Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 1kgq_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LEU 4.A N MET 1.A O no hydrogen 3.328 N/A GLN 5.A N MET 1.A O no hydrogen 2.580 N/A GLN 5.A NE2 GLU 9.A OE2 no hydrogen 3.065 N/A ASN 6.A N GLN 2.A O no hydrogen 2.877 N/A ASN 6.A ND2 GLN 2.A O no hydrogen 3.000 N/A ILE 8.A N LEU 4.A O no hydrogen 3.076 N/A GLU 9.A N GLN 5.A O no hydrogen 3.106 N/A SER 10.A N ASN 6.A O no hydrogen 3.109 N/A SER 10.A N VAL 7.A O no hydrogen 3.106 N/A SER 10.A OG ASN 6.A O no hydrogen 2.590 N/A ALA 11.A N VAL 7.A O no hydrogen 3.104 N/A PHE 12.A N ILE 8.A O no hydrogen 3.140 N/A GLU 13.A N SER 10.A O no hydrogen 3.225 N/A ARG 14.A N ALA 11.A O no hydrogen 2.584 N/A ARG 15.A N PHE 12.A O no hydrogen 3.115 N/A ARG 15.A NH1 PHE 12.A O no hydrogen 3.210 N/A ASP 17.A N ARG 14.A O no hydrogen 2.928 N/A ILE 18.A N ARG 15.A O no hydrogen 3.333 N/A THR 19.A N ASN 22.A OD1 no hydrogen 2.668 N/A ALA 21.A N THR 19.A OG1 no hydrogen 3.134 N/A ASN 22.A N THR 19.A OG1 no hydrogen 3.218 N/A ASN 22.A ND2 ASP 17.A O no hydrogen 2.403 N/A VAL 23.A N THR 19.A O no hydrogen 3.114 N/A THR 27.A N ASP 24.A OD1 no hydrogen 2.823 N/A THR 27.A OG1 ASP 24.A OD1 no hydrogen 3.329 N/A THR 27.A OG1 ASP 24.A OD2 no hydrogen 3.337 N/A ARG 28.A N ASP 24.A O no hydrogen 3.166 N/A GLU 29.A N THR 25.A O no hydrogen 2.969 N/A ALA 30.A N VAL 26.A O no hydrogen 2.970 N/A VAL 31.A N THR 27.A O no hydrogen 3.059 N/A ASN 32.A N ARG 28.A O no hydrogen 2.968 N/A GLN 33.A N GLU 29.A O no hydrogen 2.931 N/A VAL 34.A N ALA 30.A O no hydrogen 2.867 N/A ILE 35.A N VAL 31.A O no hydrogen 3.020 N/A GLY 36.A N ASN 32.A O no hydrogen 3.116 N/A LEU 37.A N VAL 34.A O no hydrogen 3.303 N/A LEU 38.A N VAL 34.A O no hydrogen 3.154 N/A ASP 39.A N ILE 35.A O no hydrogen 3.030 N/A SER 40.A OG GLY 36.A O no hydrogen 3.136 N/A GLY 41.A N LEU 38.A O no hydrogen 3.248 N/A LEU 43.A N LEU 37.A O no hydrogen 3.151 N/A ARG 44.A NE ALA 46.A O no hydrogen 2.881 N/A ARG 44.A NE GLN 151.A OE1 no hydrogen 3.101 N/A ARG 44.A NH2 GLN 151.A OE1 no hydrogen 2.840 N/A GLU 47.A N VAL 54.A O no hydrogen 3.050 N/A LYS 48.A NZ GLU 179.A OE2 no hydrogen 3.108 N/A ILE 49.A N GLN 52.A O no hydrogen 2.681 N/A GLN 52.A N ILE 49.A O no hydrogen 2.807 N/A TRP 53.A NE1 GLU 179.A OE2 no hydrogen 2.869 N/A VAL 54.A N GLU 47.A O no hydrogen 2.579 N/A THR 55.A OG1 ASN 174.A OD1 no hydrogen 3.113 N/A HIS 56.A N VAL 45.A O no hydrogen 2.879 N/A GLN 57.A NE2 ALA 173.A O no hydrogen 3.167 N/A LEU 59.A N HIS 56.A O no hydrogen 2.718 N/A LYS 60.A NZ GLN 57.A OE1 no hydrogen 3.151 N/A LYS 60.A NZ GLN 172.A O no hydrogen 2.758 N/A LYS 60.A NZ ALA 173.A O no hydrogen 3.079 N/A LYS 61.A N GLN 57.A O no hydrogen 2.920 N/A ALA 62.A N TRP 58.A O no hydrogen 3.219 N/A VAL 63.A N LEU 59.A O no hydrogen 3.184 N/A LEU 64.A N LYS 60.A O no hydrogen 2.970 N/A LEU 65.A N LYS 61.A O no hydrogen 2.972 N/A SER 66.A N ALA 62.A O no hydrogen 3.002 N/A SER 66.A N VAL 63.A O no hydrogen 3.038 N/A SER 66.A OG VAL 63.A O no hydrogen 2.274 N/A PHE 67.A N LEU 64.A O no hydrogen 3.140 N/A ARG 68.A N LEU 65.A O no hydrogen 2.826 N/A ARG 68.A NE ILE 18.A O no hydrogen 3.358 N/A ARG 68.A NH2 ILE 18.A O no hydrogen 3.145 N/A ILE 69.A N LEU 65.A O no hydrogen 3.097 N/A ASN 70.A N SER 66.A O no hydrogen 3.186 N/A ASN 70.A ND2 SER 66.A O no hydrogen 2.641 N/A LYS 73.A N ASP 84.A O no hydrogen 3.008 N/A MET 75.A N TYR 82.A O no hydrogen 2.642 N/A GLU 79.A N GLU 79.A OE1 no hydrogen 2.602 N/A TYR 82.A N MET 75.A O no hydrogen 2.844 N/A ASP 84.A N LYS 73.A O no hydrogen 3.271 N/A LYS 85.A NZ PHE 67.A O no hydrogen 2.999 N/A LYS 89.A N VAL 111.A O no hydrogen 2.954 N/A LYS 89.A NZ ASP 39.A O no hydrogen 3.084 N/A LYS 89.A NZ ASP 39.A OD1 no hydrogen 3.364 N/A LYS 89.A NZ ALA 115.A O no hydrogen 2.490 N/A ALA 91.A N MET 88.A O no hydrogen 3.310 N/A TYR 93.A N PHE 90.A O no hydrogen 3.169 N/A ARG 97.A N ASP 94.A OD1 no hydrogen 3.035 N/A ARG 97.A NE GLU 101.A OE1 no hydrogen 2.750 N/A ARG 97.A NH2 GLU 101.A OE1 no hydrogen 3.282 N/A PHE 98.A N ASP 94.A O no hydrogen 3.050 N/A GLN 99.A N GLU 95.A O no hydrogen 2.688 N/A GLN 99.A NE2 GLU 95.A O no hydrogen 3.181 N/A LYS 100.A N ALA 96.A O no hydrogen 2.728 N/A GLU 101.A N ARG 97.A O no hydrogen 2.668 N/A GLY 102.A N PHE 98.A O no hydrogen 2.837 N/A ARG 104.A N THR 121.A O no hydrogen 2.841 N/A ARG 104.A NH2 LEU 270.A O no hydrogen 3.255 N/A VAL 106.A N LEU 123.A O no hydrogen 2.928 N/A ALA 109.A N VAL 106.A O no hydrogen 2.620 N/A THR 110.A N SER 126.A O no hydrogen 2.978 N/A THR 110.A OG1 PRO 108.A O no hydrogen 3.021 N/A ARG 112.A N VAL 128.A O no hydrogen 3.026 N/A ARG 112.A NH1 ASN 129.A OD1 no hydrogen 2.866 N/A ARG 112.A NH2 ASP 84.A OD2 no hydrogen 2.962 N/A GLN 113.A N PRO 87.A O no hydrogen 2.952 N/A GLY 114.A N ASP 39.A OD1 no hydrogen 2.630 N/A PHE 116.A N ALA 132.A O no hydrogen 2.660 N/A ALA 118.A N VAL 134.A O no hydrogen 2.889 N/A ARG 119.A NH1 ASP 274.A OXT no hydrogen 3.203 N/A ASN 120.A N GLY 102.A O no hydrogen 2.523 N/A THR 121.A OG1 ALA 118.A O no hydrogen 2.928 N/A VAL 122.A N THR 138.A O no hydrogen 3.070 N/A LEU 123.A N ARG 104.A O no hydrogen 2.766 N/A MET 124.A N VAL 140.A O no hydrogen 2.717 N/A SER 126.A OG MET 124.A O no hydrogen 2.748 N/A TYR 127.A N ALA 144.A O no hydrogen 3.238 N/A VAL 128.A N THR 110.A O no hydrogen 3.140 N/A ASN 129.A N VAL 146.A O no hydrogen 3.063 N/A ILE 130.A N ASN 129.A OD1 no hydrogen 2.866 N/A GLY 131.A N GLY 114.A O no hydrogen 2.581 N/A ALA 132.A N ASN 129.A O no hydrogen 3.110 N/A TYR 133.A N ALA 150.A O no hydrogen 3.052 N/A VAL 134.A N PHE 116.A O no hydrogen 2.720 N/A ASP 135.A N ILE 152.A O no hydrogen 3.070 N/A GLU 136.A N ASP 135.A OD1 no hydrogen 2.795 N/A GLY 137.A N ARG 119.A O no hydrogen 3.469 N/A THR 138.A OG1 ASP 135.A O no hydrogen 3.512 N/A THR 138.A OG1 GLY 153.A O no hydrogen 2.829 N/A THR 138.A OG1 VAL 156.A O no hydrogen 3.496 N/A MET 139.A N VAL 156.A O no hydrogen 2.895 N/A VAL 140.A N VAL 122.A O no hydrogen 3.083 N/A ASP 141.A N LEU 158.A O no hydrogen 2.979 N/A THR 142.A N ASP 141.A OD1 no hydrogen 2.857 N/A THR 142.A OG1 ASP 141.A OD1 no hydrogen 3.347 N/A TRP 143.A N PRO 125.A O no hydrogen 2.606 N/A ALA 144.A N ASP 141.A O no hydrogen 3.121 N/A THR 145.A N VAL 162.A O no hydrogen 2.767 N/A VAL 146.A N TYR 127.A O no hydrogen 2.835 N/A GLY 147.A N ILE 164.A O no hydrogen 2.890 N/A CYS 149.A N ILE 130.A O no hydrogen 3.183 N/A ALA 150.A N GLY 147.A O no hydrogen 3.220 N/A GLN 151.A N THR 176.A O no hydrogen 3.016 N/A GLN 151.A NE2 CYS 149.A O no hydrogen 3.262 N/A ILE 152.A N TYR 133.A O no hydrogen 2.948 N/A GLY 153.A N ILE 178.A O no hydrogen 2.815 N/A LYS 154.A N ASP 180.A OD1 no hydrogen 2.731 N/A LYS 154.A NZ ASP 135.A OD2 no hydrogen 3.038 N/A ASN 155.A N GLU 136.A O no hydrogen 2.609 N/A ASN 155.A ND2 ASN 181.A OD1 no hydrogen 3.115 N/A VAL 156.A N THR 138.A OG1 no hydrogen 2.771 N/A HIS 157.A N CYS 182.A O no hydrogen 3.050 N/A LEU 158.A N MET 139.A O no hydrogen 2.982 N/A SER 159.A N ILE 184.A O no hydrogen 2.864 N/A SER 159.A OG ILE 184.A O no hydrogen 2.538 N/A GLY 161.A N THR 142.A O no hydrogen 2.876 N/A GLY 163.A N SER 188.A O no hydrogen 3.106 N/A ILE 164.A N THR 145.A O no hydrogen 2.944 N/A GLY 165.A N VAL 190.A O no hydrogen 2.572 N/A VAL 167.A N SER 148.A OG no hydrogen 2.784 N/A GLN 172.A N VAL 167.A O no hydrogen 3.106 N/A ILE 177.A N VAL 194.A O no hydrogen 3.282 N/A ILE 178.A N GLN 151.A O no hydrogen 2.829 N/A GLU 179.A N VAL 196.A O no hydrogen 2.836 N/A ASN 181.A N LYS 154.A O no hydrogen 2.898 N/A CYS 182.A SG GLU 179.A O no hydrogen 3.384 N/A CYS 182.A SG ASP 180.A O no hydrogen 3.853 N/A CYS 182.A SG VAL 196.A O no hydrogen 3.935 N/A CYS 182.A SG GLU 197.A O no hydrogen 3.356 N/A PHE 183.A N SER 200.A O no hydrogen 2.972 N/A ILE 184.A N HIS 157.A O no hydrogen 2.795 N/A GLY 185.A N ILE 202.A O no hydrogen 2.752 N/A ARG 187.A N GLY 160.A O no hydrogen 2.873 N/A SER 188.A N GLY 185.A O no hydrogen 3.287 N/A SER 188.A OG SER 203.A O no hydrogen 2.860 N/A SER 188.A OG VAL 206.A O no hydrogen 3.079 N/A GLU 189.A N VAL 206.A O no hydrogen 2.826 N/A VAL 190.A N GLY 163.A O no hydrogen 2.939 N/A VAL 191.A N LEU 208.A O no hydrogen 3.040 N/A GLY 193.A N THR 176.A OG1 no hydrogen 3.321 N/A VAL 194.A N VAL 191.A O no hydrogen 3.290 N/A ILE 195.A N GLY 225.A O no hydrogen 2.890 N/A VAL 196.A N ILE 177.A O no hydrogen 3.105 N/A GLU 197.A N VAL 227.A O no hydrogen 2.949 N/A GLU 198.A N GLU 179.A OE1 no hydrogen 2.817 N/A GLY 199.A N ASP 180.A O no hydrogen 2.895 N/A SER 200.A OG GLU 197.A O no hydrogen 2.725 N/A SER 200.A OG PRO 228.A O no hydrogen 3.381 N/A VAL 201.A N SER 231.A O no hydrogen 2.682 N/A ILE 202.A N PHE 183.A O no hydrogen 2.871 N/A SER 203.A N VAL 233.A O no hydrogen 2.832 N/A MET 204.A N SER 203.A OG no hydrogen 2.704 N/A GLY 205.A N ALA 186.A O no hydrogen 3.012 N/A VAL 206.A N SER 188.A OG no hydrogen 2.471 N/A TYR 207.A N TYR 248.A OH no hydrogen 2.974 N/A TYR 207.A OH ARG 187.A O no hydrogen 3.078 N/A LEU 208.A N GLU 189.A O no hydrogen 2.818 N/A GLY 209.A N THR 212.A OG1 no hydrogen 2.946 N/A GLN 210.A N GLU 192.A OE1 no hydrogen 2.851 N/A GLN 210.A NE2 GLU 192.A O no hydrogen 2.737 N/A THR 212.A N GLY 209.A O no hydrogen 2.818 N/A THR 212.A OG1 TYR 207.A O no hydrogen 3.414 N/A THR 212.A OG1 GLY 209.A O no hydrogen 3.278 N/A ILE 214.A N HIS 223.A O no hydrogen 2.941 N/A TYR 215.A N ALA 250.A O no hydrogen 2.747 N/A ASP 216.A N GLU 221.A O no hydrogen 2.854 N/A ARG 217.A NE VAL 253.A O no hydrogen 3.312 N/A ARG 217.A NH2 VAL 253.A O no hydrogen 2.885 N/A GLU 218.A N ASP 216.A OD1 no hydrogen 2.689 N/A THR 219.A N ASP 216.A OD1 no hydrogen 3.075 N/A GLY 220.A N ASP 216.A O no hydrogen 2.831 N/A GLU 221.A N THR 219.A OG1 no hydrogen 2.955 N/A HIS 223.A N ILE 214.A O no hydrogen 2.671 N/A ARG 226.A NH1 GLU 197.A OE2 no hydrogen 3.396 N/A VAL 227.A N ILE 195.A O no hydrogen 2.787 N/A ALA 229.A N GLU 197.A OE1 no hydrogen 2.875 N/A GLY 230.A N GLU 198.A O no hydrogen 3.118 N/A SER 231.A OG PRO 228.A O no hydrogen 2.499 N/A VAL 232.A N LYS 254.A O no hydrogen 2.949 N/A VAL 233.A N VAL 201.A O no hydrogen 2.852 N/A VAL 234.A N VAL 251.A O no hydrogen 2.899 N/A SER 235.A OG GLY 205.A O no hydrogen 2.676 N/A SER 235.A OG TYR 248.A OH no hydrogen 2.913 N/A GLY 236.A N CYS 249.A O no hydrogen 2.818 N/A ASN 237.A ND2 GLY 236.A O no hydrogen 2.519 N/A LEU 238.A N LEU 247.A O no hydrogen 2.774 N/A SER 240.A N TYR 245.A O no hydrogen 2.783 N/A SER 240.A OG ASP 242.A OD1 no hydrogen 2.534 N/A SER 240.A OG TYR 245.A O no hydrogen 3.045 N/A GLY 243.A N SER 240.A O no hydrogen 3.147 N/A SER 244.A N ASP 242.A OD1 no hydrogen 2.522 N/A SER 244.A OG ASP 242.A OD1 no hydrogen 2.289 N/A TYR 245.A N SER 240.A OG no hydrogen 3.334 N/A SER 246.A OG ASN 237.A OD1 no hydrogen 2.895 N/A LEU 247.A N LEU 238.A O no hydrogen 2.830 N/A TYR 248.A OH GLY 205.A O no hydrogen 3.349 N/A TYR 248.A OH SER 235.A OG no hydrogen 2.913 N/A CYS 249.A N GLY 236.A O no hydrogen 2.899 N/A CYS 249.A SG ALA 250.A O no hydrogen 4.008 N/A ALA 250.A N ARG 213.A O no hydrogen 2.995 N/A VAL 251.A N VAL 234.A O no hydrogen 2.716 N/A ILE 252.A N TYR 215.A O no hydrogen 2.807 N/A VAL 253.A N VAL 232.A O no hydrogen 3.045 N/A LYS 254.A NZ ASP 257.A OD1 no hydrogen 3.092 N/A LYS 254.A NZ ASP 257.A OD2 no hydrogen 3.171 N/A VAL 256.A N GLY 230.A O no hydrogen 3.001 N/A THR 260.A N ASP 257.A OD1 no hydrogen 2.991 N/A THR 260.A OG1 ASP 257.A OD1 no hydrogen 2.904 N/A ARG 261.A N ASP 257.A O no hydrogen 2.782 N/A GLY 262.A N ALA 258.A O no hydrogen 3.081 N/A GLY 262.A N LYS 259.A O no hydrogen 3.136 N/A LYS 263.A N THR 260.A O no hydrogen 2.866 N/A LEU 269.A N ASN 267.A OD1 no hydrogen 2.969 N/A LEU 270.A N ASN 267.A O no hydrogen 2.875 N/A ARG 271.A N GLU 268.A O no hydrogen 3.020 N/A ARG 271.A NE GLY 137.A O no hydrogen 3.093 N/A ARG 271.A NH2 GLY 137.A O no hydrogen 3.164 N/A THR 272.A OG1 GLY 102.A O no hydrogen 2.794 N/A