Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1q1k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N PRO 43.A O no hydrogen 3.011 N/A ARG 4.A N ASP 64.A OD2 no hydrogen 3.001 N/A ILE 5.A N ASP 45.A O no hydrogen 2.783 N/A ALA 6.A N LEU 65.A O no hydrogen 2.758 N/A MET 7.A N LEU 47.A O no hydrogen 2.804 N/A LYS 9.A N VAL 49.A O no hydrogen 2.839 N/A GLY 11.A N SER 14.A OG no hydrogen 2.661 N/A LEU 13.A N GLN 8.A OE1 no hydrogen 2.752 N/A SER 14.A N GLN 8.A OE1 no hydrogen 3.141 N/A SER 14.A OG GLY 11.A O no hydrogen 3.150 N/A SER 17.A N LEU 13.A O no hydrogen 2.923 N/A SER 17.A OG LEU 13.A O no hydrogen 2.684 N/A ARG 18.A N SER 14.A O no hydrogen 2.666 N/A GLU 19.A N ASP 15.A O no hydrogen 2.899 N/A LEU 20.A N ASP 16.A O no hydrogen 2.785 N/A LEU 21.A N SER 17.A O no hydrogen 3.415 N/A ALA 22.A N ARG 18.A O no hydrogen 2.924 N/A ARG 23.A N GLU 19.A O no hydrogen 2.774 N/A ARG 23.A NE GLU 19.A OE2 no hydrogen 2.926 N/A ARG 23.A NH1 GLU 19.A OE2 no hydrogen 3.169 N/A CYS 24.A N LEU 20.A O no hydrogen 2.984 N/A CYS 24.A N LEU 21.A O no hydrogen 3.097 N/A CYS 24.A SG LEU 20.A O no hydrogen 3.480 N/A GLY 25.A N ALA 22.A O no hydrogen 2.885 N/A ILE 26.A N LEU 21.A O no hydrogen 2.865 N/A ASN 29.A ND2 HIS 31.A O no hydrogen 3.130 N/A HIS 31.A N ASN 29.A OD1 no hydrogen 2.752 N/A ARG 34.A N THR 32.A OG1 no hydrogen 3.005 N/A ARG 34.A NH1 ILE 36.A O no hydrogen 3.347 N/A ALA 37.A N ILE 46.A O no hydrogen 2.792 N/A ALA 39.A N ILE 44.A O no hydrogen 2.815 N/A GLU 40.A N LYS 27.A O no hydrogen 3.080 N/A MET 42.A N ASN 41.A OD1 no hydrogen 2.620 N/A ILE 44.A N MET 42.A O no hydrogen 2.715 N/A ASP 45.A N LEU 3.A O no hydrogen 2.586 N/A ILE 46.A N ALA 37.A O no hydrogen 2.845 N/A LEU 47.A N ILE 5.A O no hydrogen 2.744 N/A ARG 48.A N LEU 35.A O no hydrogen 2.559 N/A ARG 48.A NE ARG 34.A O no hydrogen 2.998 N/A ARG 48.A NH1 LYS 9.A O no hydrogen 3.541 N/A ARG 48.A NH2 THR 32.A O no hydrogen 3.230 N/A VAL 49.A N MET 7.A O no hydrogen 2.819 N/A ASP 52.A N ASP 51.A OD1 no hydrogen 2.644 N/A ASP 53.A N ARG 50.A O no hydrogen 2.665 N/A ILE 54.A N ASP 51.A O no hydrogen 2.896 N/A LEU 57.A N ASP 53.A O no hydrogen 2.925 N/A VAL 58.A N ILE 54.A O no hydrogen 2.999 N/A MET 59.A N PRO 55.A O no hydrogen 2.651 N/A ASP 60.A N GLY 56.A O no hydrogen 2.707 N/A GLY 61.A N LEU 57.A O no hydrogen 3.093 N/A GLY 61.A N VAL 58.A O no hydrogen 2.906 N/A ASP 64.A N ARG 4.A O no hydrogen 2.877 N/A LEU 65.A N ARG 4.A O no hydrogen 2.847 N/A GLY 66.A N ILE 192.A O no hydrogen 3.062 N/A ILE 67.A N ALA 6.A O no hydrogen 3.313 N/A ILE 68.A N CYS 190.A O no hydrogen 3.122 N/A GLU 70.A N LYS 188.A O no hydrogen 2.999 N/A ASN 71.A N SER 187.A OG no hydrogen 3.264 N/A LEU 73.A N GLY 69.A O no hydrogen 3.040 N/A GLU 74.A N GLU 70.A O no hydrogen 2.613 N/A GLU 75.A N ASN 71.A O no hydrogen 2.790 N/A GLU 76.A N VAL 72.A O no hydrogen 3.273 N/A LEU 77.A N LEU 73.A O no hydrogen 3.032 N/A LEU 78.A N GLU 74.A O no hydrogen 2.822 N/A ASN 79.A N GLU 75.A O no hydrogen 2.849 N/A ASN 79.A ND2 GLU 76.A OE1 no hydrogen 3.280 N/A ARG 80.A N GLU 76.A O no hydrogen 2.950 N/A ARG 80.A NE GLU 76.A OE2 no hydrogen 2.769 N/A ARG 80.A NH1 ASP 60.A OD2 no hydrogen 3.333 N/A ARG 80.A NH2 ASP 60.A OD1 no hydrogen 2.571 N/A ARG 81.A N LEU 77.A O no hydrogen 2.994 N/A ALA 82.A N LEU 78.A O no hydrogen 2.804 N/A GLN 83.A N ASN 79.A O no hydrogen 3.063 N/A GLY 84.A N ARG 80.A O no hydrogen 2.814 N/A GLY 84.A N ARG 81.A O no hydrogen 2.961 N/A GLU 85.A N ARG 80.A O no hydrogen 3.064 N/A PHE 90.A N GLN 193.A O no hydrogen 2.930 N/A LEU 92.A N LEU 191.A O no hydrogen 2.736 N/A ARG 93.A N LEU 191.A O no hydrogen 3.332 N/A ARG 93.A NE ARG 94.A O no hydrogen 3.252 N/A ARG 93.A NH1 GLN 214.A OE1 no hydrogen 3.561 N/A ARG 93.A NH2 GLN 214.A OE1 no hydrogen 2.913 N/A ARG 94.A NE GLU 70.A OE1 no hydrogen 3.001 N/A ARG 94.A NE GLU 70.A OE2 no hydrogen 3.119 N/A ARG 94.A NH1 GLU 70.A OE1 no hydrogen 3.439 N/A LEU 95.A N ALA 189.A O no hydrogen 2.930 N/A CYS 100.A N SER 187.A O no hydrogen 3.095 N/A CYS 100.A SG GLY 98.A O no hydrogen 4.029 N/A ARG 101.A NE GLU 180.A OE1 no hydrogen 3.156 N/A ARG 101.A NE GLU 180.A OE2 no hydrogen 2.558 N/A ARG 101.A NH1 SER 168.A O no hydrogen 3.488 N/A ARG 101.A NH2 SER 168.A O no hydrogen 3.325 N/A ARG 101.A NH2 GLU 180.A OE1 no hydrogen 2.592 N/A LEU 102.A N TYR 185.A O no hydrogen 2.790 N/A SER 103.A N ASP 165.A O no hydrogen 2.799 N/A SER 103.A OG GLU 180.A OE2 no hydrogen 2.555 N/A LEU 104.A N GLU 182.A O no hydrogen 2.789 N/A ALA 105.A N ILE 163.A O no hydrogen 2.879 N/A THR 106.A N ARG 179.A O no hydrogen 3.269 N/A THR 106.A OG1 PRO 107.A O no hydrogen 3.512 N/A VAL 108.A N GLY 177.A O no hydrogen 2.762 N/A GLU 110.A N PRO 107.A O no hydrogen 3.412 N/A SER 117.A OG GLY 114.A O no hydrogen 2.810 N/A LEU 118.A N PRO 115.A O no hydrogen 2.759 N/A ASN 119.A N LEU 116.A O no hydrogen 2.702 N/A GLY 120.A N SER 141.A O no hydrogen 2.663 N/A LYS 121.A N LEU 118.A O no hydrogen 2.914 N/A ARG 122.A N ASP 161.A OD2 no hydrogen 3.026 N/A ILE 123.A N LYS 143.A O no hydrogen 2.786 N/A ALA 124.A N ALA 162.A O no hydrogen 3.014 N/A THR 125.A N CYS 145.A O no hydrogen 2.955 N/A THR 125.A OG1 CYS 164.A O no hydrogen 2.338 N/A SER 126.A OG LEU 147.A O no hydrogen 2.687 N/A HIS 129.A N GLU 75.A OE2 no hydrogen 2.934 N/A HIS 129.A ND1 GLU 75.A OE2 no hydrogen 2.840 N/A LEU 130.A N GLU 75.A OE1 no hydrogen 2.869 N/A LEU 131.A N TYR 127.A O no hydrogen 3.041 N/A LYS 132.A N PRO 128.A O no hydrogen 2.689 N/A LYS 132.A NZ ASP 136.A OD2 no hydrogen 3.199 N/A ARG 133.A N HIS 129.A O no hydrogen 2.913 N/A ARG 133.A NH1 GLU 74.A OE1 no hydrogen 3.187 N/A ARG 133.A NH2 GLU 74.A OE1 no hydrogen 3.329 N/A TYR 134.A N LEU 130.A O no hydrogen 3.058 N/A LEU 135.A N LEU 131.A O no hydrogen 2.959 N/A ASP 136.A N LYS 132.A O no hydrogen 2.767 N/A GLN 137.A N ARG 133.A O no hydrogen 3.020 N/A LYS 138.A N TYR 134.A O no hydrogen 3.126 N/A LYS 138.A NZ TYR 134.A OH no hydrogen 2.886 N/A GLY 139.A N ASP 136.A O no hydrogen 2.798 N/A SER 141.A N ASN 119.A OD1 no hydrogen 3.225 N/A LYS 143.A N LYS 121.A O no hydrogen 2.792 N/A CYS 145.A N ILE 123.A O no hydrogen 2.933 N/A CYS 145.A SG LEU 159.A O no hydrogen 3.982 N/A LEU 147.A N THR 125.A O no hydrogen 3.090 N/A GLU 152.A N GLU 152.A OE1 no hydrogen 2.929 N/A VAL 153.A N SER 150.A O no hydrogen 3.164 N/A ALA 154.A N VAL 151.A O no hydrogen 3.319 N/A ARG 156.A NH2 ALA 175.A O no hydrogen 3.281 N/A ALA 157.A N ALA 154.A O no hydrogen 3.247 N/A GLY 158.A N PRO 155.A O no hydrogen 2.783 N/A LEU 159.A N ALA 154.A O no hydrogen 2.778 N/A ALA 160.A N ALA 154.A O no hydrogen 3.268 N/A ASP 161.A N ARG 122.A O no hydrogen 2.806 N/A ALA 162.A N ARG 122.A O no hydrogen 3.296 N/A ILE 163.A N ALA 105.A O no hydrogen 3.051 N/A CYS 164.A N ALA 124.A O no hydrogen 3.075 N/A CYS 164.A SG SER 103.A O no hydrogen 3.845 N/A ASP 165.A N SER 103.A O no hydrogen 2.976 N/A LEU 166.A N ASP 165.A OD1 no hydrogen 2.570 N/A VAL 167.A N ARG 101.A O no hydrogen 2.978 N/A ALA 171.A N THR 169.A OG1 no hydrogen 2.862 N/A GLU 174.A N GLY 170.A O no hydrogen 3.476 N/A ALA 175.A N ALA 171.A O no hydrogen 3.097 N/A ASN 176.A N THR 172.A O no hydrogen 2.811 N/A ASN 176.A N LEU 173.A O no hydrogen 2.780 N/A ASN 176.A ND2 THR 172.A O no hydrogen 3.213 N/A GLY 177.A N GLU 174.A O no hydrogen 2.757 N/A LEU 178.A N LEU 173.A O no hydrogen 2.788 N/A ARG 179.A N THR 106.A O no hydrogen 3.199 N/A ARG 179.A NH1 GLU 110.A O no hydrogen 2.744 N/A ARG 179.A NH2 PRO 107.A O no hydrogen 3.216 N/A GLU 182.A N LEU 104.A O no hydrogen 3.406 N/A ILE 184.A N LEU 102.A O no hydrogen 2.825 N/A SER 187.A N CYS 100.A O no hydrogen 2.703 N/A SER 187.A OG ASN 71.A OD1 no hydrogen 3.354 N/A SER 187.A OG LYS 188.A O no hydrogen 3.456 N/A LYS 188.A N GLU 70.A OE1 no hydrogen 2.895 N/A ALA 189.A N PHE 97.A O no hydrogen 2.824 N/A CYS 190.A N ILE 68.A O no hydrogen 2.768 N/A CYS 190.A SG ILE 68.A O no hydrogen 3.412 N/A LEU 191.A N ARG 93.A O no hydrogen 2.771 N/A ILE 192.A N GLY 66.A O no hydrogen 2.716 N/A GLN 193.A N PHE 90.A O no hydrogen 2.675 N/A GLN 193.A NE2 GLN 203.A OE1 no hydrogen 3.568 N/A ARG 194.A N ASP 64.A O no hydrogen 2.847 N/A ARG 194.A NH1 GLU 197.A O no hydrogen 2.998 N/A SER 201.A N GLU 199.A OE2 no hydrogen 3.292 N/A LYS 202.A NZ ASP 64.A OD2 no hydrogen 3.253 N/A GLN 203.A N GLU 199.A O no hydrogen 2.934 N/A GLN 203.A NE2 GLN 193.A OE1 no hydrogen 3.562 N/A GLN 203.A NE2 ASP 207.A OD1 no hydrogen 3.189 N/A GLN 204.A N GLU 200.A O no hydrogen 3.071 N/A GLN 204.A NE2 GLU 200.A O no hydrogen 3.373 N/A LEU 205.A N SER 201.A O no hydrogen 3.316 N/A ILE 206.A N LYS 202.A O no hydrogen 2.808 N/A ASP 207.A N GLN 203.A O no hydrogen 2.833 N/A LYS 208.A N GLN 204.A O no hydrogen 3.023 N/A LEU 209.A N LEU 205.A O no hydrogen 2.980 N/A LEU 210.A N ILE 206.A O no hydrogen 2.833 N/A THR 211.A N ASP 207.A O no hydrogen 3.221 N/A THR 211.A OG1 ASP 207.A O no hydrogen 3.352 N/A ARG 212.A N LYS 208.A O no hydrogen 3.126 N/A ARG 212.A NE CYS 24.A O no hydrogen 3.005 N/A ILE 213.A N LEU 209.A O no hydrogen 2.936 N/A GLN 214.A N LEU 210.A O no hydrogen 2.944 N/A GLY 215.A N THR 211.A O no hydrogen 3.113 N/A VAL 216.A N ARG 212.A O no hydrogen 2.714 N/A ILE 217.A N ILE 213.A O no hydrogen 2.948 N/A GLN 218.A N GLN 214.A O no hydrogen 2.794 N/A GLN 218.A NE2 MET 287.A O no hydrogen 3.182 N/A GLN 218.A NE2 GLU 288.A OE1 no hydrogen 3.067 N/A ALA 219.A N GLY 215.A O no hydrogen 3.006 N/A ARG 220.A N VAL 216.A O no hydrogen 3.282 N/A ARG 220.A NE ASP 96.A OD2 no hydrogen 2.725 N/A ARG 220.A NH2 ASP 96.A OD1 no hydrogen 2.738 N/A ARG 220.A NH2 ASP 96.A OD2 no hydrogen 3.412 N/A GLU 221.A N ILE 217.A O no hydrogen 2.986 N/A GLU 221.A N GLN 218.A O no hydrogen 3.146 N/A SER 222.A N GLN 218.A O no hydrogen 2.613 N/A SER 222.A OG GLN 218.A O no hydrogen 2.846 N/A LYS 223.A N SER 258.A O no hydrogen 2.853 N/A TYR 224.A N LEU 281.A O no hydrogen 3.161 N/A ILE 225.A N MET 256.A O no hydrogen 2.902 N/A MET 226.A N LEU 279.A O no hydrogen 3.067 N/A HIS 228.A ND1 MET 227.A O no hydrogen 3.081 N/A LEU 234.A N GLU 232.A O no hydrogen 2.765 N/A LEU 241.A N ILE 238.A O no hydrogen 3.265 N/A THR 248.A OG1 HIS 255.A O no hydrogen 3.251 N/A LEU 250.A N ALA 253.A O no hydrogen 3.059 N/A MET 254.A N MET 227.A O no hydrogen 2.999 N/A HIS 255.A N THR 248.A O no hydrogen 3.208 N/A MET 256.A N ILE 225.A O no hydrogen 3.216 N/A SER 258.A N LYS 223.A O no hydrogen 2.659 N/A SER 258.A OG GLU 260.A O no hydrogen 2.967 N/A SER 259.A OG PRO 242.A O no hydrogen 3.450 N/A MET 267.A N PHE 263.A O no hydrogen 3.126 N/A GLU 268.A N TRP 264.A O no hydrogen 2.792 N/A LYS 269.A N GLU 265.A O no hydrogen 2.969 N/A LYS 269.A NZ GLU 265.A OE2 no hydrogen 2.977 N/A LEU 270.A N THR 266.A O no hydrogen 3.382 N/A LYS 271.A N MET 267.A O no hydrogen 3.029 N/A ALA 272.A N GLU 268.A O no hydrogen 2.977 N/A GLY 274.A N LYS 271.A O no hydrogen 2.600 N/A ALA 275.A N LEU 270.A O no hydrogen 2.857 N/A LEU 279.A N MET 226.A O no hydrogen 2.975 N/A LEU 281.A N TYR 224.A O no hydrogen 2.726 N/A