Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3m1a_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 3.A N ASP 27.A OD2 no hydrogen 2.744 N/A LYS 3.A NZ SER 1.A O no hydrogen 3.288 N/A VAL 4.A N ASP 78.A OD2 no hydrogen 2.819 N/A TRP 5.A N THR 28.A O no hydrogen 2.821 N/A LEU 6.A N VAL 79.A O no hydrogen 2.828 N/A VAL 7.A N ILE 30.A O no hydrogen 2.901 N/A THR 8.A N VAL 81.A O no hydrogen 3.135 N/A THR 8.A OG1 VAL 81.A O no hydrogen 3.334 N/A ALA 10.A N THR 32.A O no hydrogen 2.996 N/A GLY 13.A N PHE 185.A O no hydrogen 2.697 N/A ARG 16.A N SER 12.A O no hydrogen 3.410 N/A ARG 16.A N GLY 13.A O no hydrogen 2.983 N/A ARG 16.A NE ASP 41.A OD1 no hydrogen 3.370 N/A ARG 16.A NH1 ARG 16.A O no hydrogen 3.360 N/A ARG 16.A NH1 GLU 20.A OE2 no hydrogen 2.479 N/A ARG 16.A NH2 ASP 41.A OD1 no hydrogen 3.006 N/A ALA 17.A N GLY 13.A O no hydrogen 3.228 N/A ILE 18.A N PHE 14.A O no hydrogen 3.005 N/A ALA 19.A N GLY 15.A O no hydrogen 2.930 N/A GLU 20.A N ARG 16.A O no hydrogen 2.808 N/A ALA 21.A N ALA 17.A O no hydrogen 2.996 N/A ALA 22.A N ILE 18.A O no hydrogen 3.181 N/A VAL 23.A N ALA 19.A O no hydrogen 3.088 N/A ALA 24.A N GLU 20.A O no hydrogen 2.831 N/A ALA 25.A N ALA 21.A O no hydrogen 3.059 N/A ALA 25.A N ALA 22.A O no hydrogen 3.198 N/A GLY 26.A N VAL 23.A O no hydrogen 3.097 N/A ASP 27.A N ALA 22.A O no hydrogen 2.989 N/A THR 28.A N LYS 3.A O no hydrogen 2.884 N/A VAL 29.A N ARG 49.A O no hydrogen 2.797 N/A ILE 30.A N TRP 5.A O no hydrogen 2.801 N/A GLY 31.A N GLU 51.A O no hydrogen 2.918 N/A THR 32.A N VAL 7.A O no hydrogen 2.880 N/A ALA 33.A N ILE 53.A O no hydrogen 3.221 N/A THR 36.A OG1 GLU 37.A OE2 no hydrogen 3.512 N/A GLU 37.A N GLU 37.A OE2 no hydrogen 2.778 N/A ALA 38.A N ARG 35.A O no hydrogen 3.053 N/A LEU 39.A N THR 36.A O no hydrogen 2.965 N/A ASP 40.A N GLU 37.A O no hydrogen 3.184 N/A LEU 42.A N LEU 39.A O no hydrogen 3.066 N/A VAL 43.A N LEU 39.A O no hydrogen 3.200 N/A ALA 44.A N ASP 40.A O no hydrogen 2.832 N/A ALA 45.A N ASP 41.A O no hydrogen 3.070 N/A TYR 46.A N LEU 42.A O no hydrogen 2.999 N/A TYR 46.A N VAL 43.A O no hydrogen 3.237 N/A TYR 46.A OH GLU 20.A OE1 no hydrogen 3.151 N/A ARG 49.A N TYR 46.A O no hydrogen 3.262 N/A ARG 49.A NE VAL 23.A O no hydrogen 3.299 N/A ARG 49.A NH1 VAL 23.A O no hydrogen 2.990 N/A ALA 50.A N TYR 46.A O no hydrogen 3.043 N/A GLU 51.A N VAL 29.A O no hydrogen 2.961 N/A ILE 53.A N GLY 31.A O no hydrogen 3.006 N/A SER 54.A OG ARG 34.A O no hydrogen 2.848 N/A LEU 55.A N ALA 33.A O no hydrogen 2.778 N/A THR 58.A N ASP 56.A OD1 no hydrogen 2.950 N/A THR 58.A OG1 ASP 56.A OD1 no hydrogen 2.664 N/A THR 58.A OG1 ASP 56.A OD2 no hydrogen 3.260 N/A ASP 59.A N ASP 56.A O no hydrogen 2.792 N/A ARG 62.A N ASP 59.A OD1 no hydrogen 3.131 N/A ARG 62.A NE SER 54.A O no hydrogen 2.924 N/A ARG 62.A NH2 SER 54.A O no hydrogen 2.870 N/A ILE 63.A N ASP 59.A O no hydrogen 3.039 N/A ASP 64.A N GLY 60.A O no hydrogen 3.200 N/A VAL 65.A N GLU 61.A O no hydrogen 3.189 N/A VAL 66.A N ARG 62.A O no hydrogen 2.924 N/A ALA 67.A N ILE 63.A O no hydrogen 2.980 N/A ALA 68.A N ASP 64.A O no hydrogen 2.993 N/A ASP 69.A N VAL 65.A O no hydrogen 2.884 N/A VAL 70.A N VAL 66.A O no hydrogen 2.904 N/A LEU 71.A N ALA 67.A O no hydrogen 3.061 N/A ALA 72.A N ALA 68.A O no hydrogen 2.760 N/A ARG 73.A N ASP 69.A O no hydrogen 3.071 N/A ARG 73.A N VAL 70.A O no hydrogen 3.333 N/A ARG 73.A NE ASP 69.A OD1 no hydrogen 3.096 N/A ARG 73.A NE ASP 69.A OD2 no hydrogen 3.288 N/A ARG 73.A NH1 GLU 51.A OE1 no hydrogen 2.939 N/A ARG 73.A NH1 GLU 51.A OE2 no hydrogen 3.448 N/A ARG 73.A NH1 ASP 69.A OD2 no hydrogen 2.835 N/A ARG 73.A NH2 GLU 51.A OE2 no hydrogen 2.931 N/A TYR 74.A N VAL 70.A O no hydrogen 2.800 N/A TYR 74.A OH GLU 51.A OE2 no hydrogen 2.455 N/A GLY 75.A N LEU 71.A O no hydrogen 2.759 N/A ARG 76.A NE ASP 78.A OD2 no hydrogen 2.769 N/A ARG 76.A NH2 ALA 2.A O no hydrogen 2.838 N/A VAL 77.A N GLN 121.A OE1 no hydrogen 3.090 N/A ASP 78.A N VAL 4.A O no hydrogen 2.796 N/A VAL 79.A N VAL 4.A O no hydrogen 2.991 N/A LEU 80.A N SER 128.A O no hydrogen 2.890 N/A VAL 81.A N LEU 6.A O no hydrogen 2.821 N/A ASN 82.A N VAL 130.A O no hydrogen 2.942 N/A ASN 83.A N THR 8.A OG1 no hydrogen 2.818 N/A ASN 83.A ND2 THR 8.A O no hydrogen 3.433 N/A ASN 83.A ND2 GLY 9.A O no hydrogen 2.973 N/A ALA 84.A N THR 8.A OG1 no hydrogen 2.922 N/A ARG 86.A N HIS 107.A NE2 no hydrogen 3.194 N/A ARG 86.A NE GLN 88.A OE1 no hydrogen 2.965 N/A ARG 86.A NH2 GLN 88.A OE1 no hydrogen 2.845 N/A THR 87.A N ALA 189.A O no hydrogen 3.012 N/A GLN 88.A NE2 GLU 99.A O no hydrogen 3.641 N/A VAL 89.A N TYR 191.A O no hydrogen 2.975 N/A GLY 90.A N GLY 143.A O no hydrogen 2.939 N/A GLU 94.A N ALA 91.A O no hydrogen 3.066 N/A THR 95.A N ALA 91.A O no hydrogen 3.090 N/A THR 95.A N PHE 92.A O no hydrogen 3.342 N/A THR 95.A OG1 ALA 91.A O no hydrogen 2.951 N/A THR 96.A N GLU 99.A OE1 no hydrogen 3.023 N/A ARG 98.A NE ASP 102.A OD1 no hydrogen 2.719 N/A ARG 98.A NE ASP 102.A OD2 no hydrogen 3.074 N/A ARG 98.A NH2 ASP 102.A OD1 no hydrogen 2.076 N/A GLU 99.A N THR 96.A OG1 no hydrogen 3.036 N/A LEU 100.A N THR 96.A O no hydrogen 2.982 N/A ARG 101.A N GLU 97.A O no hydrogen 2.778 N/A ARG 101.A NE GLU 97.A OE1 no hydrogen 3.099 N/A ARG 101.A NH2 GLU 97.A OE1 no hydrogen 3.292 N/A ASP 102.A N ARG 98.A O no hydrogen 2.983 N/A LEU 103.A N GLU 99.A O no hydrogen 3.247 N/A PHE 104.A N LEU 100.A O no hydrogen 3.095 N/A GLU 105.A N ARG 101.A O no hydrogen 2.937 N/A LEU 106.A N ASP 102.A O no hydrogen 3.145 N/A HIS 107.A N LEU 103.A O no hydrogen 2.973 N/A HIS 107.A ND1 THR 150.A OG1 no hydrogen 2.847 N/A VAL 108.A N PHE 104.A O no hydrogen 2.850 N/A PHE 109.A N PHE 104.A O no hydrogen 2.963 N/A GLY 110.A N GLU 105.A O no hydrogen 2.940 N/A ALA 112.A N VAL 108.A O no hydrogen 2.912 N/A ARG 113.A N PHE 109.A O no hydrogen 3.018 N/A ARG 113.A NE ASP 64.A OD1 no hydrogen 3.135 N/A ARG 113.A NH1 ASP 64.A OD2 no hydrogen 2.787 N/A LEU 114.A N GLY 110.A O no hydrogen 2.966 N/A THR 115.A N PRO 111.A O no hydrogen 2.978 N/A THR 115.A OG1 PRO 111.A O no hydrogen 2.712 N/A ARG 116.A N ALA 112.A O no hydrogen 3.017 N/A ALA 117.A N ARG 113.A O no hydrogen 3.029 N/A LEU 118.A N THR 115.A O no hydrogen 3.139 N/A LEU 119.A N THR 115.A O no hydrogen 2.970 N/A GLN 121.A NE2 VAL 77.A O no hydrogen 2.919 N/A GLN 121.A NE2 LEU 118.A O no hydrogen 2.780 N/A GLU 123.A N PRO 120.A O no hydrogen 2.844 N/A ARG 124.A N GLN 121.A O no hydrogen 3.089 N/A ARG 124.A NE SER 126.A O no hydrogen 3.084 N/A ARG 124.A NE SER 126.A OG no hydrogen 3.085 N/A ARG 124.A NH1 VAL 77.A O no hydrogen 2.899 N/A ARG 124.A NH1 GLN 121.A OE1 no hydrogen 3.470 N/A ARG 124.A NH1 SER 126.A O no hydrogen 2.996 N/A ARG 124.A NH2 GLN 121.A OE1 no hydrogen 2.946 N/A SER 128.A N ASP 78.A O no hydrogen 2.854 N/A VAL 129.A N LYS 171.A O no hydrogen 2.795 N/A VAL 130.A N LEU 80.A O no hydrogen 2.697 N/A ASN 131.A N LEU 173.A O no hydrogen 2.787 N/A ASN 131.A ND2 ASN 82.A OD1 no hydrogen 3.035 N/A ILE 132.A N ASN 82.A O no hydrogen 3.026 N/A SER 133.A N VAL 175.A O no hydrogen 2.774 N/A SER 133.A OG SER 134.A O no hydrogen 3.479 N/A SER 133.A OG GLU 155.A OE2 no hydrogen 2.795 N/A GLY 136.A N SER 134.A OG no hydrogen 2.805 N/A GLY 137.A N SER 134.A O no hydrogen 3.020 N/A GLN 138.A N PHE 135.A O no hydrogen 3.084 N/A SER 140.A OG PHE 141.A O no hydrogen 3.486 N/A SER 140.A OG SER 148.A OG no hydrogen 3.039 N/A PHE 144.A N PHE 141.A O no hydrogen 3.029 N/A SER 148.A N PHE 144.A O no hydrogen 2.869 N/A SER 148.A OG GLY 136.A O no hydrogen 3.372 N/A SER 148.A OG LEU 139.A O no hydrogen 2.843 N/A SER 148.A OG SER 140.A OG no hydrogen 3.039 N/A SER 148.A OG PHE 144.A O no hydrogen 3.099 N/A ALA 149.A N SER 145.A O no hydrogen 2.925 N/A THR 150.A N ALA 146.A O no hydrogen 3.066 N/A THR 150.A OG1 HIS 107.A ND1 no hydrogen 2.847 N/A THR 150.A OG1 TYR 147.A O no hydrogen 2.958 N/A LYS 151.A N TYR 147.A O no hydrogen 3.048 N/A LYS 151.A NZ ILE 132.A O no hydrogen 2.662 N/A ALA 152.A N SER 148.A O no hydrogen 2.828 N/A ALA 153.A N ALA 149.A O no hydrogen 3.147 N/A LEU 154.A N THR 150.A O no hydrogen 3.083 N/A GLU 155.A N LYS 151.A O no hydrogen 2.839 N/A GLN 156.A N ALA 152.A O no hydrogen 2.978 N/A LEU 157.A N ALA 153.A O no hydrogen 2.977 N/A SER 158.A N LEU 154.A O no hydrogen 2.955 N/A SER 158.A OG ASN 131.A OD1 no hydrogen 2.805 N/A SER 158.A OG LEU 154.A O no hydrogen 2.611 N/A GLU 159.A N GLU 155.A O no hydrogen 2.732 N/A GLY 160.A N GLN 156.A O no hydrogen 3.013 N/A LEU 161.A N LEU 157.A O no hydrogen 2.858 N/A ALA 162.A N SER 158.A O no hydrogen 2.780 N/A ASP 163.A N GLU 159.A O no hydrogen 3.393 N/A GLU 164.A N GLY 160.A O no hydrogen 3.335 N/A GLU 164.A N LEU 161.A O no hydrogen 2.875 N/A VAL 165.A N LEU 161.A O no hydrogen 3.037 N/A ALA 166.A N ALA 162.A O no hydrogen 3.193 N/A PHE 168.A N VAL 165.A O no hydrogen 2.882 N/A GLY 169.A N ALA 166.A O no hydrogen 3.072 N/A ILE 170.A N VAL 165.A O no hydrogen 3.344 N/A LYS 171.A N GLY 127.A O no hydrogen 2.784 N/A LYS 171.A NZ THR 229.A O no hydrogen 3.118 N/A LYS 171.A NZ THR 232.A OG1 no hydrogen 3.005 N/A LEU 173.A N VAL 129.A O no hydrogen 2.837 N/A ILE 174.A N LEU 234.A O no hydrogen 2.763 N/A VAL 175.A N ASN 131.A O no hydrogen 2.928 N/A GLU 176.A N LEU 236.A O no hydrogen 2.853 N/A GLY 178.A N LEU 238.A O no hydrogen 2.871 N/A ALA 179.A N ASP 241.A OD2 no hydrogen 2.870 N/A ARG 181.A N GLY 214.A O no hydrogen 2.781 N/A TYR 191.A N THR 87.A O no hydrogen 2.984 N/A TYR 191.A OH GLU 99.A OE2 no hydrogen 3.422 N/A SER 193.A N VAL 89.A O no hydrogen 2.775 N/A TYR 199.A N ASN 196.A O no hydrogen 2.820 N/A TYR 199.A OH GLU 93.A OE1 no hydrogen 2.608 N/A ALA 200.A N ASN 196.A O no hydrogen 2.864 N/A VAL 203.A N TYR 199.A O no hydrogen 2.904 N/A GLY 204.A N ALA 200.A O no hydrogen 2.800 N/A THR 206.A N VAL 203.A O no hydrogen 2.986 N/A THR 206.A OG1 ALA 142.A O no hydrogen 2.540 N/A ARG 207.A N VAL 203.A O no hydrogen 3.102 N/A ARG 207.A NE GLU 195.A OE1 no hydrogen 2.530 N/A ARG 207.A NH1 GLU 195.A OE1 no hydrogen 2.993 N/A ARG 207.A NH1 GLU 195.A OE2 no hydrogen 3.064 N/A GLN 208.A N GLY 204.A O no hydrogen 3.189 N/A LEU 209.A N PRO 205.A O no hydrogen 3.125 N/A VAL 210.A N THR 206.A O no hydrogen 3.122 N/A GLN 211.A N ARG 207.A O no hydrogen 3.014 N/A GLY 212.A N GLN 208.A O no hydrogen 2.950 N/A LYS 218.A N ASP 215.A OD2 no hydrogen 3.383 N/A ALA 219.A N ASP 215.A O no hydrogen 2.939 N/A ALA 220.A N PRO 216.A O no hydrogen 2.901 N/A ALA 221.A N ALA 217.A O no hydrogen 3.033 N/A ALA 222.A N LYS 218.A O no hydrogen 3.003 N/A ILE 223.A N ALA 219.A O no hydrogen 3.101 N/A ARG 224.A N ALA 220.A O no hydrogen 3.190 N/A ARG 224.A NH1 ASP 27.A OD1 no hydrogen 3.167 N/A ARG 224.A NH2 ASP 27.A OD1 no hydrogen 2.799 N/A LEU 225.A N ALA 221.A O no hydrogen 2.898 N/A ALA 226.A N ALA 222.A O no hydrogen 2.887 N/A LEU 227.A N ILE 223.A O no hydrogen 3.032 N/A ASP 228.A N ARG 224.A O no hydrogen 2.899 N/A THR 229.A OG1 LEU 225.A O no hydrogen 2.675 N/A THR 232.A OG1 ALA 226.A O no hydrogen 2.835 N/A THR 232.A OG1 THR 229.A O no hydrogen 3.120 N/A ARG 235.A NE GLU 155.A OE1 no hydrogen 2.868 N/A ARG 235.A NE GLU 176.A OE2 no hydrogen 3.326 N/A ARG 235.A NH1 GLU 159.A OE2 no hydrogen 2.936 N/A ARG 235.A NH2 GLU 155.A OE1 no hydrogen 3.014 N/A ARG 235.A NH2 GLU 159.A OE2 no hydrogen 2.462 N/A LEU 236.A N ILE 174.A O no hydrogen 2.778 N/A LEU 238.A N GLU 176.A O no hydrogen 3.017 N/A ALA 242.A N ASP 241.A OD1 no hydrogen 2.764 N/A VAL 243.A N GLY 239.A O no hydrogen 3.122 N/A ASP 244.A N GLY 240.A O no hydrogen 2.930 N/A PHE 245.A N ASP 241.A O no hydrogen 2.998 N/A LEU 246.A N ALA 242.A O no hydrogen 2.933 N/A THR 247.A N VAL 243.A O no hydrogen 2.891 N/A THR 247.A OG1.A VAL 243.A O no hydrogen 2.681 N/A THR 247.A OG1.B VAL 243.A O no hydrogen 3.236 N/A THR 247.A OG1.B ASP 244.A O no hydrogen 3.037 N/A GLY 248.A N ASP 244.A O no hydrogen 2.938 N/A HIS 249.A N PHE 245.A O no hydrogen 3.069 N/A LEU 250.A N LEU 246.A O no hydrogen 2.978 N/A ASP 251.A N THR 247.A O no hydrogen 2.948 N/A SER 252.A N GLY 248.A O no hydrogen 3.037 N/A SER 252.A OG.B GLY 248.A O no hydrogen 3.506 N/A SER 252.A OG.B HIS 249.A O no hydrogen 3.124 N/A VAL 253.A N HIS 249.A O no hydrogen 2.841 N/A ARG 254.A N LEU 250.A O no hydrogen 2.941 N/A ALA 255.A N ASP 251.A O no hydrogen 2.919 N/A GLU 256.A N SER 252.A O no hydrogen 3.074 N/A LEU 257.A N VAL 253.A O no hydrogen 2.969 N/A THR 258.A N ARG 254.A O no hydrogen 3.085 N/A THR 258.A OG1 ARG 254.A O no hydrogen 3.108 N/A GLU 259.A N ALA 255.A O no hydrogen 2.948 N/A TRP 260.A N GLU 256.A O no hydrogen 3.222 N/A GLU 261.A N THR 258.A O no hydrogen 3.175 N/A SER 264.A N TRP 260.A O no hydrogen 2.892 N/A SER 264.A OG TRP 260.A O no hydrogen 3.155 N/A ARG 265.A N GLU 261.A O no hydrogen 2.805 N/A ARG 265.A NE GLU 261.A OE2 no hydrogen 2.615 N/A ARG 265.A NH1 GLU 261.A OE2 no hydrogen 3.204 N/A GLY 266.A N VAL 263.A O no hydrogen 3.117 N/A THR 267.A OG1 SER 264.A O no hydrogen 3.341 N/A