Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3es6_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ASP 4.A N GLN 3.A OE1 no hydrogen 2.833 N/A GLY 5.A N ASN 106.A OD1 no hydrogen 3.324 N/A TYR 7.A N ILE 104.A O no hydrogen 2.823 N/A TYR 7.A OH ASP 181.A OD1 no hydrogen 2.642 N/A TYR 7.A OH ASP 181.A OD2 no hydrogen 3.157 N/A SER 8.A N ASN 33.A OD1 no hydrogen 2.725 N/A LEU 9.A N CYS 102.A O no hydrogen 2.884 N/A THR 10.A N SER 31.A O no hydrogen 3.080 N/A TYR 11.A N PHE 100.A O no hydrogen 2.783 N/A ILE 12.A N LEU 29.A O no hydrogen 2.862 N/A TYR 13.A N GLY 98.A O no hydrogen 2.759 N/A TYR 13.A OH GLN 69.A OE1 no hydrogen 3.228 N/A THR 14.A N GLN 27.A O no hydrogen 2.726 N/A GLY 15.A N LEU 96.A O no hydrogen 2.850 N/A LEU 16.A N ALA 25.A O no hydrogen 2.943 N/A SER 17.A N HIS 94.A O no hydrogen 3.191 N/A SER 17.A OG GLY 92.A O no hydrogen 3.029 N/A SER 17.A OG HIS 94.A O no hydrogen 3.225 N/A HIS 19.A ND1 VAL 20.A O no hydrogen 3.082 N/A HIS 19.A ND1 VAL 23.A O no hydrogen 2.855 N/A PHE 26.A N SER 42.A OG no hydrogen 3.018 N/A GLN 27.A N THR 14.A O no hydrogen 2.790 N/A ALA 28.A N TYR 40.A O no hydrogen 2.782 N/A LEU 29.A N ILE 12.A O no hydrogen 2.994 N/A GLY 30.A N PHE 38.A O no hydrogen 3.111 N/A SER 31.A N THR 10.A O no hydrogen 2.790 N/A LEU 32.A N LEU 35.A O no hydrogen 2.687 N/A ASN 33.A N SER 8.A O no hydrogen 2.855 N/A LEU 35.A N LEU 32.A O no hydrogen 3.157 N/A GLN 36.A N ASN 236.A OD1 no hydrogen 3.288 N/A PHE 37.A N GLY 30.A O no hydrogen 2.948 N/A ARG 39.A N GLN 48.A O no hydrogen 3.036 N/A ARG 39.A NH2 GLN 48.A OE1 no hydrogen 3.377 N/A TYR 40.A N ALA 28.A O no hydrogen 2.818 N/A TYR 40.A OH GLU 73.A OE1 no hydrogen 2.971 N/A SER 42.A N PHE 26.A O no hydrogen 2.917 N/A SER 42.A OG PHE 26.A O no hydrogen 3.548 N/A ASP 44.A N ASN 41.A OD1 no hydrogen 2.855 N/A ARG 45.A N ASN 41.A O no hydrogen 2.928 N/A ARG 45.A NH1 SER 42.A O no hydrogen 2.787 N/A ARG 45.A NH1 GLU 73.A OE2 no hydrogen 3.082 N/A ARG 45.A NH2 GLU 73.A OE2 no hydrogen 3.172 N/A SER 47.A OG ASP 65.A OD2 no hydrogen 2.829 N/A GLN 48.A N ARG 39.A O no hydrogen 3.123 N/A MET 50.A N PHE 37.A O no hydrogen 2.699 N/A TRP 53.A N MET 50.A O no hydrogen 3.184 N/A TRP 53.A NE1 SER 176.A OG no hydrogen 2.953 N/A ARG 54.A N GLY 51.A O no hydrogen 3.078 N/A ARG 54.A NE GLY 51.A O no hydrogen 3.220 N/A ASP 61.A N GLU 60.A OE1 no hydrogen 3.000 N/A GLN 64.A NE2 ASP 61.A OD2 no hydrogen 3.090 N/A ASP 65.A N ASP 61.A O no hydrogen 2.920 N/A SER 66.A N TRP 62.A O no hydrogen 3.032 N/A SER 66.A OG TRP 62.A O no hydrogen 2.612 N/A SER 66.A OG LYS 63.A O no hydrogen 3.383 N/A GLN 69.A N ASP 65.A O no hydrogen 2.876 N/A GLN 69.A NE2 ASP 65.A OD1 no hydrogen 3.034 N/A GLN 69.A NE2 ASP 65.A OD2 no hydrogen 3.312 N/A LYS 70.A N SER 66.A O no hydrogen 2.968 N/A LYS 70.A NZ ASP 74.A OD2 no hydrogen 3.003 N/A ALA 71.A N GLN 67.A O no hydrogen 3.113 N/A ARG 72.A N LEU 68.A O no hydrogen 3.003 N/A GLU 73.A N GLN 69.A O no hydrogen 2.859 N/A ASP 74.A N LYS 70.A O no hydrogen 3.074 N/A ILE 75.A N ALA 71.A O no hydrogen 3.424 N/A PHE 76.A N ARG 72.A O no hydrogen 2.855 N/A MET 77.A N GLU 73.A O no hydrogen 3.038 N/A GLU 78.A N ASP 74.A O no hydrogen 3.073 N/A THR 79.A N ILE 75.A O no hydrogen 3.269 N/A THR 79.A OG1 ILE 75.A O no hydrogen 3.025 N/A LEU 80.A N PHE 76.A O no hydrogen 3.113 N/A LYS 81.A N MET 77.A O no hydrogen 2.742 N/A LYS 81.A NZ GLU 85.A OE1 no hydrogen 3.457 N/A ASP 82.A N GLU 78.A O no hydrogen 3.183 N/A ILE 83.A N THR 79.A O no hydrogen 3.067 N/A VAL 84.A N LEU 80.A O no hydrogen 3.140 N/A GLU 85.A N LYS 81.A O no hydrogen 2.756 N/A TYR 86.A N ASP 82.A O no hydrogen 3.094 N/A TYR 87.A N ILE 83.A O no hydrogen 3.053 N/A TYR 87.A OH ASP 137.A OD1 no hydrogen 2.791 N/A TYR 87.A OH ASP 137.A OD2 no hydrogen 3.274 N/A HIS 94.A N SER 17.A OG no hydrogen 2.842 N/A HIS 94.A ND1 ASP 119.A OD2 no hydrogen 2.665 N/A VAL 95.A N ASP 119.A OD1 no hydrogen 2.849 N/A LEU 96.A N GLY 15.A O no hydrogen 3.199 N/A GLN 97.A N TYR 117.A O no hydrogen 2.920 N/A GLN 97.A NE2 THR 14.A OG1 no hydrogen 3.419 N/A GLY 98.A N TYR 13.A O no hydrogen 2.700 N/A ARG 99.A N LYS 115.A O no hydrogen 2.830 N/A ARG 99.A NH2 GLN 97.A OE1 no hydrogen 2.876 N/A PHE 100.A N TYR 11.A O no hydrogen 3.145 N/A GLY 101.A N PHE 113.A O no hydrogen 2.875 N/A CYS 102.A N LEU 9.A O no hydrogen 3.036 N/A GLU 103.A N GLY 111.A O no hydrogen 2.973 N/A ILE 104.A N TYR 7.A O no hydrogen 2.882 N/A GLU 105.A N ARG 108.A O no hydrogen 2.773 N/A ASN 106.A N GLY 5.A O no hydrogen 2.916 N/A ARG 108.A N GLU 105.A O no hydrogen 2.962 N/A SER 110.A N GLU 103.A O no hydrogen 3.086 N/A SER 110.A OG GLU 103.A O no hydrogen 3.177 N/A PHE 113.A N GLY 101.A O no hydrogen 2.805 N/A TRP 114.A NE1 TYR 116.A OH no hydrogen 2.967 N/A LYS 115.A N ARG 99.A O no hydrogen 2.769 N/A LYS 115.A NZ ASP 122.A OD2 no hydrogen 3.322 N/A LYS 115.A NZ GLU 125.A OE2 no hydrogen 3.549 N/A TYR 116.A N ILE 124.A O no hydrogen 2.870 N/A TYR 117.A N GLN 97.A O no hydrogen 2.727 N/A TYR 118.A N LYS 121.A O no hydrogen 2.735 N/A ASP 119.A N VAL 95.A O no hydrogen 2.875 N/A LYS 121.A N TYR 118.A O no hydrogen 2.804 N/A TYR 123.A N TYR 116.A O no hydrogen 2.969 N/A TYR 123.A OH THR 143.A OG1 no hydrogen 2.985 N/A ILE 124.A N TYR 116.A O no hydrogen 3.394 N/A PHE 126.A N TRP 114.A O no hydrogen 2.999 N/A ASN 127.A N ALA 132.A O no hydrogen 2.861 N/A LYS 128.A NZ GLU 129.A OE2 no hydrogen 3.212 N/A LYS 128.A NZ GLU 162.A OE2 no hydrogen 3.165 N/A GLU 129.A N ASN 127.A OD1 no hydrogen 2.968 N/A ALA 132.A N ASN 127.A O no hydrogen 2.969 N/A TRP 133.A N GLU 148.A OE2 no hydrogen 2.822 N/A VAL 134.A N GLU 125.A O no hydrogen 2.659 N/A PHE 136.A N TYR 123.A O no hydrogen 2.934 N/A ALA 139.A N ASP 137.A OD1 no hydrogen 2.733 N/A ALA 140.A N ASP 137.A O no hydrogen 2.762 N/A GLN 141.A N PRO 138.A O no hydrogen 3.224 N/A ILE 142.A N ALA 139.A O no hydrogen 3.029 N/A THR 143.A OG1 TYR 123.A OH no hydrogen 2.985 N/A LYS 144.A N ALA 140.A O no hydrogen 3.002 N/A LYS 144.A NZ TRP 133.A O no hydrogen 3.075 N/A LYS 144.A NZ GLU 148.A OE1 no hydrogen 3.263 N/A LYS 144.A NZ GLU 148.A OE2 no hydrogen 3.138 N/A GLN 145.A N GLN 141.A O no hydrogen 3.261 N/A GLN 145.A N ILE 142.A O no hydrogen 2.982 N/A LYS 146.A N ILE 142.A O no hydrogen 2.978 N/A LYS 146.A NZ ASP 82.A OD2 no hydrogen 3.099 N/A TRP 147.A N THR 143.A O no hydrogen 2.817 N/A ALA 149.A N LYS 146.A O no hydrogen 3.198 N/A TYR 153.A N GLU 150.A O no hydrogen 3.123 N/A GLN 155.A N VAL 152.A O no hydrogen 2.777 N/A ARG 156.A N VAL 152.A O no hydrogen 3.162 N/A ARG 156.A N TYR 153.A O no hydrogen 3.207 N/A ALA 157.A N TYR 153.A O no hydrogen 3.025 N/A LYS 158.A N VAL 154.A O no hydrogen 3.284 N/A LYS 158.A NZ LYS 128.A O no hydrogen 2.967 N/A LYS 158.A NZ GLU 162.A OE2 no hydrogen 2.992 N/A ALA 159.A N GLN 155.A O no hydrogen 3.149 N/A TYR 160.A N ARG 156.A O no hydrogen 2.728 N/A LEU 161.A N ALA 157.A O no hydrogen 3.321 N/A GLU 162.A N LYS 158.A O no hydrogen 2.862 N/A GLU 163.A N ALA 159.A O no hydrogen 2.831 N/A GLU 164.A N ALA 159.A O no hydrogen 3.104 N/A CYS 165.A N TYR 160.A O no hydrogen 2.783 N/A ALA 167.A N GLU 163.A O no hydrogen 3.023 N/A THR 168.A N GLU 164.A O no hydrogen 3.280 N/A THR 168.A OG1 GLU 164.A O no hydrogen 2.852 N/A LEU 169.A N CYS 165.A O no hydrogen 2.876 N/A ARG 170.A N PRO 166.A O no hydrogen 2.932 N/A ARG 170.A NH1 ASN 107.A O no hydrogen 2.601 N/A ARG 170.A NH1 ASN 107.A OD1 no hydrogen 3.294 N/A LYS 171.A N ALA 167.A O no hydrogen 3.150 N/A TYR 172.A N THR 168.A O no hydrogen 2.951 N/A TYR 172.A OH GLU 60.A OE2 no hydrogen 2.594 N/A LEU 173.A N LEU 169.A O no hydrogen 2.790 N/A LYS 174.A N ARG 170.A O no hydrogen 3.100 N/A LYS 174.A N LYS 171.A O no hydrogen 3.327 N/A TYR 175.A N TYR 172.A O no hydrogen 3.102 N/A SER 176.A N LEU 173.A O no hydrogen 3.242 N/A SER 176.A OG TYR 172.A O no hydrogen 2.735 N/A LYS 177.A N LEU 173.A O no hydrogen 2.815 N/A LYS 177.A NZ TYR 7.A OH no hydrogen 3.080 N/A LYS 177.A NZ ASP 181.A OD2 no hydrogen 3.357 N/A ASN 178.A ND2 TYR 175.A O no hydrogen 3.217 N/A LEU 180.A N SER 176.A O no hydrogen 2.934 N/A ASP 181.A N LYS 177.A O no hydrogen 2.912 N/A ARG 182.A N ILE 179.A O no hydrogen 3.194 N/A GLN 183.A NE2 SER 264.A OG no hydrogen 2.786 N/A ASP 184.A N TYR 210.A O no hydrogen 2.933 N/A SER 187.A N TYR 207.A O no hydrogen 3.117 N/A VAL 189.A N LEU 205.A O no hydrogen 2.917 N/A THR 191.A N LYS 203.A O no hydrogen 2.893 N/A HIS 193.A N LYS 201.A O no hydrogen 3.001 N/A GLU 198.A N ALA 195.A O no hydrogen 2.898 N/A LYS 201.A N HIS 193.A O no hydrogen 2.976 N/A LYS 201.A NZ GLU 228.A OE1 no hydrogen 3.431 N/A LYS 201.A NZ GLU 228.A OE2 no hydrogen 2.676 N/A LEU 202.A N VAL 247.A O no hydrogen 2.879 N/A LYS 203.A N THR 191.A O no hydrogen 2.756 N/A CYS 204.A N VAL 245.A O no hydrogen 2.839 N/A LEU 205.A N VAL 189.A O no hydrogen 2.949 N/A ALA 206.A N SER 243.A O no hydrogen 2.665 N/A TYR 207.A N SER 187.A O no hydrogen 3.044 N/A PHE 209.A N TYR 241.A O no hydrogen 3.401 N/A TYR 210.A N ASP 184.A O no hydrogen 3.218 N/A TYR 210.A OH ASP 34.A OD1 no hydrogen 2.774 N/A ASP 215.A N GLN 262.A O no hydrogen 2.878 N/A HIS 217.A N HIS 260.A O no hydrogen 3.111 N/A HIS 217.A ND1 ASP 215.A OD1 no hydrogen 3.063 N/A HIS 217.A ND1 ASP 215.A OD2 no hydrogen 3.010 N/A TRP 218.A NE1 VAL 245.A O no hydrogen 3.074 N/A THR 219.A N SER 258.A O no hydrogen 2.851 N/A THR 219.A OG1 SER 258.A O no hydrogen 2.961 N/A THR 219.A OG1 SER 258.A OG no hydrogen 3.114 N/A THR 219.A OG1 HIS 260.A NE2 no hydrogen 2.653 N/A ARG 220.A N GLU 223.A O no hydrogen 2.734 N/A ARG 220.A NE ASP 253.A OD1 no hydrogen 3.122 N/A ARG 220.A NE ASP 253.A OD2 no hydrogen 2.691 N/A ARG 220.A NH2 ASP 253.A OD1 no hydrogen 3.032 N/A ALA 221.A N PRO 256.A O no hydrogen 2.861 N/A GLU 223.A N ARG 220.A O no hydrogen 3.192 N/A GLN 225.A N TRP 218.A O no hydrogen 3.131 N/A GLN 225.A NE2 GLU 223.A O no hydrogen 3.613 N/A GLU 228.A N VAL 246.A O no hydrogen 2.667 N/A GLY 231.A N TRP 244.A O no hydrogen 2.997 N/A VAL 233.A N GLN 242.A O no hydrogen 2.842 N/A HIS 235.A N THR 240.A O no hydrogen 2.880 N/A ASN 236.A ND2 GLN 36.A O no hydrogen 3.495 N/A GLY 239.A N HIS 235.A O no hydrogen 2.660 N/A THR 240.A N HIS 235.A O no hydrogen 3.087 N/A TYR 241.A N PHE 209.A O no hydrogen 2.693 N/A TYR 241.A OH ASP 34.A OD2 no hydrogen 2.606 N/A GLN 242.A N VAL 233.A O no hydrogen 3.024 N/A SER 243.A N ALA 206.A O no hydrogen 2.772 N/A SER 243.A OG GLY 231.A O no hydrogen 3.395 N/A SER 243.A OG ASP 232.A OD2 no hydrogen 2.897 N/A TRP 244.A N GLY 231.A O no hydrogen 2.997 N/A VAL 245.A N CYS 204.A O no hydrogen 2.968 N/A VAL 246.A N LEU 229.A O no hydrogen 3.083 N/A VAL 247.A N LEU 202.A O no hydrogen 3.023 N/A VAL 249.A N LYS 200.A O no hydrogen 2.803 N/A ASP 253.A N PRO 250.A O no hydrogen 3.304 N/A ALA 255.A N ASP 253.A OD1 no hydrogen 3.150 N/A TYR 257.A OH ASP 253.A OD2 no hydrogen 3.272 N/A SER 258.A N THR 219.A O no hydrogen 3.168 N/A SER 258.A OG THR 219.A OG1 no hydrogen 3.114 N/A CYS 259.A N VAL 272.A O no hydrogen 2.732 N/A HIS 260.A N HIS 217.A O no hydrogen 2.808 N/A HIS 260.A NE2 THR 219.A OG1 no hydrogen 2.653 N/A VAL 261.A N LEU 270.A O no hydrogen 2.755 N/A GLN 262.A N ASP 215.A O no hydrogen 2.699 N/A HIS 263.A ND1 SER 265.A OG no hydrogen 2.720 N/A HIS 263.A NE2 PRO 211.A O no hydrogen 3.015 N/A SER 265.A N HIS 263.A ND1 no hydrogen 3.036 N/A SER 265.A OG HIS 263.A ND1 no hydrogen 2.720 N/A LEU 266.A N HIS 263.A O no hydrogen 3.157 N/A LEU 270.A N VAL 261.A O no hydrogen 2.918 N/A VAL 272.A N CYS 259.A O no hydrogen 2.878 N/A TRP 274.A N TYR 257.A O no hydrogen 2.859 N/A