Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2q1y_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): VAL 3.A N ASP 87.A OD2 no hydrogen 2.753 N/A LYS 5.A N MET 88.A O no hydrogen 2.958 N/A LYS 5.A NZ LEU 82.A O no hydrogen 3.012 N/A LYS 5.A NZ LEU 83.A O no hydrogen 3.156 N/A VAL 6.A N GLU 29.A O no hydrogen 2.805 N/A VAL 7.A N PHE 90.A O no hydrogen 2.712 N/A GLY 8.A N ILE 31.A O no hydrogen 2.920 N/A ILE 9.A N THR 92.A O no hydrogen 2.928 N/A GLY 10.A N ILE 33.A O no hydrogen 3.093 N/A VAL 14.A N GLY 10.A O no hydrogen 2.910 N/A ASN 15.A N GLY 11.A O no hydrogen 2.854 N/A ALA 16.A N GLY 12.A O no hydrogen 2.865 N/A VAL 17.A N GLY 13.A O no hydrogen 2.992 N/A ASN 18.A N VAL 14.A O no hydrogen 2.953 N/A ARG 19.A N ASN 15.A O no hydrogen 3.048 N/A MET 20.A N ALA 16.A O no hydrogen 2.928 N/A ILE 21.A N VAL 17.A O no hydrogen 2.969 N/A GLU 22.A N ASN 18.A O no hydrogen 2.876 N/A GLN 23.A N ARG 19.A O no hydrogen 2.875 N/A GLN 23.A NE2 GLU 22.A OE1 no hydrogen 2.637 N/A GLY 24.A N ILE 21.A O no hydrogen 3.155 N/A LEU 25.A N MET 20.A O no hydrogen 3.006 N/A GLU 29.A N ILE 4.A O no hydrogen 2.996 N/A PHE 30.A N ASP 46.A OD2 no hydrogen 2.754 N/A ILE 31.A N VAL 6.A O no hydrogen 2.923 N/A ALA 32.A N VAL 47.A O no hydrogen 2.721 N/A ILE 33.A N GLY 8.A O no hydrogen 2.994 N/A ASN 34.A N LEU 49.A O no hydrogen 3.223 N/A THR 35.A N ASN 34.A OD1 no hydrogen 2.761 N/A THR 35.A OG1 THR 99.A OG1 no hydrogen 2.628 N/A ALA 39.A N ASP 36.A OD1 no hydrogen 3.132 N/A LEU 40.A N ASP 36.A O no hydrogen 3.142 N/A LEU 41.A N ALA 37.A O no hydrogen 3.151 N/A MET 42.A N ALA 39.A O no hydrogen 3.142 N/A SER 43.A N LEU 40.A O no hydrogen 3.059 N/A ASP 44.A N ASN 18.A OD1 no hydrogen 3.143 N/A ALA 45.A N SER 43.A OG no hydrogen 3.120 N/A VAL 47.A N PHE 30.A O no hydrogen 3.020 N/A LYS 48.A NZ SER 43.A O no hydrogen 3.468 N/A LEU 49.A N ALA 32.A O no hydrogen 2.809 N/A VAL 51.A N ASN 34.A O no hydrogen 2.990 N/A SER 55.A OG GLY 52.A O no hydrogen 3.236 N/A THR 56.A N GLY 52.A O no hydrogen 2.954 N/A THR 56.A OG1 THR 35.A O no hydrogen 3.388 N/A THR 56.A OG1 GLY 52.A O no hydrogen 2.660 N/A ARG 57.A N ARG 53.A O no hydrogen 2.962 N/A GLY 58.A N THR 56.A OG1 no hydrogen 3.312 N/A LEU 59.A N THR 56.A O no hydrogen 3.252 N/A GLY 60.A N THR 35.A O no hydrogen 3.046 N/A ASP 64.A N ALA 61.A O no hydrogen 3.149 N/A GLU 66.A N ASP 64.A OD1 no hydrogen 3.142 N/A VAL 67.A N ASP 64.A O no hydrogen 3.109 N/A GLY 68.A N ASP 64.A O no hydrogen 3.422 N/A ARG 69.A N PRO 65.A O no hydrogen 2.912 N/A ARG 69.A NE GLU 66.A OE2 no hydrogen 2.581 N/A ARG 69.A NH2 GLU 66.A OE2 no hydrogen 2.957 N/A LYS 70.A N GLU 66.A O no hydrogen 3.069 N/A ALA 71.A N VAL 67.A O no hydrogen 2.929 N/A ALA 72.A N GLY 68.A O no hydrogen 3.135 N/A GLU 73.A N ARG 69.A O no hydrogen 2.873 N/A ASP 74.A N LYS 70.A O no hydrogen 2.790 N/A ALA 75.A N ALA 71.A O no hydrogen 3.314 N/A LYS 76.A N GLU 73.A O no hydrogen 3.005 N/A ILE 79.A N ALA 75.A O no hydrogen 2.918 N/A GLU 80.A N LYS 76.A O no hydrogen 2.887 N/A GLU 81.A N ASP 77.A O no hydrogen 2.936 N/A LEU 82.A N GLU 78.A O no hydrogen 3.088 N/A LEU 83.A N ILE 79.A O no hydrogen 3.033 N/A ARG 84.A N GLU 80.A O no hydrogen 2.887 N/A ALA 86.A N LEU 83.A O no hydrogen 3.054 N/A ASP 87.A N VAL 3.A O no hydrogen 2.719 N/A MET 88.A N VAL 3.A O no hydrogen 3.095 N/A VAL 89.A N LEU 117.A O no hydrogen 2.825 N/A PHE 90.A N LYS 5.A O no hydrogen 2.826 N/A VAL 91.A N VAL 119.A O no hydrogen 2.989 N/A THR 92.A N VAL 7.A O no hydrogen 2.712 N/A THR 92.A OG1 VAL 7.A O no hydrogen 3.134 N/A GLU 95.A N THR 123.A O no hydrogen 3.063 N/A GLY 96.A N THR 101.A OG1 no hydrogen 2.842 N/A THR 99.A OG1 THR 35.A OG1 no hydrogen 2.628 N/A THR 101.A OG1 GLY 97.A O no hydrogen 2.551 N/A GLY 102.A N GLY 98.A O no hydrogen 3.078 N/A GLY 103.A N THR 99.A O no hydrogen 2.835 N/A ALA 104.A N GLY 100.A O no hydrogen 2.942 N/A VAL 106.A N GLY 103.A O no hydrogen 3.069 N/A VAL 107.A N GLY 103.A O no hydrogen 3.271 N/A ALA 108.A N ALA 104.A O no hydrogen 2.958 N/A SER 109.A N PRO 105.A O no hydrogen 2.911 N/A SER 109.A OG PRO 105.A O no hydrogen 2.774 N/A SER 109.A OG SER 147.A OG no hydrogen 3.035 N/A ILE 110.A N VAL 106.A O no hydrogen 3.146 N/A ALA 111.A N VAL 107.A O no hydrogen 3.018 N/A ARG 112.A N ALA 108.A O no hydrogen 2.812 N/A LYS 113.A N SER 109.A O no hydrogen 2.799 N/A LYS 113.A NZ GLU 80.A OE1 no hydrogen 2.865 N/A LEU 114.A N ILE 110.A O no hydrogen 3.019 N/A GLY 115.A N ARG 112.A O no hydrogen 2.937 N/A ALA 116.A N ALA 111.A O no hydrogen 3.086 N/A LEU 117.A N ASP 87.A O no hydrogen 2.875 N/A THR 118.A N ASP 149.A OD2 no hydrogen 2.874 N/A THR 118.A OG1 ALA 116.A O no hydrogen 2.828 N/A VAL 119.A N VAL 89.A O no hydrogen 2.875 N/A GLY 120.A N THR 150.A O no hydrogen 2.821 N/A VAL 121.A N VAL 91.A O no hydrogen 3.024 N/A VAL 122.A N ILE 152.A O no hydrogen 2.992 N/A THR 123.A N ALA 93.A O no hydrogen 3.273 N/A ARG 124.A N ILE 154.A O no hydrogen 2.793 N/A ARG 124.A NH2 GLU 138.A OE1 no hydrogen 2.995 N/A PHE 126.A N GLU 129.A OE1 no hydrogen 3.023 N/A SER 127.A N ASP 157.A OD1 no hydrogen 2.863 N/A SER 127.A OG ASP 157.A OD2 no hydrogen 2.536 N/A GLU 129.A N PHE 126.A O no hydrogen 2.946 N/A GLY 130.A N SER 127.A O no hydrogen 3.203 N/A SER 134.A N GLY 130.A O no hydrogen 3.314 N/A SER 134.A OG GLY 130.A O no hydrogen 3.383 N/A ASN 135.A N LYS 131.A O no hydrogen 2.853 N/A GLN 136.A N ARG 132.A O no hydrogen 2.876 N/A GLN 136.A NE2 ALA 63.A O no hydrogen 3.069 N/A ALA 137.A N ARG 133.A O no hydrogen 2.838 N/A GLU 138.A N SER 134.A O no hydrogen 2.935 N/A ASN 139.A N ASN 135.A O no hydrogen 3.141 N/A GLY 140.A N GLN 136.A O no hydrogen 2.918 N/A ILE 141.A N ALA 137.A O no hydrogen 2.773 N/A ALA 142.A N GLU 138.A O no hydrogen 3.287 N/A ALA 143.A N ASN 139.A O no hydrogen 3.132 N/A LEU 144.A N GLY 140.A O no hydrogen 2.973 N/A ARG 145.A N ILE 141.A O no hydrogen 2.879 N/A GLU 146.A N ALA 142.A O no hydrogen 3.293 N/A GLU 146.A N ALA 143.A O no hydrogen 3.252 N/A SER 147.A N LEU 144.A O no hydrogen 3.098 N/A SER 147.A OG PRO 105.A O no hydrogen 3.289 N/A SER 147.A OG SER 109.A OG no hydrogen 3.035 N/A SER 147.A OG ALA 143.A O no hydrogen 3.267 N/A CYS 148.A SG LEU 144.A O no hydrogen 3.245 N/A ASP 149.A N THR 118.A O no hydrogen 2.814 N/A THR 150.A N THR 118.A O no hydrogen 3.349 N/A THR 150.A OG1 MET 208.A O no hydrogen 2.747 N/A LEU 151.A N GLY 212.A O no hydrogen 2.946 N/A ILE 152.A N GLY 120.A O no hydrogen 2.794 N/A VAL 153.A N ALA 214.A O no hydrogen 3.150 N/A ILE 154.A N VAL 122.A O no hydrogen 2.766 N/A ASN 156.A N ARG 124.A O no hydrogen 3.186 N/A ARG 158.A N PRO 155.A O no hydrogen 3.046 N/A ARG 158.A NE GLU 241.A OE2 no hydrogen 3.492 N/A ARG 158.A NH1 GLN 161.A OE1 no hydrogen 3.273 N/A LEU 159.A N ASN 156.A O no hydrogen 3.025 N/A LEU 160.A N ASP 157.A O no hydrogen 3.330 N/A GLN 161.A N ARG 158.A O no hydrogen 3.173 N/A MET 162.A N LEU 159.A O no hydrogen 3.030 N/A ASP 171.A N SER 168.A OG no hydrogen 3.262 N/A ALA 172.A N SER 168.A O no hydrogen 2.966 N/A PHE 173.A N LEU 169.A O no hydrogen 3.055 N/A ARG 174.A N MET 170.A O no hydrogen 3.056 N/A SER 175.A N ASP 171.A O no hydrogen 3.013 N/A SER 175.A OG ASP 171.A O no hydrogen 3.079 N/A ALA 176.A N ALA 172.A O no hydrogen 3.077 N/A ASP 177.A N PHE 173.A O no hydrogen 2.890 N/A GLU 178.A N ARG 174.A O no hydrogen 3.058 N/A VAL 179.A N SER 175.A O no hydrogen 3.039 N/A LEU 180.A N ALA 176.A O no hydrogen 3.089 N/A LEU 181.A N ASP 177.A O no hydrogen 2.970 N/A ASN 182.A N GLU 178.A O no hydrogen 2.742 N/A ASN 182.A ND2 GLU 178.A OE2 no hydrogen 3.174 N/A GLY 183.A N VAL 179.A O no hydrogen 2.981 N/A VAL 184.A N LEU 180.A O no hydrogen 3.172 N/A GLN 185.A N LEU 181.A O no hydrogen 2.817 N/A GLN 185.A NE2 ASP 189.A OD2 no hydrogen 2.995 N/A GLY 186.A N ASN 182.A O no hydrogen 2.853 N/A ILE 187.A N VAL 184.A O no hydrogen 2.951 N/A THR 188.A N VAL 184.A O no hydrogen 2.893 N/A THR 188.A OG1 VAL 184.A O no hydrogen 3.532 N/A ASP 189.A N GLN 185.A O no hydrogen 2.985 N/A LEU 190.A N ILE 187.A O no hydrogen 3.195 N/A ILE 191.A N THR 188.A O no hydrogen 3.039 N/A THR 192.A N THR 188.A O no hydrogen 2.917 N/A THR 192.A OG1 THR 188.A O no hydrogen 3.198 N/A THR 193.A N ASP 189.A O no hydrogen 2.857 N/A THR 193.A OG1 ILE 288.A O no hydrogen 2.831 N/A GLY 195.A N THR 286.A O no hydrogen 3.028 N/A ILE 197.A N THR 286.A OG1 no hydrogen 2.929 N/A ASP 200.A N ASP 203.A OD2 no hydrogen 3.157 N/A ASP 203.A N ASP 200.A OD1 no hydrogen 2.970 N/A VAL 204.A N ASP 200.A O no hydrogen 3.042 N/A LYS 205.A N PHE 201.A O no hydrogen 2.842 N/A LYS 205.A NZ GLY 115.A O no hydrogen 3.424 N/A GLY 206.A N ALA 202.A O no hydrogen 2.872 N/A ILE 207.A N ASP 203.A O no hydrogen 3.228 N/A MET 208.A N VAL 204.A O no hydrogen 2.857 N/A SER 209.A N LYS 205.A O no hydrogen 2.947 N/A SER 209.A OG LYS 205.A O no hydrogen 2.765 N/A GLY 210.A N ASP 149.A OD1 no hydrogen 3.040 N/A ALA 211.A N MET 208.A O no hydrogen 3.191 N/A GLY 212.A N ASP 149.A O no hydrogen 2.701 N/A ALA 214.A N LEU 151.A O no hydrogen 2.814 N/A LEU 215.A N ALA 302.A O no hydrogen 2.952 N/A GLY 217.A N VAL 300.A O no hydrogen 2.980 N/A GLY 219.A N VAL 298.A O no hydrogen 3.011 N/A ALA 221.A N VAL 296.A O no hydrogen 3.263 N/A ARG 222.A NH1 ASP 294.A OD1 no hydrogen 2.934 N/A ARG 226.A N GLY 223.A O no hydrogen 3.181 N/A ARG 226.A NE GLU 264.A OE1 no hydrogen 2.779 N/A ARG 226.A NE GLU 264.A OE2 no hydrogen 3.485 N/A ARG 226.A NH1 ASP 294.A O no hydrogen 2.801 N/A ARG 226.A NH2 GLU 264.A OE2 no hydrogen 2.966 N/A SER 227.A OG GLU 264.A OE1 no hydrogen 3.167 N/A LYS 229.A N GLY 225.A O no hydrogen 2.888 N/A ALA 230.A N ARG 226.A O no hydrogen 2.753 N/A ALA 231.A N SER 227.A O no hydrogen 3.051 N/A GLU 232.A N LEU 228.A O no hydrogen 3.060 N/A ILE 233.A N LYS 229.A O no hydrogen 2.911 N/A ALA 234.A N ALA 230.A O no hydrogen 3.025 N/A ILE 235.A N ALA 231.A O no hydrogen 2.921 N/A ASN 236.A N GLU 232.A O no hydrogen 3.029 N/A ASN 236.A N ILE 233.A O no hydrogen 3.196 N/A ASN 236.A ND2 GLU 232.A O no hydrogen 2.751 N/A SER 237.A N ALA 234.A O no hydrogen 3.182 N/A LEU 240.A N SER 237.A O no hydrogen 3.036 N/A GLU 241.A N PRO 238.A O no hydrogen 2.935 N/A SER 243.A N LEU 240.A O no hydrogen 3.060 N/A SER 243.A OG GLU 241.A O no hydrogen 3.111 N/A GLY 246.A N SER 243.A O no hydrogen 3.048 N/A ALA 247.A N MET 244.A O no hydrogen 3.259 N/A GLN 248.A N GLY 304.A O no hydrogen 2.880 N/A GLY 249.A N ALA 303.A O no hydrogen 3.077 N/A VAL 250.A N ASN 281.A O no hydrogen 2.887 N/A LEU 251.A N ILE 301.A O no hydrogen 2.947 N/A MET 252.A N ILE 283.A O no hydrogen 2.852 N/A SER 253.A N THR 299.A O no hydrogen 2.844 N/A SER 253.A OG GLY 186.A O no hydrogen 2.954 N/A ILE 254.A N GLY 285.A O no hydrogen 2.948 N/A ALA 255.A N ARG 297.A O no hydrogen 2.853 N/A GLY 256.A N VAL 287.A O no hydrogen 3.199 N/A SER 258.A N ASP 290.A OD1 no hydrogen 3.089 N/A SER 258.A OG ASP 290.A OD1 no hydrogen 3.209 N/A SER 258.A OG ASP 290.A OD2 no hydrogen 3.091 N/A LEU 260.A N GLY 257.A O no hydrogen 3.147 N/A ILE 265.A N GLY 261.A O no hydrogen 3.073 N/A ASN 266.A N LEU 262.A O no hydrogen 2.854 N/A GLU 267.A N PHE 263.A O no hydrogen 2.946 N/A ALA 268.A N GLU 264.A O no hydrogen 3.274 N/A ALA 269.A N ILE 265.A O no hydrogen 3.058 N/A SER 270.A N ASN 266.A O no hydrogen 2.851 N/A LEU 271.A N GLU 267.A O no hydrogen 3.138 N/A VAL 272.A N ALA 268.A O no hydrogen 3.053 N/A GLN 273.A N ALA 269.A O no hydrogen 2.910 N/A ASP 274.A N SER 270.A O no hydrogen 3.056 N/A ALA 275.A N LEU 271.A O no hydrogen 3.155 N/A ALA 276.A N GLN 273.A O no hydrogen 3.039 N/A ASP 279.A N HIS 277.A ND1 no hydrogen 3.008 N/A ALA 280.A N HIS 277.A O no hydrogen 3.069 N/A ASN 281.A N GLN 248.A O no hydrogen 2.842 N/A ILE 283.A N VAL 250.A O no hydrogen 2.954 N/A GLY 285.A N MET 252.A O no hydrogen 2.847 N/A THR 286.A N ILE 197.A O no hydrogen 3.014 N/A THR 286.A OG1 ILE 197.A O no hydrogen 2.945 N/A VAL 287.A N ILE 254.A O no hydrogen 2.951 N/A ILE 288.A N THR 193.A O no hydrogen 2.877 N/A ASP 289.A N GLY 256.A O no hydrogen 2.891 N/A SER 291.A N ASP 289.A OD1 no hydrogen 3.288 N/A SER 291.A OG ASP 289.A OD1 no hydrogen 2.956 N/A LEU 292.A N ASP 289.A O no hydrogen 3.281 N/A GLU 295.A N LEU 292.A O no hydrogen 3.266 N/A VAL 296.A N ALA 221.A O no hydrogen 3.023 N/A ARG 297.A N ALA 255.A O no hydrogen 2.926 N/A ARG 297.A NH2 ASP 289.A OD2 no hydrogen 2.922 N/A VAL 298.A N GLY 219.A O no hydrogen 2.823 N/A THR 299.A N SER 253.A O no hydrogen 2.849 N/A VAL 300.A N GLY 217.A O no hydrogen 2.896 N/A ILE 301.A N LEU 251.A O no hydrogen 2.789 N/A ALA 302.A N LEU 215.A O no hydrogen 2.819 N/A ALA 303.A N GLY 249.A O no hydrogen 2.790 N/A