Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3s1q_C.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLN 5.A N SER 21.A O no hydrogen 2.699 N/A GLN 5.A NE2 GLY 3.A O no hydrogen 3.105 N/A LYS 7.A N ILE 19.A O no hydrogen 3.011 N/A LYS 7.A NZ VAL 6.A O no hydrogen 3.173 N/A ARG 9.A N ASP 17.A O no hydrogen 2.795 N/A ARG 9.A NH1 ASN 204.A OD1 no hydrogen 2.800 N/A ARG 9.A NH2 ASN 204.A OD1 no hydrogen 2.937 N/A GLU 10.A N ASP 17.A O no hydrogen 3.214 N/A SER 12.A N ASN 15.A O no hydrogen 2.698 N/A SER 12.A OG ASN 15.A O no hydrogen 3.510 N/A ASP 14.A N SER 12.A OG no hydrogen 3.081 N/A ASN 15.A ND2 GLU 231.A OE2 no hydrogen 3.474 N/A VAL 16.A N VAL 230.A O no hydrogen 2.955 N/A ASP 17.A N GLU 10.A O no hydrogen 2.707 N/A PHE 18.A N MET 228.A O no hydrogen 2.796 N/A ILE 19.A N LYS 7.A O no hydrogen 2.961 N/A LEU 20.A N PHE 226.A O no hydrogen 2.862 N/A SER 21.A N GLN 5.A O no hydrogen 2.792 N/A SER 21.A OG GLN 5.A O no hydrogen 3.157 N/A VAL 23.A N ASP 224.A OD1 no hydrogen 3.129 N/A ASP 24.A N ASP 24.A OD1 no hydrogen 2.657 N/A ALA 28.A N ASP 24.A O no hydrogen 3.128 N/A ASN 29.A N LEU 25.A O no hydrogen 2.856 N/A SER 30.A N ALA 26.A O no hydrogen 2.827 N/A SER 30.A OG ALA 26.A O no hydrogen 2.829 N/A LEU 31.A N MET 27.A O no hydrogen 3.039 N/A ARG 32.A N ALA 28.A O no hydrogen 3.284 N/A ARG 32.A NH1 ASN 29.A OD1 no hydrogen 2.700 N/A ARG 33.A N ASN 29.A O no hydrogen 2.980 N/A VAL 34.A N SER 30.A O no hydrogen 3.077 N/A MET 35.A N LEU 31.A O no hydrogen 2.838 N/A ILE 36.A N ARG 32.A O no hydrogen 3.162 N/A ALA 37.A N ARG 33.A O no hydrogen 2.788 N/A ILE 39.A N ALA 37.A O no hydrogen 2.552 N/A THR 41.A N GLY 160.A O no hydrogen 2.778 N/A THR 41.A OG1 PRO 40.A O no hydrogen 3.365 N/A THR 41.A OG1 SER 72.A OG no hydrogen 3.198 N/A LEU 42.A N SER 72.A OG no hydrogen 2.801 N/A ALA 43.A N LYS 158.A O no hydrogen 3.168 N/A ASP 45.A N VAL 156.A O no hydrogen 2.752 N/A GLU 48.A N THR 154.A O no hydrogen 2.810 N/A GLU 50.A N LYS 152.A O no hydrogen 2.803 N/A THR 51.A N LYS 152.A O no hydrogen 2.837 N/A ASN 52.A ND2 LEU 56.A O no hydrogen 3.331 N/A THR 53.A N GLU 150.A O no hydrogen 2.744 N/A THR 53.A OG1 GLU 150.A O no hydrogen 3.150 N/A THR 54.A OG1 ASN 52.A OD1 no hydrogen 2.738 N/A THR 54.A OG1 LEU 56.A O no hydrogen 3.223 N/A GLU 59.A N GLU 59.A OE1 no hydrogen 2.942 N/A ILE 61.A N ALA 57.A O no hydrogen 3.070 N/A ALA 62.A N ASP 58.A O no hydrogen 2.904 N/A HIS 63.A N GLU 59.A O no hydrogen 2.773 N/A ARG 64.A N PHE 60.A O no hydrogen 3.428 N/A ARG 64.A NH1 LEU 141.A O no hydrogen 2.708 N/A ARG 64.A NH1 ILE 142.A O no hydrogen 3.102 N/A LEU 65.A N ILE 61.A O no hydrogen 2.956 N/A GLY 66.A N ALA 62.A O no hydrogen 3.096 N/A LEU 67.A N HIS 63.A O no hydrogen 3.369 N/A ILE 68.A N ARG 64.A O no hydrogen 2.986 N/A ILE 68.A N LEU 65.A O no hydrogen 3.072 N/A GLN 71.A N HIS 129.A O no hydrogen 3.087 N/A SER 72.A N SER 235.A O no hydrogen 2.807 N/A SER 72.A OG THR 41.A OG1 no hydrogen 3.198 N/A SER 72.A OG LEU 70.A O no hydrogen 3.211 N/A ASP 74.A N ASN 126.A O no hydrogen 2.754 N/A GLN 77.A N ASP 74.A O no hydrogen 3.233 N/A GLU 79.A N LYS 92.A O no hydrogen 2.761 N/A SER 81.A OG CYS 93.A O no hydrogen 3.465 N/A ASP 83.A N TYR 80.A O no hydrogen 2.821 N/A CYS 84.A N SER 81.A O no hydrogen 2.928 N/A CYS 86.A SG ASP 88.A O no hydrogen 3.085 N/A CYS 93.A SG SER 81.A OG no hydrogen 3.071 N/A SER 94.A N CYS 90.A O no hydrogen 3.125 N/A SER 94.A OG HIS 89.A ND1 no hydrogen 3.168 N/A SER 94.A OG CYS 90.A O no hydrogen 2.541 N/A VAL 95.A N ALA 157.A O no hydrogen 2.996 N/A LEU 97.A N CYS 155.A O no hydrogen 2.706 N/A THR 98.A N VAL 117.A O no hydrogen 2.647 N/A THR 98.A OG1 LEU 153.A O no hydrogen 3.385 N/A LEU 99.A N LEU 153.A O no hydrogen 2.844 N/A ALA 101.A N LEU 151.A O no hydrogen 2.884 N/A GLY 103.A N GLN 149.A O no hydrogen 2.829 N/A SER 105.A OG SER 107.A O no hydrogen 3.123 N/A SER 105.A OG THR 109.A OG1 no hydrogen 2.691 N/A THR 109.A N LEU 145.A O no hydrogen 2.869 N/A THR 109.A OG1 SER 105.A OG no hydrogen 2.691 N/A VAL 111.A N CYS 143.A O no hydrogen 2.879 N/A TYR 112.A N ASP 115.A OD2 no hydrogen 2.964 N/A SER 113.A N VAL 140.A O no hydrogen 2.717 N/A LYS 114.A NZ ASN 138.A OD1 no hydrogen 2.862 N/A ASP 115.A N TYR 112.A O no hydrogen 2.790 N/A LEU 116.A N SER 113.A O no hydrogen 3.363 N/A VAL 117.A N THR 98.A O no hydrogen 2.921 N/A VAL 119.A N VAL 96.A O no hydrogen 2.707 N/A SER 120.A N VAL 96.A O no hydrogen 3.306 N/A SER 120.A OG ASP 91.A OD1 no hydrogen 2.564 N/A SER 120.A OG SER 94.A O no hydrogen 3.420 N/A MET 123.A N ASN 121.A OD1 no hydrogen 3.369 N/A ARG 125.A NE LEU 122.A O no hydrogen 2.662 N/A ARG 125.A NH1 GLN 77.A O no hydrogen 3.031 N/A ARG 125.A NH2 ASP 91.A O no hydrogen 2.556 N/A ARG 125.A NH2 LEU 122.A O no hydrogen 3.111 N/A ASN 126.A N ASP 74.A OD2 no hydrogen 2.790 N/A GLY 128.A N GLN 71.A O no hydrogen 2.847 N/A ILE 131.A N PRO 69.A O no hydrogen 2.858 N/A LYS 135.A NZ GLU 136.A OE2 no hydrogen 2.750 N/A GLY 137.A N ASP 134.A O no hydrogen 3.367 N/A ILE 142.A N VAL 111.A O no hydrogen 2.690 N/A CYS 143.A SG LYS 144.A O no hydrogen 3.441 N/A LEU 145.A N THR 109.A O no hydrogen 2.798 N/A ARG 146.A N GLN 149.A OE1 no hydrogen 3.392 N/A GLU 150.A N THR 53.A OG1 no hydrogen 2.864 N/A LEU 151.A N ALA 101.A O no hydrogen 2.809 N/A LYS 152.A N THR 51.A O no hydrogen 2.789 N/A LEU 153.A N LEU 99.A O no hydrogen 2.726 N/A THR 154.A N GLU 48.A O no hydrogen 2.869 N/A THR 154.A OG1 GLU 48.A O no hydrogen 3.426 N/A THR 154.A OG1 GLU 48.A OE2 no hydrogen 3.524 N/A CYS 155.A N LEU 97.A O no hydrogen 2.693 N/A VAL 156.A N SER 46.A O no hydrogen 2.792 N/A ALA 157.A N VAL 95.A O no hydrogen 2.735 N/A LYS 158.A N ALA 43.A O no hydrogen 2.811 N/A LYS 159.A NZ ILE 75.A O no hydrogen 3.496 N/A LYS 159.A NZ GLU 76.A OE1 no hydrogen 2.979 N/A LYS 159.A NZ LEU 78.A O no hydrogen 3.413 N/A GLY 160.A N THR 41.A O no hydrogen 2.895 N/A LYS 163.A NZ GLU 38.A OE1 no hydrogen 3.521 N/A GLU 164.A N ILE 161.A O no hydrogen 3.000 N/A LYS 167.A NZ ILE 44.A O no hydrogen 2.713 N/A LYS 167.A NZ ASP 45.A OD1 no hydrogen 3.035 N/A TRP 168.A N HIS 165.A O no hydrogen 3.051 N/A TRP 168.A NE1 LYS 158.A O no hydrogen 3.002 N/A GLY 169.A N ALA 166.A O no hydrogen 3.274 N/A GLU 175.A N ASN 229.A O no hydrogen 2.962 N/A GLU 177.A N TYR 227.A O no hydrogen 3.129 N/A TYR 178.A OH HIS 186.A ND1 no hydrogen 2.872 N/A TRP 181.A NE1 CYS 205.A O no hydrogen 3.173 N/A ASN 182.A N ASP 179.A O no hydrogen 3.068 N/A ASN 182.A ND2 THR 187.A O no hydrogen 2.453 N/A LYS 183.A N ASP 179.A OD1 no hydrogen 3.165 N/A LYS 183.A NZ ASP 209.A O no hydrogen 2.725 N/A LEU 184.A N ASP 179.A OD2 no hydrogen 2.929 N/A LYS 185.A N ASN 182.A O no hydrogen 3.069 N/A HIS 186.A N ASN 182.A OD1 no hydrogen 2.782 N/A HIS 186.A ND1 TYR 178.A OH no hydrogen 2.872 N/A GLU 192.A N GLU 198.A OE1 no hydrogen 2.685 N/A GLN 193.A N GLU 198.A OE2 no hydrogen 2.981 N/A ASP 194.A N GLU 198.A OE2 no hydrogen 2.765 N/A ALA 196.A N ASP 194.A OD1 no hydrogen 3.174 N/A LYS 197.A N ASP 194.A OD2 no hydrogen 3.096 N/A GLU 198.A N ASP 194.A O no hydrogen 3.042 N/A TRP 199.A N SER 195.A O no hydrogen 3.178 N/A TRP 199.A NE1 TRP 190.A O no hydrogen 2.706 N/A SER 202.A OG GLU 177.A OE1 no hydrogen 3.337 N/A SER 202.A OG GLU 177.A OE2 no hydrogen 2.599 N/A LYS 203.A NZ GLU 10.A OE1 no hydrogen 3.267 N/A ASN 204.A N SER 202.A OG no hydrogen 3.063 N/A ASN 204.A ND2 GLU 177.A OE2 no hydrogen 2.661 N/A CYS 205.A N SER 202.A O no hydrogen 3.227 N/A CYS 205.A SG PRO 180.A O no hydrogen 3.427 N/A GLU 208.A N CYS 205.A O no hydrogen 3.303 N/A ASN 212.A ND2 ASN 212.A O no hydrogen 3.075 N/A GLY 214.A N GLU 213.A OE1 no hydrogen 3.249 N/A ALA 221.A N ASP 218.A OD1 no hydrogen 2.928 N/A THR 225.A OG1 ASP 224.A OD2 no hydrogen 3.371 N/A PHE 226.A N LEU 20.A O no hydrogen 3.021 N/A TYR 227.A N GLU 177.A O no hydrogen 2.905 N/A TYR 227.A OH GLU 208.A OE1 no hydrogen 3.136 N/A MET 228.A N PHE 18.A O no hydrogen 2.917 N/A ASN 229.A N GLU 175.A O no hydrogen 3.258 N/A ASN 229.A ND2 ASN 15.A OD1 no hydrogen 2.712 N/A VAL 230.A N VAL 16.A O no hydrogen 2.889 N/A GLU 231.A N ALA 173.A O no hydrogen 3.329 N/A SER 232.A N ASP 14.A O no hydrogen 2.760 N/A SER 232.A OG ILE 236.A O no hydrogen 2.705 N/A VAL 233.A N PRO 170.A O no hydrogen 3.329 N/A VAL 241.A N PRO 237.A O no hydrogen 3.192 N/A VAL 241.A N VAL 238.A O no hydrogen 3.037 N/A VAL 242.A N VAL 238.A O no hydrogen 3.486 N/A VAL 243.A N ASP 239.A O no hydrogen 2.868 N/A ARG 244.A N GLN 240.A O no hydrogen 2.633 N/A ARG 244.A NH1 MET 73.A O no hydrogen 3.131 N/A ARG 244.A NH2 MET 73.A O no hydrogen 3.391 N/A GLY 245.A N VAL 241.A O no hydrogen 2.756 N/A ILE 246.A N VAL 242.A O no hydrogen 2.780 N/A ASP 247.A N VAL 243.A O no hydrogen 2.909 N/A THR 248.A N ARG 244.A O no hydrogen 2.785 N/A THR 248.A OG1 ARG 244.A O no hydrogen 3.193 N/A THR 248.A OG1 GLY 245.A O no hydrogen 3.447 N/A LEU 249.A N GLY 245.A O no hydrogen 3.196 N/A GLN 250.A N ILE 246.A O no hydrogen 2.947 N/A LYS 251.A N ASP 247.A O no hydrogen 2.828 N/A LYS 251.A NZ ASP 247.A OD2 no hydrogen 3.481 N/A LYS 252.A N THR 248.A O no hydrogen 3.011 N/A LYS 252.A NZ GLU 38.A OE1 no hydrogen 2.705 N/A VAL 253.A N LEU 249.A O no hydrogen 3.136 N/A ALA 254.A N GLN 250.A O no hydrogen 3.140 N/A SER 255.A N LYS 251.A O no hydrogen 2.964 N/A SER 255.A OG LYS 252.A O no hydrogen 2.768 N/A ILE 256.A N LYS 252.A O no hydrogen 3.340 N/A ILE 256.A N VAL 253.A O no hydrogen 3.034 N/A LEU 257.A N VAL 253.A O no hydrogen 3.072 N/A LEU 257.A N ALA 254.A O no hydrogen 3.266 N/A LEU 258.A N ALA 254.A O no hydrogen 2.856 N/A ALA 259.A N SER 255.A O no hydrogen 2.810 N/A THR 261.A OG1 LEU 257.A O no hydrogen 3.040 N/A THR 261.A OG1 LEU 258.A O no hydrogen 3.514 N/A GLN 262.A N ALA 259.A O no hydrogen 3.176 N/A ASP 264.A N LEU 260.A O no hydrogen 3.161 N/A