Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4c4y_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): MET 4.A N PRO 1.A O no hydrogen 3.234 N/A HIS 6.A ND1 HIS 18.A NE2 no hydrogen 2.810 N/A HIS 6.A NE2 PRO 1.A O no hydrogen 2.853 N/A GLY 7.A N PHE 19.A O no hydrogen 2.763 N/A TYR 8.A OH GLU 65.A OE2 no hydrogen 2.721 N/A VAL 9.A N LEU 17.A O no hydrogen 2.886 N/A LYS 12.A N VAL 15.A O no hydrogen 3.225 N/A LYS 12.A NZ GLU 83.A OE2 no hydrogen 3.250 N/A VAL 15.A N LYS 12.A O no hydrogen 2.944 N/A ARG 16.A N SER 67.A OG no hydrogen 2.800 N/A LEU 17.A N VAL 9.A O no hydrogen 2.794 N/A HIS 18.A N SER 66.A OG no hydrogen 2.758 N/A HIS 18.A ND1 ASP 59.A OD2 no hydrogen 2.892 N/A HIS 18.A NE2 HIS 6.A ND1 no hydrogen 2.810 N/A PHE 19.A N GLY 7.A O no hydrogen 2.962 N/A VAL 20.A N ALA 57.A O no hydrogen 2.995 N/A GLU 21.A N SER 5.A O no hydrogen 3.096 N/A LEU 22.A N VAL 55.A O no hydrogen 3.330 N/A VAL 28.A N ARG 54.A O no hydrogen 2.810 N/A CYS 29.A N VAL 97.A O no hydrogen 2.774 N/A LEU 30.A N LEU 56.A O no hydrogen 3.056 N/A CYS 31.A N ILE 99.A O no hydrogen 2.907 N/A HIS 32.A ND1 GLY 33.A O no hydrogen 2.907 N/A PHE 34.A N ASP 102.A OD2 no hydrogen 3.195 N/A GLU 36.A N GLY 33.A O no hydrogen 3.222 N/A SER 37.A OG ASP 59.A OD1 no hydrogen 3.053 N/A TRP 38.A N ASP 59.A OD1 no hydrogen 3.286 N/A SER 40.A N SER 37.A O no hydrogen 3.260 N/A SER 40.A OG GLU 36.A OE2 no hydrogen 2.719 N/A SER 40.A OG TYR 217.A OH no hydrogen 2.896 N/A TRP 41.A N TRP 38.A O no hydrogen 3.104 N/A ARG 42.A N TYR 39.A O no hydrogen 3.266 N/A ARG 42.A NH1 TYR 39.A O no hydrogen 2.844 N/A ARG 42.A NH1 TYR 217.A OH no hydrogen 3.448 N/A GLN 44.A N TRP 41.A O no hydrogen 2.835 N/A GLN 44.A NE2 PRO 298.A O no hydrogen 3.626 N/A GLN 44.A NE2 ASN 302.A OD1 no hydrogen 2.907 N/A ILE 45.A N TRP 41.A O no hydrogen 2.930 N/A LEU 48.A N GLN 44.A O no hydrogen 2.931 N/A ALA 49.A N ILE 45.A O no hydrogen 3.322 N/A GLN 50.A N PRO 46.A O no hydrogen 3.042 N/A GLY 52.A N ALA 49.A O no hydrogen 3.322 N/A TYR 53.A OH ASP 310.A OD1 no hydrogen 2.675 N/A ARG 54.A N PRO 26.A O no hydrogen 2.935 N/A ARG 54.A NE GLU 21.A OE2 no hydrogen 2.843 N/A ARG 54.A NH2 GLU 21.A OE2 no hydrogen 2.822 N/A VAL 55.A N LEU 22.A O no hydrogen 2.914 N/A LEU 56.A N VAL 28.A O no hydrogen 2.803 N/A ALA 57.A N VAL 20.A O no hydrogen 3.129 N/A MET 58.A N LEU 30.A O no hydrogen 3.073 N/A ASP 59.A N HIS 18.A O no hydrogen 2.913 N/A MET 60.A N HIS 32.A NE2 no hydrogen 2.924 N/A LYS 61.A NZ GLU 74.A O no hydrogen 2.779 N/A LYS 61.A NZ GLU 74.A OE1 no hydrogen 3.187 N/A LYS 61.A NZ GLU 83.A OE2 no hydrogen 2.733 N/A GLY 62.A N SER 67.A O no hydrogen 3.096 N/A TYR 63.A N MET 60.A O no hydrogen 2.922 N/A GLU 65.A N ASP 59.A OD2 no hydrogen 2.976 N/A SER 66.A N TYR 63.A O no hydrogen 2.998 N/A SER 66.A OG ASP 59.A O no hydrogen 2.633 N/A SER 67.A N ARG 16.A O no hydrogen 2.863 N/A SER 67.A OG ARG 16.A O no hydrogen 3.385 N/A TYR 75.A N ILE 72.A O no hydrogen 2.980 N/A TYR 75.A OH PRO 69.A O no hydrogen 3.181 N/A CYS 76.A N GLU 73.A O no hydrogen 3.484 N/A CYS 76.A SG GLU 73.A O no hydrogen 3.289 N/A MET 77.A N ASN 239.A OD1 no hydrogen 2.781 N/A LEU 80.A N CYS 76.A O no hydrogen 3.146 N/A CYS 81.A N MET 77.A O no hydrogen 3.038 N/A CYS 81.A SG MET 77.A O no hydrogen 3.250 N/A CYS 81.A SG LEU 107.A O no hydrogen 3.930 N/A LYS 82.A N GLU 78.A O no hydrogen 3.288 N/A LYS 82.A NZ GLU 78.A OE2 no hydrogen 2.803 N/A GLU 83.A N VAL 79.A O no hydrogen 3.024 N/A MET 84.A N LEU 80.A O no hydrogen 3.153 N/A VAL 85.A N CYS 81.A O no hydrogen 3.085 N/A THR 86.A N LYS 82.A O no hydrogen 3.113 N/A THR 86.A OG1 LYS 82.A O no hydrogen 2.877 N/A PHE 87.A N GLU 83.A O no hydrogen 2.994 N/A LEU 88.A N MET 84.A O no hydrogen 3.374 N/A ASP 89.A N VAL 85.A O no hydrogen 3.020 N/A LYS 90.A N THR 86.A O no hydrogen 2.859 N/A LYS 90.A NZ THR 10.A O no hydrogen 2.750 N/A LEU 91.A N PHE 87.A O no hydrogen 3.233 N/A GLY 92.A N ASP 89.A O no hydrogen 3.434 N/A LEU 93.A N LEU 88.A O no hydrogen 2.800 N/A ALA 96.A N ARG 118.A O no hydrogen 3.059 N/A VAL 97.A N ALA 27.A O no hydrogen 2.925 N/A PHE 98.A N ALA 121.A O no hydrogen 3.242 N/A ILE 99.A N CYS 29.A O no hydrogen 2.821 N/A GLY 100.A N ALA 123.A O no hydrogen 3.043 N/A HIS 101.A N CYS 31.A O no hydrogen 3.000 N/A HIS 101.A NE2 HIS 291.A O no hydrogen 2.878 N/A GLY 104.A N HIS 101.A O no hydrogen 3.132 N/A GLY 105.A N ASP 102.A O no hydrogen 3.139 N/A MET 106.A N ASP 102.A O no hydrogen 3.397 N/A LEU 107.A N TRP 103.A O no hydrogen 3.277 N/A VAL 108.A N GLY 104.A O no hydrogen 3.038 N/A TRP 109.A N GLY 105.A O no hydrogen 3.233 N/A TRP 109.A NE1 THR 127.A O no hydrogen 2.929 N/A TYR 110.A N MET 106.A O no hydrogen 3.207 N/A MET 111.A N LEU 107.A O no hydrogen 2.931 N/A ALA 112.A N VAL 108.A O no hydrogen 3.165 N/A LEU 113.A N TRP 109.A O no hydrogen 3.177 N/A PHE 114.A N TYR 110.A O no hydrogen 2.935 N/A TYR 115.A N MET 111.A O no hydrogen 3.023 N/A ARG 118.A N TYR 115.A O no hydrogen 3.412 N/A ARG 118.A NE SER 94.A O no hydrogen 2.826 N/A ARG 118.A NH1 ASP 89.A OD1 no hydrogen 2.815 N/A ARG 118.A NH2 ASP 89.A OD1 no hydrogen 2.813 N/A ARG 118.A NH2 LEU 93.A O no hydrogen 2.776 N/A VAL 119.A N PRO 116.A O no hydrogen 3.331 N/A ARG 120.A N ALA 96.A O no hydrogen 3.195 N/A ARG 120.A NE ALA 313.A O no hydrogen 3.064 N/A ARG 120.A NH1 ARG 120.A O no hydrogen 3.334 N/A VAL 122.A N PRO 254.A O no hydrogen 2.894 N/A ALA 123.A N PHE 98.A O no hydrogen 3.243 N/A SER 124.A N LEU 256.A O no hydrogen 3.030 N/A SER 124.A OG THR 127.A O no hydrogen 2.733 N/A LEU 125.A N GLY 100.A O no hydrogen 2.789 N/A ASN 126.A N VAL 258.A O no hydrogen 2.738 N/A THR 127.A N LEU 125.A O no hydrogen 2.804 N/A THR 127.A OG1 ASP 102.A O no hydrogen 2.648 N/A SER 141.A N SER 137.A O no hydrogen 3.393 N/A SER 141.A OG SER 137.A O no hydrogen 3.434 N/A ILE 142.A N PRO 138.A O no hydrogen 3.363 N/A LYS 143.A N LEU 139.A O no hydrogen 3.179 N/A ALA 144.A N GLU 140.A O no hydrogen 3.015 N/A ASP 149.A N PRO 146.A O no hydrogen 3.314 N/A GLN 151.A N PHE 148.A O no hydrogen 3.389 N/A TYR 153.A OH GLU 163.A OE1 no hydrogen 2.979 N/A PHE 154.A N TYR 150.A O no hydrogen 3.308 N/A PHE 154.A N GLN 151.A O no hydrogen 3.192 N/A GLN 155.A N LEU 152.A O no hydrogen 3.433 N/A GLN 155.A NE2 TYR 233.A O no hydrogen 2.773 N/A GLY 158.A N GLU 161.A OE1 no hydrogen 2.988 N/A GLY 158.A N GLU 161.A OE2 no hydrogen 3.339 N/A GLU 161.A N GLU 161.A OE1 no hydrogen 2.886 N/A ALA 162.A N GLY 158.A O no hydrogen 3.249 N/A LEU 164.A N ALA 160.A O no hydrogen 3.002 N/A GLU 165.A N GLU 161.A O no hydrogen 2.877 N/A ARG 170.A NE PRO 200.A O no hydrogen 2.868 N/A ARG 170.A NH2 SER 199.A O no hydrogen 3.169 N/A THR 171.A N ASN 167.A O no hydrogen 2.851 N/A THR 171.A OG1 LEU 164.A O no hydrogen 2.913 N/A THR 171.A OG1 ASN 167.A O no hydrogen 2.735 N/A PHE 172.A N LEU 168.A O no hydrogen 3.104 N/A LYS 173.A N SER 169.A O no hydrogen 3.147 N/A SER 174.A N ARG 170.A O no hydrogen 3.218 N/A SER 174.A OG ARG 170.A O no hydrogen 2.727 N/A SER 174.A OG SER 199.A OG no hydrogen 2.801 N/A LEU 175.A N THR 171.A O no hydrogen 3.173 N/A PHE 176.A N PHE 172.A O no hydrogen 2.951 N/A ARG 177.A N LEU 175.A O no hydrogen 2.864 N/A ARG 177.A NE GLU 181.A O no hydrogen 2.781 N/A ARG 177.A NH1 SER 204.A O no hydrogen 2.752 N/A ARG 177.A NH2 SER 204.A OG no hydrogen 3.231 N/A SER 179.A OG LYS 262.A O no hydrogen 2.625 N/A GLU 181.A N ALA 178.A O no hydrogen 2.857 N/A LEU 195.A N GLU 163.A OE1 no hydrogen 2.782 N/A PHE 196.A N GLU 163.A OE2 no hydrogen 3.304 N/A SER 199.A OG SER 174.A OG no hydrogen 2.801 N/A SER 206.A OG GLU 181.A OE1 no hydrogen 2.716 N/A ARG 207.A NH1 ASP 180.A OD1 no hydrogen 2.783 N/A ARG 207.A NH2 ASP 180.A OD1 no hydrogen 3.347 N/A ARG 207.A NH2 ASP 180.A OD2 no hydrogen 2.776 N/A THR 210.A N GLU 213.A OE1 no hydrogen 3.090 N/A ILE 214.A N THR 210.A O no hydrogen 3.153 N/A GLN 215.A N GLU 211.A O no hydrogen 3.281 N/A TYR 217.A OH SER 40.A OG no hydrogen 2.896 N/A VAL 218.A N ILE 214.A O no hydrogen 3.290 N/A GLN 219.A N GLN 215.A O no hydrogen 3.092 N/A GLN 220.A N PHE 216.A O no hydrogen 3.082 N/A PHE 221.A N TYR 217.A O no hydrogen 3.155 N/A LYS 222.A NZ GLN 219.A OE1 no hydrogen 2.914 N/A GLY 225.A N PHE 221.A O no hydrogen 2.984 N/A PHE 226.A N GLU 165.A OE2 no hydrogen 2.990 N/A ARG 227.A NE PRO 70.A O no hydrogen 3.150 N/A LEU 230.A N PHE 226.A O no hydrogen 3.061 N/A ASN 231.A N ARG 227.A O no hydrogen 3.213 N/A ASN 231.A N GLY 228.A O no hydrogen 3.154 N/A ASN 231.A ND2 PRO 70.A O no hydrogen 3.168 N/A TRP 232.A NE1 LYS 61.A O no hydrogen 3.182 N/A TYR 233.A N LEU 230.A O no hydrogen 3.160 N/A ARG 234.A N ASN 231.A O no hydrogen 3.244 N/A ARG 234.A NE PHE 154.A O no hydrogen 2.751 N/A ARG 234.A NH1 GLU 161.A OE2 no hydrogen 2.831 N/A ARG 234.A NH1 ASN 231.A OD1 no hydrogen 2.872 N/A ARG 234.A NH2 PHE 154.A O no hydrogen 3.160 N/A ARG 234.A NH2 GLU 161.A OE1 no hydrogen 2.755 N/A ARG 234.A NH2 GLU 161.A OE2 no hydrogen 3.357 N/A ASN 235.A ND2 ILE 72.A O no hydrogen 2.812 N/A ASN 235.A ND2 ASN 231.A O no hydrogen 2.752 N/A ARG 238.A NH1 ASN 235.A OD1 no hydrogen 3.140 N/A ASN 239.A N ASN 235.A O no hydrogen 2.842 N/A TRP 240.A NE1 ASN 133.A O no hydrogen 2.814 N/A LYS 241.A N GLU 237.A O no hydrogen 3.447 N/A TRP 242.A N ARG 238.A O no hydrogen 3.240 N/A ALA 243.A N ASN 239.A O no hydrogen 2.888 N/A CYS 244.A N TRP 240.A O no hydrogen 2.970 N/A CYS 244.A SG TRP 240.A O no hydrogen 3.285 N/A LYS 245.A N TRP 242.A O no hydrogen 3.302 N/A SER 246.A N ALA 243.A O no hydrogen 3.425 N/A SER 246.A OG ALA 243.A O no hydrogen 2.665 N/A ARG 249.A N SER 246.A O no hydrogen 2.936 N/A LEU 256.A N VAL 122.A O no hydrogen 2.839 N/A MET 257.A N LYS 282.A O no hydrogen 2.908 N/A VAL 258.A N SER 124.A O no hydrogen 2.824 N/A THR 259.A N GLY 284.A O no hydrogen 3.059 N/A THR 259.A OG1 HIS 285.A ND1 no hydrogen 2.782 N/A GLU 261.A N ILE 286.A O no hydrogen 3.216 N/A LYS 262.A N CYS 289.A O no hydrogen 2.844 N/A LYS 262.A NZ ASP 288.A OD1 no hydrogen 3.081 N/A ASP 263.A N ALA 260.A O no hydrogen 3.245 N/A VAL 265.A N ASP 263.A OD1 no hydrogen 3.356 N/A LEU 266.A N ASP 263.A OD1 no hydrogen 3.335 N/A MET 270.A N VAL 267.A O no hydrogen 3.146 N/A SER 271.A N PRO 268.A O no hydrogen 3.335 N/A SER 271.A OG PRO 268.A O no hydrogen 2.650 N/A GLN 272.A N GLN 269.A O no hydrogen 3.246 N/A ILE 278.A N MET 274.A O no hydrogen 3.023 N/A LYS 282.A N ALA 255.A O no hydrogen 3.037 N/A LYS 282.A NZ HIS 280.A NE2 no hydrogen 3.341 N/A ARG 283.A NE GLU 275.A OE1 no hydrogen 3.023 N/A ARG 283.A NH1 SER 271.A OG no hydrogen 3.223 N/A ARG 283.A NH2 SER 271.A O no hydrogen 2.734 N/A ARG 283.A NH2 GLU 275.A OE1 no hydrogen 3.506 N/A ARG 283.A NH2 GLU 275.A OE2 no hydrogen 2.786 N/A GLY 284.A N MET 257.A O no hydrogen 3.115 N/A HIS 285.A ND1 THR 259.A OG1 no hydrogen 2.782 N/A ILE 286.A N THR 259.A O no hydrogen 3.054 N/A ASP 288.A N GLU 261.A OE1 no hydrogen 3.096 N/A CYS 289.A SG GLY 290.A O no hydrogen 3.586 N/A HIS 291.A ND1 ASP 263.A OD1 no hydrogen 3.060 N/A HIS 291.A ND1 ASP 263.A OD2 no hydrogen 3.067 N/A THR 293.A N HIS 291.A O no hydrogen 2.944 N/A THR 293.A OG1 HIS 101.A NE2 no hydrogen 3.369 N/A THR 293.A OG1 ASN 126.A OD1 no hydrogen 2.682 N/A THR 293.A OG1 HIS 291.A O no hydrogen 3.134 N/A GLN 294.A N GLN 294.A OE1 no hydrogen 2.897 N/A ASP 296.A N TRP 292.A O no hydrogen 2.694 N/A LYS 297.A N THR 293.A O no hydrogen 3.211 N/A LYS 297.A NZ ASP 288.A O no hydrogen 3.028 N/A LYS 297.A NZ ASP 296.A OD1 no hydrogen 3.101 N/A VAL 301.A N LYS 297.A O no hydrogen 3.376 N/A ASN 302.A N PRO 298.A O no hydrogen 3.208 N/A ASN 302.A ND2 TYR 43.A O no hydrogen 3.209 N/A GLN 303.A N THR 299.A O no hydrogen 2.977 N/A ILE 304.A N GLU 300.A O no hydrogen 3.219 N/A LEU 305.A N VAL 301.A O no hydrogen 3.077 N/A ILE 306.A N ASN 302.A O no hydrogen 3.108 N/A LYS 307.A N GLN 303.A O no hydrogen 3.420 N/A TRP 308.A N ILE 304.A O no hydrogen 3.157 N/A LEU 309.A N LEU 305.A O no hydrogen 2.779 N/A ASP 310.A N ILE 306.A O no hydrogen 3.250 N/A SER 311.A OG LYS 307.A O no hydrogen 2.875 N/A SER 311.A OG TRP 308.A O no hydrogen 3.294 N/A SER 311.A OG ASP 312.A OD2 no hydrogen 3.560 N/A ASP 312.A N TRP 308.A O no hydrogen 3.041 N/A ALA 313.A N LEU 309.A O no hydrogen 3.068 N/A