Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1i2k_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 3.A N LEU 104.A O no hydrogen 3.000 N/A ILE 4.A N HIS 7.A O no hydrogen 2.928 N/A ASN 5.A N ARG 102.A O no hydrogen 2.908 N/A HIS 7.A N ILE 4.A O no hydrogen 3.125 N/A HIS 7.A NE2 GLN 9.A OE1 no hydrogen 2.960 N/A GLN 9.A N PHE 2.A O no hydrogen 3.124 N/A GLN 9.A NE2 SER 11.A O no hydrogen 2.787 N/A SER 15.A OG SER 87.A OG no hydrogen 3.052 N/A ASP 16.A N ALA 13.A O no hydrogen 3.066 N/A ARG 17.A N GLY 86.A O no hydrogen 2.951 N/A ARG 17.A NE ASP 23.A OD2 no hydrogen 2.746 N/A ARG 17.A NH1 GLY 88.A O no hydrogen 3.131 N/A ARG 17.A NH1 SER 93.A O no hydrogen 3.133 N/A ARG 17.A NH2 ASP 23.A OD2 no hydrogen 2.882 N/A ARG 17.A NH2 TYR 92.A O no hydrogen 3.171 N/A ALA 18.A N ASP 16.A OD1 no hydrogen 2.917 N/A GLN 20.A N ASP 16.A O no hydrogen 3.161 N/A PHE 21.A N ARG 17.A O no hydrogen 3.021 N/A GLY 22.A N ALA 18.A O no hydrogen 2.940 N/A ASP 23.A N ARG 17.A O no hydrogen 2.968 N/A CYS 25.A N ILE 83.A O no hydrogen 2.919 N/A PHE 26.A N LYS 140.A O no hydrogen 3.000 N/A THR 27.A N VAL 81.A O no hydrogen 2.994 N/A THR 27.A OG1 HIS 42.A ND1 no hydrogen 2.688 N/A ALA 29.A N LEU 79.A O no hydrogen 2.804 N/A VAL 31.A N GLY 77.A O no hydrogen 2.968 N/A ILE 32.A N LYS 35.A O no hydrogen 3.018 N/A ASP 33.A N ASN 76.A OD1 no hydrogen 3.053 N/A GLY 34.A N GLN 75.A O no hydrogen 2.875 N/A LYS 35.A N ILE 32.A O no hydrogen 3.138 N/A SER 37.A N ARG 30.A O no hydrogen 2.792 N/A HIS 42.A N LEU 38.A O no hydrogen 3.175 N/A HIS 42.A ND1 THR 27.A OG1 no hydrogen 2.688 N/A ILE 43.A N LEU 39.A O no hydrogen 3.098 N/A GLN 44.A N SER 40.A O no hydrogen 2.930 N/A ARG 45.A N ALA 41.A O no hydrogen 2.823 N/A ARG 45.A NH1 THR 27.A OG1 no hydrogen 2.756 N/A LEU 46.A N HIS 42.A O no hydrogen 3.143 N/A GLN 47.A N ILE 43.A O no hydrogen 2.928 N/A ASP 48.A N GLN 44.A O no hydrogen 2.968 N/A ALA 49.A N ARG 45.A O no hydrogen 2.979 N/A CYS 50.A N LEU 46.A O no hydrogen 3.015 N/A CYS 50.A SG LEU 46.A O no hydrogen 3.491 N/A GLN 51.A N GLN 47.A O no hydrogen 2.919 N/A ARG 52.A N ASP 48.A O no hydrogen 3.010 N/A ARG 52.A NH1 ALA 137.A O no hydrogen 3.000 N/A ARG 52.A NH2 HIS 135.A O no hydrogen 3.414 N/A ARG 52.A NH2 ALA 137.A O no hydrogen 2.831 N/A LEU 53.A N ALA 49.A O no hydrogen 2.886 N/A MET 54.A N GLN 51.A O no hydrogen 3.120 N/A ILE 55.A N CYS 50.A O no hydrogen 2.786 N/A CYS 57.A SG ILE 55.A O no hydrogen 3.940 N/A LEU 63.A N PHE 59.A O no hydrogen 2.952 N/A GLU 64.A N TRP 60.A O no hydrogen 3.024 N/A GLN 65.A N PRO 61.A O no hydrogen 3.055 N/A GLU 66.A N GLN 62.A O no hydrogen 2.945 N/A MET 67.A N LEU 63.A O no hydrogen 2.887 N/A LYS 68.A N GLU 64.A O no hydrogen 3.087 N/A THR 69.A N GLN 65.A O no hydrogen 2.985 N/A THR 69.A OG1 GLN 65.A O no hydrogen 3.116 N/A LEU 70.A N GLU 66.A O no hydrogen 3.126 N/A ALA 71.A N MET 67.A O no hydrogen 3.027 N/A ALA 72.A N LYS 68.A O no hydrogen 2.985 N/A GLU 73.A N THR 69.A O no hydrogen 3.079 N/A GLN 74.A N LEU 70.A O no hydrogen 2.925 N/A GLN 74.A NE2 ASN 76.A O no hydrogen 3.018 N/A GLN 75.A N ALA 71.A O no hydrogen 2.908 N/A GLN 75.A NE2.A ALA 72.A O no hydrogen 2.727 N/A ASN 76.A N GLN 74.A O no hydrogen 2.711 N/A GLY 77.A N VAL 31.A O no hydrogen 2.992 N/A VAL 78.A N THR 107.A O no hydrogen 2.954 N/A LEU 79.A N ALA 29.A O no hydrogen 2.783 N/A LYS 80.A N SER 105.A O no hydrogen 2.915 N/A VAL 81.A N THR 27.A O no hydrogen 3.015 N/A VAL 82.A N ILE 103.A O no hydrogen 2.818 N/A ILE 83.A N CYS 25.A O no hydrogen 2.958 N/A SER 84.A N THR 101.A O no hydrogen 2.952 N/A SER 84.A OG ASP 16.A OD1 no hydrogen 2.687 N/A SER 84.A OG ASP 16.A OD2 no hydrogen 3.320 N/A ARG 85.A N ASP 23.A O no hydrogen 3.043 N/A ARG 85.A NE ASP 23.A OD1 no hydrogen 3.182 N/A ARG 85.A NE ASP 23.A OD2 no hydrogen 2.636 N/A ARG 85.A NH1 LEU 53.A O no hydrogen 3.145 N/A ARG 85.A NH1 MET 54.A O no hydrogen 3.306 N/A ARG 85.A NH2 ASP 23.A OD1 no hydrogen 2.857 N/A ARG 85.A NH2 LEU 53.A O no hydrogen 2.908 N/A GLY 86.A N SER 84.A OG no hydrogen 3.209 N/A SER 87.A OG SER 15.A OG no hydrogen 3.052 N/A SER 93.A N ARG 90.A O no hydrogen 2.953 N/A LEU 95.A N SER 93.A OG no hydrogen 3.015 N/A SER 97.A N THR 94.A O no hydrogen 3.278 N/A SER 97.A OG THR 94.A O no hydrogen 2.787 N/A GLY 98.A N SER 87.A O no hydrogen 2.842 N/A THR 101.A N SER 84.A O no hydrogen 2.950 N/A THR 101.A OG1 ASP 16.A OD2 no hydrogen 2.750 N/A ARG 102.A N ASN 5.A OD1 no hydrogen 3.025 N/A ARG 102.A NE GLU 66.A OE1 no hydrogen 2.835 N/A ARG 102.A NH2 GLU 66.A OE2 no hydrogen 2.832 N/A ILE 103.A N VAL 82.A O no hydrogen 2.914 N/A LEU 104.A N LEU 3.A O no hydrogen 2.871 N/A SER 105.A N LYS 80.A O no hydrogen 3.020 N/A THR 107.A N VAL 78.A O no hydrogen 2.971 N/A THR 107.A OG1 ALA 108.A O no hydrogen 3.268 N/A TYR 109.A OH LEU 238.A O no hydrogen 2.867 N/A ASP 114.A N ALA 111.A O no hydrogen 3.291 N/A ARG 115.A NE GLU 119.A OE1 no hydrogen 2.689 N/A ARG 115.A NH2 GLU 119.A OE1 no hydrogen 2.979 N/A LEU 116.A N HIS 112.A O no hydrogen 2.819 N/A ARG 117.A N TYR 113.A O no hydrogen 2.606 N/A ARG 117.A NH2 TYR 109.A OH no hydrogen 3.238 N/A ASN 118.A N ASP 114.A O no hydrogen 2.922 N/A GLU 119.A N ARG 115.A O no hydrogen 3.001 N/A GLU 119.A N LEU 116.A O no hydrogen 3.336 N/A GLY 120.A N LEU 116.A O no hydrogen 2.860 N/A ILE 121.A N PRO 243.A O no hydrogen 2.845 N/A THR 122.A N ASP 160.A OD2 no hydrogen 2.975 N/A LEU 123.A N ALA 246.A O no hydrogen 2.825 N/A ALA 124.A N GLU 161.A O no hydrogen 3.155 N/A SER 126.A N LEU 163.A O no hydrogen 2.928 N/A SER 126.A OG VAL 128.A O no hydrogen 3.211 N/A VAL 128.A N SER 126.A OG no hydrogen 3.076 N/A LEU 130.A N LEU 165.A O no hydrogen 2.960 N/A GLY 131.A N GLU 146.A OE2 no hydrogen 3.023 N/A ARG 132.A NH1 ASP 166.A OD2 no hydrogen 2.834 N/A ASN 133.A N GLN 194.A O no hydrogen 2.837 N/A HIS 135.A N ASN 133.A OD1 no hydrogen 2.925 N/A LEU 136.A N ASN 133.A O no hydrogen 2.964 N/A GLY 138.A N GLY 196.A O no hydrogen 2.737 N/A HIS 141.A N ILE 139.A O no hydrogen 2.896 N/A LEU 142.A N GLY 24.A O no hydrogen 2.919 N/A ASN 143.A N HIS 141.A ND1 no hydrogen 3.092 N/A ASN 143.A ND2 PHE 21.A O no hydrogen 3.190 N/A ARG 144.A NE GLN 147.A OE1 no hydrogen 2.848 N/A ARG 144.A NH1 ILE 139.A O no hydrogen 3.465 N/A ARG 144.A NH1 HIS 141.A O no hydrogen 2.978 N/A VAL 148.A N ARG 144.A O no hydrogen 3.005 N/A LEU 149.A N LEU 145.A O no hydrogen 2.963 N/A ILE 150.A N GLU 146.A O no hydrogen 2.946 N/A ARG 151.A N GLN 147.A O no hydrogen 2.916 N/A ARG 151.A NE GLU 155.A OE2 no hydrogen 3.278 N/A SER 152.A N VAL 148.A O no hydrogen 3.070 N/A SER 152.A OG.B VAL 148.A O no hydrogen 3.133 N/A HIS 153.A N LEU 149.A O no hydrogen 3.006 N/A LEU 154.A N ILE 150.A O no hydrogen 2.961 N/A GLU 155.A N ARG 151.A O no hydrogen 2.984 N/A GLN 156.A N HIS 153.A O no hydrogen 3.149 N/A THR 157.A N LEU 154.A O no hydrogen 3.055 N/A THR 157.A OG1 LEU 154.A O no hydrogen 2.673 N/A ALA 159.A N THR 157.A OG1 no hydrogen 3.105 N/A ASP 160.A N THR 122.A O no hydrogen 2.772 N/A GLU 161.A N THR 122.A O no hydrogen 3.234 N/A ALA 162.A N GLU 161.A OE1 no hydrogen 2.850 N/A LEU 163.A N ALA 124.A O no hydrogen 2.995 N/A VAL 164.A N GLU 173.A O no hydrogen 2.742 N/A ASP 166.A N TRP 170.A O no hydrogen 2.844 N/A GLU 168.A N ASP 166.A OD1 no hydrogen 2.801 N/A GLY 169.A N ASP 166.A O no hydrogen 2.915 N/A TRP 170.A N ASP 166.A OD1 no hydrogen 3.178 N/A VAL 171.A N ALA 221.A O no hydrogen 3.010 N/A THR 172.A N VAL 164.A O no hydrogen 2.801 N/A THR 172.A OG1 TRP 170.A O no hydrogen 2.978 N/A GLU 173.A N VAL 164.A O no hydrogen 3.262 N/A CYS 174.A N ALA 177.A O no hydrogen 2.990 N/A CYS 175.A N GLU 161.A OE1 no hydrogen 2.833 N/A CYS 175.A SG GLN 147.A O no hydrogen 3.517 N/A ALA 176.A N GLU 161.A OE2 no hydrogen 2.990 N/A ASN 178.A N CYS 235.A O no hydrogen 2.880 N/A ASN 178.A ND2 VAL 197.A O no hydrogen 2.952 N/A PHE 180.A N VAL 233.A O no hydrogen 2.978 N/A TRP 181.A N TYR 188.A O no hydrogen 2.816 N/A ARG 182.A N GLU 231.A O no hydrogen 2.866 N/A ARG 182.A NE GLU 231.A OE1 no hydrogen 3.156 N/A ARG 182.A NH1 GLY 184.A O no hydrogen 2.757 N/A ARG 182.A NH2 GLU 231.A OE1 no hydrogen 3.279 N/A LYS 183.A N VAL 186.A O no hydrogen 3.042 N/A LYS 183.A NZ GLN 228.A OE1 no hydrogen 3.441 N/A GLY 184.A N ASP 230.A OD2 no hydrogen 3.176 N/A ASN 185.A ND2 SER 213.A O no hydrogen 2.921 N/A ASN 185.A ND2 GLN 215.A OE1.B no hydrogen 3.248 N/A VAL 186.A N LYS 183.A O no hydrogen 2.979 N/A VAL 187.A N GLN 215.A O no hydrogen 2.607 N/A TYR 188.A N TRP 181.A O no hydrogen 2.827 N/A THR 189.A N VAL 217.A O no hydrogen 3.071 N/A THR 189.A OG1 LEU 179.A O no hydrogen 2.793 N/A ARG 191.A N VAL 219.A O no hydrogen 2.957 N/A VAL 197.A N GLU 173.A OE1 no hydrogen 3.068 N/A ASN 198.A N GLY 138.A O no hydrogen 2.777 N/A GLY 199.A N ASN 178.A OD1 no hydrogen 3.130 N/A ARG 202.A NH1 ASN 198.A OD1 no hydrogen 2.987 N/A ARG 202.A NH2 PRO 190.A O no hydrogen 2.954 N/A ARG 202.A NH2 GLU 218.A OE1 no hydrogen 3.164 N/A GLN 203.A N GLY 199.A O no hydrogen 3.039 N/A GLN 203.A NE2 ASN 198.A O no hydrogen 2.931 N/A GLN 203.A NE2 GLY 199.A O no hydrogen 3.215 N/A PHE 204.A N ILE 200.A O no hydrogen 3.068 N/A CYS 205.A N MET 201.A O no hydrogen 2.898 N/A CYS 205.A SG MET 201.A O no hydrogen 3.570 N/A ILE 206.A N ARG 202.A O no hydrogen 2.875 N/A ARG 207.A N GLN 203.A O no hydrogen 3.053 N/A LEU 208.A N PHE 204.A O no hydrogen 2.896 N/A LEU 209.A N CYS 205.A O no hydrogen 2.799 N/A ALA 210.A N ILE 206.A O no hydrogen 2.695 N/A GLN 211.A N ARG 207.A O no hydrogen 3.281 N/A GLN 211.A NE2 LEU 208.A O no hydrogen 2.823 N/A SER 212.A N LEU 208.A O no hydrogen 3.060 N/A SER 212.A N LEU 209.A O no hydrogen 3.174 N/A SER 212.A OG LEU 209.A O no hydrogen 2.618 N/A TYR 214.A N SER 212.A OG no hydrogen 3.020 N/A GLN 215.A N ASN 185.A O no hydrogen 2.861 N/A VAL 217.A N VAL 187.A O no hydrogen 2.751 N/A VAL 219.A N THR 189.A O no hydrogen 2.927 N/A SER 222.A OG GLU 224.A OE2 no hydrogen 2.530 N/A GLU 225.A N SER 222.A OG no hydrogen 3.233 N/A SER 226.A N SER 222.A O no hydrogen 3.204 N/A SER 226.A OG LEU 223.A O no hydrogen 3.036 N/A LEU 227.A N LEU 223.A O no hydrogen 3.046 N/A GLN 228.A N GLU 225.A O no hydrogen 3.204 N/A ALA 229.A N SER 226.A O no hydrogen 3.294 N/A ASP 230.A N ARG 182.A O no hydrogen 2.756 N/A VAL 233.A N PHE 180.A O no hydrogen 2.989 N/A ILE 234.A N MET 242.A O no hydrogen 3.128 N/A CYS 235.A N ASN 178.A O no hydrogen 3.027 N/A ASN 236.A N PRO 240.A O no hydrogen 2.957 N/A ASN 236.A ND2 ALA 176.A O no hydrogen 3.049 N/A LEU 238.A N ASN 236.A OD1 no hydrogen 2.835 N/A MET 239.A N ASN 236.A OD1 no hydrogen 2.852 N/A MET 242.A N ILE 234.A O no hydrogen 3.000 N/A VAL 244.A N MET 232.A O no hydrogen 3.137 N/A CYS 245.A N ILE 121.A O no hydrogen 2.891 N/A CYS 245.A SG.A GLU 119.A O no hydrogen 3.395 N/A CYS 245.A SG.B ILE 121.A O no hydrogen 3.272 N/A CYS 245.A SG.B THR 122.A OG1 no hydrogen 3.541 N/A CYS 247.A N VAL 250.A O no hydrogen 3.186 N/A CYS 247.A SG LEU 123.A O no hydrogen 3.867 N/A PHE 252.A N CYS 245.A O no hydrogen 3.014 N/A THR 256.A N SER 254.A OG no hydrogen 3.231 N/A LEU 257.A N GLU 231.A OE1 no hydrogen 2.815 N/A TYR 258.A N GLU 231.A OE2 no hydrogen 2.893 N/A GLU 259.A N ALA 255.A O no hydrogen 2.727 N/A TYR 260.A N THR 256.A O no hydrogen 3.128 N/A TYR 260.A N LEU 257.A O no hydrogen 3.112 N/A LEU 261.A N LEU 257.A O no hydrogen 2.991 N/A ALA 262.A N TYR 258.A O no hydrogen 3.065 N/A CYS 265.A N LEU 261.A O no hydrogen 3.023 N/A CYS 265.A SG LEU 261.A O no hydrogen 3.373 N/A GLU 266.A N ALA 262.A O no hydrogen 2.915 N/A