Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 4jnc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 2.A N GLU 18.A O no hydrogen 2.840 N/A HIS 3.A ND1 HIS 15.A NE2 no hydrogen 2.937 N/A GLY 4.A N PHE 16.A O no hydrogen 2.770 N/A TYR 5.A OH GLU 62.A OE1.B no hydrogen 2.346 N/A VAL 6.A N LEU 14.A O no hydrogen 2.820 N/A VAL 8.A N VAL 12.A O no hydrogen 2.951 N/A LYS 9.A N VAL 12.A O no hydrogen 3.282 N/A LYS 9.A NZ GLU 80.A OE2 no hydrogen 2.716 N/A VAL 12.A N LYS 9.A O no hydrogen 2.957 N/A ARG 13.A N SER 64.A OG no hydrogen 2.785 N/A LEU 14.A N VAL 6.A O no hydrogen 2.739 N/A HIS 15.A N SER 63.A OG no hydrogen 2.757 N/A HIS 15.A ND1 ASP 56.A OD2 no hydrogen 2.841 N/A HIS 15.A NE2 HIS 3.A ND1 no hydrogen 2.937 N/A PHE 16.A N GLY 4.A O no hydrogen 2.916 N/A VAL 17.A N ALA 54.A O no hydrogen 2.889 N/A GLU 18.A N SER 2.A O no hydrogen 2.795 N/A LEU 19.A N VAL 52.A O no hydrogen 3.061 N/A VAL 25.A N ARG 51.A O no hydrogen 2.807 N/A CYS 26.A N VAL 94.A O no hydrogen 2.724 N/A CYS 26.A SG LEU 53.A O no hydrogen 4.041 N/A LEU 27.A N LEU 53.A O no hydrogen 2.948 N/A CYS 28.A N ILE 96.A O no hydrogen 2.743 N/A HIS 29.A ND1 GLY 30.A O no hydrogen 2.794 N/A PHE 31.A N ASP 99.A OD2 no hydrogen 2.896 N/A GLU 33.A N GLY 30.A O no hydrogen 3.007 N/A TRP 35.A N ASP 56.A OD1 no hydrogen 3.245 N/A TYR 36.A N SER 34.A OG no hydrogen 3.004 N/A SER 37.A N SER 34.A O no hydrogen 2.995 N/A SER 37.A OG GLU 33.A OE1 no hydrogen 2.618 N/A SER 37.A OG TYR 214.A OH no hydrogen 2.799 N/A TRP 38.A N TRP 35.A O no hydrogen 2.981 N/A ARG 39.A N TYR 36.A O no hydrogen 3.052 N/A ARG 39.A NE GLU 210.A OE2 no hydrogen 2.778 N/A ARG 39.A NH1 TYR 36.A O no hydrogen 2.894 N/A ARG 39.A NH1 TYR 214.A OH no hydrogen 2.966 N/A GLN 41.A N TRP 38.A O no hydrogen 2.809 N/A GLN 41.A NE2 PRO 295.A O no hydrogen 3.649 N/A GLN 41.A NE2 ASN 299.A OD1 no hydrogen 3.005 N/A ILE 42.A N TRP 38.A O no hydrogen 2.982 N/A LEU 45.A N GLN 41.A O no hydrogen 2.784 N/A ALA 46.A N ILE 42.A O no hydrogen 3.088 N/A GLN 47.A N PRO 43.A O no hydrogen 2.892 N/A ALA 48.A N ALA 44.A O no hydrogen 2.987 N/A GLY 49.A N ALA 46.A O no hydrogen 3.008 N/A TYR 50.A N LEU 45.A O no hydrogen 3.132 N/A TYR 50.A OH ASP 307.A OD1 no hydrogen 2.666 N/A ARG 51.A N PRO 23.A O no hydrogen 3.084 N/A ARG 51.A NE GLU 18.A OE2 no hydrogen 2.780 N/A ARG 51.A NH2 GLU 18.A OE2 no hydrogen 2.843 N/A VAL 52.A N LEU 19.A O no hydrogen 2.784 N/A LEU 53.A N VAL 25.A O no hydrogen 2.828 N/A ALA 54.A N VAL 17.A O no hydrogen 2.860 N/A MET 55.A N LEU 27.A O no hydrogen 3.041 N/A ASP 56.A N HIS 15.A O no hydrogen 2.822 N/A MET 57.A N HIS 29.A NE2 no hydrogen 3.031 N/A LYS 58.A NZ GLU 71.A O no hydrogen 2.731 N/A LYS 58.A NZ GLU 71.A OE1 no hydrogen 2.746 N/A LYS 58.A NZ GLU 80.A OE1 no hydrogen 3.557 N/A LYS 58.A NZ GLU 80.A OE2 no hydrogen 2.708 N/A GLY 59.A N SER 64.A O no hydrogen 2.896 N/A TYR 60.A N MET 57.A O no hydrogen 2.927 N/A GLU 62.A N ASP 56.A OD2 no hydrogen 2.914 N/A SER 63.A N TYR 60.A O no hydrogen 2.931 N/A SER 63.A OG ASP 56.A O no hydrogen 2.582 N/A SER 64.A N ARG 13.A O no hydrogen 2.909 N/A SER 64.A OG ARG 11.A O no hydrogen 3.381 N/A SER 64.A OG ARG 13.A O no hydrogen 3.320 N/A GLU 68.A N GLU 68.A OE1 no hydrogen 2.829 N/A GLU 71.A N GLU 68.A O no hydrogen 3.301 N/A TYR 72.A N ILE 69.A O no hydrogen 2.969 N/A TYR 72.A OH PRO 66.A O no hydrogen 2.697 N/A CYS 73.A N GLU 70.A O no hydrogen 3.519 N/A CYS 73.A SG GLU 70.A O no hydrogen 3.473 N/A MET 74.A N ASN 236.A OD1 no hydrogen 2.792 N/A LEU 77.A N CYS 73.A O no hydrogen 3.030 N/A CYS 78.A N MET 74.A O no hydrogen 2.884 N/A CYS 78.A SG MET 74.A O no hydrogen 3.374 N/A CYS 78.A SG LEU 104.A O no hydrogen 3.819 N/A LYS 79.A N GLU 75.A O no hydrogen 3.089 N/A GLU 80.A N VAL 76.A O no hydrogen 2.943 N/A MET 81.A N LEU 77.A O no hydrogen 3.136 N/A VAL 82.A N CYS 78.A O no hydrogen 3.007 N/A THR 83.A N LYS 79.A O no hydrogen 3.008 N/A THR 83.A OG1 LYS 79.A O no hydrogen 3.115 N/A PHE 84.A N GLU 80.A O no hydrogen 2.773 N/A LEU 85.A N MET 81.A O no hydrogen 3.218 N/A ASP 86.A N VAL 82.A O no hydrogen 2.981 N/A LYS 87.A N THR 83.A O no hydrogen 2.853 N/A LEU 88.A N PHE 84.A O no hydrogen 3.176 N/A GLY 89.A N ASP 86.A O no hydrogen 3.078 N/A LEU 90.A N LEU 85.A O no hydrogen 2.945 N/A ALA 93.A N ARG 115.A O no hydrogen 3.148 N/A VAL 94.A N ALA 24.A O no hydrogen 2.849 N/A PHE 95.A N ALA 118.A O no hydrogen 2.931 N/A ILE 96.A N CYS 26.A O no hydrogen 2.891 N/A GLY 97.A N ALA 120.A O no hydrogen 2.926 N/A HIS 98.A N CYS 28.A O no hydrogen 3.009 N/A HIS 98.A NE2 HIS 288.A O no hydrogen 2.769 N/A MET 103.A N ASP 99.A O no hydrogen 3.145 N/A LEU 104.A N TRP 100.A O no hydrogen 3.084 N/A VAL 105.A N GLY 101.A O no hydrogen 3.024 N/A TRP 106.A N GLY 102.A O no hydrogen 3.200 N/A TRP 106.A NE1 THR 124.A O no hydrogen 2.924 N/A TYR 107.A N MET 103.A O no hydrogen 3.227 N/A MET 108.A N LEU 104.A O no hydrogen 2.823 N/A ALA 109.A N VAL 105.A O no hydrogen 2.947 N/A LEU 110.A N TRP 106.A O no hydrogen 2.898 N/A PHE 111.A N TYR 107.A O no hydrogen 2.934 N/A TYR 112.A N MET 108.A O no hydrogen 2.756 N/A GLU 114.A N GLU 114.A OE1 no hydrogen 2.792 N/A ARG 115.A N TYR 112.A O no hydrogen 2.980 N/A ARG 115.A NE SER 91.A O no hydrogen 2.797 N/A ARG 115.A NH1 ASP 86.A OD1 no hydrogen 2.795 N/A ARG 115.A NH2 ASP 86.A OD1 no hydrogen 2.863 N/A ARG 115.A NH2 LEU 90.A O no hydrogen 2.802 N/A VAL 116.A N PRO 113.A O no hydrogen 3.201 N/A ARG 117.A N ALA 93.A O no hydrogen 2.987 N/A VAL 119.A N PRO 251.A O no hydrogen 2.947 N/A ALA 120.A N PHE 95.A O no hydrogen 2.957 N/A SER 121.A N LEU 253.A O no hydrogen 2.977 N/A SER 121.A OG THR 124.A O no hydrogen 2.789 N/A LEU 122.A N GLY 97.A O no hydrogen 2.825 N/A ASN 123.A N VAL 255.A O no hydrogen 2.726 N/A ASN 123.A ND2 ASP 260.A OD2 no hydrogen 2.795 N/A ASN 123.A ND2 GLY 287.A O no hydrogen 3.675 N/A THR 124.A N LEU 122.A O no hydrogen 2.887 N/A THR 124.A OG1 ASP 99.A O no hydrogen 2.667 N/A ASN 132.A N ASN 130.A OD1 no hydrogen 3.192 N/A MET 133.A N ASN 130.A O no hydrogen 3.211 N/A SER 134.A N GLU 137.A OE1 no hydrogen 3.218 N/A GLU 137.A N SER 134.A OG no hydrogen 3.358 N/A SER 138.A N SER 134.A O no hydrogen 3.077 N/A SER 138.A N PRO 135.A O no hydrogen 3.294 N/A SER 138.A OG SER 134.A O no hydrogen 3.404 N/A ILE 139.A N PRO 135.A O no hydrogen 3.374 N/A LYS 140.A N LEU 136.A O no hydrogen 2.979 N/A ASN 142.A N ILE 139.A O no hydrogen 2.826 N/A PHE 145.A N ASN 142.A O no hydrogen 3.189 N/A GLN 148.A N PHE 145.A O no hydrogen 3.259 N/A GLN 148.A NE2 TYR 147.A OH no hydrogen 3.459 N/A LEU 149.A N ASP 146.A O no hydrogen 2.975 N/A TYR 150.A OH GLU 160.A OE1 no hydrogen 2.577 N/A PHE 151.A N GLN 148.A O no hydrogen 3.220 N/A GLN 152.A N LEU 149.A O no hydrogen 3.131 N/A GLN 152.A NE2 GLN 148.A O no hydrogen 3.045 N/A GLN 152.A NE2 TYR 230.A O no hydrogen 2.911 N/A GLY 155.A N GLU 158.A OE1 no hydrogen 2.836 N/A VAL 156.A N GLU 153.A O no hydrogen 3.332 N/A GLU 158.A N GLU 158.A OE1 no hydrogen 2.842 N/A ALA 159.A N GLY 155.A O no hydrogen 3.157 N/A GLU 160.A N VAL 156.A O no hydrogen 3.361 N/A LEU 161.A N ALA 157.A O no hydrogen 2.962 N/A GLU 162.A N GLU 158.A O no hydrogen 2.967 N/A SER 166.A OG.B ASN 164.A OD1 no hydrogen 2.884 N/A ARG 167.A N ASN 164.A OD1 no hydrogen 3.201 N/A ARG 167.A NE PRO 197.A O no hydrogen 2.944 N/A ARG 167.A NH2 PHE 193.A O no hydrogen 2.787 N/A ARG 167.A NH2 SER 196.A O no hydrogen 3.002 N/A ARG 167.A NH2 PRO 197.A O no hydrogen 3.280 N/A THR 168.A N ASN 164.A O no hydrogen 2.944 N/A THR 168.A OG1 LEU 161.A O no hydrogen 2.686 N/A THR 168.A OG1 ASN 164.A O no hydrogen 3.268 N/A PHE 169.A N LEU 165.A O no hydrogen 3.083 N/A LYS 170.A N SER 166.A O no hydrogen 2.943 N/A LYS 170.A NZ GLU 208.A OE1 no hydrogen 2.791 N/A LYS 170.A NZ GLU 208.A OE2 no hydrogen 3.487 N/A SER 171.A N ARG 167.A O no hydrogen 2.862 N/A SER 171.A OG ARG 167.A O no hydrogen 2.672 N/A LEU 172.A N THR 168.A O no hydrogen 3.024 N/A PHE 173.A N PHE 169.A O no hydrogen 2.915 N/A ARG 174.A N LEU 172.A O no hydrogen 2.858 N/A ARG 174.A NE GLU 178.A O no hydrogen 2.772 N/A ARG 174.A NH1 LYS 170.A O no hydrogen 2.877 N/A ARG 174.A NH1 SER 201.A O no hydrogen 2.768 N/A ARG 174.A NH2 SER 201.A OG no hydrogen 2.923 N/A ALA 175.A N GLU 178.A OE1 no hydrogen 2.996 N/A SER 176.A OG LYS 259.A O no hydrogen 2.563 N/A GLU 178.A N ALA 175.A O no hydrogen 2.878 N/A SER 179.A N SER 176.A O no hydrogen 3.269 N/A SER 179.A OG LEU 181.A O no hydrogen 3.115 N/A LYS 185.A N SER 182.A O no hydrogen 3.167 N/A CYS 187.A SG.A ASP 146.A O no hydrogen 3.624 N/A ALA 189.A N LYS 185.A O no hydrogen 3.153 N/A GLY 190.A N VAL 186.A O no hydrogen 2.893 N/A GLY 191.A N VAL 186.A O no hydrogen 3.351 N/A LEU 192.A N GLU 160.A OE1 no hydrogen 2.880 N/A PHE 193.A N GLU 160.A OE2 no hydrogen 2.730 N/A SER 203.A OG GLU 178.A OE1 no hydrogen 2.602 N/A ARG 204.A N GLU 178.A OE2 no hydrogen 2.928 N/A ARG 204.A NH1 ASP 177.A OD1 no hydrogen 2.807 N/A ARG 204.A NH2 ASP 177.A OD1 no hydrogen 3.378 N/A ARG 204.A NH2 ASP 177.A OD2 no hydrogen 2.716 N/A MET 205.A N SER 203.A OG no hydrogen 2.982 N/A VAL 206.A N SER 203.A O no hydrogen 3.316 N/A THR 207.A N GLU 210.A OE1 no hydrogen 2.890 N/A THR 207.A OG1 GLU 210.A OE1 no hydrogen 3.455 N/A GLU 210.A N THR 207.A OG1 no hydrogen 3.153 N/A ILE 211.A N THR 207.A O no hydrogen 3.181 N/A GLN 212.A N GLU 208.A O no hydrogen 2.981 N/A GLN 212.A NE2 GLU 208.A OE2 no hydrogen 3.283 N/A PHE 213.A N GLU 209.A O no hydrogen 3.198 N/A PHE 213.A N GLU 210.A O no hydrogen 3.232 N/A TYR 214.A N GLU 210.A O no hydrogen 3.432 N/A TYR 214.A OH SER 37.A OG no hydrogen 2.799 N/A VAL 215.A N ILE 211.A O no hydrogen 2.981 N/A GLN 216.A N GLN 212.A O no hydrogen 3.018 N/A GLN 217.A N PHE 213.A O no hydrogen 3.064 N/A PHE 218.A N TYR 214.A O no hydrogen 2.997 N/A LYS 219.A N VAL 215.A O no hydrogen 2.983 N/A GLY 222.A N PHE 218.A O no hydrogen 3.015 N/A PHE 223.A N GLU 162.A OE2 no hydrogen 2.790 N/A ARG 224.A NE PRO 67.A O no hydrogen 3.257 N/A LEU 227.A N PHE 223.A O no hydrogen 2.798 N/A ASN 228.A N ARG 224.A O no hydrogen 2.945 N/A ASN 228.A N GLY 225.A O no hydrogen 3.164 N/A ASN 228.A ND2 PRO 67.A O no hydrogen 2.951 N/A TRP 229.A N PRO 226.A O no hydrogen 3.260 N/A TRP 229.A NE1 LYS 58.A O no hydrogen 2.983 N/A TYR 230.A N LEU 227.A O no hydrogen 2.973 N/A ARG 231.A N ASN 228.A O no hydrogen 3.123 N/A ARG 231.A NE PHE 151.A O no hydrogen 2.741 N/A ARG 231.A NH1 GLU 158.A OE2 no hydrogen 2.715 N/A ARG 231.A NH1 ASN 228.A OD1 no hydrogen 3.161 N/A ARG 231.A NH2 PHE 151.A O no hydrogen 3.156 N/A ARG 231.A NH2 GLU 158.A OE1 no hydrogen 2.805 N/A ARG 231.A NH2 GLU 158.A OE2 no hydrogen 3.358 N/A ASN 232.A ND2 ILE 69.A O no hydrogen 2.907 N/A ASN 232.A ND2 ASN 228.A O no hydrogen 2.931 N/A ARG 235.A NH1 ASN 232.A OD1 no hydrogen 2.949 N/A ASN 236.A N ASN 232.A O no hydrogen 2.851 N/A TRP 237.A N MET 233.A O no hydrogen 3.010 N/A TRP 237.A NE1 ASN 130.A O no hydrogen 2.705 N/A LYS 238.A N GLU 234.A O no hydrogen 2.984 N/A TRP 239.A N ARG 235.A O no hydrogen 3.027 N/A ALA 240.A N ASN 236.A O no hydrogen 2.900 N/A CYS 241.A N TRP 237.A O no hydrogen 2.949 N/A CYS 241.A SG TRP 237.A O no hydrogen 3.236 N/A LYS 242.A N TRP 239.A O no hydrogen 3.084 N/A SER 243.A N ALA 240.A O no hydrogen 3.128 N/A SER 243.A OG ALA 240.A O no hydrogen 2.728 N/A LEU 244.A N CYS 241.A O no hydrogen 3.332 N/A ARG 246.A N SER 243.A O no hydrogen 3.366 N/A LYS 247.A NZ ASP 273.A O no hydrogen 3.018 N/A ILE 248.A N TRP 274.A O no hydrogen 2.933 N/A LEU 253.A N VAL 119.A O no hydrogen 2.821 N/A MET 254.A N LYS 279.A O no hydrogen 2.911 N/A VAL 255.A N SER 121.A O no hydrogen 2.894 N/A THR 256.A N GLY 281.A O no hydrogen 3.048 N/A THR 256.A OG1 GLY 281.A O no hydrogen 3.447 N/A THR 256.A OG1 HIS 282.A ND1 no hydrogen 2.710 N/A GLU 258.A N ILE 283.A O no hydrogen 2.919 N/A LYS 259.A N CYS 286.A O no hydrogen 2.727 N/A ASP 260.A N ALA 257.A O no hydrogen 3.272 N/A VAL 262.A N ASP 260.A OD1 no hydrogen 3.057 N/A LEU 263.A N ASP 260.A OD1 no hydrogen 2.842 N/A MET 267.A N VAL 264.A O no hydrogen 3.104 N/A SER 268.A N PRO 265.A O no hydrogen 2.999 N/A SER 268.A OG PRO 265.A O no hydrogen 2.700 N/A GLN 269.A N GLN 266.A O no hydrogen 3.114 N/A MET 271.A N SER 268.A O no hydrogen 3.232 N/A GLU 272.A N GLU 272.A OE1 no hydrogen 2.929 N/A ASP 273.A N HIS 270.A O no hydrogen 3.048 N/A TRP 274.A N MET 271.A O no hydrogen 2.983 N/A ILE 275.A N MET 271.A O no hydrogen 2.792 N/A LEU 278.A N ILE 275.A O no hydrogen 3.043 N/A LYS 279.A N ALA 252.A O no hydrogen 2.866 N/A ARG 280.A NE GLU 272.A OE2 no hydrogen 2.737 N/A ARG 280.A NH1 SER 268.A OG no hydrogen 2.957 N/A ARG 280.A NH2 SER 268.A O no hydrogen 2.679 N/A ARG 280.A NH2 GLU 272.A OE1 no hydrogen 3.018 N/A ARG 280.A NH2 GLU 272.A OE2 no hydrogen 3.337 N/A GLY 281.A N MET 254.A O no hydrogen 2.951 N/A HIS 282.A ND1 THR 256.A OG1 no hydrogen 2.710 N/A ILE 283.A N THR 256.A O no hydrogen 2.900 N/A ASP 285.A N GLU 258.A OE1 no hydrogen 2.799 N/A CYS 286.A SG GLY 287.A O no hydrogen 3.645 N/A GLY 287.A N ASP 293.A OD2 no hydrogen 2.815 N/A HIS 288.A ND1 ASP 260.A OD2 no hydrogen 2.774 N/A THR 290.A N HIS 288.A O no hydrogen 2.926 N/A THR 290.A OG1 ASN 123.A OD1 no hydrogen 2.456 N/A THR 290.A OG1 HIS 288.A O no hydrogen 3.353 N/A GLN 291.A N GLN 291.A OE1 no hydrogen 2.896 N/A MET 292.A N TRP 289.A O no hydrogen 3.190 N/A ASP 293.A N TRP 289.A O no hydrogen 2.849 N/A LYS 294.A N THR 290.A O no hydrogen 2.929 N/A LYS 294.A NZ ASP 285.A OD2 no hydrogen 3.000 N/A GLU 297.A N GLU 297.A OE1 no hydrogen 2.659 N/A VAL 298.A N LYS 294.A O no hydrogen 2.956 N/A ASN 299.A N PRO 295.A O no hydrogen 2.943 N/A ASN 299.A ND2 TYR 40.A O no hydrogen 3.393 N/A GLN 300.A N THR 296.A O no hydrogen 3.052 N/A ILE 301.A N GLU 297.A O no hydrogen 3.009 N/A LEU 302.A N VAL 298.A O no hydrogen 2.960 N/A ILE 303.A N ASN 299.A O no hydrogen 3.006 N/A LYS 304.A N GLN 300.A O no hydrogen 3.047 N/A TRP 305.A N ILE 301.A O no hydrogen 3.074 N/A TRP 305.A NE1 ASP 309.A OD1 no hydrogen 3.013 N/A LEU 306.A N LEU 302.A O no hydrogen 2.773 N/A ASP 307.A N ILE 303.A O no hydrogen 2.962 N/A SER 308.A N TRP 305.A O no hydrogen 3.125 N/A SER 308.A OG LYS 304.A O no hydrogen 2.731 N/A SER 308.A OG TRP 305.A O no hydrogen 3.545 N/A ASP 309.A N SER 308.A OG no hydrogen 2.657 N/A ALA 310.A N TRP 305.A O no hydrogen 3.085 N/A ARG 311.A N SER 308.A O no hydrogen 3.177 N/A