Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3pep_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): GLY 2.A N LEU 167.A O no hydrogen 2.649 N/A ASP 3.A N GLY 92.A O no hydrogen 2.778 N/A GLU 4.A N VAL 165.A O no hydrogen 3.236 N/A LEU 6.A N SER 163.A O no hydrogen 2.857 N/A GLU 7.A N PHE 15.A O no hydrogen 2.768 N/A ASN 8.A ND2 SER 156.A O no hydrogen 3.005 N/A ASN 8.A ND2 SER 156.A OG no hydrogen 2.863 N/A TYR 9.A N GLU 13.A O no hydrogen 2.977 N/A LEU 10.A N ASP 159.A OD2 no hydrogen 3.277 N/A ASP 11.A N ASN 8.A OD1 no hydrogen 3.216 N/A THR 12.A N TYR 9.A O no hydrogen 2.935 N/A THR 12.A OG1 TYR 9.A O no hydrogen 3.260 N/A THR 12.A OG1 LEU 10.A O no hydrogen 2.858 N/A GLU 13.A N TYR 9.A O no hydrogen 3.204 N/A TYR 14.A OH SER 156.A O no hydrogen 2.682 N/A PHE 15.A N GLU 7.A O no hydrogen 2.997 N/A GLY 16.A N VAL 29.A O no hydrogen 2.955 N/A ILE 18.A N PHE 27.A O no hydrogen 2.907 N/A GLY 19.A N GLN 90.A O no hydrogen 2.856 N/A ILE 20.A N GLN 25.A O no hydrogen 2.704 N/A GLY 21.A N THR 88.A O no hydrogen 2.951 N/A THR 22.A OG1 THR 63.A OG1 no hydrogen 2.872 N/A GLN 25.A N ILE 20.A O no hydrogen 3.065 N/A GLN 25.A NE2 ASN 57.A O no hydrogen 2.822 N/A GLN 25.A NE2 SER 61.A OG no hydrogen 3.058 N/A PHE 27.A N ILE 18.A O no hydrogen 2.877 N/A THR 28.A N ASP 118.A OD2 no hydrogen 2.940 N/A VAL 29.A N GLY 16.A O no hydrogen 2.850 N/A ILE 30.A N GLY 119.A O no hydrogen 3.136 N/A ASP 32.A N LEU 121.A O no hydrogen 2.707 N/A THR 33.A OG1 VAL 214.A O no hydrogen 3.414 N/A THR 33.A OG1 ASP 215.A OD1 no hydrogen 3.477 N/A THR 33.A OG1 THR 216.A OG1 no hydrogen 2.999 N/A GLY 34.A N ASP 32.A OD2 no hydrogen 3.104 N/A SER 35.A N ASP 32.A O no hydrogen 3.379 N/A SER 35.A OG ASP 32.A OD1 no hydrogen 2.741 N/A SER 36.A OG TYR 125.A O no hydrogen 2.800 N/A ASN 37.A ND2 ALA 130.A O no hydrogen 3.151 N/A TRP 39.A N ILE 120.A O no hydrogen 3.323 N/A TRP 39.A NE1 TYR 75.A OH no hydrogen 3.149 N/A VAL 40.A N GLY 102.A O no hydrogen 2.995 N/A SER 42.A N SER 104.A O no hydrogen 3.449 N/A SER 42.A OG SER 104.A O no hydrogen 2.946 N/A CYS 45.A SG SER 47.A OG no hydrogen 3.634 N/A CYS 45.A SG GLU 105.A O no hydrogen 3.102 N/A CYS 50.A SG GLU 107.A OE1 no hydrogen 3.412 N/A SER 51.A N SER 47.A O no hydrogen 3.222 N/A SER 51.A N LEU 48.A O no hydrogen 2.846 N/A SER 51.A OG LEU 48.A O no hydrogen 2.967 N/A ASP 52.A N LEU 48.A O no hydrogen 3.279 N/A HIS 53.A ND1 ALA 49.A O no hydrogen 2.672 N/A HIS 53.A NE2 ALA 115.A O no hydrogen 3.033 N/A ASN 54.A N ASP 118.A OD1 no hydrogen 3.098 N/A GLN 55.A NE2 CYS 45.A O no hydrogen 3.081 N/A PHE 56.A N PRO 41.A O no hydrogen 2.840 N/A ASN 57.A N GLN 25.A OE1 no hydrogen 2.837 N/A ASP 59.A N ASN 57.A OD1 no hydrogen 2.750 N/A ASP 60.A N ASN 57.A O no hydrogen 3.089 N/A SER 61.A OG PRO 23.A O no hydrogen 2.827 N/A THR 63.A N SER 61.A O no hydrogen 2.974 N/A THR 63.A OG1 THR 22.A OG1 no hydrogen 2.872 N/A THR 63.A OG1 ASP 87.A OD1 no hydrogen 2.612 N/A GLU 65.A N TYR 86.A O no hydrogen 2.887 N/A THR 67.A OG1 LEU 84.A O no hydrogen 3.078 N/A GLN 69.A N THR 67.A OG1 no hydrogen 3.429 N/A LEU 71.A N GLY 82.A O no hydrogen 2.876 N/A ILE 73.A N MET 80.A O no hydrogen 2.911 N/A TYR 75.A N GLY 78.A O no hydrogen 2.758 N/A MET 80.A N ILE 73.A O no hydrogen 2.985 N/A THR 81.A N THR 106.A O no hydrogen 3.104 N/A THR 81.A OG1 THR 106.A OG1 no hydrogen 2.843 N/A GLY 82.A N LEU 71.A O no hydrogen 2.764 N/A ILE 83.A N LEU 103.A O no hydrogen 3.158 N/A LEU 84.A N GLN 69.A O no hydrogen 3.076 N/A TYR 86.A N GLU 65.A O no hydrogen 2.985 N/A ASP 87.A N GLN 99.A O no hydrogen 3.020 N/A THR 88.A N ASP 87.A OD1 no hydrogen 2.876 N/A VAL 89.A N ASP 96.A O no hydrogen 2.976 N/A GLN 90.A N GLY 19.A O no hydrogen 2.945 N/A GLN 90.A NE2 GLY 21.A O no hydrogen 2.843 N/A VAL 91.A N ILE 94.A O no hydrogen 2.905 N/A ILE 94.A N VAL 91.A O no hydrogen 2.957 N/A ASP 96.A N VAL 89.A O no hydrogen 3.022 N/A THR 97.A OG1 GLN 143.A OE1 no hydrogen 2.843 N/A ASN 98.A ND2 ASN 98.A O no hydrogen 3.360 N/A ASN 98.A ND2 GLN 143.A OE1 no hydrogen 3.698 N/A GLN 99.A N ASP 87.A O no hydrogen 2.858 N/A GLN 99.A NE2 ILE 100.A O no hydrogen 2.984 N/A GLN 99.A NE2 THR 134.A O no hydrogen 2.641 N/A PHE 101.A N GLY 85.A O no hydrogen 2.767 N/A GLY 102.A N LEU 38.A O no hydrogen 2.918 N/A LEU 103.A N ILE 83.A O no hydrogen 2.912 N/A SER 104.A N VAL 40.A O no hydrogen 2.956 N/A SER 104.A OG GLU 107.A OE1 no hydrogen 2.676 N/A GLU 105.A N THR 81.A O no hydrogen 2.940 N/A THR 106.A N THR 81.A O no hydrogen 3.233 N/A THR 106.A OG1 THR 81.A OG1 no hydrogen 2.843 N/A GLU 107.A N SER 47.A OG no hydrogen 3.115 N/A LEU 112.A N GLY 109.A O no hydrogen 3.248 N/A TYR 113.A N SER 110.A O no hydrogen 2.901 N/A TYR 114.A N SER 110.A O no hydrogen 3.099 N/A ALA 115.A N PHE 111.A O no hydrogen 2.909 N/A ASP 118.A N THR 28.A O no hydrogen 2.986 N/A ASP 118.A N THR 28.A OG1 no hydrogen 2.835 N/A GLY 119.A N THR 28.A O no hydrogen 3.051 N/A ILE 120.A N TRP 39.A O no hydrogen 3.229 N/A LEU 121.A N ILE 30.A O no hydrogen 2.737 N/A LEU 123.A N ASP 32.A O no hydrogen 2.824 N/A ALA 124.A N SER 35.A O no hydrogen 3.179 N/A TYR 125.A N GLY 188.A O no hydrogen 2.827 N/A SER 127.A OG GLU 187.A O no hydrogen 2.953 N/A ILE 128.A N TYR 125.A O no hydrogen 3.039 N/A SER 129.A N PRO 126.A O no hydrogen 3.018 N/A SER 129.A OG ALA 133.A O no hydrogen 2.765 N/A ALA 130.A N ASN 37.A OD1 no hydrogen 3.093 N/A SER 131.A OG GLU 70.A O no hydrogen 2.905 N/A GLY 132.A N SER 129.A O no hydrogen 2.986 N/A ALA 133.A N ALA 130.A O no hydrogen 3.149 N/A ASN 139.A N PRO 135.A O no hydrogen 3.092 N/A ASN 139.A ND2 ASN 98.A O no hydrogen 3.235 N/A ASN 139.A ND2 GLN 99.A OE1 no hydrogen 3.300 N/A LEU 140.A N VAL 136.A O no hydrogen 2.832 N/A TRP 141.A N PHE 137.A O no hydrogen 2.899 N/A ASP 142.A N ASP 138.A O no hydrogen 2.933 N/A GLN 143.A N LEU 140.A O no hydrogen 3.200 N/A GLN 143.A NE2 THR 97.A O no hydrogen 2.982 N/A GLN 143.A NE2 ASN 139.A O no hydrogen 3.044 N/A GLY 144.A N TRP 141.A O no hydrogen 2.939 N/A LEU 145.A N LEU 140.A O no hydrogen 2.967 N/A PHE 151.A N PHE 313.A O no hydrogen 3.118 N/A SER 152.A N LEU 166.A O no hydrogen 2.974 N/A SER 152.A OG GLY 169.A O no hydrogen 3.096 N/A SER 152.A OG TYR 310.A OH no hydrogen 2.734 N/A VAL 153.A N THR 311.A O no hydrogen 2.821 N/A TYR 154.A N VAL 164.A O no hydrogen 3.001 N/A SER 156.A N SER 163.A OG no hydrogen 2.866 N/A SER 156.A OG ASP 160.A O no hydrogen 3.085 N/A SER 156.A OG SER 163.A OG no hydrogen 2.619 N/A SER 163.A OG SER 156.A OG no hydrogen 2.619 N/A VAL 164.A N TYR 154.A O no hydrogen 3.104 N/A VAL 165.A N GLU 4.A O no hydrogen 3.063 N/A LEU 166.A N SER 152.A O no hydrogen 2.954 N/A LEU 167.A N GLY 2.A O no hydrogen 2.963 N/A GLY 168.A N LEU 150.A O no hydrogen 3.047 N/A ASP 171.A N TYR 310.A OH no hydrogen 3.140 N/A SER 173.A OG ASP 171.A OD1 no hydrogen 2.825 N/A TYR 174.A N ASP 171.A O no hydrogen 3.040 N/A THR 176.A N PRO 324.A O no hydrogen 2.920 N/A THR 176.A OG1 ALA 326.A OXT no hydrogen 2.892 N/A ASN 180.A N LEU 322.A O no hydrogen 2.981 N/A VAL 184.A N ASN 318.A O no hydrogen 3.331 N/A SER 185.A N GLN 191.A O no hydrogen 2.627 N/A SER 185.A OG GLN 191.A O no hydrogen 2.960 N/A SER 185.A OG GLN 211.A OE1 no hydrogen 3.000 N/A TRP 190.A NE1 LEU 123.A O no hydrogen 3.117 N/A ILE 192.A N ALA 212.A O no hydrogen 2.892 N/A LEU 194.A N CYS 210.A O no hydrogen 2.778 N/A ASP 195.A N THR 261.A O no hydrogen 2.798 N/A THR 198.A N VAL 259.A O no hydrogen 2.887 N/A THR 198.A OG1 THR 203.A OG1 no hydrogen 2.581 N/A MET 199.A N GLU 202.A O no hydrogen 3.047 N/A ASP 200.A N GLU 202.A OE2 no hydrogen 3.485 N/A THR 203.A OG1 THR 198.A OG1 no hydrogen 2.581 N/A ILE 204.A N ILE 197.A O no hydrogen 2.916 N/A CYS 210.A N LEU 194.A O no hydrogen 2.782 N/A CYS 210.A SG LEU 194.A O no hydrogen 3.540 N/A ALA 212.A N ILE 192.A O no hydrogen 2.847 N/A ILE 213.A N TRP 299.A O no hydrogen 2.770 N/A VAL 214.A N TRP 190.A O no hydrogen 2.973 N/A ASP 215.A N LEU 301.A O no hydrogen 2.905 N/A THR 216.A N THR 33.A OG1 no hydrogen 2.778 N/A THR 216.A OG1 THR 33.A OG1 no hydrogen 2.999 N/A GLY 217.A N ASP 215.A OD1 no hydrogen 3.069 N/A THR 218.A N ASP 215.A O no hydrogen 3.355 N/A SER 219.A OG THR 12.A O no hydrogen 2.747 N/A LEU 221.A N GLY 285.A O no hydrogen 3.004 N/A THR 222.A N ILE 300.A O no hydrogen 3.249 N/A GLY 223.A N GLU 287.A O no hydrogen 3.320 N/A THR 225.A OG1 ASP 290.A OD1 no hydrogen 3.046 N/A ILE 228.A N PRO 224.A O no hydrogen 2.865 N/A ALA 229.A N THR 225.A O no hydrogen 3.076 N/A ASN 230.A N SER 226.A O no hydrogen 3.400 N/A ILE 231.A N ALA 227.A O no hydrogen 3.040 N/A GLN 232.A N ILE 228.A O no hydrogen 2.876 N/A GLN 232.A NE2 SER 284.A OG no hydrogen 3.336 N/A GLN 232.A NE2 PHE 286.A O no hydrogen 2.775 N/A SER 233.A N ALA 229.A O no hydrogen 3.117 N/A ILE 235.A N ILE 231.A O no hydrogen 2.951 N/A GLY 236.A N SER 233.A O no hydrogen 3.051 N/A ALA 237.A N GLN 232.A O no hydrogen 2.723 N/A SER 238.A N VAL 246.A O no hydrogen 2.755 N/A ASN 240.A N GLU 244.A O no hydrogen 2.874 N/A ASP 242.A N ASN 240.A OD1 no hydrogen 2.946 N/A GLY 243.A N ASN 240.A O no hydrogen 2.854 N/A VAL 246.A N SER 238.A O no hydrogen 2.880 N/A ILE 247.A N CYS 282.A O no hydrogen 2.958 N/A SER 248.A OG SER 251.A OG no hydrogen 2.876 N/A SER 251.A N SER 248.A O no hydrogen 2.905 N/A SER 251.A OG SER 248.A O no hydrogen 3.043 N/A SER 251.A OG SER 248.A OG no hydrogen 2.876 N/A ILE 252.A N CYS 249.A O no hydrogen 2.942 N/A SER 254.A N SER 251.A O no hydrogen 2.988 N/A LEU 255.A N SER 251.A O no hydrogen 2.680 N/A ILE 258.A N LEU 269.A O no hydrogen 2.993 N/A VAL 259.A N THR 198.A O no hydrogen 2.880 N/A PHE 260.A N TYR 267.A O no hydrogen 2.889 N/A THR 261.A N SER 196.A O no hydrogen 3.203 N/A ILE 262.A N VAL 265.A O no hydrogen 2.928 N/A ASP 263.A N ASP 195.A OD1 no hydrogen 3.314 N/A GLY 264.A N ASP 195.A OD2 no hydrogen 3.020 N/A VAL 265.A N ILE 262.A O no hydrogen 3.194 N/A TYR 267.A N PHE 260.A O no hydrogen 2.767 N/A TYR 267.A OH ASN 180.A OD1 no hydrogen 3.151 N/A LEU 269.A N ILE 258.A O no hydrogen 2.802 N/A ALA 273.A N SER 270.A O no hydrogen 3.031 N/A TYR 274.A N SER 270.A O no hydrogen 3.221 N/A TYR 274.A OH PRO 256.A O no hydrogen 3.003 N/A ILE 275.A N PRO 271.A O no hydrogen 3.030 N/A LEU 276.A N THR 283.A O no hydrogen 3.002 N/A ASP 278.A N SER 281.A O no hydrogen 2.896 N/A THR 283.A N LEU 276.A O no hydrogen 3.228 N/A THR 283.A OG1 ASP 278.A OD1 no hydrogen 3.486 N/A SER 284.A N MET 245.A O no hydrogen 3.069 N/A SER 284.A OG GLN 232.A OE1 no hydrogen 3.196 N/A SER 284.A OG PHE 286.A O no hydrogen 3.496 N/A GLY 285.A N TYR 274.A O no hydrogen 2.858 N/A GLU 287.A N LEU 221.A O no hydrogen 2.839 N/A MET 289.A N GLY 223.A O no hydrogen 3.269 N/A SER 295.A N PRO 292.A O no hydrogen 2.890 N/A SER 295.A OG SER 294.A O no hydrogen 2.999 N/A TRP 299.A N GLN 211.A O no hydrogen 3.160 N/A ILE 300.A N THR 222.A O no hydrogen 2.973 N/A LEU 301.A N ILE 213.A O no hydrogen 2.714 N/A ASP 303.A N THR 218.A O no hydrogen 2.738 N/A VAL 304.A N SER 219.A O no hydrogen 3.260 N/A PHE 305.A N GLY 302.A O no hydrogen 2.775 N/A ILE 306.A N GLY 302.A O no hydrogen 3.199 N/A ARG 307.A N ASP 303.A O no hydrogen 3.031 N/A ARG 307.A NH2 ASP 11.A O no hydrogen 3.120 N/A ARG 307.A NH2 TYR 14.A OH no hydrogen 3.364 N/A GLN 308.A N PHE 305.A O no hydrogen 3.117 N/A TYR 309.A N ILE 306.A O no hydrogen 2.952 N/A TYR 309.A OH PRO 268.A O no hydrogen 2.948 N/A TYR 310.A N ALA 323.A O no hydrogen 2.765 N/A THR 311.A OG1 TYR 309.A O no hydrogen 2.765 N/A VAL 312.A N GLY 321.A O no hydrogen 2.934 N/A PHE 313.A N PHE 151.A O no hydrogen 2.888 N/A ASP 314.A N LYS 319.A O no hydrogen 2.808 N/A ARG 315.A NH2 ASP 138.A OD2 no hydrogen 2.880 N/A ALA 316.A N ASP 149.A O no hydrogen 3.150 N/A ASN 317.A N ASP 314.A OD1 no hydrogen 3.031 N/A ASN 318.A N ARG 315.A O no hydrogen 3.222 N/A ASN 318.A ND2 TYR 125.A OH no hydrogen 2.955 N/A LYS 319.A N ASP 314.A O no hydrogen 3.216 N/A VAL 320.A N VAL 182.A O no hydrogen 2.924 N/A GLY 321.A N VAL 312.A O no hydrogen 2.838 N/A LEU 322.A N ASN 180.A O no hydrogen 3.374 N/A ALA 323.A N TYR 310.A O no hydrogen 3.060 N/A VAL 325.A N GLN 308.A O no hydrogen 3.449 N/A ALA 326.A N TYR 174.A O no hydrogen 2.928 N/A