Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kg3_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 6.A N GLN 2.A O no hydrogen 3.151 N/A SER 7.A N ALA 3.A O no hydrogen 3.048 N/A SER 7.A OG.A ALA 3.A O no hydrogen 3.147 N/A SER 7.A OG.A VAL 171.A O no hydrogen 2.586 N/A SER 7.A OG.B SER 4.A O no hydrogen 3.441 N/A ALA 8.A N SER 4.A O no hydrogen 3.214 N/A GLN 9.A N GLN 5.A O no hydrogen 2.960 N/A GLN 9.A NE2 PRO 203.A O no hydrogen 2.709 N/A GLN 9.A NE2 ASN 206.A OD1 no hydrogen 3.022 N/A VAL 10.A N PHE 6.A O no hydrogen 3.103 N/A LEU 11.A N SER 7.A O no hydrogen 2.969 N/A ASP 12.A N ALA 8.A O no hydrogen 2.978 N/A TRP 13.A N GLN 9.A O no hydrogen 3.076 N/A TYR 14.A N VAL 10.A O no hydrogen 2.902 N/A TYR 14.A OH ARG 19.A O no hydrogen 2.524 N/A ASP 15.A N LEU 11.A O no hydrogen 3.008 N/A LYS 16.A N TRP 13.A O no hydrogen 3.151 N/A TYR 17.A N TRP 13.A O no hydrogen 2.919 N/A GLY 18.A N TYR 14.A O no hydrogen 2.980 N/A ARG 19.A N ASP 186.A OD2 no hydrogen 3.166 N/A ARG 19.A NE ASP 186.A OD1 no hydrogen 2.899 N/A ARG 19.A NH2 ASP 186.A OD1 no hydrogen 2.842 N/A LYS 20.A NZ ASP 15.A O no hydrogen 2.984 N/A LEU 22.A N GLN 25.A OE1 no hydrogen 2.711 N/A GLN 25.A N LEU 22.A O no hydrogen 3.052 N/A GLN 25.A NE2 ARG 19.A O no hydrogen 3.084 N/A ILE 26.A N PRO 23.A O no hydrogen 3.215 N/A LYS 28.A NZ.A SER 129.A O no hydrogen 3.376 N/A LYS 28.A NZ.B LEU 128.A O no hydrogen 2.600 N/A LYS 28.A NZ.B GLU 178.A OE1 no hydrogen 3.075 N/A TYR 31.A OH PHE 59.A O no hydrogen 2.811 N/A LYS 32.A N THR 29.A OG1 no hydrogen 3.127 N/A LYS 32.A NZ ILE 26.A O no hydrogen 2.956 N/A LYS 32.A NZ ASP 27.A O no hydrogen 2.897 N/A VAL 33.A N THR 29.A O no hydrogen 3.041 N/A TRP 34.A N PRO 30.A O no hydrogen 2.875 N/A LEU 35.A N TYR 31.A O no hydrogen 3.062 N/A SER 36.A N LYS 32.A O no hydrogen 3.114 N/A SER 36.A OG LYS 32.A O no hydrogen 3.479 N/A SER 36.A OG VAL 33.A O no hydrogen 2.930 N/A GLU 37.A N VAL 33.A O no hydrogen 2.937 N/A VAL 38.A N TRP 34.A O no hydrogen 3.077 N/A MET 39.A N LEU 35.A O no hydrogen 3.099 N/A LEU 40.A N SER 36.A O no hydrogen 2.939 N/A GLN 41.A N VAL 38.A O no hydrogen 3.316 N/A THR 43.A OG1 MET 39.A O no hydrogen 3.458 N/A THR 43.A OG1 LEU 80.A O no hydrogen 3.497 N/A ALA 46.A N GLN 44.A OE1 no hydrogen 3.351 N/A VAL 48.A N GLN 44.A O no hydrogen 3.124 N/A ILE 49.A N VAL 45.A O no hydrogen 3.201 N/A TYR 51.A OH THR 78.A O no hydrogen 2.713 N/A PHE 52.A N VAL 48.A O no hydrogen 2.980 N/A GLU 53.A N ILE 49.A O no hydrogen 3.078 N/A ARG 54.A N PRO 50.A O no hydrogen 3.040 N/A PHE 55.A N TYR 51.A O no hydrogen 2.940 N/A MET 56.A N PHE 52.A O no hydrogen 2.971 N/A ALA 57.A N GLU 53.A O no hydrogen 3.100 N/A ARG 58.A N ARG 54.A O no hydrogen 3.166 N/A ARG 58.A NH1 ARG 58.A O no hydrogen 2.916 N/A PHE 59.A N PHE 55.A O no hydrogen 2.829 N/A THR 61.A N ASP 64.A OD2 no hydrogen 3.240 N/A THR 61.A OG1 ASP 64.A OD2 no hydrogen 2.776 N/A ASP 64.A N THR 61.A OG1 no hydrogen 3.332 N/A LEU 65.A N THR 61.A O no hydrogen 3.325 N/A ALA 66.A N VAL 62.A O no hydrogen 2.902 N/A ASN 67.A N THR 63.A O no hydrogen 3.004 N/A ALA 68.A N ASP 64.A O no hydrogen 3.268 N/A ALA 68.A N LEU 65.A O no hydrogen 3.335 N/A GLU 72.A N PRO 69.A O no hydrogen 2.964 N/A VAL 73.A N PRO 69.A O no hydrogen 3.444 N/A LEU 74.A N LEU 70.A O no hydrogen 2.991 N/A HIS 75.A N ASP 71.A O no hydrogen 2.983 N/A LEU 76.A N GLU 72.A O no hydrogen 3.076 N/A TRP 77.A N VAL 73.A O no hydrogen 3.047 N/A TRP 77.A NE1 GLY 81.A O no hydrogen 3.007 N/A THR 78.A N HIS 75.A O no hydrogen 3.231 N/A THR 78.A OG1 LEU 74.A O no hydrogen 3.191 N/A THR 78.A OG1 HIS 75.A O no hydrogen 2.991 N/A LEU 80.A N TRP 77.A O no hydrogen 2.938 N/A ARG 85.A N TYR 82.A O no hydrogen 3.114 N/A ARG 85.A NE TYR 82.A O no hydrogen 3.328 N/A ARG 85.A NH1 VAL 38.A O no hydrogen 3.048 N/A ARG 85.A NH1 MET 39.A O no hydrogen 2.882 N/A ARG 85.A NH2 THR 43.A OG1 no hydrogen 3.257 N/A ARG 85.A NH2 GLY 81.A O no hydrogen 3.064 N/A ALA 86.A N TYR 83.A O no hydrogen 2.882 N/A ARG 87.A N TYR 83.A O no hydrogen 3.079 N/A ASN 88.A N ALA 84.A O no hydrogen 2.950 N/A LEU 89.A N ARG 85.A O no hydrogen 2.928 N/A HIS 90.A N ALA 86.A O no hydrogen 3.058 N/A HIS 90.A NE2 ALA 68.A O no hydrogen 2.808 N/A LYS 91.A N ARG 87.A O no hydrogen 3.209 N/A ALA 92.A N ASN 88.A O no hydrogen 2.918 N/A ALA 93.A N LEU 89.A O no hydrogen 3.066 N/A GLN 94.A N HIS 90.A O no hydrogen 3.093 N/A GLN 94.A NE2 ALA 66.A O no hydrogen 3.430 N/A GLN 95.A N.A LYS 91.A O no hydrogen 2.904 N/A GLN 95.A N.B LYS 91.A O no hydrogen 2.894 N/A GLN 95.A N.B ALA 92.A O no hydrogen 3.130 N/A VAL 96.A N ALA 92.A O no hydrogen 3.021 N/A ALA 97.A N ALA 93.A O no hydrogen 2.997 N/A THR 98.A N GLN 94.A O no hydrogen 2.876 N/A THR 98.A OG1 GLN 94.A O no hydrogen 2.745 N/A LEU 99.A N GLN 95.A O.A no hydrogen 2.807 N/A LEU 99.A N GLN 95.A O.B no hydrogen 2.891 N/A HIS 100.A N VAL 96.A O no hydrogen 3.073 N/A GLY 102.A N VAL 96.A O no hydrogen 3.137 N/A LYS 103.A N HIS 100.A O no hydrogen 3.113 N/A LYS 103.A NZ GLU 106.A OE2 no hydrogen 3.501 N/A THR 107.A OG1 GLU 110.A OE2 no hydrogen 3.272 N/A VAL 111.A N THR 107.A O no hydrogen 3.037 N/A ALA 112.A N PHE 108.A O no hydrogen 2.950 N/A ALA 113.A N GLU 109.A O no hydrogen 3.189 N/A LEU 114.A N VAL 111.A O no hydrogen 3.136 N/A VAL 117.A N LEU 114.A O no hydrogen 3.215 N/A ALA 122.A N GLY 118.A O no hydrogen 2.892 N/A GLY 123.A N ARG 119.A O no hydrogen 3.164 N/A ALA 124.A N SER 120.A O no hydrogen 2.856 N/A ILE 125.A N THR 121.A O no hydrogen 2.970 N/A LEU 126.A N ALA 122.A O no hydrogen 3.216 N/A SER 127.A N GLY 123.A O no hydrogen 2.998 N/A SER 127.A OG GLY 123.A O no hydrogen 2.690 N/A SER 127.A OG ALA 124.A O no hydrogen 3.419 N/A LEU 128.A N ALA 124.A O no hydrogen 2.991 N/A SER 129.A N ILE 125.A O no hydrogen 3.161 N/A SER 129.A OG ILE 125.A O no hydrogen 2.667 N/A LEU 130.A N LEU 126.A O no hydrogen 3.215 N/A GLY 131.A N SER 127.A O no hydrogen 2.992 N/A LYS 132.A N LEU 126.A O no hydrogen 3.237 N/A LYS 132.A NZ GLU 106.A O no hydrogen 3.007 N/A PHE 134.A N LYS 132.A O no hydrogen 3.099 N/A LEU 137.A N SER 120.A OG no hydrogen 2.944 N/A ASN 140.A ND2 MET 185.A O no hydrogen 3.445 N/A VAL 141.A N ASP 138.A OD1 no hydrogen 3.012 N/A LYS 142.A N ASP 138.A O no hydrogen 2.946 N/A LYS 142.A NZ GLU 161.A OE1 no hydrogen 3.105 N/A LYS 142.A NZ GLU 161.A OE2 no hydrogen 2.996 N/A ARG 143.A N GLY 139.A O no hydrogen 3.310 N/A ARG 143.A NE CYS 192.A O no hydrogen 2.931 N/A ARG 143.A NH2 ASN 140.A OD1 no hydrogen 3.222 N/A ARG 143.A NH2 GLY 188.A O no hydrogen 2.832 N/A ARG 143.A NH2 CYS 192.A O no hydrogen 3.498 N/A VAL 144.A N ASN 140.A O no hydrogen 3.352 N/A LEU 145.A N VAL 141.A O no hydrogen 3.129 N/A ALA 146.A N LYS 142.A O no hydrogen 2.928 N/A ARG 147.A N ARG 143.A O no hydrogen 3.067 N/A ARG 147.A NE TRP 216.A O no hydrogen 3.328 N/A ARG 147.A NE TYR 219.A O no hydrogen 3.145 N/A ARG 147.A NH1 THR 193.A O no hydrogen 2.864 N/A ARG 147.A NH2 THR 193.A O no hydrogen 3.491 N/A ARG 147.A NH2 ARG 194.A O no hydrogen 3.215 N/A CYS 148.A N VAL 144.A O no hydrogen 2.990 N/A TYR 149.A N LEU 145.A O no hydrogen 3.019 N/A TYR 149.A OH MET 1.A O no hydrogen 2.770 N/A ALA 150.A N ARG 147.A O no hydrogen 3.347 N/A VAL 151.A N ALA 146.A O no hydrogen 2.896 N/A LYS 157.A N TRP 154.A O no hydrogen 2.974 N/A VAL 160.A N LYS 157.A O no hydrogen 3.000 N/A GLU 161.A N LYS 157.A O no hydrogen 3.098 N/A ASN 162.A N LYS 158.A O no hydrogen 2.866 N/A LYS 163.A N GLU 159.A O no hydrogen 3.262 N/A LEU 164.A N VAL 160.A O no hydrogen 3.016 N/A TRP 165.A N GLU 161.A O no hydrogen 2.928 N/A SER 166.A N ASN 162.A O no hydrogen 3.058 N/A SER 166.A OG GLN 170.A OE1 no hydrogen 3.344 N/A LEU 167.A N LYS 163.A O no hydrogen 3.055 N/A SER 168.A N LEU 164.A O no hydrogen 2.928 N/A SER 168.A OG ILE 136.A O no hydrogen 2.734 N/A GLU 169.A N TRP 165.A O no hydrogen 2.963 N/A GLN 170.A N SER 166.A O no hydrogen 3.026 N/A VAL 171.A N LEU 167.A O no hydrogen 3.136 N/A THR 172.A N SER 168.A O no hydrogen 3.050 N/A THR 172.A OG1 SER 168.A O no hydrogen 2.711 N/A VAL 177.A N ALA 174.A O no hydrogen 3.365 N/A PHE 180.A N GLY 176.A O no hydrogen 2.867 N/A ASN 181.A N VAL 177.A O no hydrogen 2.939 N/A ASN 181.A ND2 SER 127.A OG no hydrogen 3.009 N/A ASN 181.A ND2 PHE 134.A O no hydrogen 3.220 N/A GLN 182.A N GLU 178.A O no hydrogen 3.311 N/A GLN 182.A NE2 ASP 186.A OD1 no hydrogen 3.020 N/A ALA 183.A N ARG 179.A O no hydrogen 2.929 N/A MET 184.A N PHE 180.A O no hydrogen 2.973 N/A MET 185.A N ASN 181.A O no hydrogen 3.389 N/A ASP 186.A N GLN 182.A O no hydrogen 3.028 N/A LEU 187.A N ALA 183.A O no hydrogen 2.924 N/A GLY 188.A N MET 184.A O no hydrogen 3.162 N/A ALA 189.A N MET 185.A O no hydrogen 2.942 N/A MET 190.A N ASP 186.A O no hydrogen 2.961 N/A ILE 191.A N LEU 187.A O no hydrogen 2.935 N/A CYS 192.A N LEU 187.A O no hydrogen 2.779 N/A THR 193.A OG1 SER 195.A O no hydrogen 3.035 N/A LYS 198.A N ILE 191.A O no hydrogen 2.959 N/A LEU 201.A N LYS 198.A O no hydrogen 2.915 N/A CYS 202.A N CYS 199.A O no hydrogen 3.055 N/A GLN 205.A N CYS 202.A O no hydrogen 3.213 N/A GLN 205.A NE2 SER 200.A O no hydrogen 3.070 N/A GLN 205.A NE2 CYS 202.A O no hydrogen 3.002 N/A ASN 206.A ND2 GLN 9.A OE1 no hydrogen 3.398 N/A GLY 207.A N LEU 204.A O no hydrogen 3.099 N/A CYS 208.A N LEU 204.A O no hydrogen 3.021 N/A ILE 209.A N CYS 148.A O no hydrogen 3.113 N/A ALA 210.A N ARG 147.A O no hydrogen 3.206 N/A ALA 212.A N CYS 208.A O no hydrogen 3.135 N/A ASN 213.A N ILE 209.A O no hydrogen 3.302 N/A ASN 213.A N ALA 210.A O no hydrogen 3.242 N/A ASN 213.A ND2 ILE 209.A O no hydrogen 3.031 N/A SER 215.A N ALA 210.A O no hydrogen 3.014 N/A LEU 218.A N SER 215.A O no hydrogen 3.125 N/A TYR 219.A N TRP 216.A O no hydrogen 3.316 N/A GLY 221.A N GLY 153.A O no hydrogen 2.929 N/A LYS 222.A NZ ALA 217.A O no hydrogen 3.404 N/A