Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2y31_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TRP 5.A N SER 3.A OG no hydrogen 3.223 N/A TRP 5.A NE1 GLU 71.A OE2 no hydrogen 2.745 N/A MET 6.A N SER 3.A O no hydrogen 2.986 N/A HIS 7.A N ILE 4.A O no hydrogen 3.308 N/A ARG 13.A N LEU 22.A O no hydrogen 3.219 N/A ARG 14.A NE SER 18.A O no hydrogen 2.719 N/A ARG 14.A NH2 SER 18.A O no hydrogen 2.959 N/A SER 18.A N SER 15.A O no hydrogen 2.919 N/A SER 18.A OG GLY 53.A O no hydrogen 3.453 N/A LEU 22.A N ARG 13.A O no hydrogen 2.929 N/A ARG 24.A N GLU 9.A OE2 no hydrogen 2.997 N/A ARG 24.A NE TYR 62.A O no hydrogen 3.063 N/A ARG 24.A NH1 HIS 7.A O no hydrogen 3.404 N/A ARG 24.A NH2 HIS 7.A O no hydrogen 3.310 N/A ARG 24.A NH2 TYR 62.A O no hydrogen 3.148 N/A GLN 26.A N SER 23.A OG no hydrogen 3.315 N/A GLN 26.A NE2 THR 21.A O no hydrogen 3.305 N/A ILE 27.A N SER 23.A O no hydrogen 3.112 N/A VAL 28.A N ARG 24.A O no hydrogen 2.952 N/A ARG 29.A N ASP 25.A O no hydrogen 2.996 N/A ALA 30.A N GLN 26.A O no hydrogen 3.059 N/A ALA 31.A N ILE 27.A O no hydrogen 2.813 N/A VAL 32.A N VAL 28.A O no hydrogen 2.860 N/A LYS 33.A N ARG 29.A O no hydrogen 3.225 N/A VAL 34.A N ALA 30.A O no hydrogen 3.198 N/A ALA 35.A N ALA 31.A O no hydrogen 2.835 N/A ASP 36.A N VAL 32.A O no hydrogen 2.901 N/A THR 37.A N LYS 33.A O no hydrogen 3.299 N/A THR 37.A N VAL 34.A O no hydrogen 3.236 N/A THR 37.A OG1 LYS 33.A O no hydrogen 3.038 N/A THR 37.A OG1 VAL 34.A O no hydrogen 3.180 N/A GLU 38.A N VAL 34.A O no hydrogen 2.798 N/A GLY 39.A N ALA 35.A O no hydrogen 2.866 N/A ALA 43.A N VAL 40.A O no hydrogen 2.961 N/A ARG 47.A N SER 44.A OG no hydrogen 3.156 N/A ARG 47.A NH1 ARG 47.A O no hydrogen 3.515 N/A ARG 47.A NH1 GLU 51.A OE1.A no hydrogen 2.610 N/A ARG 47.A NH2 GLU 38.A OE2 no hydrogen 2.700 N/A VAL 48.A N SER 44.A O no hydrogen 2.985 N/A ALA 49.A N MET 45.A O no hydrogen 2.980 N/A ALA 50.A N ARG 46.A O no hydrogen 2.898 N/A GLU 51.A N ARG 47.A O no hydrogen 3.038 N/A LEU 52.A N VAL 48.A O no hydrogen 3.261 N/A LEU 52.A N ALA 49.A O no hydrogen 3.072 N/A GLY 53.A N ALA 50.A O no hydrogen 3.266 N/A ALA 54.A N ALA 49.A O no hydrogen 2.831 N/A SER 58.A OG GLY 55.A O no hydrogen 2.656 N/A LEU 59.A N THR 56.A O no hydrogen 3.183 N/A TYR 60.A N MET 57.A O no hydrogen 3.144 N/A TYR 61.A N SER 58.A O no hydrogen 3.338 N/A TYR 62.A N LEU 59.A O no hydrogen 2.831 N/A TYR 62.A OH ALA 11.A O no hydrogen 2.958 N/A VAL 63.A N LEU 59.A O no hydrogen 3.022 N/A LYS 66.A NZ VAL 40.A O no hydrogen 2.996 N/A LYS 66.A NZ ALA 43.A O no hydrogen 3.357 N/A ASP 68.A N THR 65.A OG1 no hydrogen 3.115 N/A LEU 69.A N THR 65.A O no hydrogen 2.996 N/A VAL 70.A N LYS 66.A O no hydrogen 2.879 N/A GLU 71.A N GLU 67.A O no hydrogen 2.937 N/A LEU 72.A N ASP 68.A O no hydrogen 2.809 N/A MET 73.A N LEU 69.A O no hydrogen 2.763 N/A VAL 74.A N VAL 70.A O no hydrogen 2.878 N/A ASP 75.A N GLU 71.A O no hydrogen 3.064 N/A GLU 76.A N LEU 72.A O no hydrogen 2.918 N/A VAL 77.A N MET 73.A O no hydrogen 3.141 N/A ILE 78.A N VAL 74.A O no hydrogen 3.180 N/A GLY 79.A N GLU 76.A O no hydrogen 3.001 N/A GLU 80.A N VAL 77.A O no hydrogen 2.925 N/A THR 81.A N ILE 78.A O no hydrogen 3.179 N/A THR 81.A OG1 ILE 78.A O no hydrogen 3.141 N/A THR 81.A OG1 GLN 130.A OE1 no hydrogen 3.386 N/A ARG 82.A N GLU 101.A OE1 no hydrogen 2.851 N/A ARG 92.A NH1 ASP 230.A OD1 no hydrogen 2.961 N/A ARG 92.A NH2 GLU 226.A O no hydrogen 3.549 N/A ARG 92.A NH2 GLU 226.A OE1 no hydrogen 2.813 N/A ARG 92.A NH2 ASP 230.A OD1 no hydrogen 3.166 N/A ALA 93.A N ASP 90.A OD1 no hydrogen 3.299 N/A ALA 94.A N ASP 90.A O no hydrogen 3.045 N/A LEU 95.A N TRP 91.A O no hydrogen 2.996 N/A THR 96.A N ARG 92.A O no hydrogen 2.919 N/A THR 96.A OG1 ARG 92.A O no hydrogen 2.678 N/A LEU 97.A N ALA 93.A O no hydrogen 3.015 N/A ALA 98.A N ALA 94.A O no hydrogen 3.175 N/A ALA 99.A N LEU 95.A O no hydrogen 2.893 N/A ASN 100.A N THR 96.A O no hydrogen 3.089 N/A GLU 101.A N LEU 97.A O no hydrogen 3.026 N/A LYS 102.A N ALA 98.A O no hydrogen 2.932 N/A LYS 102.A NZ GLU 160.A OE2 no hydrogen 3.018 N/A ARG 103.A N ALA 99.A O no hydrogen 2.980 N/A ARG 103.A NE GLU 166.A OE1 no hydrogen 2.834 N/A ARG 103.A NH1 ASP 218.A OD1 no hydrogen 3.142 N/A ARG 103.A NH2 GLU 166.A OE1 no hydrogen 3.560 N/A ARG 103.A NH2 GLU 166.A OE2 no hydrogen 2.967 N/A ARG 103.A NH2 ASP 218.A OD1 no hydrogen 3.003 N/A ALA 104.A N ASN 100.A O no hydrogen 3.041 N/A LEU 105.A N GLU 101.A O no hydrogen 2.999 N/A TRP 106.A N LYS 102.A O no hydrogen 2.931 N/A LEU 107.A N ARG 103.A O no hydrogen 2.924 N/A ARG 108.A N ALA 104.A O no hydrogen 2.942 N/A ARG 108.A NE GLU 80.A OE1 no hydrogen 3.190 N/A ARG 108.A NH2 GLU 80.A OE1 no hydrogen 3.362 N/A HIS 109.A N LEU 105.A O no hydrogen 2.781 N/A HIS 109.A ND1 ASP 36.A OD1 no hydrogen 2.732 N/A HIS 109.A NE2 GLU 80.A OE1 no hydrogen 2.915 N/A HIS 109.A NE2 GLU 80.A OE2 no hydrogen 3.161 N/A TRP 111.A NE1 ASP 36.A OD1 no hydrogen 2.916 N/A LEU 112.A N HIS 109.A O no hydrogen 2.897 N/A ALA 113.A N PRO 110.A O no hydrogen 3.075 N/A THR 114.A N TRP 111.A O no hydrogen 3.160 N/A ALA 115.A N TRP 111.A O no hydrogen 2.838 N/A ASN 118.A ND2 GLU 67.A OE1 no hydrogen 2.850 N/A HIS 120.A NE2 GLU 71.A OE1 no hydrogen 2.769 N/A ASN 126.A N ASP 75.A OD2 no hydrogen 3.002 N/A ASN 126.A ND2 ASP 75.A O no hydrogen 2.720 N/A SER 127.A N ASP 75.A OD1 no hydrogen 2.770 N/A SER 127.A OG ASP 75.A OD1 no hydrogen 2.637 N/A LEU 128.A N GLY 124.A O no hydrogen 3.022 N/A ARG 129.A N PRO 125.A O no hydrogen 3.147 N/A ARG 129.A NH2 ASP 85.A OD1 no hydrogen 2.866 N/A GLN 130.A N ASN 126.A O no hydrogen 3.156 N/A GLN 131.A N SER 127.A O no hydrogen 2.924 N/A GLU 132.A N LEU 128.A O no hydrogen 2.974 N/A PHE 133.A N ARG 129.A O no hydrogen 3.161 N/A VAL 134.A N GLN 130.A O no hydrogen 2.983 N/A LEU 135.A N GLN 131.A O no hydrogen 2.881 N/A GLY 136.A N GLU 132.A O no hydrogen 2.883 N/A THR 137.A N VAL 134.A O no hydrogen 3.221 N/A THR 137.A OG1 VAL 134.A O no hydrogen 2.773 N/A GLY 139.A N GLY 136.A O no hydrogen 3.234 N/A PHE 141.A N LEU 138.A O no hydrogen 3.161 N/A GLN 144.A N GLU 147.A OE1 no hydrogen 2.897 N/A LEU 148.A N GLN 144.A O no hydrogen 2.922 N/A LEU 149.A N VAL 145.A O no hydrogen 2.929 N/A SER 150.A N ASP 146.A O no hydrogen 3.056 N/A LEU 151.A N GLU 147.A O no hydrogen 3.035 N/A ILE 152.A N LEU 148.A O no hydrogen 2.857 N/A GLY 153.A N LEU 149.A O no hydrogen 2.881 N/A LEU 154.A N SER 150.A O no hydrogen 3.148 N/A LEU 154.A N LEU 151.A O no hydrogen 2.985 N/A TYR 155.A N LEU 151.A O no hydrogen 3.257 N/A ASN 156.A N ILE 152.A O no hydrogen 2.803 N/A GLY 157.A N GLY 153.A O no hydrogen 2.831 N/A TYR 158.A N LEU 154.A O no hydrogen 3.080 N/A TYR 158.A OH PHE 221.A O no hydrogen 2.816 N/A VAL 159.A N TYR 155.A O no hydrogen 3.109 N/A GLU 160.A N ASN 156.A O no hydrogen 2.983 N/A SER 161.A N GLY 157.A O no hydrogen 3.173 N/A SER 161.A OG GLY 157.A O no hydrogen 2.879 N/A PHE 162.A N TYR 158.A O no hydrogen 3.140 N/A VAL 163.A N VAL 159.A O no hydrogen 3.015 N/A ARG 164.A N GLU 160.A O no hydrogen 2.766 N/A ARG 164.A NE ALA 113.A O no hydrogen 3.041 N/A ARG 164.A NH2 ALA 113.A O no hydrogen 3.451 N/A ASN 165.A N SER 161.A O no hydrogen 3.009 N/A GLU 166.A N PHE 162.A O no hydrogen 2.762 N/A VAL 167.A N VAL 163.A O no hydrogen 2.808 N/A GLY 168.A N ARG 164.A O no hydrogen 2.873 N/A TRP 169.A N ASN 165.A O no hydrogen 2.965 N/A LEU 170.A N GLU 166.A O no hydrogen 3.209 N/A GLU 171.A N VAL 167.A O no hydrogen 3.017 N/A GLU 172.A N GLY 168.A O no hydrogen 2.782 N/A ALA 173.A N TRP 169.A O no hydrogen 2.957 N/A ARG 174.A N LEU 170.A O no hydrogen 3.232 N/A ARG 174.A N GLU 171.A O no hydrogen 3.214 N/A ARG 175.A N GLU 172.A O no hydrogen 3.043 N/A THR 176.A N GLU 172.A O no hydrogen 2.953 N/A THR 176.A OG1 GLU 172.A O no hydrogen 3.112 N/A THR 176.A OG1 VAL 178.A O no hydrogen 3.525 N/A LYS 177.A N ALA 173.A O no hydrogen 2.726 N/A LYS 177.A NZ ARG 174.A O no hydrogen 3.026 N/A VAL 178.A N THR 176.A OG1 no hydrogen 3.126 N/A ARG 181.A NH1 PRO 213.A O no hydrogen 2.482 N/A ARG 181.A NH2 PRO 213.A O no hydrogen 3.300 N/A ARG 181.A NH2 MET 215.A O no hydrogen 2.985 N/A GLU 182.A N ASP 179.A OD1 no hydrogen 3.075 N/A TRP 183.A N ASP 179.A O no hydrogen 2.800 N/A MET 184.A N MET 180.A O no hydrogen 2.882 N/A ARG 185.A N ARG 181.A O no hydrogen 3.090 N/A ARG 185.A NE GLU 182.A OE1 no hydrogen 2.949 N/A ARG 185.A NH2 GLU 182.A OE1 no hydrogen 3.385 N/A ARG 185.A NH2 GLU 182.A OE2 no hydrogen 2.744 N/A ARG 186.A N GLU 182.A O no hydrogen 2.917 N/A ARG 186.A NE GLU 182.A OE2 no hydrogen 2.627 N/A ARG 186.A NH2 GLU 182.A OE2 no hydrogen 2.969 N/A SER 187.A N TRP 183.A O no hydrogen 2.962 N/A SER 187.A OG TRP 183.A O no hydrogen 2.759 N/A GLY 188.A N ARG 185.A O no hydrogen 3.140 N/A ALA 191.A N SER 187.A O no hydrogen 2.851 N/A GLN 192.A N GLY 188.A O no hydrogen 2.785 N/A GLN 192.A NE2 GLN 192.A O no hydrogen 3.363 N/A GLN 192.A NE2 ASP 196.A OD1 no hydrogen 2.904 N/A GLN 193.A N PRO 189.A O no hydrogen 2.935 N/A LEU 194.A N TYR 190.A O no hydrogen 2.964 N/A VAL 195.A N ALA 191.A O no hydrogen 2.914 N/A ASP 196.A N GLN 192.A O no hydrogen 2.846 N/A SER 197.A N GLN 193.A O no hydrogen 3.195 N/A SER 197.A N LEU 194.A O no hydrogen 3.263 N/A SER 197.A OG LEU 194.A O no hydrogen 2.539 N/A GLY 198.A N VAL 195.A O no hydrogen 2.966 N/A GLU 199.A N SER 197.A OG no hydrogen 3.131 N/A ALA 204.A N TYR 200.A O no hydrogen 2.848 N/A ARG 205.A N PRO 201.A O no hydrogen 3.044 N/A ARG 205.A NE GLU 209.A OE1 no hydrogen 3.255 N/A ARG 205.A NE GLU 209.A OE2 no hydrogen 3.526 N/A ARG 205.A NH2 GLU 209.A OE1 no hydrogen 3.318 N/A VAL 206.A N MET 202.A O no hydrogen 2.880 N/A LEU 207.A N PHE 203.A O no hydrogen 2.839 N/A ALA 208.A N ALA 204.A O no hydrogen 2.908 N/A GLU 209.A N VAL 206.A O no hydrogen 3.257 N/A THR 210.A N VAL 206.A O no hydrogen 2.968 N/A HIS 214.A N VAL 211.A O no hydrogen 2.880 N/A MET 215.A N ALA 212.A O no hydrogen 2.980 N/A ARG 220.A N GLY 216.A O no hydrogen 2.888 N/A ARG 220.A NE.A ALA 212.A O no hydrogen 3.033 N/A ARG 220.A NH2.A MET 215.A O no hydrogen 2.839 N/A PHE 221.A N PRO 217.A O no hydrogen 3.018 N/A ARG 222.A N ASP 218.A O no hydrogen 3.013 N/A SER 223.A N GLN 219.A O no hydrogen 2.915 N/A GLY 224.A N ARG 220.A O no hydrogen 3.004 N/A LEU 225.A N PHE 221.A O no hydrogen 2.858 N/A GLU 226.A N ARG 222.A O no hydrogen 2.853 N/A ARG 227.A N SER 223.A O no hydrogen 3.266 N/A LEU 228.A N GLY 224.A O no hydrogen 2.883 N/A LEU 229.A N LEU 225.A O no hydrogen 2.826 N/A ASP 230.A N GLU 226.A O no hydrogen 2.933 N/A SER 231.A N ARG 227.A O no hydrogen 3.139 N/A ILE 232.A N LEU 228.A O no hydrogen 2.960 N/A GLY 233.A N LEU 229.A O no hydrogen 2.867 N/A ALA 234.A N ASP 230.A O no hydrogen 2.977 N/A SER 235.A N SER 231.A O no hydrogen 3.043 N/A LEU 236.A N ILE 232.A O no hydrogen 2.881 N/A ASP 237.A N GLY 233.A O no hydrogen 3.111 N/A ARG 238.A N ALA 234.A O no hydrogen 3.201 N/A LEU 239.A N SER 235.A O no hydrogen 2.944 N/A SER 240.A N ASP 237.A O no hydrogen 3.128 N/A SER 240.A OG SER 240.A O no hydrogen 2.593 N/A