Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4itr_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): TYR 3.A OH PRO 85.A O no hydrogen 2.632 N/A GLN 4.A N ASN 2.A OD1 no hydrogen 3.223 N/A LEU 6.A N TYR 3.A O no hydrogen 2.952 N/A ASN 9.A N GLN 94.A OE1 no hydrogen 3.315 N/A LEU 10.A N ASP 8.A OD1 no hydrogen 3.006 N/A ASN 11.A ND2 GLU 211.A O no hydrogen 2.741 N/A LEU 12.A N ASP 8.A OD1 no hydrogen 3.028 N/A LYS 13.A N ASP 8.A OD2 no hydrogen 3.318 N/A LYS 13.A NZ GLN 4.A O no hydrogen 3.430 N/A LYS 13.A NZ LEU 6.A O no hydrogen 3.028 N/A GLY 14.A N ASN 11.A OD1 no hydrogen 3.063 N/A LEU 15.A N ASN 11.A O no hydrogen 3.199 N/A ILE 16.A N LEU 12.A O no hydrogen 2.840 N/A SER 17.A N LYS 13.A O no hydrogen 2.938 N/A LEU 18.A N GLY 14.A O no hydrogen 2.992 N/A GLU 19.A N LEU 15.A O no hydrogen 2.890 N/A ASP 20.A N ILE 16.A O no hydrogen 2.823 N/A ASP 21.A N SER 17.A O no hydrogen 3.208 N/A ARG 22.A N LEU 18.A O no hydrogen 3.274 N/A ARG 22.A NE GLU 19.A OE2 no hydrogen 3.072 N/A ARG 22.A NH1 ASN 78.A OD1 no hydrogen 2.657 N/A ARG 22.A NH2 GLU 19.A OE1 no hydrogen 3.075 N/A ARG 22.A NH2 GLU 19.A OE2 no hydrogen 3.220 N/A ARG 22.A NH2 THR 82.A OG1 no hydrogen 3.071 N/A ASN 23.A N GLU 19.A O no hydrogen 2.978 N/A ALA 24.A N ASP 20.A O no hydrogen 3.019 N/A ASN 25.A N ASP 21.A O no hydrogen 3.152 N/A ASN 25.A ND2 ASP 21.A O no hydrogen 2.746 N/A PHE 26.A N ASN 23.A O no hydrogen 3.323 N/A ASN 29.A N ASN 25.A O no hydrogen 2.821 N/A VAL 30.A N PHE 26.A O no hydrogen 2.860 N/A LYS 32.A N GLU 27.A O no hydrogen 2.785 N/A ASN 33.A N VAL 30.A O no hydrogen 3.199 N/A PHE 36.A N ASN 33.A OD1 no hydrogen 3.268 N/A LEU 37.A N ASN 33.A O no hydrogen 2.964 N/A ASP 38.A N GLU 34.A O no hydrogen 2.731 N/A GLU 39.A N LYS 35.A O no hydrogen 2.944 N/A ALA 40.A N PHE 36.A O no hydrogen 2.971 N/A ARG 41.A N LEU 37.A O no hydrogen 2.693 N/A ARG 41.A NE ASP 63.A OD1 no hydrogen 2.588 N/A ARG 41.A NH1 GLU 34.A OE1 no hydrogen 3.136 N/A ARG 41.A NH1 ASP 38.A OD1 no hydrogen 2.702 N/A ARG 41.A NH2 ASP 63.A OD1 no hydrogen 3.496 N/A ARG 41.A NH2 ASP 63.A OD2 no hydrogen 3.004 N/A GLU 42.A N ASP 38.A O no hydrogen 2.912 N/A ILE 43.A N GLU 39.A O no hydrogen 3.079 N/A SER 44.A N ALA 40.A O no hydrogen 2.940 N/A SER 44.A OG ALA 40.A O no hydrogen 3.073 N/A SER 44.A OG LEU 66.A O no hydrogen 2.619 N/A LYS 45.A N ARG 41.A O no hydrogen 3.152 N/A ILE 48.A N LYS 45.A O no hydrogen 3.036 N/A VAL 53.A N PRO 49.A O no hydrogen 3.032 N/A LYS 54.A N GLU 50.A O no hydrogen 3.209 N/A LYS 54.A NZ GLU 50.A O no hydrogen 3.509 N/A GLN 55.A N ALA 51.A O no hydrogen 3.087 N/A MET 56.A N THR 52.A O no hydrogen 2.872 N/A SER 57.A OG LYS 54.A O no hydrogen 2.394 N/A LEU 59.A N MET 56.A O no hydrogen 2.978 N/A PHE 62.A N LEU 59.A O no hydrogen 3.033 N/A ILE 65.A N GLU 61.A O no hydrogen 3.131 N/A LEU 66.A N PHE 62.A O no hydrogen 3.024 N/A THR 67.A N ASP 64.A O no hydrogen 3.176 N/A THR 67.A OG1 ASP 63.A O no hydrogen 3.148 N/A GLU 68.A N ASP 64.A O no hydrogen 2.727 N/A LYS 71.A N THR 67.A O no hydrogen 3.049 N/A LYS 72.A N GLU 68.A O no hydrogen 2.980 N/A VAL 73.A N GLY 69.A O no hydrogen 3.215 N/A GLU 74.A N ALA 70.A O no hydrogen 3.241 N/A SER 75.A N LYS 71.A O no hydrogen 2.914 N/A SER 75.A OG LYS 71.A O no hydrogen 3.072 N/A ARG 76.A N LYS 72.A O no hydrogen 2.951 N/A ILE 77.A N VAL 73.A O no hydrogen 3.038 N/A ASN 78.A N GLU 74.A O no hydrogen 2.854 N/A ASN 78.A ND2 ASN 23.A OD1 no hydrogen 2.741 N/A LYS 79.A N SER 75.A O no hydrogen 2.930 N/A ALA 80.A N ARG 76.A O no hydrogen 3.091 N/A ILE 81.A N ILE 77.A O no hydrogen 3.097 N/A THR 82.A N ASN 78.A O no hydrogen 2.919 N/A THR 82.A OG1 ASN 23.A OD1 no hydrogen 3.526 N/A THR 82.A OG1 ASN 78.A O no hydrogen 2.545 N/A PHE 83.A N GLU 19.A OE1 no hydrogen 2.872 N/A ARG 84.A NE TYR 3.A OH no hydrogen 3.273 N/A SER 86.A N GLU 89.A OE1 no hydrogen 2.809 N/A SER 86.A OG GLU 88.A OE2 no hydrogen 3.432 N/A GLU 89.A N SER 86.A OG no hydrogen 3.299 N/A PHE 90.A N SER 86.A O no hydrogen 2.833 N/A SER 91.A N VAL 87.A O no hydrogen 3.109 N/A GLU 92.A N GLU 88.A O no hydrogen 2.898 N/A ILE 93.A N GLU 89.A O no hydrogen 2.906 N/A GLN 94.A N PHE 90.A O no hydrogen 3.219 N/A GLN 94.A NE2 ASP 8.A OD1 no hydrogen 2.818 N/A ASP 95.A N SER 91.A O no hydrogen 3.089 N/A LEU 96.A N GLU 92.A O no hydrogen 2.751 N/A VAL 97.A N ILE 93.A O no hydrogen 3.156 N/A LYS 98.A N ASP 95.A O no hydrogen 3.241 N/A THR 99.A N LEU 96.A O no hydrogen 3.196 N/A THR 99.A OG1 LEU 96.A O no hydrogen 2.630 N/A LEU 100.A N VAL 97.A O no hydrogen 3.108 N/A LYS 102.A NZ TYR 253.A OH no hydrogen 3.442 N/A THR 103.A N GLY 252.A O no hydrogen 2.892 N/A SER 110.A OG ASP 108.A OD1 no hydrogen 3.165 N/A THR 111.A N ASP 108.A OD1 no hydrogen 3.076 N/A THR 111.A OG1 ASP 108.A OD1 no hydrogen 2.552 N/A LYS 112.A N ASP 108.A O no hydrogen 2.978 N/A LYS 112.A NZ ASP 250.A OD1 no hydrogen 2.682 N/A THR 113.A N LEU 109.A O no hydrogen 2.810 N/A THR 113.A OG1 LEU 109.A O no hydrogen 2.652 N/A ASN 114.A N SER 110.A O no hydrogen 2.977 N/A GLU 115.A N THR 111.A O no hydrogen 3.031 N/A ILE 116.A N LYS 112.A O no hydrogen 2.963 N/A THR 117.A N THR 113.A O no hydrogen 2.966 N/A THR 117.A OG1 THR 113.A O no hydrogen 2.636 N/A GLU 118.A N ASN 114.A O no hydrogen 2.958 N/A ALA 119.A N GLU 115.A O no hydrogen 3.129 N/A LEU 120.A N ILE 116.A O no hydrogen 3.138 N/A ALA 121.A N THR 117.A O no hydrogen 2.972 N/A ALA 122.A N GLU 118.A O no hydrogen 2.846 N/A ALA 122.A N ALA 119.A O no hydrogen 3.286 N/A SER 124.A N ALA 121.A O no hydrogen 2.987 N/A ILE 127.A N SER 124.A OG no hydrogen 3.267 N/A GLN 128.A N SER 124.A O no hydrogen 3.156 N/A GLN 128.A NE2 ALA 121.A O no hydrogen 2.852 N/A ARG 129.A N LYS 125.A O no hydrogen 3.002 N/A THR 130.A N ILE 127.A O no hydrogen 3.414 N/A THR 130.A OG1 THR 126.A O no hydrogen 2.750 N/A LYS 134.A N THR 130.A O no hydrogen 3.007 N/A LYS 134.A NZ GLU 118.A OE2 no hydrogen 2.763 N/A GLU 135.A N PRO 131.A O no hydrogen 2.879 N/A GLN 136.A N GLU 132.A O no hydrogen 3.142 N/A LEU 137.A N LEU 133.A O no hydrogen 3.041 N/A LYS 138.A N LYS 134.A O no hydrogen 3.033 N/A LYS 138.A NZ ASN 114.A OD1 no hydrogen 2.938 N/A THR 139.A N GLU 135.A O no hydrogen 3.109 N/A THR 139.A OG1 GLU 135.A O no hydrogen 3.160 N/A ALA 140.A N GLN 136.A O no hydrogen 3.107 N/A ILE 141.A N LEU 137.A O no hydrogen 2.900 N/A GLU 142.A N LYS 138.A O no hydrogen 2.935 N/A ASP 143.A N THR 139.A O no hydrogen 2.909 N/A PHE 144.A N ALA 140.A O no hydrogen 2.992 N/A LEU 145.A N ILE 141.A O no hydrogen 2.864 N/A GLN 146.A N GLU 142.A O no hydrogen 3.018 N/A ASN 147.A N ASP 143.A O no hydrogen 2.984 N/A ASN 147.A N PHE 144.A O no hydrogen 3.238 N/A SER 148.A N PHE 144.A O no hydrogen 2.948 N/A SER 148.A OG PHE 144.A O no hydrogen 2.833 N/A LYS 151.A N SER 148.A O no hydrogen 3.158 N/A LYS 151.A NZ ASN 147.A O no hydrogen 3.555 N/A LEU 153.A N ASN 206.A OD1 no hydrogen 2.786 N/A MET 157.A N THR 154.A OG1 no hydrogen 3.193 N/A ILE 158.A N THR 154.A O no hydrogen 3.359 N/A GLU 159.A N VAL 155.A O no hydrogen 2.862 N/A ASN 160.A N GLN 156.A O no hydrogen 3.020 N/A LEU 161.A N MET 157.A O no hydrogen 2.914 N/A ASN 162.A N ILE 158.A O no hydrogen 2.823 N/A ASN 162.A ND2 GLU 234.A O no hydrogen 2.831 N/A HIS 163.A N GLU 159.A O no hydrogen 3.105 N/A GLY 164.A N ASN 160.A O no hydrogen 2.941 N/A LEU 165.A N LEU 161.A O no hydrogen 2.905 N/A LEU 165.A N ASN 162.A O no hydrogen 3.167 N/A ARG 166.A N HIS 163.A O no hydrogen 3.115 N/A ARG 166.A NE GLU 169.A OE1 no hydrogen 2.969 N/A ARG 166.A NE GLU 169.A OE2 no hydrogen 3.072 N/A ARG 166.A NH1 ASN 162.A OD1 no hydrogen 2.689 N/A ARG 166.A NH1 LEU 175.A O no hydrogen 2.782 N/A ARG 166.A NH2 GLU 169.A OE1 no hydrogen 2.718 N/A ARG 166.A NH2 GLU 169.A OE2 no hydrogen 3.254 N/A ARG 166.A NH2 LEU 174.A O no hydrogen 2.801 N/A ARG 173.A NH1 GLU 169.A O no hydrogen 3.415 N/A TYR 176.A OH GLU 159.A OE2 no hydrogen 2.781 N/A LYS 177.A N PRO 231.A O no hydrogen 3.049 N/A LYS 177.A NZ SER 189.A O no hydrogen 2.815 N/A LYS 177.A NZ TYR 229.A O no hydrogen 3.138 N/A LYS 177.A NZ ALA 230.A O no hydrogen 2.663 N/A THR 182.A OG1 ALA 186.A O no hydrogen 2.673 N/A ALA 186.A N LYS 183.A O no hydrogen 3.090 N/A VAL 187.A N PRO 269.A O no hydrogen 3.008 N/A SER 189.A N ALA 228.A O no hydrogen 3.108 N/A SER 189.A OG GLU 74.A OE1 no hydrogen 2.701 N/A SER 190.A N GLU 74.A OE2 no hydrogen 2.984 N/A SER 190.A OG GLU 39.A OE1 no hydrogen 2.747 N/A GLU 192.A N GLU 39.A OE2 no hydrogen 2.803 N/A ALA 193.A N SER 190.A OG no hydrogen 3.256 N/A ALA 194.A N SER 190.A O no hydrogen 2.815 N/A LYS 195.A N PRO 191.A O no hydrogen 3.172 N/A LYS 195.A NZ PRO 191.A O no hydrogen 3.495 N/A ILE 196.A N GLU 192.A O no hydrogen 3.074 N/A GLN 197.A N ALA 193.A O no hydrogen 3.108 N/A GLN 197.A NE2 ALA 193.A O no hydrogen 3.367 N/A LEU 198.A N ALA 194.A O no hydrogen 2.896 N/A ALA 199.A N LYS 195.A O no hydrogen 3.166 N/A GLU 200.A N ILE 196.A O no hydrogen 3.279 N/A THR 201.A N GLN 197.A O no hydrogen 2.910 N/A THR 201.A OG1 GLN 197.A O no hydrogen 2.797 N/A VAL 202.A N LEU 198.A O no hydrogen 3.111 N/A ASP 203.A N ALA 199.A O no hydrogen 3.161 N/A PHE 204.A N GLU 200.A O no hydrogen 2.886 N/A ILE 205.A N THR 201.A O no hydrogen 2.876 N/A ASN 206.A N VAL 202.A O no hydrogen 3.033 N/A ASN 206.A ND2 LEU 153.A O no hydrogen 2.958 N/A ARG 207.A N ASP 203.A O no hydrogen 2.760 N/A ALA 208.A N PHE 204.A O no hydrogen 2.829 N/A LYS 209.A N ILE 205.A O no hydrogen 3.291 N/A ASN 210.A N ASN 206.A O no hydrogen 3.149 N/A GLU 211.A N ARG 207.A O no hydrogen 2.948 N/A GLY 212.A N LYS 209.A O no hydrogen 3.209 N/A ILE 213.A N ALA 208.A O no hydrogen 2.839 N/A GLU 214.A N LEU 10.A O no hydrogen 3.069 N/A SER 216.A N GLU 214.A OE2 no hydrogen 3.215 N/A SER 216.A OG GLU 214.A OE2 no hydrogen 2.962 N/A VAL 217.A N GLU 214.A O no hydrogen 3.098 N/A VAL 218.A N GLU 214.A O no hydrogen 3.059 N/A GLY 219.A N PRO 215.A O no hydrogen 2.795 N/A ALA 220.A N SER 216.A O no hydrogen 3.283 N/A LEU 221.A N VAL 217.A O no hydrogen 3.144 N/A VAL 222.A N VAL 218.A O no hydrogen 2.916 N/A TYR 223.A N GLY 219.A O no hydrogen 2.882 N/A TYR 223.A OH GLU 264.A OE2 no hydrogen 2.835 N/A GLN 224.A N ALA 220.A O no hydrogen 3.141 N/A GLN 224.A NE2 ALA 80.A O no hydrogen 3.042 N/A GLN 224.A NE2 ILE 267.A O no hydrogen 2.950 N/A ARG 225.A N LEU 221.A O no hydrogen 3.050 N/A ARG 225.A NE LEU 221.A O no hydrogen 3.323 N/A ARG 225.A NH1 GLU 19.A OE2 no hydrogen 3.151 N/A ARG 225.A NH2 GLU 19.A OE1 no hydrogen 2.843 N/A ARG 225.A NH2 GLU 19.A OE2 no hydrogen 3.535 N/A LEU 226.A N VAL 222.A O no hydrogen 3.023 N/A ALA 228.A N GLN 224.A O no hydrogen 2.953 N/A TYR 229.A N ARG 225.A O no hydrogen 2.769 N/A TYR 229.A OH GLN 197.A OE1 no hydrogen 3.349 N/A ALA 230.A N LEU 226.A O no hydrogen 2.919 N/A PHE 232.A N ASN 236.A OD1 no hydrogen 2.943 N/A ALA 233.A N LEU 175.A O no hydrogen 3.004 N/A ASN 236.A ND2 PHE 232.A O no hydrogen 2.723 N/A ARG 238.A NH1 LEU 165.A O no hydrogen 3.123 N/A MET 239.A N GLY 235.A O no hydrogen 3.011 N/A ALA 240.A N ASN 236.A O no hydrogen 2.975 N/A ARG 241.A N GLY 237.A O no hydrogen 3.164 N/A ARG 241.A NE THR 257.A O no hydrogen 2.917 N/A VAL 242.A N ARG 238.A O no hydrogen 3.052 N/A ILE 243.A N MET 239.A O no hydrogen 3.149 N/A VAL 244.A N ALA 240.A O no hydrogen 2.918 N/A ASN 245.A N ARG 241.A O no hydrogen 2.906 N/A ASN 245.A ND2 PHE 256.A O no hydrogen 3.025 N/A LYS 246.A N VAL 242.A O no hydrogen 2.894 N/A LYS 246.A NZ ASP 250.A OD2 no hydrogen 2.897 N/A ILE 247.A N ILE 243.A O no hydrogen 3.199 N/A LEU 248.A N VAL 244.A O no hydrogen 2.966 N/A LEU 249.A N ASN 245.A O no hydrogen 2.847 N/A ASP 250.A N LYS 246.A O no hydrogen 2.980 N/A ALA 251.A N LEU 248.A O no hydrogen 3.028 N/A GLY 252.A N LEU 249.A O no hydrogen 3.042 N/A TYR 253.A N LEU 248.A O no hydrogen 2.847 N/A TYR 253.A OH GLU 214.A OE2 no hydrogen 2.563 N/A PHE 256.A N ASN 245.A OD1 no hydrogen 2.742 N/A PHE 259.A N GLU 264.A OE1 no hydrogen 2.877 N/A SER 260.A OG GLU 262.A OE1 no hydrogen 3.217 N/A PHE 263.A N SER 260.A OG no hydrogen 3.193 N/A GLU 264.A N SER 260.A O no hydrogen 3.106 N/A GLN 266.A N PHE 263.A O no hydrogen 2.851 N/A GLN 266.A NE2 GLU 262.A O no hydrogen 3.254 N/A ILE 267.A N GLU 264.A O no hydrogen 3.311 N/A GLN 270.A NE2 ILE 268.A O no hydrogen 2.866 N/A THR 271.A N ASN 185.A O no hydrogen 2.731 N/A LYS 272.A NZ SER 274.A OG no hydrogen 2.773 N/A THR 275.A N LYS 272.A O no hydrogen 3.384 N/A ALA 278.A N GLN 266.A O no hydrogen 2.762 N/A THR 279.A N GLU 282.A OE1 no hydrogen 2.947 N/A THR 279.A OG1 SER 281.A OG no hydrogen 3.392 N/A SER 280.A OG ILE 81.A O no hydrogen 2.792 N/A SER 280.A OG GLN 224.A OE1 no hydrogen 3.415 N/A SER 281.A OG GLU 89.A OE1 no hydrogen 2.776 N/A SER 281.A OG THR 279.A OG1 no hydrogen 3.392 N/A GLU 282.A N THR 279.A OG1 no hydrogen 3.230 N/A VAL 283.A N THR 279.A O no hydrogen 2.923 N/A VAL 284.A N SER 280.A O no hydrogen 2.995 N/A VAL 285.A N SER 281.A O no hydrogen 3.066 N/A GLU 286.A N GLU 282.A O no hydrogen 3.034 N/A PHE 287.A N VAL 283.A O no hydrogen 2.751 N/A LEU 288.A N VAL 284.A O no hydrogen 2.837 N/A LYS 289.A N VAL 285.A O no hydrogen 3.037 N/A GLU 290.A N GLU 286.A O no hydrogen 3.012 N/A LEU 291.A N PHE 287.A O no hydrogen 2.975 N/A ALA 292.A N LEU 288.A O no hydrogen 2.927 N/A LYS 293.A N GLU 290.A O no hydrogen 3.247 N/A LYS 294.A N LEU 291.A O no hydrogen 3.299 N/A LYS 294.A NZ THR 257.A OG1 no hydrogen 3.066 N/A SER 296.A N LYS 293.A O no hydrogen 3.023 N/A SER 296.A OG LYS 293.A O no hydrogen 2.791 N/A ASP 299.A N SER 296.A OG no hydrogen 2.942 N/A