A LEU 188.A N ALA 184.A O no hydrogen 2.873 N/A LEU 189.A N PHE 185.A O no hydrogen 2.792 N/A TRP 190.A N GLY 186.A O no hydrogen 3.206 N/A GLU 191.A N VAL 187.A O no hydrogen 2.950 N/A ILE 192.A N LEU 188.A O no hydrogen 2.974 N/A ALA 193.A N LEU 189.A O no hydrogen 2.918 N/A THR 194.A N TRP 190.A O no hydrogen 3.114 N/A THR 194.A OG1 TRP 190.A O no hydrogen 2.840 N/A THR 194.A OG1 GLU 191.A O no hydrogen 3.240 N/A TYR 195.A N ILE 192.A O no hydrogen 3.078 N/A TYR 195.A OH VAL 96.A O no hydrogen 2.677 N/A GLY 196.A N GLU 191.A O no hydrogen 2.714 N/A MET 197.A N THR 194.A OG1 no hydrogen 3.265 N/A ILE 203.A N TYR 200.A O no hydrogen 3.144 N/A SER 206.A OG ASP 204.A OD1 no hydrogen 2.713 N/A GLN 207.A N ASP 204.A O no hydrogen 2.987 N/A VAL 208.A N PRO 205.A O no hydrogen 3.148 N/A LEU 212.A N VAL 208.A O no hydrogen 2.970 N/A GLU 213.A N TYR 209.A O no hydrogen 3.007 N/A LYS 214.A N GLU 210.A O no hydrogen 3.260 N/A ASP 215.A N LEU 212.A O no hydrogen 3.191 N/A TYR 216.A N LEU 211.A O no hydrogen 2.934 N/A ARG 217.A NE TRP 236.A O no hydrogen 2.821 N/A ARG 217.A NH1 LEU 212.A O no hydrogen 2.940 N/A ARG 217.A NH1 TYR 216.A O no hydrogen 2.918 N/A ARG 217.A NH2 TRP 236.A O no hydrogen 2.880 N/A GLU 219.A N GLU 219.A OE1 no hydrogen 2.702 N/A ARG 220.A NH1 CYS 224.A O no hydrogen 2.917 N/A CYS 224.A N PRO 221.A O no hydrogen 3.177 N/A CYS 224.A SG PRO 225.A O no hydrogen 3.516 N/A VAL 228.A N PRO 225.A O no hydrogen 3.091 N/A TYR 229.A N PRO 225.A O no hydrogen 3.095 N/A TYR 229.A OH MET 218.A O no hydrogen 2.625 N/A GLU 230.A N GLU 226.A O no hydrogen 2.849 N/A LEU 231.A N LYS 227.A O no hydrogen 3.314 N/A MET 232.A N VAL 228.A O no hydrogen 3.026 N/A ARG 233.A N TYR 229.A O no hydrogen 2.929 N/A ARG 233.A NH1 TYR 229.A OH no hydrogen 3.000 N/A ALA 234.A N GLU 230.A O no hydrogen 2.977 N/A CYS 235.A N LEU 231.A O no hydrogen 2.987 N/A CYS 235.A SG LEU 231.A O no hydrogen 3.242 N/A TRP 236.A N MET 232.A O no hydrogen 3.114 N/A TRP 236.A N ARG 233.A O no hydrogen 3.164 N/A GLN 237.A N ALA 234.A O no hydrogen 3.465 N/A ASN 239.A ND2 ASP 242.A OD2 no hydrogen 3.483 N/A ASP 242.A N ASN 239.A O no hydrogen 2.896 N/A ARG 243.A N PRO 240.A O no hydrogen 3.205 N/A ARG 243.A NE GLN 237.A O no hydrogen 2.746 N/A ARG 243.A NH1 GLU 169.A OE1 no hydrogen 3.515 N/A ARG 243.A NH1 GLU 169.A OE2 no hydrogen 2.709 N/A ARG 243.A NH1 LYS 179.A O no hydrogen 2.903 N/A ARG 243.A NH2 GLU 169.A OE1 no hydrogen 2.768 N/A ARG 243.A NH2 GLU 169.A OE2 no hydrogen 3.565 N/A ARG 243.A NH2 GLN 237.A O no hydrogen 3.210 N/A SER 245.A N GLU 248.A OE1 no hydrogen 3.415 N/A PHE 246.A N GLU 116.A OE2 no hydrogen 2.873 N/A ALA 247.A N GLU 116.A OE1 no hydrogen 3.316 N/A GLU 248.A N SER 245.A OG no hydrogen 3.299 N/A ILE 249.A N SER 245.A O no hydrogen 3.005 N/A HIS 250.A N PHE 246.A O no hydrogen 2.775 N/A HIS 250.A ND1 SER 109.A OG no hydrogen 3.264 N/A GLN 251.A N ALA 247.A O no hydrogen 3.153 N/A GLN 251.A NE2 THR 255.A OG1 no hydrogen 3.287 N/A ALA 252.A N GLU 248.A O no hydrogen 3.132 N/A PHE 253.A N ILE 249.A O no hydrogen 3.049 N/A GLU 254.A N HIS 250.A O no hydrogen 2.878 N/A THR 255.A N GLN 251.A O no hydrogen 3.104 N/A THR 255.A OG1 GLN 251.A O no hydrogen 2.847 N/A MET 256.A N ALA 252.A O no hydrogen 3.078 N/A PHE 257.A N PHE 253.A O no hydrogen 2.768 N/A GLN 258.A N GLU 254.A O no hydrogen 2.979 N/A GLU 259.A N THR 255.A O no hydrogen 2.999 N/A SER 260.A N MET 256.A O no hydrogen 2.949 N/A SER 261.A N PHE 257.A O no hydrogen 3.072 N/A SER 261.A OG PHE 257.A O no hydrogen 2.937 N/A ILE 262.A N GLN 258.A O no hydrogen 3.220 N/A