Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3u1q_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 2.A N ASN 97.A O no hydrogen 3.138 N/A ALA 4.A N GLN 99.A O no hydrogen 2.995 N/A THR 7.A N PHE 93.A O no hydrogen 2.889 N/A MET 8.A N ASP 30.A OD1 no hydrogen 3.136 N/A TYR 10.A N ARG 28.A O no hydrogen 2.814 N/A MET 12.A N ALA 26.A O no hydrogen 2.925 N/A GLY 14.A N GLU 17.A OE2 no hydrogen 2.651 N/A ASP 15.A N ALA 4.A O no hydrogen 3.271 N/A GLY 16.A N HIS 101.A O no hydrogen 2.569 N/A GLU 17.A N GLY 14.A O no hydrogen 3.076 N/A VAL 19.A N THR 103.A O no hydrogen 2.826 N/A GLY 20.A N ARG 226.A O.A no hydrogen 2.943 N/A GLY 20.A N ARG 226.A O.B no hydrogen 2.726 N/A GLY 22.A N GLY 227.A O no hydrogen 2.610 N/A GLU 23.A N GLY 20.A O no hydrogen 3.219 N/A VAL 25.A N TRP 65.A O no hydrogen 2.836 N/A ALA 26.A N MET 12.A O no hydrogen 2.783 N/A ILE 27.A N VAL 63.A O no hydrogen 2.709 N/A ARG 28.A N TYR 10.A O no hydrogen 2.814 N/A PHE 29.A N ARG 61.A O no hydrogen 2.657 N/A ASP 30.A N MET 8.A O no hydrogen 3.105 N/A ILE 33.A N ASN 60.A O no hydrogen 3.278 N/A ASP 35.A N LEU 88.A O no hydrogen 2.784 N/A ARG 36.A NH1 ASN 260.A O no hydrogen 2.693 N/A ALA 38.A N ASP 35.A OD1 no hydrogen 3.256 N/A ALA 39.A N ASP 35.A O no hydrogen 3.227 N/A GLU 40.A N ARG 36.A O no hydrogen 2.953 N/A LYS 41.A N GLY 37.A O no hydrogen 3.016 N/A ALA 42.A N ALA 38.A O no hydrogen 3.060 N/A ALA 42.A N ALA 39.A O no hydrogen 3.161 N/A ILE 43.A N GLU 40.A O no hydrogen 3.123 N/A LYS 44.A N ALA 80.A O no hydrogen 2.842 N/A THR 46.A N ASP 78.A O no hydrogen 2.941 N/A ASN 48.A N ALA 76.A O no hydrogen 2.861 N/A VAL 51.A N THR 47.A OG1 no hydrogen 3.060 N/A ALA 54.A N ARG 66.A O no hydrogen 3.287 N/A TYR 56.A N ARG 64.A O no hydrogen 2.968 N/A TRP 57.A N ASN 260.A OD1 no hydrogen 2.865 N/A TRP 57.A NE1 GLU 40.A OE1 no hydrogen 2.720 N/A LEU 58.A N GLU 62.A O no hydrogen 3.064 N/A ARG 61.A N ASN 59.A OD1 no hydrogen 2.979 N/A ARG 61.A NH2 ASP 30.A O no hydrogen 3.363 N/A VAL 63.A N ILE 27.A O no hydrogen 2.898 N/A ARG 64.A N TYR 56.A O no hydrogen 2.910 N/A ARG 64.A NE GLU 62.A OE1 no hydrogen 2.738 N/A ARG 64.A NH1 GLY 245.A O no hydrogen 3.018 N/A ARG 64.A NH1 ASP 248.A OD1 no hydrogen 2.865 N/A ARG 64.A NH2 GLU 62.A OE1 no hydrogen 2.731 N/A ARG 64.A NH2 GLY 245.A O no hydrogen 3.009 N/A TRP 65.A N VAL 25.A O no hydrogen 2.939 N/A ARG 66.A N ALA 54.A O no hydrogen 3.416 N/A ARG 66.A NH1 PRO 67.A O no hydrogen 3.056 N/A ARG 66.A NH2 ASP 248.A O no hydrogen 3.008 N/A ARG 66.A NH2 ILE 251.A O no hydrogen 2.789 N/A TRP 71.A N VAL 21.A O no hydrogen 2.954 N/A TRP 71.A NE1 GLU 23.A O no hydrogen 2.525 N/A GLY 74.A N ILE 104.A O no hydrogen 2.765 N/A THR 75.A N LYS 72.A O no hydrogen 3.122 N/A THR 75.A OG1 LYS 72.A O no hydrogen 2.651 N/A ALA 76.A N ASN 48.A O no hydrogen 2.763 N/A VAL 77.A N PHE 102.A O no hydrogen 2.968 N/A ASP 78.A N THR 46.A O no hydrogen 2.884 N/A VAL 79.A N THR 100.A O no hydrogen 2.939 N/A ALA 80.A N LYS 44.A O no hydrogen 2.714 N/A VAL 81.A N VAL 98.A O no hydrogen 2.736 N/A ASN 82.A N ALA 42.A O no hydrogen 2.732 N/A THR 83.A OG1 ASP 96.A O no hydrogen 2.709 N/A TYR 84.A N ASN 97.A OD1 no hydrogen 3.000 N/A GLY 85.A N GLY 94.A O no hydrogen 2.781 N/A VAL 86.A N THR 83.A O no hydrogen 3.063 N/A LEU 88.A N MET 92.A O no hydrogen 2.982 N/A GLY 89.A N ASP 87.A OD1 no hydrogen 3.350 N/A MET 92.A N GLY 89.A O no hydrogen 3.315 N/A PHE 93.A N HIS 5.A O no hydrogen 3.084 N/A GLY 94.A N VAL 86.A O no hydrogen 3.281 N/A GLU 95.A N THR 7.A O no hydrogen 2.829 N/A ASN 97.A N ASP 96.A OD1 no hydrogen 2.800 N/A VAL 98.A N VAL 81.A O no hydrogen 3.065 N/A GLN 99.A N LEU 2.A O no hydrogen 2.700 N/A THR 100.A N VAL 79.A O no hydrogen 3.042 N/A THR 100.A OG1 PRO 13.A O no hydrogen 3.165 N/A HIS 101.A N ASP 15.A OD1 no hydrogen 3.183 N/A HIS 101.A ND1 ASP 78.A OD1 no hydrogen 3.098 N/A PHE 102.A N VAL 77.A O no hydrogen 2.927 N/A THR 103.A N GLU 17.A O no hydrogen 2.989 N/A ILE 104.A N THR 75.A O no hydrogen 2.998 N/A GLY 105.A N VAL 19.A O no hydrogen 2.754 N/A GLU 107.A N ASN 124.A OD1 no hydrogen 3.225 N/A ILE 109.A N ARG 122.A O no hydrogen 2.923 N/A ALA 110.A N ILE 229.A O no hydrogen 2.762 N/A THR 111.A N THR 120.A O no hydrogen 2.848 N/A ALA 112.A N GLU 231.A O no hydrogen 2.815 N/A ASP 113.A N ILE 118.A O no hydrogen 3.209 N/A ASP 114.A N VAL 233.A O no hydrogen 2.960 N/A ASN 115.A N ASP 113.A OD1 no hydrogen 2.709 N/A THR 116.A N ASP 113.A O no hydrogen 3.035 N/A THR 116.A OG1 ASP 113.A O no hydrogen 3.280 N/A LYS 117.A N ASP 113.A O no hydrogen 2.771 N/A LYS 117.A NZ ASP 114.A O no hydrogen 2.899 N/A LYS 117.A NZ ASP 114.A OD1 no hydrogen 3.513 N/A ILE 118.A N THR 116.A OG1 no hydrogen 3.333 N/A LEU 119.A N MET 131.A O no hydrogen 2.662 N/A THR 120.A N THR 111.A O no hydrogen 2.757 N/A VAL 121.A N LYS 129.A O no hydrogen 2.786 N/A ARG 122.A N ILE 109.A O no hydrogen 2.818 N/A VAL 123.A N GLU 126.A O no hydrogen 2.908 N/A ASN 124.A N GLU 107.A O no hydrogen 2.909 N/A ASN 124.A ND2 ASP 106.A OD1 no hydrogen 3.117 N/A GLU 126.A N VAL 123.A O no hydrogen 3.048 N/A VAL 128.A N VAL 121.A O no hydrogen 2.984 N/A LYS 129.A N VAL 121.A O no hydrogen 3.476 N/A MET 131.A N LEU 119.A O no hydrogen 2.728 N/A THR 133.A N LYS 117.A O no hydrogen 2.749 N/A THR 133.A OG1 ASN 211.A O no hydrogen 2.853 N/A SER 134.A N ASN 211.A O no hydrogen 2.998 N/A SER 134.A OG THR 203.A O no hydrogen 2.783 N/A SER 134.A OG THR 205.A OG1 no hydrogen 2.964 N/A MET 135.A N ASN 204.A OD1 no hydrogen 2.802 N/A GLY 136.A N THR 142.A OG1 no hydrogen 2.809 N/A LYS 137.A N SER 206.A O no hydrogen 2.978 N/A LYS 137.A NZ THR 140.A OG1 no hydrogen 2.850 N/A LYS 137.A NZ SER 206.A O no hydrogen 3.536 N/A THR 140.A N LYS 137.A O no hydrogen 2.795 N/A THR 140.A OG1 THR 140.A O no hydrogen 2.553 N/A THR 140.A OG1 SER 206.A O no hydrogen 2.971 N/A THR 142.A OG1 GLY 208.A O no hydrogen 2.652 N/A ASN 144.A N GLY 238.A O no hydrogen 2.628 N/A ASN 144.A ND2 VAL 232.A O no hydrogen 3.607 N/A GLY 145.A N VAL 232.A O no hydrogen 2.711 N/A TYR 147.A N VAL 230.A O no hydrogen 2.764 N/A TYR 147.A OH ALA 143.A O no hydrogen 2.736 N/A ILE 148.A N LEU 246.A O no hydrogen 3.118 N/A VAL 149.A N ASP 228.A O no hydrogen 2.807 N/A GLY 150.A N GLN 182.A O no hydrogen 2.685 N/A SER 151.A N GLN 182.A OE1 no hydrogen 3.428 N/A SER 151.A OG TYR 153.A OH no hydrogen 3.082 N/A SER 151.A OG GLN 182.A OE1 no hydrogen 3.526 N/A ARG 152.A NH1.A GLY 150.A O no hydrogen 2.429 N/A TYR 153.A N ALA 180.A O no hydrogen 2.767 N/A TYR 153.A OH SER 151.A OG no hydrogen 3.082 N/A HIS 155.A ND1 ASP 178.A OD1 no hydrogen 2.826 N/A HIS 155.A NE2 ASP 176.A OD1 no hydrogen 2.635 N/A ILE 156.A N VAL 177.A O no hydrogen 3.094 N/A MET 158.A N THR 175.A O no hydrogen 2.740 N/A SER 160.A N TYR 173.A O no hydrogen 2.941 N/A SER 160.A OG VAL 165.A O no hydrogen 2.597 N/A SER 160.A OG TYR 173.A O no hydrogen 3.336 N/A SER 161.A N ASP 159.A OD1 no hydrogen 2.839 N/A SER 161.A OG ASP 159.A OD1 no hydrogen 2.486 N/A THR 162.A N ASP 159.A O no hydrogen 3.087 N/A THR 162.A OG1 ASP 159.A O no hydrogen 3.217 N/A TYR 163.A N SER 160.A O no hydrogen 2.837 N/A GLY 164.A N SER 161.A O no hydrogen 3.083 N/A VAL 165.A N SER 160.A O no hydrogen 3.197 N/A SER 169.A N PRO 166.A O no hydrogen 2.974 N/A SER 169.A OG PRO 166.A O no hydrogen 2.710 N/A GLY 172.A N SER 169.A O no hydrogen 2.653 N/A TYR 173.A N SER 160.A OG no hydrogen 3.087 N/A ARG 174.A NH1 ASP 159.A OD2 no hydrogen 2.846 N/A THR 175.A N MET 158.A O no hydrogen 2.704 N/A VAL 177.A N ILE 156.A O no hydrogen 2.901 N/A TRP 179.A N LYS 154.A O no hydrogen 2.794 N/A ALA 180.A N TYR 153.A O no hydrogen 2.850 N/A THR 181.A N VAL 190.A O no hydrogen 2.700 N/A GLN 182.A N SER 151.A O no hydrogen 2.884 N/A ILE 183.A N VAL 188.A O no hydrogen 2.942 N/A SER 184.A N VAL 188.A O no hydrogen 3.279 N/A SER 184.A OG SER 186.A OG no hydrogen 2.966 N/A TYR 185.A N ASP 244.A OD1 no hydrogen 2.686 N/A SER 186.A N ASP 244.A OD2 no hydrogen 2.908 N/A SER 186.A OG SER 184.A OG no hydrogen 2.966 N/A SER 186.A OG ASP 244.A OD2 no hydrogen 3.510 N/A GLY 187.A N SER 184.A O no hydrogen 3.135 N/A VAL 188.A N SER 184.A OG no hydrogen 3.039 N/A VAL 190.A N THR 181.A O no hydrogen 2.804 N/A HIS 191.A N LEU 210.A O no hydrogen 3.238 N/A HIS 191.A ND1 SER 192.A O no hydrogen 2.705 N/A SER 192.A N ASP 178.A O no hydrogen 2.934 N/A ALA 193.A N VAL 212.A O no hydrogen 2.840 N/A SER 196.A N ALA 193.A O no hydrogen 3.134 N/A SER 196.A OG ALA 193.A O no hydrogen 3.532 N/A SER 196.A OG ASN 211.A OD1 no hydrogen 2.578 N/A GLN 200.A N SER 196.A O no hydrogen 2.844 N/A GLN 200.A N VAL 197.A O no hydrogen 3.204 N/A GLN 200.A NE2 ALA 193.A O no hydrogen 2.838 N/A GLN 200.A NE2 SER 196.A OG no hydrogen 3.014 N/A GLY 201.A N THR 133.A O no hydrogen 2.852 N/A HIS 202.A N ALA 199.A O no hydrogen 2.737 N/A THR 203.A N ALA 199.A O no hydrogen 2.902 N/A ASN 204.A ND2 ASP 114.A OD1 no hydrogen 2.705 N/A THR 205.A N SER 134.A OG no hydrogen 3.021 N/A THR 205.A OG1 SER 134.A OG no hydrogen 2.964 N/A SER 206.A N MET 135.A O no hydrogen 2.916 N/A SER 206.A OG CYS 209.A O no hydrogen 2.692 N/A GLY 208.A N SER 206.A OG no hydrogen 2.964 N/A CYS 209.A SG GLY 187.A O no hydrogen 3.754 N/A LEU 210.A N PHE 189.A O no hydrogen 2.918 N/A ASN 211.A N SER 134.A O no hydrogen 3.061 N/A VAL 212.A N HIS 191.A O no hydrogen 3.205 N/A ASN 216.A N SER 213.A OG no hydrogen 3.239 N/A ALA 217.A N SER 213.A O no hydrogen 2.740 N/A GLN 218.A N PRO 214.A O no hydrogen 3.033 N/A TRP 219.A N SER 215.A O no hydrogen 2.959 N/A PHE 220.A N ASN 216.A O no hydrogen 2.862 N/A TYR 221.A N ALA 217.A O no hydrogen 2.839 N/A ASP 222.A N GLN 218.A O no hydrogen 2.832 N/A HIS 223.A N TRP 219.A O no hydrogen 2.944 N/A HIS 223.A ND1 TRP 219.A O no hydrogen 3.089 N/A VAL 224.A N PHE 220.A O no hydrogen 3.124 N/A LYS 225.A N ASP 228.A OD2 no hydrogen 3.013 N/A LYS 225.A NZ ASP 106.A O no hydrogen 3.037 N/A LYS 225.A NZ ASP 228.A OD1 no hydrogen 2.915 N/A ARG 226.A NH1.A GLU 17.A OE2 no hydrogen 3.264 N/A ARG 226.A NH2.A GLU 23.A OE2 no hydrogen 2.853 N/A GLY 227.A N VAL 149.A O no hydrogen 3.121 N/A ASP 228.A N LYS 225.A O no hydrogen 3.228 N/A ILE 229.A N VAL 108.A O no hydrogen 3.034 N/A VAL 230.A N TYR 147.A O no hydrogen 3.000 N/A GLU 231.A N ALA 110.A O no hydrogen 2.548 N/A VAL 232.A N GLY 145.A O no hydrogen 2.705 N/A VAL 233.A N ALA 112.A O no hydrogen 3.072 N/A THR 235.A OG1 THR 142.A O no hydrogen 2.672 N/A GLY 237.A N THR 235.A OG1 no hydrogen 2.859 N/A LEU 240.A N ASN 144.A O no hydrogen 2.841 N/A ASP 244.A N PRO 241.A O no hydrogen 3.097 N/A LEU 246.A N ASP 244.A OD1 no hydrogen 2.872 N/A TRP 249.A NE1 GLY 22.A O no hydrogen 2.701 N/A ASN 250.A N GLY 247.A O no hydrogen 2.729 N/A ILE 251.A N ASP 248.A O no hydrogen 3.271 N/A TRP 256.A N PRO 252.A O no hydrogen 2.784 N/A TRP 256.A NE1 ALA 54.A O no hydrogen 2.842 N/A ARG 257.A N TRP 253.A O no hydrogen 2.769 N/A ARG 257.A NE GLU 52.A OE2 no hydrogen 2.987 N/A ARG 257.A NH2 GLU 52.A OE2 no hydrogen 3.185 N/A ALA 258.A N ASP 254.A O no hydrogen 3.289 N/A GLY 259.A N GLN 255.A O no hydrogen 3.403 N/A GLY 259.A N TRP 256.A O no hydrogen 2.668 N/A ASN 260.A ND2 TRP 57.A O no hydrogen 3.057 N/A