Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2q3m_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ALA 4.A N GLN 43.A OE1 no hydrogen 2.843 N/A LEU 11.A N ASP 8.A OD1 no hydrogen 2.388 N/A THR 12.A N GLU 9.A O no hydrogen 2.728 N/A THR 12.A OG1 THR 15.A O no hydrogen 3.500 N/A GLN 13.A N ASP 10.A O no hydrogen 2.866 N/A THR 15.A OG1 LEU 11.A O no hydrogen 3.292 N/A ARG 16.A NH1 PRO 3.A O no hydrogen 3.183 N/A SER 20.A OG ARG 16.A O no hydrogen 2.561 N/A SER 20.A OG ALA 17.A O no hydrogen 2.956 N/A SER 21.A N ILE 19.A O no hydrogen 2.645 N/A SER 21.A OG LEU 18.A O no hydrogen 2.800 N/A LEU 22.A N ILE 19.A O no hydrogen 3.272 N/A GLU 32.A N SER 31.A OG no hydrogen 2.373 N/A TYR 34.A N HIS 41.A O no hydrogen 2.828 N/A GLU 35.A N PRO 23.A O no hydrogen 2.954 N/A PHE 36.A N LEU 39.A O no hydrogen 2.408 N/A LEU 39.A N PHE 36.A O no hydrogen 2.990 N/A HIS 41.A N TYR 34.A O no hydrogen 2.671 N/A ILE 45.A N THR 42.A OG1 no hydrogen 3.384 N/A LEU 46.A N THR 42.A O no hydrogen 3.217 N/A GLN 47.A N GLN 43.A O no hydrogen 3.161 N/A GLN 47.A NE2 LEU 6.A O no hydrogen 3.254 N/A GLY 48.A N ALA 44.A O no hydrogen 3.374 N/A ILE 49.A N ILE 45.A O no hydrogen 3.165 N/A LEU 50.A N LEU 46.A O no hydrogen 3.018 N/A ILE 51.A N GLY 48.A O no hydrogen 2.606 N/A CYS 52.A N GLY 48.A O no hydrogen 2.722 N/A GLN 53.A N ILE 49.A O no hydrogen 2.814 N/A GLN 53.A NE2 SER 140.A O no hydrogen 2.805 N/A LYS 54.A NZ LEU 50.A O no hydrogen 2.989 N/A ARG 55.A N ILE 51.A O no hydrogen 2.741 N/A ARG 55.A NH1 ASP 120.A OD1 no hydrogen 3.091 N/A ALA 58.A N SER 144.A OG no hydrogen 3.003 N/A LYS 59.A N ASP 62.A OD2 no hydrogen 3.094 N/A ASP 62.A N LYS 59.A O no hydrogen 2.595 N/A ILE 64.A N LYS 151.A O no hydrogen 2.955 N/A LEU 65.A N MET 132.A O no hydrogen 3.125 N/A VAL 66.A N VAL 153.A O no hydrogen 2.633 N/A THR 67.A N THR 134.A O no hydrogen 2.801 N/A THR 67.A OG1 THR 134.A O no hydrogen 3.499 N/A SER 71.A N ASN 68.A O no hydrogen 3.461 N/A SER 71.A OG ASN 68.A O no hydrogen 3.133 N/A SER 71.A OG ASN 68.A OD1 no hydrogen 2.530 N/A THR 73.A OG1 HIS 105.A NE2 no hydrogen 3.182 N/A LYS 77.A N THR 73.A O no hydrogen 2.623 N/A LYS 77.A N THR 74.A O no hydrogen 2.320 N/A LYS 77.A NZ VAL 108.A O no hydrogen 2.918 N/A ALA 78.A N THR 74.A O no hydrogen 2.771 N/A LEU 79.A N TRP 75.A O no hydrogen 2.802 N/A PHE 81.A N LYS 77.A O no hydrogen 3.228 N/A ALA 82.A N ALA 78.A O no hydrogen 3.025 N/A ALA 82.A N LEU 79.A O no hydrogen 2.616 N/A LEU 83.A N LEU 79.A O no hydrogen 3.255 N/A LEU 84.A N VAL 80.A O no hydrogen 3.145 N/A ASN 85.A N PHE 81.A O no hydrogen 3.402 N/A ASN 85.A ND2 PHE 81.A O no hydrogen 2.477 N/A ARG 86.A NE GLU 243.A OE1 no hydrogen 3.036 N/A ARG 86.A NH2 LEU 83.A O no hydrogen 2.984 N/A ARG 86.A NH2 GLU 235.A OE1 no hydrogen 3.490 N/A PHE 89.A N ASN 85.A O no hydrogen 2.714 N/A SER 93.A N PRO 90.A O no hydrogen 2.742 N/A SER 93.A OG PRO 90.A O no hydrogen 2.491 N/A SER 94.A OG SER 92.A O no hydrogen 3.532 N/A ASN 96.A N SER 93.A O no hydrogen 2.650 N/A HIS 97.A N SER 94.A O no hydrogen 3.048 N/A LEU 99.A N HIS 97.A ND1 no hydrogen 3.015 N/A LEU 100.A N HIS 97.A O no hydrogen 2.744 N/A VAL 101.A N PRO 98.A O no hydrogen 3.330 N/A THR 102.A N PRO 98.A O no hydrogen 2.778 N/A ASN 103.A ND2 HIS 105.A ND1 no hydrogen 3.144 N/A LEU 106.A N ASN 103.A O no hydrogen 2.976 N/A LEU 107.A N ASN 103.A O no hydrogen 3.358 N/A GLU 112.A N GLU 112.A OE1 no hydrogen 3.011 N/A GLY 113.A N PHE 110.A O no hydrogen 2.921 N/A VAL 114.A N PHE 110.A O no hydrogen 2.948 N/A TYR 115.A N LEU 111.A O no hydrogen 2.422 N/A GLU 117.A N GLY 113.A O no hydrogen 3.024 N/A SER 118.A N VAL 114.A O no hydrogen 2.757 N/A SER 118.A OG VAL 114.A O no hydrogen 2.539 N/A PHE 121.A N SER 118.A O no hydrogen 2.981 N/A SER 124.A N ASP 122.A OD2 no hydrogen 2.974 N/A SER 124.A OG ASP 122.A OD1 no hydrogen 3.430 N/A SER 124.A OG ASP 122.A OD2 no hydrogen 2.814 N/A SER 125.A N ASP 122.A O no hydrogen 3.006 N/A SER 125.A OG ASP 122.A O no hydrogen 2.671 N/A LEU 126.A N PHE 123.A O no hydrogen 3.048 N/A ARG 130.A NE ASP 62.A OD1 no hydrogen 2.942 N/A ARG 130.A NH1 GLU 57.A O no hydrogen 2.525 N/A ARG 130.A NH1 ASP 62.A OD1 no hydrogen 3.357 N/A ARG 130.A NH1 ASP 62.A OD2 no hydrogen 3.514 N/A ASN 133.A N PRO 109.A O no hydrogen 2.981 N/A ASN 133.A ND2 THR 67.A OG1 no hydrogen 3.190 N/A THR 134.A N LEU 65.A O no hydrogen 2.591 N/A THR 134.A OG1 GLU 112.A OE1 no hydrogen 2.243 N/A THR 134.A OG1 GLU 112.A OE2 no hydrogen 2.571 N/A HIS 135.A N GLU 112.A OE2 no hydrogen 2.895 N/A ILE 136.A N GLU 112.A OE2 no hydrogen 3.235 N/A ILE 136.A N THR 134.A OG1 no hydrogen 3.422 N/A SER 140.A N HIS 138.A O no hydrogen 2.524 N/A SER 140.A OG SER 137.A O no hydrogen 3.249 N/A LEU 141.A N HIS 138.A O no hydrogen 3.189 N/A LYS 146.A N PRO 142.A O no hydrogen 3.240 N/A SER 147.A N GLU 143.A O no hydrogen 2.806 N/A SER 147.A OG GLU 143.A O no hydrogen 2.658 N/A SER 149.A N ASP 60.A OD2 no hydrogen 2.815 N/A CYS 150.A SG SER 148.A OG no hydrogen 3.360 N/A LYS 151.A NZ ASN 209.A O no hydrogen 2.653 N/A LYS 151.A NZ PHE 233.A O no hydrogen 2.534 N/A ILE 152.A N LYS 210.A O no hydrogen 2.323 N/A VAL 153.A N ILE 64.A O no hydrogen 2.787 N/A TYR 154.A N LEU 212.A O no hydrogen 2.683 N/A TYR 154.A OH HIS 196.A ND1 no hydrogen 3.100 N/A CYS 155.A N VAL 66.A O no hydrogen 2.558 N/A CYS 156.A N VAL 214.A O no hydrogen 2.960 N/A CYS 156.A SG ARG 157.A O no hydrogen 3.671 N/A ARG 157.A NH1 ASP 161.A OD2 no hydrogen 3.078 N/A ARG 157.A NH2 GLY 72.A O no hydrogen 3.000 N/A ASN 158.A N GLU 217.A OE1 no hydrogen 2.853 N/A LYS 160.A N ASN 158.A OD1 no hydrogen 2.806 N/A LYS 160.A NZ ASP 269.A OD1 no hydrogen 2.708 N/A ASP 161.A N ASN 158.A O no hydrogen 2.826 N/A MET 162.A N ASN 158.A O no hydrogen 2.889 N/A PHE 163.A N PRO 159.A O no hydrogen 2.412 N/A SER 165.A OG ASP 161.A O no hydrogen 3.340 N/A SER 165.A OG MET 162.A O no hydrogen 2.998 N/A LEU 166.A N MET 162.A O no hydrogen 3.427 N/A TRP 167.A N PHE 163.A O no hydrogen 2.999 N/A HIS 168.A N VAL 164.A O no hydrogen 2.787 N/A LYS 171.A N HIS 168.A O no hydrogen 2.581 N/A LYS 172.A N HIS 168.A O no hydrogen 2.791 N/A LYS 178.A N PRO 175.A O no hydrogen 3.105 N/A ALA 179.A N PRO 175.A O no hydrogen 3.346 N/A VAL 180.A N ILE 176.A O no hydrogen 3.039 N/A GLU 181.A N GLU 177.A O no hydrogen 3.384 N/A ALA 182.A N LYS 178.A O no hydrogen 3.193 N/A PHE 183.A N ALA 179.A O no hydrogen 2.978 N/A CYS 184.A N VAL 180.A O no hydrogen 2.761 N/A CYS 184.A SG VAL 180.A O no hydrogen 3.524 N/A GLU 185.A N GLU 181.A O no hydrogen 2.793 N/A GLY 186.A N ALA 182.A O no hydrogen 2.786 N/A GLY 190.A N TRP 40.A O no hydrogen 3.186 N/A GLY 191.A N PHE 188.A O no hydrogen 2.785 N/A ASP 195.A N PRO 192.A O no hydrogen 3.062 N/A HIS 196.A N PHE 193.A O no hydrogen 3.129 N/A HIS 196.A ND1 TYR 154.A OH no hydrogen 3.100 N/A HIS 196.A ND1 HIS 196.A O no hydrogen 2.862 N/A HIS 196.A NE2 HIS 135.A O no hydrogen 2.316 N/A TRP 201.A N ILE 197.A O no hydrogen 3.152 N/A TRP 201.A NE1 SER 279.A O no hydrogen 2.623 N/A TYR 202.A N LEU 198.A O no hydrogen 2.992 N/A SER 204.A N TYR 200.A O no hydrogen 2.891 N/A SER 204.A N TRP 201.A O no hydrogen 2.693 N/A SER 204.A OG TRP 201.A O no hydrogen 2.952 N/A ARG 205.A N TRP 201.A O no hydrogen 3.033 N/A GLU 206.A N TYR 202.A O no hydrogen 3.018 N/A ASN 207.A N ALA 203.A O no hydrogen 3.107 N/A LYS 210.A N ASN 207.A O no hydrogen 3.121 N/A LYS 210.A NZ VAL 145.A O no hydrogen 2.961 N/A LYS 210.A NZ LYS 146.A O no hydrogen 3.222 N/A LYS 210.A NZ SER 148.A O no hydrogen 2.418 N/A VAL 211.A N ASN 207.A O no hydrogen 3.294 N/A LEU 212.A N ILE 152.A O no hydrogen 2.656 N/A VAL 214.A N TYR 154.A O no hydrogen 2.858 N/A TYR 216.A N CYS 156.A O no hydrogen 2.528 N/A GLU 217.A N GLU 217.A OE2 no hydrogen 2.567 N/A GLU 218.A N THR 215.A OG1 no hydrogen 3.270 N/A LEU 219.A N THR 215.A O no hydrogen 3.024 N/A LYS 220.A N TYR 216.A O no hydrogen 3.192 N/A LYS 220.A N GLU 217.A O no hydrogen 3.240 N/A LYS 221.A N GLU 217.A O no hydrogen 2.985 N/A GLN 222.A N GLU 218.A O no hydrogen 3.071 N/A THR 223.A OG1 LEU 219.A O no hydrogen 2.907 N/A THR 223.A OG1 LYS 220.A O no hydrogen 3.236 N/A GLU 226.A N GLN 222.A O no hydrogen 3.070 N/A MET 227.A N THR 223.A O no hydrogen 3.100 N/A LYS 228.A N GLU 224.A O no hydrogen 3.224 N/A LYS 228.A N VAL 225.A O no hydrogen 2.828 N/A ARG 229.A N VAL 225.A O no hydrogen 3.152 N/A ARG 229.A NH1 PHE 213.A O no hydrogen 3.489 N/A ARG 229.A NH1 GLU 226.A OE2 no hydrogen 3.097 N/A ILE 230.A N GLU 226.A O no hydrogen 2.722 N/A ALA 231.A N MET 227.A O no hydrogen 2.998 N/A PHE 233.A N ILE 230.A O no hydrogen 2.864 N/A GLU 240.A N GLU 243.A OE2 no hydrogen 2.714 N/A GLU 243.A N GLU 240.A O no hydrogen 3.309 N/A ARG 245.A N GLU 241.A O no hydrogen 3.061 N/A ARG 245.A NE GLU 242.A OE2 no hydrogen 2.953 N/A ARG 245.A NH1 GLU 241.A OE2 no hydrogen 2.639 N/A ARG 245.A NH2 GLU 224.A OE1 no hydrogen 3.217 N/A GLU 246.A N GLU 242.A O no hydrogen 2.944 N/A ILE 247.A N GLU 243.A O no hydrogen 3.039 N/A VAL 248.A N VAL 244.A O no hydrogen 3.016 N/A LYS 249.A N ARG 245.A O no hydrogen 2.749 N/A LEU 250.A N GLU 246.A O no hydrogen 3.003 N/A CYS 251.A N ILE 247.A O no hydrogen 2.887 N/A CYS 251.A SG ALA 78.A O no hydrogen 3.419 N/A CYS 251.A SG ILE 247.A O no hydrogen 3.428 N/A SER 252.A N LYS 249.A O no hydrogen 3.286 N/A SER 252.A OG LYS 249.A O no hydrogen 2.809 N/A GLU 254.A N CYS 251.A O no hydrogen 3.094 N/A THR 259.A N TRP 256.A O no hydrogen 2.466 N/A THR 259.A OG1 GLY 255.A O no hydrogen 2.831 N/A LEU 260.A N TRP 256.A O no hydrogen 2.996 N/A ALA 265.A N SER 261.A O no hydrogen 3.055 N/A GLU 266.A N GLU 262.A O no hydrogen 2.900 N/A GLU 267.A N SER 263.A O no hydrogen 2.719 N/A ILE 268.A N LEU 264.A O no hydrogen 2.992 N/A ASP 269.A N ALA 265.A O no hydrogen 2.366 N/A ARG 270.A N GLU 266.A O no hydrogen 2.352 N/A THR 271.A N GLU 267.A O no hydrogen 3.138 N/A ILE 272.A N ILE 268.A O no hydrogen 2.658 N/A GLU 273.A N ASP 269.A O no hydrogen 3.231 N/A GLU 274.A N ARG 270.A O no hydrogen 3.374 N/A LYS 275.A N THR 271.A O no hydrogen 2.889 N/A PHE 276.A N ILE 272.A O no hydrogen 2.711 N/A LYS 277.A N GLU 274.A O no hydrogen 3.344 N/A SER 279.A N PHE 276.A O no hydrogen 3.208 N/A SER 279.A OG PHE 276.A O no hydrogen 2.666 N/A LYS 282.A NZ GLU 273.A OE1 no hydrogen 3.346 N/A LYS 282.A NZ GLU 273.A OE2 no hydrogen 3.249 N/A