Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 5pep_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 2.A N LEU 167.A O no hydrogen 3.062 N/A ASP 3.A N GLY 92.A O no hydrogen 2.712 N/A GLU 4.A N VAL 165.A O no hydrogen 3.257 N/A LEU 6.A N SER 163.A O no hydrogen 2.845 N/A GLU 7.A N PHE 15.A O no hydrogen 2.621 N/A ASN 8.A ND2 ASP 11.A OD2 no hydrogen 2.635 N/A ASN 8.A ND2 ASP 160.A O no hydrogen 3.649 N/A TYR 9.A N GLU 13.A O no hydrogen 2.740 N/A ASP 11.A N ASN 8.A OD1 no hydrogen 2.853 N/A THR 12.A N TYR 9.A O no hydrogen 2.671 N/A GLU 13.A N TYR 9.A O no hydrogen 2.815 N/A TYR 14.A OH SER 156.A O no hydrogen 2.568 N/A PHE 15.A N GLU 7.A O no hydrogen 3.177 N/A GLY 16.A N VAL 29.A O no hydrogen 2.868 N/A ILE 18.A N PHE 27.A O no hydrogen 3.048 N/A GLY 19.A N GLN 90.A O no hydrogen 3.318 N/A ILE 20.A N GLN 25.A O no hydrogen 2.908 N/A GLY 21.A N THR 88.A O no hydrogen 3.079 N/A THR 22.A N SER 61.A OG no hydrogen 2.980 N/A THR 22.A OG1 THR 63.A OG1 no hydrogen 2.661 N/A GLN 25.A N ILE 20.A O no hydrogen 3.118 N/A GLN 25.A NE2 ASN 57.A O no hydrogen 3.222 N/A PHE 27.A N ILE 18.A O no hydrogen 2.964 N/A THR 28.A N ASP 118.A OD2 no hydrogen 3.203 N/A THR 28.A OG1 PRO 116.A O no hydrogen 3.501 N/A VAL 29.A N GLY 16.A O no hydrogen 2.830 N/A ILE 30.A N GLY 119.A O no hydrogen 3.101 N/A ASP 32.A N LEU 121.A O no hydrogen 2.988 N/A THR 33.A N THR 216.A OG1 no hydrogen 3.224 N/A THR 33.A OG1 VAL 214.A O no hydrogen 2.872 N/A THR 33.A OG1 THR 216.A OG1 no hydrogen 3.284 N/A GLY 34.A N ASP 32.A OD2 no hydrogen 3.084 N/A SER 35.A N ASP 32.A O no hydrogen 3.478 N/A SER 36.A OG TYR 125.A O no hydrogen 2.779 N/A ASN 37.A ND2 ALA 130.A O no hydrogen 3.100 N/A TRP 39.A N ILE 120.A O no hydrogen 3.246 N/A TRP 39.A NE1 TYR 75.A OH no hydrogen 2.859 N/A VAL 40.A N GLY 102.A O no hydrogen 3.366 N/A SER 42.A OG SER 104.A O no hydrogen 2.547 N/A VAL 43.A N PHE 56.A O no hydrogen 3.090 N/A TYR 44.A N SER 42.A OG no hydrogen 3.166 N/A CYS 45.A N SER 42.A O no hydrogen 3.269 N/A CYS 50.A N SER 47.A O no hydrogen 3.076 N/A CYS 50.A SG GLU 107.A OE2 no hydrogen 3.387 N/A SER 51.A N SER 47.A O no hydrogen 3.342 N/A HIS 53.A N CYS 50.A O no hydrogen 3.225 N/A HIS 53.A ND1 ASP 118.A OD1 no hydrogen 3.125 N/A ASN 54.A N ASP 118.A OD1 no hydrogen 3.398 N/A ASN 54.A ND2 ASP 118.A OD2 no hydrogen 3.293 N/A GLN 55.A NE2 SER 42.A O no hydrogen 3.416 N/A PHE 56.A N PRO 41.A O no hydrogen 2.766 N/A ASN 57.A N GLN 25.A OE1 no hydrogen 2.978 N/A ASP 60.A N ASN 57.A O no hydrogen 3.046 N/A SER 61.A N PRO 58.A O no hydrogen 3.067 N/A SER 61.A OG ASP 87.A OD1 no hydrogen 2.576 N/A SER 61.A OG ASP 87.A OD2 no hydrogen 3.390 N/A SER 62.A N THR 22.A O no hydrogen 2.993 N/A SER 62.A OG THR 22.A O no hydrogen 3.225 N/A THR 63.A OG1 THR 22.A OG1 no hydrogen 2.661 N/A THR 63.A OG1 ASP 87.A OD2 no hydrogen 2.945 N/A GLU 65.A N TYR 86.A O no hydrogen 3.073 N/A THR 67.A OG1 LEU 84.A O no hydrogen 2.631 N/A LEU 71.A N GLY 82.A O no hydrogen 2.525 N/A SER 72.A OG MET 80.A O no hydrogen 3.537 N/A ILE 73.A N MET 80.A O no hydrogen 3.185 N/A TYR 75.A N GLY 78.A O no hydrogen 2.802 N/A SER 79.A OG PRO 108.A O no hydrogen 3.445 N/A MET 80.A N ILE 73.A O no hydrogen 3.030 N/A THR 81.A N THR 106.A O no hydrogen 2.880 N/A THR 81.A OG1 MET 80.A O no hydrogen 3.313 N/A GLY 82.A N LEU 71.A O no hydrogen 2.896 N/A ILE 83.A N LEU 103.A O no hydrogen 2.986 N/A LEU 84.A N GLN 69.A O no hydrogen 3.092 N/A GLY 85.A N PHE 101.A O no hydrogen 3.109 N/A TYR 86.A N GLU 65.A O no hydrogen 2.664 N/A ASP 87.A N GLN 99.A O no hydrogen 3.367 N/A THR 88.A N ASP 87.A OD2 no hydrogen 2.593 N/A VAL 89.A N ASP 96.A O no hydrogen 2.916 N/A GLN 90.A N GLY 19.A O no hydrogen 2.884 N/A VAL 91.A N ILE 94.A O no hydrogen 2.770 N/A GLY 92.A N GLU 4.A OE1 no hydrogen 2.817 N/A ILE 94.A N VAL 91.A O no hydrogen 2.590 N/A ASP 96.A N VAL 89.A O no hydrogen 2.528 N/A GLN 99.A N ASP 87.A O no hydrogen 2.954 N/A GLN 99.A NE2 ILE 100.A O no hydrogen 3.071 N/A GLN 99.A NE2 THR 134.A O no hydrogen 2.662 N/A PHE 101.A N GLY 85.A O no hydrogen 2.981 N/A GLY 102.A N LEU 38.A O no hydrogen 2.839 N/A LEU 103.A N ILE 83.A O no hydrogen 2.828 N/A SER 104.A N VAL 40.A O no hydrogen 3.474 N/A SER 104.A OG GLU 107.A OE2 no hydrogen 3.278 N/A GLU 105.A N THR 81.A O no hydrogen 2.736 N/A THR 106.A N THR 81.A O no hydrogen 2.954 N/A GLU 107.A N SER 47.A OG no hydrogen 3.070 N/A TYR 113.A N SER 110.A O no hydrogen 3.123 N/A ASP 118.A N THR 28.A O no hydrogen 2.938 N/A GLY 119.A N THR 28.A O no hydrogen 3.155 N/A ILE 120.A N TRP 39.A O no hydrogen 3.041 N/A LEU 121.A N ILE 30.A O no hydrogen 2.805 N/A GLY 122.A N ASN 37.A O no hydrogen 2.887 N/A LEU 123.A N ASP 32.A O no hydrogen 2.594 N/A ALA 124.A N SER 35.A O no hydrogen 2.952 N/A TYR 125.A N GLY 188.A O no hydrogen 3.172 N/A TYR 125.A OH ASN 318.A OD1 no hydrogen 2.747 N/A ILE 128.A N TYR 125.A O no hydrogen 3.212 N/A SER 129.A N PRO 126.A O no hydrogen 3.364 N/A SER 129.A OG ALA 133.A O no hydrogen 2.389 N/A ALA 130.A N ASN 37.A OD1 no hydrogen 2.939 N/A SER 131.A OG GLU 70.A O no hydrogen 2.918 N/A GLY 132.A N SER 129.A O no hydrogen 3.222 N/A ASN 139.A N PRO 135.A O no hydrogen 3.069 N/A ASN 139.A ND2 ASP 96.A OD2 no hydrogen 3.520 N/A ASN 139.A ND2 ASN 98.A O no hydrogen 3.248 N/A ASN 139.A ND2 GLN 99.A OE1 no hydrogen 3.596 N/A LEU 140.A N VAL 136.A O no hydrogen 2.819 N/A TRP 141.A N PHE 137.A O no hydrogen 3.025 N/A ASP 142.A N ASP 138.A O no hydrogen 3.003 N/A GLN 143.A N ASN 139.A O no hydrogen 3.117 N/A GLN 143.A NE2 THR 97.A O no hydrogen 3.055 N/A GLY 144.A N TRP 141.A O no hydrogen 2.956 N/A LEU 145.A N LEU 140.A O no hydrogen 2.807 N/A PHE 151.A N PHE 313.A O no hydrogen 3.176 N/A SER 152.A N LEU 166.A O no hydrogen 2.664 N/A SER 152.A OG GLY 169.A O no hydrogen 2.519 N/A SER 152.A OG TYR 310.A OH no hydrogen 2.698 N/A VAL 153.A N THR 311.A O no hydrogen 2.961 N/A TYR 154.A N VAL 164.A O no hydrogen 2.720 N/A SER 156.A N SER 163.A OG no hydrogen 2.763 N/A SER 156.A OG ASP 160.A O no hydrogen 2.943 N/A SER 156.A OG SER 161.A O no hydrogen 2.786 N/A ASP 159.A N ASP 11.A OD2 no hydrogen 3.028 N/A ASP 160.A N SER 157.A O no hydrogen 2.984 N/A VAL 164.A N TYR 154.A O no hydrogen 2.753 N/A VAL 165.A N GLU 4.A O no hydrogen 3.068 N/A LEU 166.A N SER 152.A O no hydrogen 2.553 N/A LEU 167.A N GLY 2.A O no hydrogen 3.234 N/A GLY 168.A N LEU 150.A O no hydrogen 2.799 N/A ASP 171.A N TYR 310.A OH no hydrogen 3.337 N/A SER 173.A N ASP 171.A OD2 no hydrogen 2.987 N/A TYR 174.A N ASP 171.A O no hydrogen 3.118 N/A THR 176.A N PRO 324.A O no hydrogen 2.788 N/A ASN 180.A N LEU 322.A O no hydrogen 2.837 N/A VAL 182.A N VAL 320.A O no hydrogen 2.760 N/A VAL 184.A N ASN 318.A O no hydrogen 3.258 N/A SER 185.A N GLN 191.A O no hydrogen 2.861 N/A SER 185.A OG THR 193.A OG1 no hydrogen 2.659 N/A TRP 190.A NE1 LEU 123.A O no hydrogen 2.915 N/A ILE 192.A N ALA 212.A O no hydrogen 2.758 N/A THR 193.A OG1 SER 185.A OG no hydrogen 2.659 N/A LEU 194.A N CYS 210.A O no hydrogen 2.905 N/A ASP 195.A N THR 261.A O no hydrogen 2.729 N/A ILE 197.A N ALA 205.A O no hydrogen 3.250 N/A THR 198.A N VAL 259.A O no hydrogen 2.773 N/A THR 198.A OG1 VAL 259.A O no hydrogen 3.450 N/A MET 199.A N GLU 202.A O no hydrogen 2.965 N/A GLU 202.A N MET 199.A O no hydrogen 2.921 N/A ALA 205.A N ILE 197.A O no hydrogen 3.185 N/A CYS 206.A SG LEU 194.A O no hydrogen 3.918 N/A GLY 209.A N CYS 206.A O no hydrogen 3.304 N/A CYS 210.A N LEU 194.A O no hydrogen 3.262 N/A GLN 211.A NE2 SER 185.A OG no hydrogen 2.884 N/A GLN 211.A NE2 GLN 191.A OE1 no hydrogen 3.146 N/A ALA 212.A N ILE 192.A O no hydrogen 3.000 N/A ILE 213.A N TRP 299.A O no hydrogen 2.932 N/A VAL 214.A N TRP 190.A O no hydrogen 2.851 N/A ASP 215.A N LEU 301.A O no hydrogen 3.236 N/A THR 216.A N THR 33.A OG1 no hydrogen 3.074 N/A THR 216.A OG1 PHE 31.A O no hydrogen 2.708 N/A THR 216.A OG1 THR 33.A OG1 no hydrogen 3.284 N/A GLY 217.A N ASP 215.A OD1 no hydrogen 2.904 N/A THR 218.A OG1 ASP 215.A OD2 no hydrogen 3.102 N/A SER 219.A OG THR 12.A O no hydrogen 2.828 N/A LEU 221.A N GLY 285.A O no hydrogen 2.808 N/A THR 222.A N ILE 300.A O no hydrogen 3.379 N/A GLY 223.A N GLU 287.A O no hydrogen 3.335 N/A THR 225.A N ASP 290.A OD2 no hydrogen 3.075 N/A THR 225.A OG1 ASP 290.A OD2 no hydrogen 2.895 N/A ILE 228.A N PRO 224.A O no hydrogen 3.085 N/A GLN 232.A N ILE 228.A O no hydrogen 2.781 N/A GLN 232.A NE2 PHE 286.A O no hydrogen 2.778 N/A SER 233.A N ALA 229.A O no hydrogen 2.830 N/A SER 233.A OG ALA 229.A O no hydrogen 3.238 N/A ASP 234.A N ASN 230.A O no hydrogen 3.161 N/A ILE 235.A N ILE 231.A O no hydrogen 2.856 N/A ALA 237.A N GLN 232.A O no hydrogen 2.790 N/A SER 238.A N VAL 246.A O no hydrogen 3.021 N/A ASN 240.A N GLU 244.A O no hydrogen 2.518 N/A GLY 243.A N ASN 240.A O no hydrogen 2.941 N/A VAL 246.A N SER 238.A O no hydrogen 3.209 N/A ILE 247.A N CYS 282.A O no hydrogen 2.833 N/A CYS 249.A SG GLN 277.A OE1 no hydrogen 3.393 N/A SER 251.A N SER 248.A O no hydrogen 2.573 N/A ALA 253.A N SER 250.A O no hydrogen 3.469 N/A ILE 258.A N LEU 269.A O no hydrogen 3.198 N/A VAL 259.A N THR 198.A O no hydrogen 2.667 N/A PHE 260.A N TYR 267.A O no hydrogen 3.123 N/A THR 261.A N SER 196.A O no hydrogen 3.146 N/A ILE 262.A N VAL 265.A O no hydrogen 2.972 N/A ASN 263.A ND2 TRP 181.A O no hydrogen 3.648 N/A GLY 264.A N ASP 195.A OD1 no hydrogen 2.706 N/A VAL 265.A N ILE 262.A O no hydrogen 2.967 N/A TYR 267.A N PHE 260.A O no hydrogen 2.854 N/A LEU 269.A N ILE 258.A O no hydrogen 2.752 N/A SER 272.A N SER 270.A OG no hydrogen 3.128 N/A ALA 273.A N SER 270.A O no hydrogen 2.694 N/A TYR 274.A N SER 270.A O no hydrogen 3.033 N/A TYR 274.A OH PRO 256.A O no hydrogen 3.155 N/A ILE 275.A N PRO 271.A O no hydrogen 3.054 N/A ASP 278.A N SER 281.A O no hydrogen 3.190 N/A SER 281.A N ASP 278.A O no hydrogen 2.921 N/A SER 281.A OG ASP 280.A O no hydrogen 2.396 N/A CYS 282.A SG LEU 276.A O no hydrogen 3.590 N/A THR 283.A N LEU 276.A O no hydrogen 2.830 N/A SER 284.A N MET 245.A O no hydrogen 3.333 N/A SER 284.A OG GLN 232.A OE1 no hydrogen 2.844 N/A SER 284.A OG PHE 286.A O no hydrogen 3.424 N/A GLY 285.A N TYR 274.A O no hydrogen 2.838 N/A PHE 286.A N SER 284.A OG no hydrogen 2.850 N/A GLU 287.A N LEU 221.A O no hydrogen 2.984 N/A MET 289.A N GLY 223.A O no hydrogen 2.774 N/A THR 293.A OG1 PRO 292.A O no hydrogen 3.328 N/A LEU 298.A N VAL 291.A O no hydrogen 3.025 N/A TRP 299.A N GLN 211.A O no hydrogen 3.069 N/A ILE 300.A N THR 222.A O no hydrogen 2.721 N/A LEU 301.A N ILE 213.A O no hydrogen 2.635 N/A GLY 302.A N ILE 300.A O no hydrogen 3.198 N/A ASP 303.A N THR 218.A O no hydrogen 2.773 N/A ILE 306.A N GLY 302.A O no hydrogen 3.004 N/A ARG 307.A N ASP 303.A O no hydrogen 2.941 N/A ARG 307.A NE TYR 14.A OH no hydrogen 3.080 N/A GLN 308.A N PHE 305.A O no hydrogen 3.284 N/A TYR 309.A N ILE 306.A O no hydrogen 3.158 N/A TYR 309.A OH PRO 268.A O no hydrogen 2.520 N/A TYR 310.A N ALA 323.A O no hydrogen 2.679 N/A THR 311.A OG1 TYR 309.A O no hydrogen 3.067 N/A VAL 312.A N GLY 321.A O no hydrogen 2.779 N/A PHE 313.A N PHE 151.A O no hydrogen 2.921 N/A ASP 314.A N LYS 319.A O no hydrogen 2.952 N/A ARG 315.A N ASP 149.A O no hydrogen 2.936 N/A ARG 315.A NH1 ASP 138.A OD1 no hydrogen 3.342 N/A ARG 315.A NH1 ASP 138.A OD2 no hydrogen 2.561 N/A ARG 315.A NH2 ASP 138.A OD1 no hydrogen 2.712 N/A ALA 316.A N ASP 314.A OD1 no hydrogen 2.969 N/A ASN 317.A N ASP 314.A OD1 no hydrogen 3.390 N/A LYS 319.A N ASP 314.A O no hydrogen 3.142 N/A VAL 320.A N VAL 182.A O no hydrogen 2.881 N/A GLY 321.A N VAL 312.A O no hydrogen 2.700 N/A LEU 322.A N ASN 180.A O no hydrogen 2.758 N/A ALA 323.A N TYR 310.A O no hydrogen 3.223 N/A VAL 325.A N GLN 308.A O no hydrogen 3.136 N/A ALA 326.A N TYR 174.A O no hydrogen 2.939 N/A