Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6mlk_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 1.A OG ASP 178.A OD1 no hydrogen 2.780 N/A ARG 4.A NE GLU 172.A OE1 no hydrogen 3.280 N/A ARG 4.A NE GLU 172.A OE2 no hydrogen 2.941 N/A ARG 4.A NH2 GLU 172.A OE1 no hydrogen 2.549 N/A ASP 5.A N SER 1.A O no hydrogen 2.918 N/A GLY 6.A N ALA 2.A O no hydrogen 2.879 N/A TYR 7.A N LEU 3.A O no hydrogen 2.839 N/A ARG 8.A N ARG 4.A O no hydrogen 3.016 N/A GLN 9.A N ASP 5.A O no hydrogen 2.920 N/A ALA 10.A N GLY 6.A O no hydrogen 2.674 N/A GLY 11.A N TYR 7.A O no hydrogen 3.016 N/A VAL 12.A N ARG 8.A O no hydrogen 3.172 N/A SER 13.A N GLN 9.A O no hydrogen 2.956 N/A SER 13.A OG GLN 9.A O no hydrogen 2.903 N/A SER 13.A OG GLN 9.A OE1 no hydrogen 3.126 N/A ARG 15.A N ALA 10.A O no hydrogen 2.971 N/A ARG 15.A NE SER 13.A OG no hydrogen 2.678 N/A ARG 15.A NH2 GLN 9.A OE1 no hydrogen 3.234 N/A ARG 15.A NH2 SER 13.A OG no hydrogen 3.156 N/A ARG 17.A NH1 ASP 21.A OD1 no hydrogen 2.916 N/A ARG 17.A NH1 ASP 188.A OD2 no hydrogen 3.324 N/A ARG 17.A NH2 ASP 188.A OD1 no hydrogen 3.423 N/A SER 18.A OG ARG 15.A O no hydrogen 3.276 N/A TYR 19.A N ARG 15.A O no hydrogen 3.068 N/A TYR 19.A OH LEU 3.A O no hydrogen 2.823 N/A LEU 20.A N VAL 16.A O no hydrogen 2.711 N/A ASP 21.A N ARG 17.A O no hydrogen 3.063 N/A LEU 22.A N SER 18.A O no hydrogen 3.041 N/A LEU 23.A N TYR 19.A O no hydrogen 2.879 N/A ALA 24.A N LEU 20.A O no hydrogen 2.876 N/A GLY 25.A N ASP 21.A O no hydrogen 2.871 N/A LEU 26.A N LEU 22.A O no hydrogen 2.838 N/A SER 27.A N LEU 23.A O no hydrogen 2.874 N/A SER 27.A OG ALA 24.A O no hydrogen 2.647 N/A ASP 28.A N GLY 25.A O no hydrogen 3.268 N/A PHE 29.A N LEU 26.A O no hydrogen 2.717 N/A ARG 30.A N SER 27.A O no hydrogen 3.289 N/A ARG 30.A NH1 GLY 85.A O no hydrogen 3.541 N/A ARG 30.A NH1 THR 179.A O no hydrogen 2.952 N/A ARG 30.A NH1 THR 182.A OG1 no hydrogen 2.794 N/A ARG 30.A NH2 GLY 85.A O no hydrogen 2.784 N/A ARG 30.A NH2 GLU 90.A O no hydrogen 3.135 N/A HIS 32.A N GLU 31.A OE1 no hydrogen 2.599 N/A PHE 33.A N LEU 92.A O no hydrogen 2.824 N/A VAL 41.A N ALA 80.A O no hydrogen 2.969 N/A MET 43.A N VAL 78.A O no hydrogen 2.898 N/A GLU 47.A N GLU 47.A OE1 no hydrogen 2.394 N/A THR 49.A N PRO 113.A O no hydrogen 3.080 N/A VAL 50.A N PRO 77.A O no hydrogen 2.887 N/A ILE 51.A N VAL 115.A O no hydrogen 2.846 N/A CYS 52.A N ARG 79.A O no hydrogen 2.718 N/A CYS 53.A N ALA 117.A O no hydrogen 2.812 N/A CYS 53.A SG ALA 117.A O no hydrogen 3.884 N/A ALA 54.A N VAL 81.A O no hydrogen 2.921 N/A GLY 55.A N GLU 64.A OE2 no hydrogen 2.921 N/A SER 60.A N ALA 57.A O no hydrogen 2.847 N/A SER 60.A OG GLU 64.A OE2 no hydrogen 3.167 N/A GLY 61.A N GLU 64.A OE2 no hydrogen 2.956 N/A HIS 63.A NE2 ILE 59.A O no hydrogen 3.056 N/A GLU 64.A N GLY 61.A O no hydrogen 3.034 N/A PHE 65.A N PRO 62.A O no hydrogen 3.242 N/A THR 66.A N HIS 63.A O no hydrogen 3.081 N/A THR 66.A OG1 HIS 63.A O no hydrogen 3.010 N/A ALA 69.A N PHE 65.A O no hydrogen 2.825 N/A GLY 70.A N THR 66.A O no hydrogen 3.083 N/A ALA 71.A N ARG 67.A O no hydrogen 3.004 N/A LEU 72.A N ALA 69.A O no hydrogen 2.874 N/A ARG 73.A N GLY 70.A O no hydrogen 3.202 N/A ILE 75.A N LEU 72.A O no hydrogen 2.711 N/A ALA 76.A N LEU 72.A O no hydrogen 3.107 N/A ARG 79.A N VAL 50.A O no hydrogen 3.140 N/A ARG 79.A NE ASP 42.A OD1 no hydrogen 2.731 N/A ARG 79.A NH1 THR 110.A OG1 no hydrogen 2.914 N/A ARG 79.A NH2 ASP 42.A OD1 no hydrogen 2.655 N/A ALA 80.A N VAL 41.A O no hydrogen 2.811 N/A VAL 81.A N CYS 52.A O no hydrogen 2.546 N/A GLN 83.A NE2 ALA 54.A O no hydrogen 2.908 N/A GLY 85.A N GLU 90.A OE1 no hydrogen 2.710 N/A TYR 86.A OH THR 56.A O no hydrogen 2.634 N/A GLU 87.A N GLU 90.A OE1 no hydrogen 3.369 N/A GLU 90.A N GLU 87.A O no hydrogen 3.148 N/A LEU 92.A N GLU 31.A O no hydrogen 3.002 N/A SER 94.A N PHE 33.A O no hydrogen 2.814 N/A ALA 98.A N SER 95.A O no hydrogen 3.083 N/A ALA 98.A N SER 95.A OG no hydrogen 2.958 N/A VAL 99.A N SER 95.A O no hydrogen 3.332 N/A ALA 100.A N MET 96.A O no hydrogen 3.014 N/A ALA 101.A N ALA 97.A O no hydrogen 3.041 N/A VAL 102.A N ALA 98.A O no hydrogen 3.462 N/A GLN 103.A N VAL 99.A O no hydrogen 2.973 N/A GLN 103.A NE2 PRO 82.A O no hydrogen 3.224 N/A GLN 103.A NE2 GLN 83.A OE1 no hydrogen 2.926 N/A ALA 104.A N ALA 100.A O no hydrogen 2.616 N/A ASP 105.A N ALA 101.A O no hydrogen 2.833 N/A ALA 106.A N VAL 102.A O no hydrogen 3.224 N/A VAL 107.A N GLN 103.A O no hydrogen 3.091 N/A ILE 108.A N ALA 104.A O no hydrogen 3.066 N/A ARG 109.A N ASP 105.A O no hydrogen 2.880 N/A ARG 109.A NE ASP 105.A O no hydrogen 3.256 N/A THR 110.A N VAL 107.A O no hydrogen 3.011 N/A THR 110.A OG1 ALA 106.A O no hydrogen 2.618 N/A GLN 111.A NE2 LYS 112.A O no hydrogen 3.015 N/A GLN 111.A NE2 PRO 113.A O no hydrogen 3.576 N/A LYS 112.A NZ GLY 46.A O no hydrogen 3.428 N/A LYS 112.A NZ GLU 47.A O no hydrogen 2.714 N/A VAL 115.A N THR 49.A O no hydrogen 2.790 N/A VAL 116.A N GLY 142.A O no hydrogen 3.113 N/A ALA 117.A N ILE 51.A O no hydrogen 2.703 N/A GLY 118.A N VAL 144.A O no hydrogen 3.268 N/A HIS 119.A NE2 HIS 237.A O no hydrogen 3.015 N/A SER 120.A N ILE 146.A O no hydrogen 2.819 N/A SER 120.A OG HIS 237.A NE2 no hydrogen 3.117 N/A ALA 123.A N SER 120.A O no hydrogen 2.842 N/A MET 125.A N ALA 121.A O no hydrogen 3.126 N/A ALA 126.A N GLY 122.A O no hydrogen 2.805 N/A TYR 127.A N ALA 123.A O no hydrogen 2.869 N/A TYR 127.A OH ARG 197.A O no hydrogen 2.897 N/A TYR 127.A OH THR 199.A OG1 no hydrogen 2.600 N/A ALA 128.A N LEU 124.A O no hydrogen 2.989 N/A LEU 129.A N MET 125.A O no hydrogen 2.860 N/A ALA 130.A N ALA 126.A O no hydrogen 2.877 N/A THR 131.A N TYR 127.A O no hydrogen 2.833 N/A THR 131.A OG1 TYR 127.A O no hydrogen 2.730 N/A GLU 132.A N ALA 128.A O no hydrogen 2.957 N/A LEU 133.A N LEU 129.A O no hydrogen 2.769 N/A LEU 134.A N ALA 130.A O no hydrogen 2.852 N/A ASP 135.A N THR 131.A O no hydrogen 2.921 N/A ARG 136.A N GLU 132.A O no hydrogen 3.157 N/A ARG 136.A N LEU 133.A O no hydrogen 3.169 N/A ARG 136.A NH1 ASP 105.A OD1 no hydrogen 2.443 N/A GLY 137.A N LEU 134.A O no hydrogen 3.434 N/A HIS 138.A N LEU 133.A O no hydrogen 3.076 N/A ARG 141.A N PHE 114.A O no hydrogen 2.789 N/A VAL 143.A N PRO 202.A O no hydrogen 3.009 N/A VAL 144.A N VAL 116.A O no hydrogen 2.938 N/A LEU 145.A N LEU 204.A O no hydrogen 2.775 N/A ILE 146.A N GLY 118.A O no hydrogen 3.003 N/A ASP 147.A N VAL 206.A O no hydrogen 2.883 N/A TYR 149.A OH TRP 220.A O no hydrogen 2.829 N/A HIS 153.A N PRO 150.A O no hydrogen 3.055 N/A GLN 154.A NE2 TYR 149.A O no hydrogen 2.871 N/A ASN 158.A N GLN 154.A O no hydrogen 3.090 N/A ALA 159.A N ASP 155.A O no hydrogen 3.021 N/A TRP 160.A N MET 157.A O no hydrogen 3.142 N/A TRP 160.A NE1 PRO 214.A O no hydrogen 3.090 N/A GLU 163.A N GLU 163.A OE2 no hydrogen 2.508 N/A LEU 164.A N TRP 160.A O no hydrogen 2.808 N/A THR 165.A N LEU 161.A O no hydrogen 2.934 N/A THR 165.A OG1 LEU 161.A O no hydrogen 2.458 N/A ALA 166.A N GLU 162.A O no hydrogen 3.017 N/A THR 167.A N GLU 163.A O no hydrogen 2.885 N/A THR 167.A OG1 GLU 163.A O no hydrogen 2.971 N/A LEU 168.A N LEU 164.A O no hydrogen 2.773 N/A PHE 169.A N THR 165.A O no hydrogen 3.309 N/A PHE 169.A N ALA 166.A O no hydrogen 3.027 N/A ASP 170.A N ALA 166.A O no hydrogen 3.144 N/A ARG 171.A N THR 167.A O no hydrogen 3.116 N/A ARG 171.A NH1 GLU 243.A OE2 no hydrogen 3.563 N/A ARG 171.A NH2 GLU 243.A OE1 no hydrogen 3.241 N/A THR 173.A OG1 ARG 171.A O no hydrogen 3.539 N/A MET 176.A N GLU 172.A OE2 no hydrogen 2.678 N/A ARG 180.A N ASP 177.A OD1 no hydrogen 3.168 N/A ARG 180.A NH1 ALA 58.A O no hydrogen 2.923 N/A ARG 180.A NH1 SER 60.A O no hydrogen 2.850 N/A ARG 180.A NH2 SER 60.A O no hydrogen 3.461 N/A ARG 180.A NH2 GLU 87.A OE2 no hydrogen 3.198 N/A LEU 181.A N ASP 177.A O no hydrogen 2.945 N/A THR 182.A N ASP 178.A O no hydrogen 2.997 N/A THR 182.A OG1 ASP 178.A O no hydrogen 3.090 N/A THR 182.A OG1 THR 179.A O no hydrogen 3.320 N/A ALA 183.A N THR 179.A O no hydrogen 3.193 N/A LEU 184.A N ARG 180.A O no hydrogen 2.856 N/A GLY 185.A N LEU 181.A O no hydrogen 3.180 N/A ALA 186.A N THR 182.A O no hydrogen 2.871 N/A TYR 187.A N ALA 183.A O no hydrogen 2.745 N/A TYR 187.A OH PRO 84.A O no hydrogen 2.647 N/A ASP 188.A N LEU 184.A O no hydrogen 2.874 N/A ARG 189.A N GLY 185.A O no hydrogen 3.199 N/A ARG 189.A NH1 ASP 28.A OD1 no hydrogen 2.959 N/A ARG 189.A NH1 ASP 28.A OD2 no hydrogen 3.162 N/A ARG 189.A NH2 ASP 28.A OD2 no hydrogen 3.289 N/A LEU 190.A N ALA 186.A O no hydrogen 3.219 N/A THR 191.A N TYR 187.A O no hydrogen 2.854 N/A THR 191.A OG1 TYR 187.A O no hydrogen 3.121 N/A THR 191.A OG1 ASP 188.A O no hydrogen 3.354 N/A GLY 192.A N ASP 188.A O no hydrogen 3.074 N/A GLN 193.A N ARG 189.A O no hydrogen 3.074 N/A TRP 194.A N THR 191.A O no hydrogen 3.363 N/A ARG 195.A NH1 GLY 192.A O no hydrogen 3.090 N/A ARG 195.A NH1 TRP 194.A O no hydrogen 3.135 N/A ARG 197.A NH1 ASP 135.A OD1 no hydrogen 3.187 N/A ARG 197.A NH1 ASP 135.A OD2 no hydrogen 3.038 N/A ARG 197.A NH2 ASP 135.A OD2 no hydrogen 2.827 N/A THR 199.A OG1 TYR 127.A OH no hydrogen 2.600 N/A THR 203.A OG1 LEU 201.A O no hydrogen 2.906 N/A LEU 204.A N VAL 143.A O no hydrogen 2.931 N/A LEU 205.A N ASP 229.A O no hydrogen 2.631 N/A VAL 206.A N LEU 145.A O no hydrogen 2.775 N/A SER 207.A N.A VAL 231.A O no hydrogen 2.764 N/A SER 207.A N.B VAL 231.A O no hydrogen 2.770 N/A SER 207.A OG.A ALA 208.A O no hydrogen 2.928 N/A SER 207.A OG.B VAL 231.A O no hydrogen 3.220 N/A ALA 208.A N ASP 147.A OD1 no hydrogen 2.837 N/A GLY 209.A N GLY 235.A O no hydrogen 3.130 N/A GLU 210.A N GLY 235.A O no hydrogen 3.133 N/A TRP 215.A NE1 SER 219.A OG no hydrogen 3.029 N/A SER 219.A N ASP 217.A OD1 no hydrogen 2.890 N/A SER 219.A OG ASP 217.A OD1 no hydrogen 2.189 N/A LYS 221.A N ASP 218.A O no hydrogen 3.214 N/A THR 223.A N VAL 148.A O no hydrogen 3.447 N/A HIS 228.A ND1 PHE 226.A O no hydrogen 2.657 N/A ASP 229.A N THR 203.A O no hydrogen 2.819 N/A VAL 231.A N LEU 205.A O no hydrogen 2.739 N/A VAL 233.A N SER 207.A O.A no hydrogen 3.019 N/A VAL 233.A N SER 207.A O.B no hydrogen 3.059 N/A ASP 236.A N THR 239.A OG1 no hydrogen 2.799 N/A HIS 237.A ND1 ASP 147.A OD2 no hydrogen 2.842 N/A PHE 238.A N ASP 236.A OD1 no hydrogen 2.573 N/A THR 239.A N ASP 236.A OD1 no hydrogen 2.721 N/A THR 239.A OG1 ASP 236.A OD1 no hydrogen 3.283 N/A MET 240.A N ASP 236.A O no hydrogen 3.074 N/A GLN 242.A N THR 239.A O no hydrogen 3.015 N/A GLN 242.A NE2 GLU 64.A O no hydrogen 2.743 N/A GLU 243.A N GLU 243.A OE1 no hydrogen 2.884 N/A HIS 244.A N THR 239.A O no hydrogen 3.130 N/A ALA 245.A N GLN 242.A O no hydrogen 3.191 N/A ALA 247.A N HIS 244.A O no hydrogen 2.957 N/A ALA 249.A N ALA 245.A O no hydrogen 2.991 N/A ARG 250.A N ASP 246.A O no hydrogen 3.096 N/A HIS 251.A N ALA 247.A O no hydrogen 3.334 N/A ILE 252.A N ILE 248.A O no hydrogen 2.901 N/A ASP 253.A N ALA 249.A O no hydrogen 2.840 N/A ALA 254.A N ARG 250.A O no hydrogen 3.001 N/A TRP 255.A N HIS 251.A O no hydrogen 3.012 N/A LEU 256.A N ILE 252.A O no hydrogen 3.001 N/A LEU 256.A N ASP 253.A O no hydrogen 2.922 N/A GLY 257.A N ALA 254.A O no hydrogen 3.106 N/A