Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 2aqw_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): PHE 2.A N GLU 227.A OE2 no hydrogen 3.005 N/A LYS 3.A N ASN 226.A O no hydrogen 3.203 N/A LYS 3.A NZ GLU 223.A OE1 no hydrogen 2.657 N/A THR 4.A OG1 HIS 1.A O no hydrogen 3.196 N/A LYS 5.A N HIS 1.A O no hydrogen 2.914 N/A LYS 5.A NZ ASN 128.A OD1 no hydrogen 3.469 N/A LYS 5.A NZ ASP 156.A OD1 no hydrogen 3.206 N/A LYS 5.A NZ ASP 156.A OD2 no hydrogen 3.121 N/A LEU 6.A N PHE 2.A O no hydrogen 2.917 N/A LYS 7.A N LYS 3.A O no hydrogen 3.118 N/A ASN 8.A N THR 4.A O no hydrogen 2.917 N/A ARG 9.A N LYS 5.A O no hydrogen 3.028 N/A ARG 9.A NE ALA 98.A O no hydrogen 2.823 N/A ARG 9.A NH2 ALA 98.A O no hydrogen 2.733 N/A ARG 10.A N LEU 6.A O no hydrogen 3.008 N/A ARG 10.A NH1 ASN 14.A OD1 no hydrogen 3.200 N/A ARG 10.A NH2 LYS 274.A O no hydrogen 3.385 N/A SER 11.A N LYS 7.A O no hydrogen 3.414 N/A SER 11.A N ASN 8.A O no hydrogen 2.720 N/A SER 11.A OG LYS 7.A O no hydrogen 3.233 N/A GLU 12.A N ASN 8.A O no hydrogen 3.216 N/A GLU 12.A N ARG 9.A O no hydrogen 2.809 N/A VAL 13.A N ARG 9.A O no hydrogen 2.927 N/A VAL 13.A N ARG 10.A O no hydrogen 3.266 N/A ASN 14.A N ARG 10.A O no hydrogen 2.551 N/A CYS 16.A SG TYR 276.A O no hydrogen 3.977 N/A CYS 16.A SG LEU 279.A O no hydrogen 3.492 N/A LEU 17.A N THR 15.A OG1 no hydrogen 3.055 N/A CYS 18.A N ILE 281.A O no hydrogen 2.658 N/A CYS 18.A SG VAL 100.A O no hydrogen 4.002 N/A ILE 19.A N VAL 100.A O no hydrogen 2.936 N/A GLY 20.A N VAL 283.A O no hydrogen 2.800 N/A LEU 21.A N LYS 102.A O no hydrogen 2.868 N/A ASP 24.A N ASP 27.A OD2 no hydrogen 2.777 N/A ASP 27.A N ASP 24.A OD1 no hydrogen 2.981 N/A ILE 28.A N ASP 24.A O no hydrogen 3.291 N/A LYS 29.A N GLU 25.A O no hydrogen 3.135 N/A ASN 30.A N ASP 26.A O no hydrogen 2.793 N/A PHE 31.A N ASP 27.A O no hydrogen 2.883 N/A ASN 33.A N ASN 30.A O no hydrogen 2.804 N/A GLU 34.A N PHE 31.A O no hydrogen 2.854 N/A GLN 36.A N LYS 32.A O no hydrogen 3.042 N/A ASN 37.A N ASN 33.A O no hydrogen 2.885 N/A ASN 37.A ND2 GLU 34.A OE2 no hydrogen 2.809 N/A TYR 39.A N GLU 34.A O no hydrogen 2.682 N/A LYS 40.A N ASN 37.A OD1 no hydrogen 2.873 N/A ASN 41.A N GLU 34.A OE1 no hydrogen 2.994 N/A ASN 41.A ND2 GLU 34.A OE2 no hydrogen 2.698 N/A ILE 42.A N GLU 34.A OE1 no hydrogen 2.950 N/A LYS 43.A N TYR 39.A O no hydrogen 2.816 N/A ASN 44.A N LYS 40.A O no hydrogen 3.237 N/A ASN 45.A N ASN 41.A O no hydrogen 2.888 N/A SER 47.A N ASN 44.A O no hydrogen 2.963 N/A ASN 48.A ND2 SER 127.A OG no hydrogen 2.647 N/A ASN 50.A N ASN 46.A O no hydrogen 2.987 N/A GLY 51.A N SER 47.A O no hydrogen 2.744 N/A ASN 54.A N ASN 50.A O no hydrogen 3.149 N/A ASN 54.A ND2 ASN 49.A O no hydrogen 3.132 N/A ILE 55.A N GLY 51.A O no hydrogen 2.750 N/A ILE 56.A N ILE 52.A O no hydrogen 3.191 N/A LYS 60.A NZ GLU 53.A O no hydrogen 3.521 N/A LYS 60.A NZ GLU 53.A OE1 no hydrogen 2.857 N/A LEU 63.A N GLY 59.A O no hydrogen 3.021 N/A LEU 64.A N LYS 60.A O no hydrogen 2.943 N/A THR 65.A N ILE 62.A O no hydrogen 2.975 N/A THR 65.A OG1 GLU 61.A O no hydrogen 3.370 N/A THR 65.A OG1 ILE 62.A O no hydrogen 2.831 N/A GLU 68.A N ASP 66.A OD1 no hydrogen 3.325 N/A ASN 69.A N ASP 66.A O no hydrogen 2.713 N/A ASN 72.A N ASN 69.A O no hydrogen 3.227 N/A LEU 73.A N ILE 70.A O no hydrogen 2.825 N/A ASP 77.A N SER 74.A OG no hydrogen 3.245 N/A LYS 78.A N SER 74.A O no hydrogen 2.673 N/A LYS 78.A NZ ILE 70.A O no hydrogen 2.997 N/A LYS 78.A NZ LEU 73.A O no hydrogen 3.057 N/A PHE 79.A N GLU 75.A O no hydrogen 3.042 N/A PHE 80.A N GLU 76.A O no hydrogen 2.943 N/A TYR 81.A N ASP 77.A O no hydrogen 2.899 N/A TYR 81.A OH THR 65.A O no hydrogen 3.035 N/A PHE 82.A N LYS 78.A O no hydrogen 3.207 N/A PHE 83.A N PHE 79.A O no hydrogen 2.887 N/A ASN 84.A N PHE 80.A O no hydrogen 2.932 N/A ASN 84.A ND2 PHE 80.A O no hydrogen 3.033 N/A HIS 85.A N TYR 81.A O no hydrogen 2.891 N/A HIS 85.A ND1 ASN 45.A OD1 no hydrogen 3.222 N/A HIS 85.A NE2 LEU 63.A O no hydrogen 2.862 N/A PHE 86.A N PHE 82.A O no hydrogen 2.664 N/A CYS 87.A N PHE 83.A O no hydrogen 3.168 N/A CYS 87.A SG PHE 83.A O no hydrogen 3.379 N/A PHE 88.A N ASN 84.A O no hydrogen 2.969 N/A TYR 89.A N HIS 85.A O no hydrogen 2.929 N/A ILE 90.A N PHE 86.A O no hydrogen 3.131 N/A ILE 91.A N CYS 87.A O no hydrogen 3.280 N/A ASN 92.A N PHE 88.A O no hydrogen 2.805 N/A ASN 93.A N TYR 89.A O no hydrogen 3.120 N/A ASN 93.A N ILE 90.A O no hydrogen 3.241 N/A ASN 93.A ND2 TYR 89.A O no hydrogen 2.867 N/A THR 94.A N ILE 91.A O no hydrogen 3.288 N/A THR 94.A OG1 ILE 90.A O no hydrogen 2.362 N/A THR 94.A OG1 TYR 101.A OH no hydrogen 2.670 N/A LYS 95.A N ILE 91.A O no hydrogen 3.014 N/A TYR 97.A N THR 94.A O no hydrogen 3.167 N/A ALA 98.A N LYS 95.A O no hydrogen 3.082 N/A LEU 99.A N LEU 17.A O no hydrogen 2.992 N/A TYR 101.A N PRO 130.A O no hydrogen 3.158 N/A TYR 101.A OH THR 94.A OG1 no hydrogen 2.670 N/A LYS 102.A N ILE 19.A O no hydrogen 2.885 N/A LYS 102.A NZ ASP 133.A OD2 no hydrogen 2.597 N/A PHE 104.A N ASP 133.A O no hydrogen 2.962 N/A ALA 105.A N ASN 103.A OD1 no hydrogen 2.837 N/A PHE 106.A N ASN 103.A O no hydrogen 3.151 N/A TYR 107.A N PHE 104.A O no hydrogen 2.836 N/A TYR 107.A OH LEU 21.A O no hydrogen 2.767 N/A ILE 108.A N PHE 104.A O no hydrogen 3.203 N/A GLY 111.A N ILE 108.A O no hydrogen 3.021 N/A ILE 115.A N GLY 111.A O no hydrogen 3.503 N/A ASN 116.A N SER 112.A O no hydrogen 2.994 N/A ALA 117.A N VAL 113.A O no hydrogen 3.209 N/A LEU 118.A N GLY 114.A O no hydrogen 2.812 N/A LYS 119.A N ILE 115.A O no hydrogen 3.009 N/A LYS 119.A NZ ASP 123.A OD1 no hydrogen 2.895 N/A LYS 119.A NZ ASP 123.A OD2 no hydrogen 2.954 N/A ASN 120.A N ASN 116.A O no hydrogen 3.147 N/A ASN 120.A ND2 ILE 58.A O no hydrogen 2.928 N/A ASN 120.A ND2 ASN 84.A OD1 no hydrogen 3.121 N/A VAL 121.A N ALA 117.A O no hydrogen 2.779 N/A PHE 122.A N LEU 118.A O no hydrogen 3.056 N/A ASP 123.A N LYS 119.A O no hydrogen 2.927 N/A TYR 124.A N ASN 120.A O no hydrogen 2.891 N/A TYR 124.A OH ASN 92.A OD1 no hydrogen 2.529 N/A LEU 125.A N VAL 121.A O no hydrogen 2.909 N/A ASN 126.A N PHE 122.A O no hydrogen 2.637 N/A ASN 126.A ND2 LEU 153.A O no hydrogen 3.467 N/A ASN 126.A ND2 LYS 154.A O no hydrogen 3.009 N/A SER 127.A N ASP 123.A O no hydrogen 2.874 N/A SER 127.A OG TYR 124.A O no hydrogen 2.774 N/A ILE 129.A N LEU 125.A O no hydrogen 3.208 N/A THR 131.A N ASP 156.A OD2 no hydrogen 2.792 N/A THR 131.A OG1 ASP 156.A OD2 no hydrogen 3.427 N/A LYS 134.A NZ ASP 133.A OD1 no hydrogen 2.571 N/A LYS 134.A NZ ASP 133.A OD2 no hydrogen 3.009 N/A ILE 135.A N THR 159.A O no hydrogen 3.302 N/A ASN 136.A ND2 LYS 134.A O no hydrogen 3.412 N/A ILE 138.A N ASP 137.A OD2 no hydrogen 2.733 N/A VAL 142.A N ILE 138.A O no hydrogen 2.786 N/A LYS 143.A N GLY 139.A O no hydrogen 3.362 N/A ASN 144.A N THR 141.A O no hydrogen 3.095 N/A TYR 145.A N VAL 142.A O no hydrogen 2.928 N/A ARG 146.A N VAL 142.A O no hydrogen 3.110 N/A ARG 146.A NH1 PHE 172.A O no hydrogen 2.803 N/A LYS 147.A N LYS 143.A O no hydrogen 2.998 N/A PHE 148.A N ASN 144.A O no hydrogen 3.058 N/A ILE 149.A N TYR 145.A O no hydrogen 2.829 N/A PHE 150.A N ARG 146.A O no hydrogen 2.864 N/A GLU 151.A N LYS 147.A O no hydrogen 2.948 N/A TYR 152.A N LYS 147.A O no hydrogen 2.880 N/A LEU 153.A N PHE 148.A O no hydrogen 2.909 N/A SER 155.A N ILE 149.A O no hydrogen 2.946 N/A SER 155.A OG SER 157.A O no hydrogen 2.682 N/A ASP 156.A N THR 131.A OG1 no hydrogen 3.098 N/A SER 157.A N SER 155.A OG no hydrogen 3.290 N/A SER 157.A OG THR 131.A O no hydrogen 3.077 N/A CYS 158.A SG THR 159.A O no hydrogen 3.944 N/A THR 159.A N LEU 132.A O no hydrogen 3.217 N/A THR 159.A OG1 ASP 133.A OD1 no hydrogen 2.756 N/A ILE 160.A N TYR 183.A O no hydrogen 2.952 N/A ASN 161.A N ILE 135.A O no hydrogen 2.925 N/A TYR 163.A N ASN 161.A OD1 no hydrogen 2.927 N/A LYS 168.A N ASN 166.A O no hydrogen 2.982 N/A ILE 170.A N LEU 167.A O no hydrogen 3.403 N/A CYS 171.A N LEU 167.A O no hydrogen 2.847 N/A ASP 173.A N LYS 178.A O no hydrogen 2.858 N/A LYS 176.A N ASP 173.A OD1 no hydrogen 3.209 N/A ASN 177.A N TYR 174.A O no hydrogen 2.977 N/A LYS 178.A N ASP 173.A O no hydrogen 2.988 N/A TYR 179.A OH LEU 220.A O no hydrogen 3.148 N/A TYR 180.A N CYS 171.A O no hydrogen 2.864 N/A SER 181.A OG GLU 227.A OE1 no hydrogen 2.371 N/A ALA 182.A N PHE 228.A O no hydrogen 3.197 N/A TYR 183.A N CYS 158.A O no hydrogen 2.832 N/A VAL 184.A N GLY 230.A O no hydrogen 2.757 N/A LEU 185.A N ILE 160.A O no hydrogen 3.026 N/A ILE 186.A N VAL 232.A O no hydrogen 2.969 N/A LYS 187.A N VAL 232.A O no hydrogen 2.860 N/A LYS 187.A NZ SER 193.A OG no hydrogen 3.073 N/A LYS 187.A NZ ASN 198.A OD1 no hydrogen 2.878 N/A THR 188.A N GLN 197.A OE1 no hydrogen 3.174 N/A THR 188.A OG1 ASN 190.A OD1 no hydrogen 2.773 N/A THR 189.A OG1 GLN 260.A OE1 no hydrogen 2.563 N/A ASN 190.A ND2 ASP 192.A OD1 no hydrogen 2.782 N/A SER 193.A N ASN 190.A O no hydrogen 3.027 N/A SER 193.A OG THR 188.A O no hydrogen 2.924 N/A SER 193.A OG ASN 190.A O no hydrogen 3.309 N/A ILE 195.A N ASP 192.A O no hydrogen 3.116 N/A GLN 197.A NE2 THR 188.A OG1 no hydrogen 3.022 N/A ASN 198.A N PHE 194.A O no hydrogen 2.939 N/A ASN 198.A ND2 GLU 240.A OE2 no hydrogen 2.926 N/A GLU 199.A N PHE 194.A O no hydrogen 2.949 N/A LEU 200.A N PHE 196.A O no hydrogen 3.421 N/A ILE 202.A N LYS 205.A O no hydrogen 2.855 N/A ASP 204.A N SER 201.A OG no hydrogen 3.190 N/A LYS 205.A N ILE 202.A O no hydrogen 3.223 N/A LYS 205.A NZ ASP 212.A OD2 no hydrogen 2.545 N/A ALA 207.A N LEU 200.A O no hydrogen 2.688 N/A TYR 208.A N GLN 197.A O no hydrogen 3.099 N/A ILE 209.A N GLN 206.A O no hydrogen 3.015 N/A VAL 210.A N GLN 206.A O no hydrogen 3.222 N/A ASP 212.A N ILE 209.A O no hydrogen 2.927 N/A GLU 213.A N VAL 210.A O no hydrogen 2.845 N/A GLN 215.A N ALA 211.A O no hydrogen 3.032 N/A GLN 215.A NE2 ILE 229.A O no hydrogen 2.777 N/A LYS 216.A N ASP 212.A O no hydrogen 2.914 N/A THR 218.A N GLN 215.A O no hydrogen 2.766 N/A THR 218.A OG1 LYS 216.A O no hydrogen 3.558 N/A GLU 219.A N LYS 216.A O no hydrogen 2.947 N/A LYS 221.A N THR 218.A O no hydrogen 3.015 N/A ILE 222.A N ALA 217.A O no hydrogen 3.455 N/A GLN 224.A N LYS 221.A O no hydrogen 3.182 N/A GLN 224.A NE2 GLN 224.A O no hydrogen 3.556 N/A ASN 225.A N ILE 222.A O no hydrogen 3.050 N/A ASN 226.A N GLU 223.A O no hydrogen 2.703 N/A PHE 228.A N SER 181.A OG no hydrogen 3.174 N/A GLY 230.A N ALA 182.A O no hydrogen 2.736 N/A PHE 231.A N TYR 251.A O no hydrogen 2.918 N/A VAL 232.A N VAL 184.A O no hydrogen 2.723 N/A VAL 233.A N LEU 253.A O no hydrogen 3.070 N/A GLY 234.A N LYS 187.A O no hydrogen 2.881 N/A SER 235.A N PRO 255.A O no hydrogen 2.866 N/A SER 235.A OG PRO 255.A O no hydrogen 2.934 N/A ASN 236.A ND2 THR 189.A O no hydrogen 2.909 N/A ALA 237.A N GLY 234.A O no hydrogen 2.897 N/A GLU 240.A N GLU 240.A OE1 no hydrogen 2.717 N/A ILE 242.A N GLU 239.A O no hydrogen 3.261 N/A ILE 243.A N GLU 240.A O no hydrogen 3.063 N/A ARG 244.A NE GLY 271.A O no hydrogen 3.013 N/A ARG 244.A NE TYR 272.A O no hydrogen 3.203 N/A ARG 244.A NH1 PHE 247.A O no hydrogen 3.463 N/A ARG 244.A NH1 SER 250.A O no hydrogen 2.674 N/A ARG 244.A NH2 SER 250.A O no hydrogen 3.232 N/A ARG 244.A NH2 GLY 271.A O no hydrogen 3.451 N/A ARG 244.A NH2 LYS 278.A O no hydrogen 2.681 N/A ASN 245.A N LYS 241.A O no hydrogen 3.179 N/A LYS 246.A N ILE 242.A O no hydrogen 3.032 N/A LYS 246.A NZ ASP 212.A OD1 no hydrogen 2.979 N/A LYS 246.A NZ ASP 212.A OD2 no hydrogen 2.736 N/A PHE 247.A N ILE 243.A O no hydrogen 2.756 N/A SER 250.A N PHE 247.A O no hydrogen 3.345 N/A SER 250.A OG PHE 247.A O no hydrogen 2.618 N/A ILE 252.A N LYS 278.A O no hydrogen 2.871 N/A LEU 253.A N PHE 231.A O no hydrogen 2.691 N/A SER 254.A N LEU 280.A O no hydrogen 2.754 N/A SER 254.A OG VAL 233.A O no hydrogen 2.862 N/A ASN 261.A N GLY 258.A O no hydrogen 2.750 N/A GLY 262.A N GLY 256.A O no hydrogen 2.776 N/A ASP 263.A N SER 235.A O no hydrogen 3.306 N/A LYS 266.A N ASP 263.A OD1 no hydrogen 2.996 N/A LYS 266.A NZ ASP 263.A OD2 no hydrogen 2.938 N/A THR 267.A N ASP 263.A O no hydrogen 3.253 N/A THR 267.A OG1 ASP 263.A O no hydrogen 2.575 N/A LEU 268.A N LEU 264.A O no hydrogen 3.159 N/A LYS 269.A N TYR 265.A O no hydrogen 2.982 N/A ASN 270.A N LYS 266.A O no hydrogen 2.953 N/A GLY 271.A N THR 267.A O no hydrogen 2.726 N/A LYS 274.A NZ ASP 275.A OD2 no hydrogen 3.503 N/A ASP 275.A N ASN 273.A OD1 no hydrogen 3.074 N/A GLU 277.A N GLU 277.A OE1 no hydrogen 3.076 N/A LYS 278.A N ASP 275.A O no hydrogen 2.995 N/A LYS 278.A NZ ASP 249.A O no hydrogen 2.340 N/A LEU 279.A N TYR 276.A O no hydrogen 2.866 N/A LEU 280.A N ILE 252.A O no hydrogen 2.987 N/A ILE 281.A N CYS 16.A O no hydrogen 2.997 N/A ASN 282.A N SER 254.A O no hydrogen 3.084 N/A VAL 283.A N CYS 18.A O no hydrogen 2.712 N/A ILE 287.A N GLY 284.A O no hydrogen 2.920 N/A THR 288.A N GLY 284.A O no hydrogen 2.892 N/A THR 288.A OG1 GLY 284.A O no hydrogen 3.271 N/A LYS 289.A N ARG 285.A O no hydrogen 2.952 N/A LYS 289.A NZ ASP 24.A OD1 no hydrogen 3.046 N/A LYS 289.A NZ ASP 24.A OD2 no hydrogen 2.879 N/A LYS 289.A NZ ASP 27.A OD1 no hydrogen 2.760 N/A SER 290.A N ILE 287.A O no hydrogen 3.186 N/A ASP 292.A N SER 290.A OG no hydrogen 3.170 N/A LYS 294.A NZ ASN 93.A O no hydrogen 3.220 N/A LYS 294.A NZ GLU 96.A OE2 no hydrogen 3.099 N/A LYS 295.A N ASP 292.A OD1 no hydrogen 3.028 N/A LYS 295.A NZ GLU 298.A OE2 no hydrogen 2.793 N/A SER 296.A N ASP 292.A O no hydrogen 2.858 N/A SER 296.A OG ALA 286.A O no hydrogen 2.701 N/A SER 297.A N PRO 293.A O no hydrogen 2.738 N/A SER 297.A OG PRO 293.A O no hydrogen 2.951 N/A SER 297.A OG LYS 294.A O no hydrogen 2.691 N/A GLU 298.A N LYS 294.A O no hydrogen 2.734 N/A SER 299.A N LYS 295.A O no hydrogen 2.904 N/A SER 299.A OG GLN 303.A OE1 no hydrogen 3.452 N/A TYR 300.A N SER 296.A O no hydrogen 3.182 N/A TYR 301.A N SER 297.A O no hydrogen 2.899 N/A ASN 302.A N GLU 298.A O no hydrogen 2.741 N/A GLN 303.A N SER 299.A O no hydrogen 2.664 N/A ILE 304.A N TYR 300.A O no hydrogen 2.867 N/A ILE 305.A N TYR 301.A O no hydrogen 3.020 N/A GLN 306.A N ASN 302.A O no hydrogen 3.269 N/A GLN 306.A N GLN 303.A O no hydrogen 3.196 N/A ILE 307.A N GLN 303.A O no hydrogen 3.206 N/A PHE 308.A N ILE 304.A O no hydrogen 3.124 N/A ASP 310.A N ILE 307.A O no hydrogen 3.027 N/A