Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4ity_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): LYS 1.A NZ LEU 38.A O no hydrogen 3.167 N/A LYS 2.A NZ ASP 41.A OD2 no hydrogen 3.107 N/A MET 3.A N ASP 41.A O no hydrogen 2.903 N/A SER 4.A N PHE 94.A O no hydrogen 2.834 N/A ILE 5.A N ARG 43.A O no hydrogen 2.738 N/A VAL 6.A N LEU 96.A O no hydrogen 2.709 N/A LEU 7.A N GLU 45.A O no hydrogen 2.821 N/A ALA 8.A N ILE 98.A O no hydrogen 3.025 N/A PHE 10.A N ALA 8.A O no hydrogen 2.846 N/A SER 11.A OG GLU 54.A OE1 no hydrogen 2.503 N/A GLY 13.A N ASP 101.A OD2 no hydrogen 2.903 N/A GLN 14.A N SER 11.A O no hydrogen 3.298 N/A GLN 14.A NE2 SER 11.A O no hydrogen 2.679 N/A GLN 14.A NE2 HIS 16.A O no hydrogen 2.645 N/A HIS 16.A N GLN 14.A OE1 no hydrogen 2.897 N/A SER 17.A OG GLU 54.A OE2 no hydrogen 3.103 N/A LEU 21.A N GLY 18.A O no hydrogen 3.014 N/A GLY 22.A N VAL 19.A O no hydrogen 3.184 N/A TYR 25.A N LEU 21.A O no hydrogen 2.850 N/A LEU 26.A N GLY 22.A O no hydrogen 2.753 N/A LEU 27.A N PRO 23.A O no hydrogen 2.924 N/A LYS 28.A N ASP 24.A O no hydrogen 2.954 N/A LYS 28.A N TYR 25.A O no hydrogen 3.064 N/A LYS 28.A NZ ASP 24.A O no hydrogen 3.411 N/A GLN 29.A N TYR 25.A O no hydrogen 3.128 N/A GLY 30.A N LEU 27.A O no hydrogen 3.190 N/A LEU 31.A N LEU 26.A O no hydrogen 3.216 N/A GLN 32.A NE2 THR 42.A OG1 no hydrogen 2.718 N/A ASP 34.A N GLY 30.A O no hydrogen 2.963 N/A MET 35.A N LEU 31.A O no hydrogen 3.091 N/A GLU 36.A N GLN 32.A O no hydrogen 2.830 N/A LYS 37.A N GLN 33.A O no hydrogen 2.680 N/A LEU 38.A N MET 35.A O no hydrogen 3.010 N/A GLY 39.A N GLU 36.A O no hydrogen 2.716 N/A TRP 40.A N MET 35.A O no hydrogen 3.017 N/A TRP 40.A NE1 MET 303.A O no hydrogen 3.290 N/A ASP 41.A N LYS 1.A O no hydrogen 2.785 N/A THR 42.A N GLU 36.A OE1 no hydrogen 2.881 N/A THR 42.A OG1 GLU 36.A OE1 no hydrogen 2.627 N/A GLU 45.A N ILE 5.A O no hydrogen 2.917 N/A VAL 52.A N ASP 49.A OD2 no hydrogen 2.915 N/A VAL 53.A N ASP 49.A O no hydrogen 3.107 N/A GLU 54.A N GLY 50.A O no hydrogen 3.067 N/A ALA 55.A N LYS 51.A O no hydrogen 3.098 N/A ARG 56.A N VAL 52.A O no hydrogen 2.944 N/A ARG 56.A NH1 GLU 76.A OE1 no hydrogen 3.114 N/A ARG 56.A NH1 GLU 76.A OE2 no hydrogen 2.924 N/A ARG 56.A NH2 GLU 76.A OE2 no hydrogen 2.623 N/A LYS 57.A N VAL 53.A O no hydrogen 2.829 N/A LYS 57.A NZ SER 11.A O no hydrogen 3.122 N/A LYS 57.A NZ GLN 14.A O no hydrogen 3.000 N/A ALA 58.A N GLU 54.A O no hydrogen 2.825 N/A SER 59.A N ALA 55.A O no hydrogen 3.360 N/A SER 59.A OG ALA 55.A O no hydrogen 3.178 N/A SER 59.A OG ARG 56.A O no hydrogen 3.248 N/A ASP 60.A N SER 59.A OG no hydrogen 2.736 N/A ARG 64.A NH2 GLY 66.A O no hydrogen 3.382 N/A ILE 65.A N VAL 68.A O no hydrogen 3.028 N/A ARG 67.A NH1 SER 134.A O no hydrogen 3.405 N/A LYS 69.A N GLY 139.A O no hydrogen 2.880 N/A LYS 69.A NZ ARG 67.A O no hydrogen 2.849 N/A LYS 69.A NZ SER 138.A O no hydrogen 2.806 N/A ARG 70.A N ASP 63.A O no hydrogen 2.718 N/A ARG 72.A N ASP 63.A OD1 no hydrogen 3.051 N/A ARG 72.A NH2 ASP 60.A OD2 no hydrogen 3.311 N/A LEU 73.A N ASP 63.A OD2 no hydrogen 2.949 N/A THR 74.A N ARG 70.A O no hydrogen 2.989 N/A THR 74.A OG1 ARG 70.A O no hydrogen 2.781 N/A ALA 75.A N PRO 71.A O no hydrogen 2.900 N/A GLU 76.A N ARG 72.A O no hydrogen 3.063 N/A CYS 77.A N LEU 73.A O no hydrogen 2.993 N/A CYS 77.A SG LEU 73.A O no hydrogen 3.621 N/A THR 78.A N THR 74.A O no hydrogen 2.922 N/A THR 78.A OG1 THR 74.A O no hydrogen 2.731 N/A THR 78.A OG1 ALA 75.A O no hydrogen 3.525 N/A GLU 79.A N ALA 75.A O no hydrogen 3.292 N/A LYS 80.A N CYS 77.A O no hydrogen 3.071 N/A ILE 81.A N CYS 77.A O no hydrogen 3.191 N/A TYR 82.A N THR 78.A O no hydrogen 2.959 N/A LYS 83.A N GLU 79.A O no hydrogen 3.055 N/A CYS 84.A N LYS 80.A O no hydrogen 2.910 N/A CYS 84.A SG GLU 45.A OE1 no hydrogen 3.693 N/A VAL 85.A N ILE 81.A O no hydrogen 2.693 N/A ARG 86.A N TYR 82.A O no hydrogen 2.726 N/A ARG 87.A N LYS 83.A O no hydrogen 3.051 N/A VAL 88.A N CYS 84.A O no hydrogen 2.936 N/A ALA 89.A N VAL 85.A O no hydrogen 3.105 N/A GLU 90.A N ARG 86.A O no hydrogen 2.965 N/A GLN 91.A N ARG 87.A O no hydrogen 2.984 N/A GLY 92.A N ALA 89.A O no hydrogen 2.844 N/A ARG 93.A N VAL 88.A O no hydrogen 3.023 N/A ARG 93.A NE SER 4.A OG no hydrogen 2.822 N/A ARG 93.A NH2 MET 3.A O no hydrogen 2.874 N/A PHE 94.A N LYS 2.A O no hydrogen 2.822 N/A LEU 96.A N SER 4.A O no hydrogen 3.014 N/A THR 97.A N LEU 272.A O no hydrogen 2.858 N/A ILE 98.A N VAL 6.A O no hydrogen 2.932 N/A GLY 99.A N VAL 274.A O no hydrogen 2.953 N/A GLY 100.A N VAL 19.A O no hydrogen 2.831 N/A ASP 101.A N PHE 10.A O no hydrogen 2.988 N/A HIS 102.A N GLU 276.A OE2 no hydrogen 2.760 N/A HIS 102.A NE2 SER 229.A OG no hydrogen 2.738 N/A SER 103.A N ASP 101.A OD1 no hydrogen 2.759 N/A SER 103.A OG ASP 101.A OD1 no hydrogen 2.574 N/A ILE 104.A N ASP 101.A O no hydrogen 3.334 N/A ALA 105.A N HIS 102.A O no hydrogen 3.050 N/A LEU 106.A N SER 103.A O no hydrogen 3.178 N/A GLY 107.A N ILE 104.A O no hydrogen 2.903 N/A THR 108.A N ILE 104.A O no hydrogen 3.158 N/A THR 108.A OG1 ASP 273.A OD2 no hydrogen 2.749 N/A VAL 109.A N ALA 105.A O no hydrogen 2.989 N/A GLY 111.A N GLY 107.A O no hydrogen 2.763 N/A VAL 112.A N THR 108.A O no hydrogen 2.833 N/A LEU 113.A N VAL 109.A O no hydrogen 2.897 N/A SER 114.A N ALA 110.A O no hydrogen 3.064 N/A SER 114.A OG ALA 110.A O no hydrogen 2.702 N/A SER 114.A OG GLY 111.A O no hydrogen 2.851 N/A VAL 115.A N VAL 112.A O no hydrogen 3.075 N/A HIS 116.A N VAL 112.A O no hydrogen 2.765 N/A ASP 118.A N ASP 118.A OD1 no hydrogen 2.630 N/A ALA 119.A N HIS 116.A O no hydrogen 2.880 N/A GLY 120.A N PRO 225.A O no hydrogen 2.786 N/A VAL 121.A N LYS 172.A O no hydrogen 2.794 N/A ILE 122.A N MET 227.A O no hydrogen 2.771 N/A TRP 123.A N ALA 174.A O no hydrogen 2.858 N/A VAL 124.A N SER 229.A O no hydrogen 3.055 N/A ASP 125.A N ILE 176.A O no hydrogen 3.138 N/A HIS 127.A N ASP 125.A OD1 no hydrogen 2.695 N/A HIS 127.A ND1 ASP 125.A OD1 no hydrogen 3.147 N/A ILE 130.A N GLU 185.A OE2 no hydrogen 3.008 N/A ASN 131.A N GLY 143.A O no hydrogen 3.104 N/A THR 132.A N GLU 184.A OE1 no hydrogen 3.395 N/A THR 132.A OG1 GLU 184.A OE2 no hydrogen 2.667 N/A SER 134.A N ASP 153.A OD2 no hydrogen 3.235 N/A SER 134.A OG ASP 153.A OD1 no hydrogen 3.418 N/A SER 134.A OG ASP 153.A OD2 no hydrogen 2.717 N/A GLY 135.A N THR 132.A OG1 no hydrogen 2.896 N/A THR 136.A N THR 132.A O no hydrogen 2.701 N/A GLY 139.A N THR 136.A OG1 no hydrogen 2.852 N/A HIS 142.A N GLY 13.A O no hydrogen 2.675 N/A GLY 143.A N ASN 140.A O no hydrogen 3.245 N/A CYS 144.A N LEU 141.A O no hydrogen 3.035 N/A CYS 144.A SG ASN 131.A O no hydrogen 3.418 N/A CYS 144.A SG ASN 140.A O no hydrogen 3.718 N/A LEU 146.A N ASP 129.A O no hydrogen 3.183 N/A SER 147.A N CYS 144.A O no hydrogen 3.083 N/A SER 147.A OG ASN 131.A O no hydrogen 2.804 N/A SER 147.A OG CYS 144.A O no hydrogen 2.811 N/A ILE 148.A N CYS 144.A O no hydrogen 3.399 N/A LEU 149.A N PRO 145.A O no hydrogen 2.886 N/A LEU 150.A N LEU 146.A O no hydrogen 3.010 N/A GLY 151.A N ILE 148.A O no hydrogen 3.082 N/A LEU 152.A N SER 147.A O no hydrogen 2.740 N/A ASN 156.A N ASP 153.A O no hydrogen 2.777 N/A ILE 157.A N ARG 154.A O no hydrogen 2.880 N/A CYS 160.A SG PRO 71.A O no hydrogen 3.535 N/A PHE 161.A N PRO 158.A O no hydrogen 3.181 N/A SER 162.A N GLU 159.A O no hydrogen 2.875 N/A SER 162.A OG GLU 159.A O no hydrogen 2.858 N/A VAL 164.A N PHE 161.A O no hydrogen 2.968 N/A GLN 166.A NE2 VAL 164.A O no hydrogen 3.544 N/A LYS 169.A NZ GLN 166.A O no hydrogen 3.378 N/A LYS 172.A N LYS 169.A O no hydrogen 2.920 N/A LYS 172.A NZ ASP 118.A O no hydrogen 2.815 N/A LYS 172.A NZ VAL 218.A O no hydrogen 2.596 N/A ILE 173.A N PRO 170.A O no hydrogen 3.468 N/A ALA 174.A N VAL 121.A O no hydrogen 2.993 N/A TYR 175.A N ALA 195.A O no hydrogen 2.848 N/A TYR 175.A OH ALA 128.A O no hydrogen 2.761 N/A ILE 176.A N TRP 123.A O no hydrogen 3.094 N/A GLY 177.A N PHE 197.A O no hydrogen 2.831 N/A ARG 179.A N ALA 126.A O no hydrogen 2.920 N/A ARG 179.A NE VAL 247.A O no hydrogen 2.885 N/A ARG 179.A NE ARG 248.A O no hydrogen 3.269 N/A ARG 179.A NH1 GLY 177.A O no hydrogen 3.190 N/A ARG 179.A NH1 THR 234.A O no hydrogen 3.115 N/A ARG 179.A NH2 ASP 233.A O no hydrogen 3.018 N/A ARG 179.A NH2 THR 234.A O no hydrogen 3.384 N/A ARG 179.A NH2 VAL 247.A O no hydrogen 2.717 N/A ALA 180.A N ALA 126.A O no hydrogen 2.941 N/A ASP 182.A N GLU 185.A OE1 no hydrogen 3.188 N/A GLU 185.A N ASP 182.A OD2 no hydrogen 2.730 N/A LYS 186.A N ASP 182.A O no hydrogen 2.889 N/A LYS 187.A N ASP 183.A O no hydrogen 3.233 N/A LYS 187.A NZ ASP 191.A OD1 no hydrogen 3.219 N/A ILE 188.A N GLU 184.A O no hydrogen 3.087 N/A LEU 189.A N GLU 185.A O no hydrogen 3.041 N/A HIS 190.A N LYS 186.A O no hydrogen 3.111 N/A ASP 191.A N LYS 187.A O no hydrogen 2.698 N/A LEU 192.A N ILE 188.A O no hydrogen 2.847 N/A ASN 193.A N HIS 190.A O no hydrogen 3.311 N/A ILE 194.A N LEU 189.A O no hydrogen 2.996 N/A PHE 197.A N TYR 175.A O no hydrogen 2.883 N/A SER 198.A N HIS 201.A ND1 no hydrogen 2.958 N/A SER 198.A OG HIS 201.A ND1 no hydrogen 2.965 N/A MET 199.A N LEU 178.A O no hydrogen 2.859 N/A HIS 200.A N SER 198.A OG no hydrogen 3.212 N/A HIS 201.A N SER 198.A O no hydrogen 2.977 N/A HIS 201.A ND1 SER 198.A OG no hydrogen 2.965 N/A VAL 202.A N SER 198.A O no hydrogen 3.333 N/A ASP 203.A N MET 199.A O no hydrogen 2.835 N/A ARG 204.A N HIS 200.A O no hydrogen 2.816 N/A ARG 204.A NH2 HIS 200.A NE2 no hydrogen 3.489 N/A TYR 205.A N HIS 201.A O no hydrogen 2.617 N/A GLY 206.A N VAL 202.A O no hydrogen 2.620 N/A VAL 210.A N GLY 206.A O no hydrogen 3.186 N/A VAL 211.A N ILE 207.A O no hydrogen 3.016 N/A SER 212.A N ASP 208.A O no hydrogen 3.226 N/A SER 212.A OG ASP 208.A O no hydrogen 3.093 N/A MET 213.A N LYS 209.A O no hydrogen 2.927 N/A ALA 214.A N VAL 210.A O no hydrogen 2.827 N/A ILE 215.A N VAL 211.A O no hydrogen 2.875 N/A GLU 216.A N SER 212.A O no hydrogen 3.068 N/A ALA 217.A N MET 213.A O no hydrogen 3.016 N/A SER 219.A N GLU 216.A O no hydrogen 2.943 N/A SER 219.A OG ILE 215.A O no hydrogen 2.732 N/A LYS 221.A N GLU 224.A OE1 no hydrogen 2.565 N/A GLY 222.A N SER 219.A O no hydrogen 2.957 N/A THR 223.A N GLU 224.A OE2 no hydrogen 2.985 N/A GLU 224.A N GLU 224.A OE2 no hydrogen 2.544 N/A VAL 226.A N ARG 268.A O no hydrogen 2.887 N/A MET 227.A N GLY 120.A O no hydrogen 2.815 N/A VAL 228.A N ALA 271.A O no hydrogen 3.091 N/A SER 229.A N ILE 122.A O no hydrogen 3.093 N/A SER 229.A OG HIS 102.A NE2 no hydrogen 2.738 N/A SER 229.A OG ASP 273.A OD2 no hydrogen 2.846 N/A TYR 230.A N ASP 273.A O no hydrogen 2.704 N/A TYR 230.A OH ALA 256.A O no hydrogen 2.931 N/A ASP 231.A N VAL 124.A O no hydrogen 2.812 N/A VAL 232.A N VAL 275.A O no hydrogen 3.125 N/A ASP 233.A N ASP 231.A OD1 no hydrogen 3.092 N/A THR 234.A N ASP 231.A O no hydrogen 3.191 N/A THR 234.A OG1 ASP 231.A O no hydrogen 2.652 N/A ILE 235.A N VAL 232.A O no hydrogen 3.098 N/A ASP 236.A N LEU 251.A O no hydrogen 2.929 N/A LEU 238.A N ASP 236.A OD1 no hydrogen 2.698 N/A TYR 239.A N ASP 236.A O no hydrogen 2.843 N/A VAL 240.A N ASP 236.A O no hydrogen 3.058 N/A ALA 242.A N THR 291.A OG1 no hydrogen 3.161 N/A THR 243.A OG1 GLU 276.A O no hydrogen 2.911 N/A THR 245.A OG1 ASP 233.A OD1 no hydrogen 2.821 N/A GLY 249.A N ASP 236.A OD2 no hydrogen 3.089 N/A GLY 250.A N ASP 236.A OD2 no hydrogen 3.236 N/A LEU 251.A N THR 234.A O no hydrogen 3.157 N/A SER 252.A N GLU 255.A OE1 no hydrogen 2.829 N/A GLU 255.A N SER 252.A OG no hydrogen 3.136 N/A ALA 256.A N SER 252.A O no hydrogen 2.981 N/A LEU 257.A N PHE 253.A O no hydrogen 3.258 N/A PHE 258.A N ARG 254.A O no hydrogen 2.835 N/A LEU 259.A N GLU 255.A O no hydrogen 3.087 N/A CYS 260.A SG ALA 256.A O no hydrogen 3.332 N/A CYS 260.A SG ILE 298.A O no hydrogen 3.863 N/A GLU 261.A N LEU 257.A O no hydrogen 3.043 N/A ARG 262.A N PHE 258.A O no hydrogen 2.944 N/A ARG 262.A NH1 ASP 208.A O no hydrogen 3.043 N/A ARG 262.A NH1 SER 212.A OG no hydrogen 2.992 N/A ARG 262.A NH2 SER 212.A OG no hydrogen 2.755 N/A ILE 263.A N LEU 259.A O no hydrogen 3.086 N/A ALA 264.A N CYS 260.A O no hydrogen 2.852 N/A GLU 265.A N GLU 261.A O no hydrogen 2.769 N/A CYS 266.A N ARG 262.A O no hydrogen 2.947 N/A GLY 267.A N ALA 264.A O no hydrogen 2.961 N/A ARG 268.A NH1 SER 219.A OG no hydrogen 3.215 N/A ARG 268.A NH1 GLU 224.A O no hydrogen 2.589 N/A VAL 270.A N VAL 226.A O no hydrogen 2.599 N/A LEU 272.A N PRO 95.A O no hydrogen 3.281 N/A ASP 273.A N VAL 228.A O no hydrogen 2.886 N/A VAL 274.A N THR 97.A O no hydrogen 2.908 N/A VAL 275.A N TYR 230.A O no hydrogen 2.857 N/A GLU 276.A N GLY 100.A O no hydrogen 3.007 N/A ASN 278.A N ALA 242.A O no hydrogen 3.334 N/A ASN 278.A ND2 SER 17.A O no hydrogen 3.024 N/A LEU 281.A N ASN 278.A O no hydrogen 2.923 N/A SER 286.A N THR 284.A OG1 no hydrogen 3.139 N/A SER 286.A OG ASP 290.A OD1 no hydrogen 3.465 N/A HIS 287.A N THR 284.A O no hydrogen 2.964 N/A HIS 287.A N THR 284.A OG1 no hydrogen 3.087 N/A ASP 290.A N SER 286.A O no hydrogen 2.879 N/A THR 291.A N HIS 287.A O no hydrogen 2.950 N/A THR 291.A OG1 HIS 287.A O no hydrogen 2.833 N/A ILE 292.A N VAL 288.A O no hydrogen 2.937 N/A SER 293.A N ASN 289.A O no hydrogen 3.016 N/A SER 293.A OG ASN 289.A O no hydrogen 2.753 N/A SER 293.A OG ASP 290.A O no hydrogen 3.000 N/A VAL 294.A N ASP 290.A O no hydrogen 3.186 N/A GLY 295.A N THR 291.A O no hydrogen 3.106 N/A CYS 296.A N ILE 292.A O no hydrogen 3.076 N/A CYS 296.A SG LEU 26.A O no hydrogen 3.641 N/A CYS 296.A SG ILE 292.A O no hydrogen 3.681 N/A ALA 297.A N SER 293.A O no hydrogen 2.850 N/A ILE 298.A N VAL 294.A O no hydrogen 2.971 N/A ALA 299.A N GLY 295.A O no hydrogen 3.122 N/A ARG 300.A N CYS 296.A O no hydrogen 2.934 N/A CYS 301.A N ALA 297.A O no hydrogen 2.950 N/A CYS 301.A SG ALA 297.A O no hydrogen 3.308 N/A CYS 301.A SG GLU 305.A OE1 no hydrogen 3.496 N/A MET 302.A N ILE 298.A O no hydrogen 2.813 N/A MET 303.A N ALA 299.A O no hydrogen 2.912 N/A GLY 304.A N CYS 301.A O no hydrogen 3.468 N/A GLU 305.A N ARG 300.A O no hydrogen 2.776 N/A THR 306.A OG1 LEU 308.A O no hydrogen 2.863 N/A THR 306.A OG1 THR 310.A OG1 no hydrogen 3.126 N/A THR 310.A OG1 THR 306.A OG1 no hydrogen 3.126 N/A