Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3dk7_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 3.A N ASP 1.A OD2 no hydrogen 3.229 N/A MET 5.A N VAL 68.A O no hydrogen 2.979 N/A ARG 7.A NH1 PRO 74.A O no hydrogen 3.356 N/A ASP 9.A N GLU 6.A O no hydrogen 3.257 N/A ILE 10.A N ARG 7.A O no hydrogen 3.132 N/A THR 11.A N VAL 28.A O no hydrogen 2.916 N/A LYS 13.A N GLU 26.A O no hydrogen 2.806 N/A LEU 16.A N VAL 24.A O no hydrogen 3.024 N/A GLY 19.A N LEU 16.A O no hydrogen 3.144 N/A GLN 20.A N GLY 17.A O no hydrogen 3.260 N/A GLN 20.A NE2 GLY 17.A O no hydrogen 3.054 N/A TYR 21.A OH ARG 131.A O no hydrogen 2.690 N/A GLY 22.A N GLY 19.A O no hydrogen 3.307 N/A VAL 24.A N GLY 22.A O no hydrogen 2.810 N/A TYR 25.A N VAL 38.A O no hydrogen 2.728 N/A TYR 25.A OH GLU 23.A OE1 no hydrogen 2.658 N/A GLU 26.A N HIS 14.A O no hydrogen 2.824 N/A GLY 27.A N VAL 36.A O no hydrogen 2.820 N/A VAL 28.A N THR 11.A O no hydrogen 2.855 N/A TRP 29.A N LEU 34.A O no hydrogen 2.727 N/A LYS 30.A N ASP 9.A O no hydrogen 3.192 N/A LYS 30.A NZ THR 8.A O no hydrogen 2.764 N/A LYS 30.A NZ THR 11.A OG1 no hydrogen 3.407 N/A LYS 31.A NZ ASP 9.A OD2 no hydrogen 2.718 N/A TYR 32.A N TRP 29.A O no hydrogen 3.157 N/A SER 33.A N LYS 30.A O no hydrogen 3.272 N/A LEU 34.A N TRP 29.A O no hydrogen 3.193 N/A VAL 36.A N GLY 27.A O no hydrogen 2.732 N/A ALA 37.A N ILE 79.A O no hydrogen 2.819 N/A VAL 38.A N TYR 25.A O no hydrogen 2.761 N/A LYS 39.A N ILE 77.A O no hydrogen 2.912 N/A LYS 39.A NZ GLU 50.A OE2 no hydrogen 2.793 N/A THR 40.A N GLU 23.A O no hydrogen 2.912 N/A GLU 45.A N GLU 43.A OE2 no hydrogen 3.224 N/A GLU 46.A N GLU 43.A OE1 no hydrogen 3.018 N/A PHE 47.A N GLU 43.A O no hydrogen 3.230 N/A LEU 48.A N VAL 44.A O no hydrogen 2.979 N/A LYS 49.A N GLU 45.A O no hydrogen 3.037 N/A GLU 50.A N GLU 46.A O no hydrogen 3.149 N/A ALA 51.A N PHE 47.A O no hydrogen 3.306 N/A ALA 52.A N LEU 48.A O no hydrogen 3.199 N/A VAL 53.A N LYS 49.A O no hydrogen 2.932 N/A MET 54.A N GLU 50.A O no hydrogen 3.045 N/A LYS 55.A NZ ASP 1.A OD1 no hydrogen 2.799 N/A GLU 56.A N VAL 53.A O no hydrogen 3.016 N/A ILE 57.A N MET 54.A O no hydrogen 3.460 N/A LYS 58.A N TYR 117.A OH no hydrogen 2.954 N/A ASN 61.A N HIS 59.A ND1 no hydrogen 3.027 N/A ASN 61.A ND2 VAL 141.A O no hydrogen 3.049 N/A LEU 62.A N HIS 59.A O no hydrogen 3.086 N/A VAL 63.A N VAL 143.A O no hydrogen 3.329 N/A GLN 64.A N GLU 80.A OE1 no hydrogen 2.790 N/A GLN 64.A NE2 LEU 65.A O no hydrogen 3.066 N/A LEU 66.A N ILE 78.A O no hydrogen 2.772 N/A GLY 67.A N ILE 78.A O no hydrogen 3.177 N/A VAL 68.A N TRP 3.A O no hydrogen 2.960 N/A CYS 69.A N TYR 76.A O no hydrogen 2.938 N/A CYS 69.A SG MET 5.A O no hydrogen 3.310 N/A THR 70.A N GLU 4.A OE2 no hydrogen 2.764 N/A THR 70.A OG1 GLU 4.A OE1 no hydrogen 2.707 N/A TYR 76.A N CYS 69.A O no hydrogen 3.090 N/A ILE 77.A N LYS 39.A O no hydrogen 2.866 N/A ILE 78.A N GLY 67.A O no hydrogen 2.835 N/A ILE 79.A N ALA 37.A O no hydrogen 2.900 N/A GLU 80.A N GLN 64.A O no hydrogen 3.188 N/A THR 83.A OG1 GLU 137.A OE2 no hydrogen 2.893 N/A TYR 84.A N VAL 135.A O no hydrogen 2.966 N/A GLY 85.A N MET 82.A O no hydrogen 3.247 N/A ASN 86.A ND2 TYR 21.A OH no hydrogen 3.021 N/A LEU 87.A N CYS 133.A O no hydrogen 2.805 N/A LEU 88.A N ALA 130.A O no hydrogen 3.347 N/A ASP 89.A N ASN 86.A OD1 no hydrogen 2.865 N/A TYR 90.A N ASN 86.A O no hydrogen 3.057 N/A TYR 90.A OH HIS 139.A ND1 no hydrogen 2.968 N/A LEU 91.A N LEU 87.A O no hydrogen 2.855 N/A ARG 92.A N LEU 88.A O no hydrogen 3.059 N/A ARG 92.A NE GLY 199.A O no hydrogen 2.594 N/A ARG 92.A NH2 GLY 199.A O no hydrogen 3.054 N/A GLU 93.A N ASP 89.A O no hydrogen 2.957 N/A CYS 94.A SG LEU 91.A O no hydrogen 3.291 N/A GLN 97.A N ASN 95.A OD1 no hydrogen 2.942 N/A GLU 98.A N ASN 95.A O no hydrogen 2.993 N/A VAL 99.A N ASN 95.A O no hydrogen 2.855 N/A SER 100.A N GLU 98.A O no hydrogen 2.955 N/A LEU 104.A N SER 100.A O no hydrogen 2.981 N/A LEU 105.A N ALA 101.A O no hydrogen 3.069 N/A TYR 106.A N VAL 102.A O no hydrogen 2.944 N/A MET 107.A N VAL 103.A O no hydrogen 2.940 N/A ALA 108.A N LEU 104.A O no hydrogen 3.098 N/A THR 109.A N LEU 105.A O no hydrogen 2.871 N/A THR 109.A OG1 LEU 105.A O no hydrogen 2.673 N/A THR 109.A OG1 PHE 256.A O no hydrogen 3.333 N/A GLN 110.A N TYR 106.A O no hydrogen 3.041 N/A GLN 110.A NE2 TYR 106.A O no hydrogen 3.318 N/A GLN 110.A NE2 HIS 139.A O no hydrogen 2.941 N/A ILE 111.A N MET 107.A O no hydrogen 3.088 N/A SER 112.A N ALA 108.A O no hydrogen 3.083 N/A SER 112.A OG ALA 108.A O no hydrogen 3.194 N/A SER 112.A OG THR 109.A O no hydrogen 2.970 N/A SER 112.A OG HIS 253.A ND1 no hydrogen 3.299 N/A SER 113.A N THR 109.A O no hydrogen 3.054 N/A SER 113.A OG HIS 59.A NE2 no hydrogen 3.257 N/A ALA 114.A N GLN 110.A O no hydrogen 3.204 N/A MET 115.A N ILE 111.A O no hydrogen 3.043 N/A GLU 116.A N SER 112.A O no hydrogen 2.814 N/A TYR 117.A N SER 113.A O no hydrogen 3.069 N/A LEU 118.A N ALA 114.A O no hydrogen 3.096 N/A GLU 119.A N MET 115.A O no hydrogen 2.938 N/A LYS 120.A N GLU 116.A O no hydrogen 2.933 N/A LYS 121.A N TYR 117.A O no hydrogen 2.868 N/A PHE 123.A N LEU 118.A O no hydrogen 2.782 N/A ILE 124.A N SER 149.A O no hydrogen 2.985 N/A HIS 125.A N ASP 184.A OD2 no hydrogen 2.739 N/A HIS 125.A NE2 ALA 144.A O no hydrogen 2.669 N/A ARG 126.A N ASP 184.A OD1 no hydrogen 2.893 N/A ARG 126.A NH2 SER 149.A OG no hydrogen 2.973 N/A ASP 127.A N HIS 125.A ND1 no hydrogen 3.052 N/A ALA 130.A N GLU 194.A OE2 no hydrogen 2.899 N/A ARG 131.A NH2 ASP 127.A OD1 no hydrogen 3.408 N/A ASN 132.A N ALA 129.A O no hydrogen 2.930 N/A ASN 132.A ND2 ASP 127.A O no hydrogen 2.685 N/A CYS 133.A N ALA 130.A O no hydrogen 3.164 N/A CYS 133.A SG ALA 129.A O no hydrogen 3.581 N/A LEU 134.A N LYS 142.A O no hydrogen 2.756 N/A VAL 135.A N GLY 85.A O no hydrogen 2.838 N/A GLY 136.A N LEU 140.A O no hydrogen 2.810 N/A GLU 137.A N GLU 137.A OE1 no hydrogen 2.930 N/A LEU 140.A N GLU 137.A O no hydrogen 3.320 N/A VAL 141.A N GLN 110.A OE1 no hydrogen 2.893 N/A LYS 142.A N LEU 134.A O no hydrogen 2.819 N/A LYS 142.A NZ GLU 80.A OE1 no hydrogen 2.667 N/A LYS 142.A NZ GLU 80.A OE2 no hydrogen 3.135 N/A VAL 143.A N ASN 61.A O no hydrogen 2.852 N/A ALA 144.A N ASN 132.A O no hydrogen 2.847 N/A SER 149.A N ILE 124.A O no hydrogen 3.115 N/A SER 149.A OG GLY 147.A O no hydrogen 3.436 N/A ARG 150.A NH1 GLU 56.A OE2 no hydrogen 2.823 N/A ARG 150.A NH2 GLU 56.A OE2 no hydrogen 2.837 N/A LEU 151.A N ASN 122.A O no hydrogen 3.099 N/A THR 153.A N ASN 122.A OD1 no hydrogen 2.863 N/A THR 153.A OG1 GLU 119.A O no hydrogen 2.499 N/A THR 153.A OG1 ASN 122.A OD1 no hydrogen 3.067 N/A ASP 155.A N MET 152.A O no hydrogen 2.829 N/A ALA 158.A N ASN 177.A O no hydrogen 2.889 N/A ALA 162.A N HIS 159.A O no hydrogen 3.092 N/A LYS 167.A NZ PRO 202.A O no hydrogen 3.119 N/A LYS 167.A NZ TYR 203.A O no hydrogen 2.910 N/A LYS 167.A NZ ILE 206.A O no hydrogen 2.715 N/A TRP 168.A N PRO 165.A O no hydrogen 3.018 N/A TRP 168.A NE1 GLU 194.A OE2 no hydrogen 2.922 N/A THR 169.A N ILE 166.A O no hydrogen 3.082 N/A THR 169.A OG1 PRO 165.A O no hydrogen 2.683 N/A GLU 172.A N GLU 172.A OE1 no hydrogen 2.737 N/A SER 173.A OG LYS 178.A O no hydrogen 2.696 N/A LEU 174.A N ALA 170.A O no hydrogen 2.956 N/A ALA 175.A N PRO 171.A O no hydrogen 2.974 N/A TYR 176.A N GLU 172.A O no hydrogen 2.992 N/A ASN 177.A N SER 173.A O no hydrogen 2.973 N/A LYS 178.A N GLU 172.A O no hydrogen 3.362 N/A LYS 178.A NZ THR 157.A OG1 no hydrogen 2.743 N/A SER 180.A N SER 183.A OG no hydrogen 2.864 N/A LYS 182.A N SER 180.A OG no hydrogen 3.131 N/A LYS 182.A NZ ARG 246.A O no hydrogen 2.941 N/A SER 183.A N SER 180.A O no hydrogen 3.109 N/A SER 183.A OG SER 180.A O no hydrogen 2.595 N/A ASP 184.A N SER 180.A O no hydrogen 3.378 N/A VAL 185.A N ILE 181.A O no hydrogen 3.092 N/A TRP 186.A N LYS 182.A O no hydrogen 3.094 N/A ALA 187.A N SER 183.A O no hydrogen 3.065 N/A PHE 188.A N ASP 184.A O no hydrogen 2.822 N/A GLY 189.A N VAL 185.A O no hydrogen 3.085 N/A VAL 190.A N TRP 186.A O no hydrogen 3.249 N/A LEU 191.A N ALA 187.A O no hydrogen 2.884 N/A LEU 192.A N PHE 188.A O no hydrogen 2.818 N/A TRP 193.A N GLY 189.A O no hydrogen 3.149 N/A TRP 193.A NE1 GLU 222.A O no hydrogen 3.252 N/A GLU 194.A N VAL 190.A O no hydrogen 2.940 N/A ILE 195.A N LEU 191.A O no hydrogen 2.937 N/A ALA 196.A N LEU 192.A O no hydrogen 2.939 N/A THR 197.A N TRP 193.A O no hydrogen 3.147 N/A THR 197.A OG1 TRP 193.A O no hydrogen 2.943 N/A THR 197.A OG1 GLU 194.A O no hydrogen 3.192 N/A TYR 198.A N ILE 195.A O no hydrogen 3.046 N/A TYR 198.A OH VAL 99.A O no hydrogen 2.658 N/A GLY 199.A N GLU 194.A O no hydrogen 2.716 N/A MET 200.A N THR 197.A OG1 no hydrogen 3.139 N/A ILE 206.A N TYR 203.A O no hydrogen 3.076 N/A SER 209.A N ASP 207.A OD1 no hydrogen 3.419 N/A SER 209.A OG ASP 207.A OD1 no hydrogen 2.691 N/A GLN 210.A N ASP 207.A O no hydrogen 2.897 N/A VAL 211.A N PRO 208.A O no hydrogen 3.230 N/A LEU 215.A N VAL 211.A O no hydrogen 3.034 N/A GLU 216.A N TYR 212.A O no hydrogen 2.998 N/A LYS 217.A N GLU 213.A O no hydrogen 3.291 N/A LYS 217.A N LEU 214.A O no hydrogen 3.138 N/A ASP 218.A N LEU 215.A O no hydrogen 3.154 N/A TYR 219.A N LEU 214.A O no hydrogen 2.883 N/A ARG 220.A NE TRP 239.A O no hydrogen 2.783 N/A ARG 220.A NH1 LEU 215.A O no hydrogen 3.017 N/A ARG 220.A NH1 TYR 219.A O no hydrogen 2.848 N/A ARG 220.A NH2 TRP 239.A O no hydrogen 2.945 N/A GLU 222.A N GLU 222.A OE1 no hydrogen 2.773 N/A ARG 223.A NE CYS 227.A O no hydrogen 2.768 N/A ARG 223.A NH2 CYS 227.A O no hydrogen 3.401 N/A CYS 227.A N PRO 224.A O no hydrogen 3.198 N/A CYS 227.A SG PRO 228.A O no hydrogen 3.537 N/A VAL 231.A N PRO 228.A O no hydrogen 3.059 N/A TYR 232.A N PRO 228.A O no hydrogen 3.090 N/A TYR 232.A OH MET 221.A O no hydrogen 2.616 N/A GLU 233.A N GLU 229.A O no hydrogen 2.823 N/A LEU 234.A N LYS 230.A O no hydrogen 3.346 N/A MET 235.A N VAL 231.A O no hydrogen 3.093 N/A ARG 236.A N TYR 232.A O no hydrogen 2.986 N/A ARG 236.A NH1 TYR 232.A OH no hydrogen 2.949 N/A ALA 237.A N GLU 233.A O no hydrogen 3.002 N/A CYS 238.A N LEU 234.A O no hydrogen 2.949 N/A CYS 238.A SG LEU 234.A O no hydrogen 3.301 N/A TRP 239.A N MET 235.A O no hydrogen 3.112 N/A TRP 239.A N ARG 236.A O no hydrogen 3.165 N/A GLN 240.A N ALA 237.A O no hydrogen 3.367 N/A ASN 242.A ND2 ASP 245.A OD2 no hydrogen 3.504 N/A ASP 245.A N ASN 242.A O no hydrogen 2.946 N/A ARG 246.A N PRO 243.A O no hydrogen 3.194 N/A ARG 246.A NE GLN 240.A O no hydrogen 2.713 N/A ARG 246.A NH1 GLU 172.A OE2 no hydrogen 2.905 N/A ARG 246.A NH1 LYS 182.A O no hydrogen 2.994 N/A ARG 246.A NH2 GLU 172.A OE1 no hydrogen 2.895 N/A ARG 246.A NH2 GLN 240.A O no hydrogen 3.178 N/A ARG 246.A NH2 TRP 241.A O no hydrogen 3.043 N/A SER 248.A N GLU 251.A OE1 no hydrogen 3.166 N/A PHE 249.A N GLU 119.A OE2 no hydrogen 2.819 N/A ALA 250.A N GLU 119.A OE1 no hydrogen 3.113 N/A GLU 251.A N SER 248.A OG no hydrogen 3.132 N/A ILE 252.A N SER 248.A O no hydrogen 3.045 N/A HIS 253.A N PHE 249.A O no hydrogen 2.874 N/A HIS 253.A ND1 SER 112.A OG no hydrogen 3.299 N/A GLN 254.A N ALA 250.A O no hydrogen 3.161 N/A GLN 254.A NE2 GLN 254.A O no hydrogen 3.444 N/A ALA 255.A N GLU 251.A O no hydrogen 3.071 N/A PHE 256.A N ILE 252.A O no hydrogen 3.029 N/A GLU 257.A N HIS 253.A O no hydrogen 2.801 N/A THR 258.A N GLN 254.A O no hydrogen 3.090 N/A THR 258.A OG1 GLN 254.A O no hydrogen 2.777 N/A MET 259.A N ALA 255.A O no hydrogen 3.094 N/A PHE 260.A N PHE 256.A O no hydrogen 2.806 N/A GLN 261.A N GLU 257.A O no hydrogen 2.974 N/A GLU 262.A N THR 258.A O no hydrogen 3.013 N/A SER 263.A N MET 259.A O no hydrogen 3.019 N/A SER 264.A N PHE 260.A O no hydrogen 3.063 N/A SER 264.A OG PHE 260.A O no hydrogen 3.090 N/A ILE 265.A N GLN 261.A O no hydrogen 3.156 N/A