Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4c3q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A N GLN 5.A OE1 no hydrogen 3.000 N/A GLN 4.A NE2 LEU 32.A O no hydrogen 2.888 N/A GLN 6.A N SER 2.A O no hydrogen 2.889 N/A GLN 6.A NE2 ASN 1.A O no hydrogen 3.335 N/A LEU 7.A N VAL 3.A O no hydrogen 2.974 N/A GLU 8.A N GLN 4.A O no hydrogen 3.156 N/A ALA 9.A N GLN 5.A O no hydrogen 2.927 N/A LEU 10.A N GLN 6.A O no hydrogen 2.946 N/A GLU 11.A N LEU 7.A O no hydrogen 2.934 N/A LYS 12.A N GLU 8.A O no hydrogen 3.097 N/A SER 13.A N ALA 9.A O no hydrogen 3.490 N/A SER 14.A N GLU 11.A O no hydrogen 3.211 N/A SER 14.A OG LEU 10.A O no hydrogen 3.318 N/A SER 14.A OG GLU 11.A O no hydrogen 2.296 N/A ARG 17.A N THR 237.A O no hydrogen 2.728 N/A ARG 17.A NH1 GLU 37.A OE1 no hydrogen 3.322 N/A ARG 17.A NH1 ARG 38.A O no hydrogen 3.133 N/A ARG 17.A NH2 ARG 38.A O no hydrogen 3.052 N/A LEU 18.A N GLU 11.A OE2 no hydrogen 2.726 N/A GLY 19.A N TYR 235.A O no hydrogen 2.733 N/A VAL 20.A N TYR 33.A O no hydrogen 2.779 N/A ALA 21.A N VAL 233.A O no hydrogen 3.065 N/A LEU 22.A N ILE 31.A O no hydrogen 2.917 N/A ILE 23.A N VAL 231.A O no hydrogen 2.762 N/A ASN 24.A N SER 29.A O no hydrogen 3.072 N/A THR 25.A N PRO 229.A O no hydrogen 3.378 N/A THR 25.A OG1 PRO 229.A O no hydrogen 2.755 N/A ALA 26.A N ASN 24.A OD1 no hydrogen 3.031 N/A ASP 27.A N ASN 24.A O no hydrogen 3.365 N/A SER 29.A N ASP 27.A OD1 no hydrogen 3.036 N/A SER 29.A OG ASP 27.A OD1 no hydrogen 2.720 N/A ILE 31.A N LEU 22.A O no hydrogen 3.113 N/A TYR 33.A N VAL 20.A O no hydrogen 2.827 N/A TYR 33.A OH GLU 11.A OE1 no hydrogen 2.413 N/A ARG 34.A NE GLU 11.A OE1 no hydrogen 3.431 N/A ARG 34.A NE GLU 11.A OE2 no hydrogen 2.791 N/A ARG 34.A NH1 GLU 37.A OE2 no hydrogen 2.911 N/A ARG 34.A NH2 GLU 11.A OE1 no hydrogen 3.228 N/A GLU 37.A N ARG 34.A O no hydrogen 3.303 N/A ARG 38.A NH1 THR 132.A O no hydrogen 3.063 N/A ARG 38.A NH2 THR 132.A O no hydrogen 3.063 N/A ARG 38.A NH2 THR 153.A OG1 no hydrogen 3.174 N/A PHE 39.A N THR 154.A O no hydrogen 2.825 N/A MET 41.A N ASP 152.A O no hydrogen 3.041 N/A CYS 42.A SG ALA 40.A O no hydrogen 3.733 N/A SER 43.A OG SER 103.A OG no hydrogen 3.270 N/A THR 44.A N MET 41.A O no hydrogen 3.204 N/A THR 44.A OG1 MET 41.A O no hydrogen 2.377 N/A SER 45.A N CYS 42.A O no hydrogen 3.375 N/A SER 45.A OG CYS 42.A O no hydrogen 2.610 N/A LYS 46.A N SER 43.A O no hydrogen 2.948 N/A LYS 46.A NZ SER 43.A OG no hydrogen 2.978 N/A LYS 46.A NZ SER 103.A O no hydrogen 2.990 N/A LYS 46.A NZ SER 103.A OG no hydrogen 2.830 N/A LYS 46.A NZ ASN 105.A OD1 no hydrogen 2.684 N/A VAL 47.A N THR 44.A O no hydrogen 3.460 N/A MET 48.A N SER 45.A O no hydrogen 3.131 N/A ALA 49.A N SER 45.A O no hydrogen 3.508 N/A ALA 50.A N LYS 46.A O no hydrogen 3.298 N/A ALA 51.A N VAL 47.A O no hydrogen 3.056 N/A ALA 52.A N MET 48.A O no hydrogen 3.016 N/A VAL 53.A N ALA 49.A O no hydrogen 3.354 N/A LEU 54.A N ALA 50.A O no hydrogen 2.965 N/A LYS 55.A N ALA 51.A O no hydrogen 2.892 N/A LYS 55.A NZ GLU 58.A OE1 no hydrogen 3.317 N/A LYS 55.A NZ GLU 58.A OE2 no hydrogen 3.055 N/A LYS 55.A NZ ALA 171.A O no hydrogen 2.792 N/A GLN 56.A N ALA 52.A O no hydrogen 3.015 N/A SER 57.A N VAL 53.A O no hydrogen 3.015 N/A SER 57.A OG VAL 53.A O no hydrogen 3.365 N/A SER 57.A OG LEU 54.A O no hydrogen 2.277 N/A GLU 58.A N LYS 55.A O no hydrogen 3.094 N/A SER 59.A N GLN 56.A O no hydrogen 3.228 N/A HIS 62.A N ASP 60.A OD1 no hydrogen 3.264 N/A LEU 63.A N ASP 60.A O no hydrogen 3.193 N/A GLN 66.A N LEU 63.A O no hydrogen 2.742 N/A VAL 68.A N MET 90.A O no hydrogen 2.707 N/A ILE 70.A N GLY 88.A O no hydrogen 3.183 N/A LYS 71.A N ASP 74.A OD2 no hydrogen 2.681 N/A SER 73.A OG ASP 74.A OD1 no hydrogen 3.494 N/A ASP 74.A N LYS 71.A O no hydrogen 2.991 N/A LEU 75.A N LYS 72.A O no hydrogen 3.017 N/A TYR 78.A OH TYR 102.A O no hydrogen 3.170 N/A ASN 79.A ND2 VAL 76.A O no hydrogen 2.856 N/A ILE 81.A N ASP 104.A OD2 no hydrogen 3.046 N/A ALA 82.A N ASP 104.A OD2 no hydrogen 2.968 N/A GLU 83.A N ASN 79.A O no hydrogen 2.887 N/A LYS 84.A N ILE 81.A O no hydrogen 3.127 N/A HIS 85.A N ALA 82.A O no hydrogen 3.068 N/A ASN 87.A N ILE 70.A O no hydrogen 2.758 N/A GLY 88.A N HIS 85.A O no hydrogen 2.922 N/A MET 90.A N VAL 68.A O no hydrogen 2.908 N/A THR 91.A N GLU 94.A OE1 no hydrogen 3.113 N/A LEU 92.A N GLN 66.A O no hydrogen 3.215 N/A ALA 93.A N LEU 64.A O no hydrogen 3.060 N/A GLU 94.A N THR 91.A OG1 no hydrogen 3.329 N/A LEU 95.A N THR 91.A O no hydrogen 2.926 N/A GLY 96.A N LEU 92.A O no hydrogen 2.701 N/A ALA 97.A N ALA 93.A O no hydrogen 2.866 N/A ALA 98.A N GLU 94.A O no hydrogen 2.959 N/A ALA 99.A N LEU 95.A O no hydrogen 2.959 N/A GLN 101.A N ALA 97.A O no hydrogen 2.831 N/A GLN 101.A NE2 TRP 183.A O no hydrogen 3.097 N/A TYR 102.A N ALA 98.A O no hydrogen 3.206 N/A ASP 104.A N ALA 98.A O no hydrogen 3.148 N/A ASN 105.A N TYR 78.A O no hydrogen 3.352 N/A ASN 105.A ND2 ASN 77.A O no hydrogen 3.373 N/A ASN 105.A ND2 ASN 77.A OD1 no hydrogen 3.500 N/A THR 106.A OG1 ASN 79.A OD1 no hydrogen 2.187 N/A ALA 107.A N ASP 104.A OD1 no hydrogen 2.800 N/A MET 108.A N ASP 104.A O no hydrogen 3.282 N/A ASN 109.A N ASN 105.A O no hydrogen 3.134 N/A ASN 109.A ND2 GLU 139.A O no hydrogen 3.060 N/A LYS 110.A N THR 106.A O no hydrogen 2.999 N/A LYS 110.A NZ GLU 69.A O no hydrogen 3.417 N/A LYS 110.A NZ ASP 74.A OD2 no hydrogen 3.145 N/A LEU 111.A N ALA 107.A O no hydrogen 3.046 N/A ILE 112.A N MET 108.A O no hydrogen 2.969 N/A ALA 113.A N ASN 109.A O no hydrogen 2.845 N/A HIS 114.A N LYS 110.A O no hydrogen 3.020 N/A HIS 114.A NE2 GLN 56.A OE1 no hydrogen 2.716 N/A LEU 115.A N LEU 111.A O no hydrogen 3.076 N/A GLY 116.A N ILE 112.A O no hydrogen 3.054 N/A GLY 117.A N ILE 112.A O no hydrogen 2.871 N/A LYS 120.A N GLY 117.A O no hydrogen 2.909 N/A LYS 120.A NZ ASP 119.A OD2 no hydrogen 3.007 N/A VAL 121.A N PRO 118.A O no hydrogen 3.131 N/A THR 122.A N PRO 118.A O no hydrogen 3.169 N/A THR 122.A OG1 PRO 118.A O no hydrogen 3.221 N/A ALA 123.A N ASP 119.A O no hydrogen 2.990 N/A PHE 124.A N LYS 120.A O no hydrogen 3.020 N/A ALA 125.A N VAL 121.A O no hydrogen 3.071 N/A ARG 126.A N THR 122.A O no hydrogen 3.064 N/A ARG 126.A NH1 PHE 133.A O no hydrogen 2.984 N/A ARG 126.A NH2 ASP 130.A O no hydrogen 2.851 N/A ARG 126.A NH2 PHE 133.A O no hydrogen 2.717 N/A SER 127.A N ALA 123.A O no hydrogen 3.146 N/A SER 127.A OG PHE 124.A O no hydrogen 2.330 N/A LEU 128.A N ALA 125.A O no hydrogen 3.029 N/A GLY 129.A N ARG 126.A O no hydrogen 2.894 N/A ASP 130.A N ALA 125.A O no hydrogen 3.171 N/A THR 132.A N ASP 130.A OD1 no hydrogen 3.021 N/A PHE 133.A N ASP 130.A OD1 no hydrogen 2.991 N/A ARG 134.A N THR 153.A O no hydrogen 3.305 N/A ARG 134.A NE ASP 136.A OD1 no hydrogen 3.036 N/A ARG 134.A NH1 ASP 136.A OD2 no hydrogen 3.038 N/A LEU 135.A N THR 122.A OG1 no hydrogen 3.299 N/A ASP 136.A N ASP 152.A OD1 no hydrogen 2.755 N/A ARG 137.A N ASP 152.A OD1 no hydrogen 3.010 N/A ARG 137.A NE ASP 152.A OD2 no hydrogen 2.852 N/A ARG 137.A NH1 THR 144.A OG1 no hydrogen 3.241 N/A ARG 137.A NH1 ASP 152.A OD2 no hydrogen 2.713 N/A ARG 137.A NH2 THR 144.A OG1 no hydrogen 3.135 N/A GLU 139.A N ASN 109.A OD1 no hydrogen 2.852 N/A THR 141.A OG1 THR 138.A O no hydrogen 3.391 N/A LEU 142.A N THR 138.A O no hydrogen 3.069 N/A ASN 143.A N PRO 140.A O no hydrogen 3.046 N/A ASN 143.A ND2 GLU 139.A OE1 no hydrogen 2.878 N/A ASN 143.A ND2 PRO 140.A O no hydrogen 2.984 N/A THR 144.A N THR 141.A O no hydrogen 3.347 N/A THR 144.A OG1 THR 141.A O no hydrogen 3.499 N/A ASP 149.A N ILE 146.A O no hydrogen 3.076 N/A ARG 151.A N ASP 149.A OD1 no hydrogen 3.045 N/A ARG 151.A NE ASP 149.A OD1 no hydrogen 3.094 N/A ARG 151.A NE ASP 149.A OD2 no hydrogen 3.204 N/A ARG 151.A NH1 ASP 149.A OD2 no hydrogen 2.687 N/A ASP 152.A N ASP 136.A OD1 no hydrogen 3.146 N/A THR 153.A OG1 PRO 150.A O no hydrogen 2.539 N/A THR 154.A N PHE 39.A O no hydrogen 3.059 N/A LEU 157.A N ALA 35.A O no hydrogen 3.121 N/A ALA 158.A N THR 155.A OG1 no hydrogen 3.401 N/A MET 159.A N THR 155.A O no hydrogen 3.007 N/A ALA 160.A N PRO 156.A O no hydrogen 2.913 N/A GLN 161.A N LEU 157.A O no hydrogen 2.800 N/A THR 162.A N ALA 158.A O no hydrogen 3.011 N/A THR 162.A OG1 ASP 130.A OD2 no hydrogen 2.294 N/A THR 162.A OG1 ALA 158.A O no hydrogen 2.879 N/A LEU 163.A N MET 159.A O no hydrogen 2.958 N/A LYS 164.A N ALA 160.A O no hydrogen 2.986 N/A ASN 165.A N GLN 161.A O no hydrogen 3.135 N/A LEU 166.A N THR 162.A O no hydrogen 2.781 N/A THR 167.A N LEU 163.A O no hydrogen 2.985 N/A THR 167.A OG1 LEU 163.A O no hydrogen 2.808 N/A LEU 168.A N LYS 164.A O no hydrogen 2.811 N/A GLY 169.A N ASN 165.A O no hydrogen 3.227 N/A ALA 171.A N ASN 165.A O no hydrogen 3.177 N/A ALA 173.A N GLU 58.A OE2 no hydrogen 2.916 N/A ARG 177.A N ALA 173.A O no hydrogen 2.700 N/A ARG 177.A NE GLU 174.A OE1 no hydrogen 3.332 N/A ARG 177.A NE GLU 174.A OE2 no hydrogen 3.165 N/A ARG 177.A NH1 GLU 174.A OE2 no hydrogen 2.757 N/A ARG 177.A NH2 THR 167.A O no hydrogen 2.675 N/A ALA 178.A N GLU 174.A O no hydrogen 2.828 N/A GLN 179.A N THR 175.A O no hydrogen 3.220 N/A GLN 179.A NE2 GLN 179.A O no hydrogen 2.971 N/A LEU 180.A N GLN 176.A O no hydrogen 3.147 N/A VAL 181.A N ARG 177.A O no hydrogen 3.160 N/A THR 182.A N ALA 178.A O no hydrogen 2.983 N/A THR 182.A OG1 ALA 178.A O no hydrogen 2.976 N/A TRP 183.A N GLN 179.A O no hydrogen 2.824 N/A LEU 184.A N LEU 180.A O no hydrogen 2.917 N/A LYS 185.A N VAL 181.A O no hydrogen 2.852 N/A GLY 186.A N THR 182.A O no hydrogen 3.224 N/A ASN 187.A N LEU 184.A O no hydrogen 3.160 N/A ASN 187.A ND2 THR 189.A OG1 no hydrogen 3.202 N/A ASN 187.A ND2 ASP 206.A OD1 no hydrogen 3.224 N/A THR 188.A N GLN 101.A O no hydrogen 3.084 N/A THR 188.A OG1 GLN 101.A O no hydrogen 2.510 N/A THR 189.A OG1 ASN 187.A OD1 no hydrogen 3.059 N/A THR 189.A OG1 THR 208.A OG1 no hydrogen 2.513 N/A SER 193.A N GLY 190.A O no hydrogen 3.369 N/A ILE 194.A N ASP 218.A OD2 no hydrogen 3.253 N/A ARG 195.A NE ASP 206.A OD1 no hydrogen 2.569 N/A ARG 195.A NH1 ASP 206.A OD1 no hydrogen 2.679 N/A ALA 196.A N SER 193.A O no hydrogen 2.940 N/A GLY 197.A N ILE 194.A O no hydrogen 2.954 N/A LEU 198.A N ARG 195.A O no hydrogen 3.322 N/A TRP 202.A N PRO 199.A O no hydrogen 3.290 N/A VAL 203.A N TRP 223.A O no hydrogen 3.409 N/A GLY 205.A N VAL 221.A O no hydrogen 3.013 N/A ASP 206.A N LEU 184.A O no hydrogen 3.203 N/A LYS 207.A N ILE 219.A O no hydrogen 2.978 N/A LYS 207.A NZ THR 208.A O no hydrogen 2.668 N/A THR 208.A OG1 THR 189.A OG1 no hydrogen 2.513 N/A GLY 209.A N ASN 217.A O no hydrogen 2.973 N/A GLY 211.A N THR 215.A O no hydrogen 2.992 N/A ASP 212.A N ASN 143.A O no hydrogen 3.071 N/A TYR 213.A N GLN 241.A O no hydrogen 2.893 N/A THR 215.A N ASP 212.A O no hydrogen 2.914 N/A THR 215.A OG1 ASP 212.A O no hydrogen 2.614 N/A THR 215.A OG1 THR 237.A OG1 no hydrogen 3.037 N/A THR 216.A N PHE 236.A O no hydrogen 2.691 N/A THR 216.A OG1 GLY 214.A O no hydrogen 2.692 N/A ASN 217.A N GLY 209.A O no hydrogen 2.582 N/A ASN 217.A ND2 ALA 40.A O no hydrogen 2.723 N/A ASN 217.A ND2 MET 41.A O no hydrogen 3.056 N/A ASP 218.A N THR 234.A O no hydrogen 3.097 N/A ILE 219.A N LYS 207.A O no hydrogen 3.105 N/A ALA 220.A N LEU 232.A O no hydrogen 2.789 N/A VAL 221.A N GLY 205.A O no hydrogen 2.754 N/A ILE 222.A N LEU 230.A O no hydrogen 2.748 N/A TRP 223.A N VAL 203.A O no hydrogen 2.919 N/A LEU 230.A N ILE 222.A O no hydrogen 2.762 N/A VAL 231.A N ILE 23.A O no hydrogen 2.964 N/A LEU 232.A N ALA 220.A O no hydrogen 2.955 N/A VAL 233.A N ALA 21.A O no hydrogen 2.957 N/A THR 234.A N ASP 218.A O no hydrogen 2.989 N/A THR 234.A OG1 ASP 218.A O no hydrogen 3.149 N/A TYR 235.A N GLY 19.A O no hydrogen 2.697 N/A PHE 236.A N ASN 217.A OD1 no hydrogen 3.326 N/A THR 237.A N ARG 17.A O no hydrogen 3.208 N/A THR 237.A OG1 TYR 213.A O no hydrogen 3.513 N/A THR 237.A OG1 THR 215.A OG1 no hydrogen 3.037 N/A GLN 238.A N TYR 213.A O no hydrogen 2.869 N/A GLN 238.A NE2 GLY 214.A O no hydrogen 3.371 N/A GLN 238.A NE2 GLU 244.A O no hydrogen 2.841 N/A ALA 243.A N GLU 240.A O no hydrogen 3.214 N/A ASN 245.A ND2 GLY 211.A O no hydrogen 3.484 N/A ARG 246.A N THR 216.A OG1 no hydrogen 2.945 N/A ARG 246.A NE ASP 248.A OD1 no hydrogen 3.010 N/A ARG 246.A NE ASP 248.A OD2 no hydrogen 3.321 N/A ARG 246.A NH2 ASP 248.A OD2 no hydrogen 2.646 N/A ILE 249.A N ARG 246.A O no hydrogen 3.125 N/A ALA 251.A N ASN 247.A O no hydrogen 3.063 N/A ALA 252.A N ASP 248.A O no hydrogen 3.012 N/A ALA 253.A N ILE 249.A O no hydrogen 2.918 N/A ALA 254.A N LEU 250.A O no hydrogen 2.910 N/A LYS 255.A N ALA 251.A O no hydrogen 3.082 N/A ILE 256.A N ALA 252.A O no hydrogen 3.125 N/A VAL 257.A N ALA 253.A O no hydrogen 3.364 N/A THR 258.A N ALA 254.A O no hydrogen 3.261 N/A THR 258.A OG1 ALA 254.A O no hydrogen 2.638 N/A THR 258.A OG1 LYS 255.A O no hydrogen 3.556 N/A PHE 261.A N THR 258.A O no hydrogen 3.068 N/A