Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 3vkc_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): ARG 6.A N PRO 3.A O no hydrogen 2.798 N/A ARG 6.A NH1 PRO 3.A O no hydrogen 2.992 N/A ARG 9.A N GLU 136.A OE2 no hydrogen 2.900 N/A VAL 10.A N GLU 136.A OE1 no hydrogen 2.814 N/A ALA 12.A N GLY 8.A O no hydrogen 3.100 N/A ARG 13.A N ARG 9.A O no hydrogen 3.013 N/A ARG 13.A NE ALA 48.A O no hydrogen 2.685 N/A ARG 13.A NH2 PHE 47.A O no hydrogen 3.548 N/A ARG 13.A NH2 ALA 48.A O no hydrogen 3.384 N/A LEU 14.A N VAL 10.A O no hydrogen 2.845 N/A ARG 15.A N LEU 11.A O no hydrogen 2.838 N/A ARG 15.A NE ASP 207.A O no hydrogen 2.951 N/A GLU 16.A N ALA 12.A O no hydrogen 3.121 N/A GLU 16.A N ARG 13.A O no hydrogen 3.225 N/A HIS 17.A N ARG 13.A O no hydrogen 2.824 N/A HIS 17.A ND1 GLN 18.A O no hydrogen 2.841 N/A GLY 20.A N ASP 231.A O no hydrogen 3.037 N/A VAL 22.A N VAL 233.A O no hydrogen 2.891 N/A HIS 23.A ND1 PHE 235.A O no hydrogen 2.838 N/A ILE 24.A N PHE 235.A O no hydrogen 2.891 N/A ILE 25.A N LEU 51.A O no hydrogen 2.863 N/A PHE 28.A N ASP 26.A OD1 no hydrogen 2.963 N/A LYS 29.A N ASP 26.A O no hydrogen 3.129 N/A LYS 29.A N ASP 26.A OD1 no hydrogen 3.236 N/A LYS 29.A NZ GLU 240.A OE1 no hydrogen 2.744 N/A VAL 30.A N ASP 26.A O no hydrogen 2.840 N/A ALA 35.A N PRO 31.A O no hydrogen 2.957 N/A VAL 36.A N VAL 32.A O no hydrogen 2.939 N/A GLU 37.A N THR 33.A O no hydrogen 3.063 N/A LYS 38.A N GLU 34.A O no hydrogen 2.830 N/A LYS 38.A NZ GLU 34.A OE2 no hydrogen 2.714 N/A LYS 38.A NZ LEU 239.A O no hydrogen 2.843 N/A ALA 39.A N ALA 35.A O no hydrogen 2.792 N/A ALA 40.A N VAL 36.A O no hydrogen 3.190 N/A GLU 41.A N GLU 37.A O no hydrogen 3.352 N/A LEU 42.A N LYS 38.A O no hydrogen 2.912 N/A THR 43.A N ALA 39.A O no hydrogen 3.147 N/A THR 43.A OG1 ALA 39.A O no hydrogen 2.939 N/A THR 43.A OG1 THR 75.A OG1 no hydrogen 2.670 N/A ARG 44.A N ALA 40.A O no hydrogen 3.239 N/A LEU 45.A N GLU 41.A O no hydrogen 3.108 N/A LEU 45.A N LEU 42.A O no hydrogen 3.281 N/A GLY 46.A N THR 43.A O no hydrogen 3.152 N/A PHE 47.A N LEU 42.A O no hydrogen 3.337 N/A VAL 50.A N PRO 78.A O no hydrogen 2.908 N/A LEU 51.A N HIS 23.A O no hydrogen 3.495 N/A LEU 52.A N VAL 80.A O no hydrogen 2.886 N/A ALA 53.A N ILE 25.A O no hydrogen 3.045 N/A SER 54.A N HIS 82.A O no hydrogen 3.369 N/A SER 54.A OG ASP 26.A OD1 no hydrogen 3.489 N/A SER 54.A OG ASP 26.A OD2 no hydrogen 3.257 N/A SER 54.A OG ASP 56.A O no hydrogen 2.934 N/A ASP 56.A N SER 54.A OG no hydrogen 3.218 N/A TYR 57.A OH PRO 84.A O no hydrogen 2.659 N/A SER 62.A OG SER 59.A O no hydrogen 3.509 N/A HIS 63.A N SER 59.A O no hydrogen 3.138 N/A HIS 63.A NE2 PRO 27.A O no hydrogen 2.806 N/A MET 64.A N PHE 60.A O no hydrogen 2.765 N/A GLU 65.A N GLU 61.A O no hydrogen 3.116 N/A TYR 67.A N HIS 63.A O no hydrogen 3.384 N/A TYR 67.A OH VAL 30.A O no hydrogen 2.614 N/A VAL 68.A N MET 64.A O no hydrogen 2.799 N/A ALA 69.A N GLU 65.A O no hydrogen 3.059 N/A ALA 70.A N PRO 66.A O no hydrogen 2.911 N/A VAL 71.A N TYR 67.A O no hydrogen 2.971 N/A LYS 72.A N VAL 68.A O no hydrogen 2.867 N/A LYS 72.A NZ ASP 98.A OD1 no hydrogen 3.268 N/A LYS 72.A NZ ASP 98.A OD2 no hydrogen 2.808 N/A ALA 73.A N ALA 69.A O no hydrogen 2.985 N/A ALA 74.A N VAL 71.A O no hydrogen 2.943 N/A THR 75.A OG1 THR 43.A OG1 no hydrogen 2.670 N/A LEU 77.A N THR 75.A OG1 no hydrogen 3.116 N/A VAL 79.A N ASP 98.A OD2 no hydrogen 2.832 N/A VAL 80.A N VAL 50.A O no hydrogen 2.910 N/A LEU 81.A N ALA 99.A O no hydrogen 2.867 N/A HIS 82.A N LEU 52.A O no hydrogen 2.862 N/A ARG 86.A N GLY 90.A O no hydrogen 3.060 N/A ARG 86.A NH1 TYR 57.A O no hydrogen 3.179 N/A ARG 86.A NH2 TYR 57.A O no hydrogen 2.825 N/A GLY 88.A N GLU 120.A OE1 no hydrogen 2.994 N/A GLY 88.A N GLU 120.A OE2 no hydrogen 3.061 N/A ALA 89.A N ARG 86.A O no hydrogen 2.892 N/A GLY 90.A N ARG 86.A O no hydrogen 2.879 N/A PHE 91.A N THR 121.A OG1 no hydrogen 2.896 N/A ARG 95.A NH1 GLU 133.A OE1 no hydrogen 3.380 N/A ARG 95.A NH2 ARG 128.A O no hydrogen 2.911 N/A ASP 98.A N VAL 79.A O no hydrogen 2.941 N/A ALA 99.A N VAL 79.A O no hydrogen 3.289 N/A LEU 100.A N GLU 136.A O no hydrogen 2.866 N/A LEU 101.A N LEU 81.A O no hydrogen 2.732 N/A LEU 102.A N LEU 138.A O no hydrogen 2.889 N/A ALA 104.A N THR 140.A O no hydrogen 2.734 N/A LEU 105.A N PHE 113.A O no hydrogen 2.975 N/A SER 108.A N LEU 105.A O no hydrogen 2.930 N/A SER 108.A OG ASP 110.A O no hydrogen 3.427 N/A SER 108.A OG LEU 155.A O no hydrogen 2.590 N/A GLY 109.A N GLY 156.A O no hydrogen 2.917 N/A ASP 110.A N SER 108.A OG no hydrogen 3.017 N/A TYR 112.A N ASP 110.A OD1 no hydrogen 2.893 N/A TYR 112.A OH GLU 120.A OE1 no hydrogen 2.601 N/A PHE 113.A N ASP 110.A O no hydrogen 2.964 N/A VAL 114.A N ASP 110.A O no hydrogen 3.055 N/A TRP 115.A N ASP 111.A O no hydrogen 3.148 N/A LYS 116.A N ASP 111.A O no hydrogen 3.089 N/A LYS 116.A NZ ASP 111.A OD2 no hydrogen 2.801 N/A SER 117.A N TYR 112.A O no hydrogen 2.931 N/A SER 117.A OG TYR 112.A O no hydrogen 3.422 N/A PHE 118.A N TRP 115.A O no hydrogen 2.824 N/A GLU 120.A N LYS 116.A O no hydrogen 3.011 N/A THR 121.A N SER 117.A O no hydrogen 2.946 N/A THR 121.A OG1 SER 117.A O no hydrogen 2.721 N/A LEU 122.A N PHE 118.A O no hydrogen 2.980 N/A ALA 123.A N LEU 119.A O no hydrogen 2.916 N/A ALA 124.A N GLU 120.A O no hydrogen 3.086 N/A PHE 125.A N THR 121.A O no hydrogen 3.102 N/A PHE 125.A N LEU 122.A O no hydrogen 3.096 N/A ARG 128.A NE GLU 61.A OE1 no hydrogen 2.939 N/A ARG 128.A NH2 GLU 61.A OE1 no hydrogen 3.246 N/A ARG 128.A NH2 GLU 61.A OE2 no hydrogen 2.591 N/A ILE 129.A N PRO 126.A O no hydrogen 3.242 N/A GLU 133.A N PRO 130.A O no hydrogen 2.812 N/A TRP 134.A N ARG 131.A O no hydrogen 3.180 N/A TRP 134.A NE1 PRO 126.A O no hydrogen 2.879 N/A GLU 136.A N ASP 98.A O no hydrogen 3.069 N/A LEU 137.A N LEU 4.A O no hydrogen 2.810 N/A LEU 138.A N LEU 100.A O no hydrogen 2.845 N/A LEU 139.A N HIS 181.A ND1 no hydrogen 2.977 N/A THR 140.A N LEU 102.A O no hydrogen 2.949 N/A THR 140.A OG1 LEU 138.A O no hydrogen 2.999 N/A VAL 141.A N MET 182.A O no hydrogen 2.910 N/A ALA 142.A N ALA 104.A O no hydrogen 2.903 N/A LEU 143.A N TYR 184.A O no hydrogen 2.964 N/A PHE 145.A N TYR 186.A O no hydrogen 2.808 N/A GLU 147.A N GLU 190.A OE2 no hydrogen 3.373 N/A ARG 150.A NH2 ASP 56.A OD2 no hydrogen 2.544 N/A THR 151.A N ASP 148.A OD1 no hydrogen 2.983 N/A THR 151.A OG1 ASP 148.A OD1 no hydrogen 3.061 N/A THR 151.A OG1 ASP 148.A OD2 no hydrogen 2.469 N/A GLY 152.A N ASP 148.A O no hydrogen 3.012 N/A ASP 153.A N PRO 149.A O no hydrogen 2.753 N/A LEU 154.A N ARG 150.A O no hydrogen 3.042 N/A LEU 155.A N THR 151.A O no hydrogen 2.789 N/A GLY 156.A N GLY 152.A O no hydrogen 2.847 N/A VAL 158.A N GLY 107.A O no hydrogen 3.273 N/A VAL 160.A N THR 144.A O no hydrogen 2.969 N/A SER 161.A N GLU 167.A OE1 no hydrogen 2.780 N/A ALA 163.A N SER 161.A OG no hydrogen 3.360 N/A THR 165.A OG1 ASP 169.A OD2 no hydrogen 2.940 N/A GLU 166.A N SER 164.A OG no hydrogen 3.117 N/A ASP 169.A N THR 165.A O no hydrogen 2.871 N/A ARG 170.A N GLU 166.A O no hydrogen 3.116 N/A TYR 171.A N GLU 167.A O no hydrogen 3.118 N/A TYR 171.A OH GLU 167.A OE2 no hydrogen 2.552 N/A LEU 172.A N ILE 168.A O no hydrogen 2.822 N/A HIS 173.A N ASP 169.A O no hydrogen 3.027 N/A VAL 174.A N ARG 170.A O no hydrogen 3.101 N/A ALA 175.A N TYR 171.A O no hydrogen 2.783 N/A ARG 176.A N LEU 172.A O no hydrogen 2.993 N/A ARG 176.A NH1 GLY 203.A O no hydrogen 2.961 N/A ALA 177.A N HIS 173.A O no hydrogen 2.911 N/A PHE 178.A N VAL 174.A O no hydrogen 2.847 N/A GLY 179.A N ARG 176.A O no hydrogen 3.048 N/A PHE 180.A N ALA 175.A O no hydrogen 3.062 N/A HIS 181.A N LEU 139.A O no hydrogen 2.795 N/A MET 182.A N LEU 139.A O no hydrogen 3.164 N/A VAL 183.A N VAL 209.A O no hydrogen 2.815 N/A TYR 184.A N VAL 141.A O no hydrogen 2.752 N/A TYR 184.A OH SER 213.A OG no hydrogen 3.336 N/A LEU 185.A N PHE 211.A O no hydrogen 2.904 N/A TYR 186.A N LEU 143.A O no hydrogen 2.988 N/A SER 187.A N SER 213.A O no hydrogen 3.063 N/A SER 187.A OG PHE 145.A O no hydrogen 2.855 N/A ARG 188.A NE ASP 148.A OD1 no hydrogen 3.065 N/A ARG 188.A NE ASP 148.A OD2 no hydrogen 3.486 N/A ARG 188.A NE THR 151.A OG1 no hydrogen 3.184 N/A ARG 188.A NH2 THR 55.A OG1 no hydrogen 2.993 N/A ARG 188.A NH2 THR 151.A OG1 no hydrogen 3.019 N/A ASN 189.A ND2 GLU 147.A O no hydrogen 2.999 N/A GLU 190.A N SER 187.A OG no hydrogen 2.855 N/A GLU 195.A N GLU 195.A OE1 no hydrogen 2.773 N/A VAL 196.A N PRO 193.A O no hydrogen 2.854 N/A VAL 197.A N PRO 193.A O no hydrogen 3.189 N/A ARG 198.A N PRO 194.A O no hydrogen 2.965 N/A HIS 199.A N GLU 195.A O no hydrogen 3.060 N/A HIS 199.A NE2 ASP 169.A OD1 no hydrogen 2.855 N/A PHE 200.A N VAL 196.A O no hydrogen 2.900 N/A ARG 201.A N VAL 197.A O no hydrogen 2.904 N/A ARG 201.A NE ARG 201.A O no hydrogen 3.153 N/A ARG 201.A NH1 GLY 229.A O no hydrogen 3.274 N/A ARG 201.A NH1 ASP 231.A OD2 no hydrogen 2.843 N/A ARG 201.A NH2 GLY 205.A O no hydrogen 3.504 N/A ARG 201.A NH2 GLN 208.A O no hydrogen 3.043 N/A LYS 202.A N ARG 198.A O no hydrogen 3.026 N/A GLY 203.A N HIS 199.A O no hydrogen 3.201 N/A GLY 203.A N PHE 200.A O no hydrogen 3.154 N/A LEU 204.A N PHE 200.A O no hydrogen 2.947 N/A GLY 205.A N GLN 208.A OE1 no hydrogen 2.783 N/A GLN 208.A N GLY 205.A O no hydrogen 3.113 N/A GLN 208.A NE2 ALA 175.A O no hydrogen 2.936 N/A GLN 208.A NE2 PHE 180.A O no hydrogen 2.823 N/A VAL 209.A N HIS 181.A O no hydrogen 2.991 N/A LEU 210.A N ASP 231.A OD2 no hydrogen 2.763 N/A PHE 211.A N VAL 183.A O no hydrogen 2.853 N/A VAL 212.A N TYR 232.A O no hydrogen 2.975 N/A SER 213.A N LEU 185.A O no hydrogen 2.882 N/A SER 213.A OG TYR 184.A OH no hydrogen 3.336 N/A ASN 215.A ND2 ARG 188.A O no hydrogen 2.982 N/A ASN 215.A ND2 GLU 190.A O no hydrogen 2.786 N/A ARG 217.A N GLN 221.A OE1 no hydrogen 2.760 N/A SER 218.A OG GLN 221.A OE1 no hydrogen 3.367 N/A GLY 219.A N GLU 250.A OE1 no hydrogen 3.201 N/A GLY 219.A N GLU 250.A OE2 no hydrogen 3.234 N/A ARG 220.A NH1 GLU 224.A OE1 no hydrogen 3.266 N/A GLN 221.A N SER 218.A OG no hydrogen 3.185 N/A GLN 221.A NE2 ASN 215.A O no hydrogen 3.081 N/A VAL 222.A N SER 218.A O no hydrogen 3.192 N/A THR 223.A N GLY 219.A O no hydrogen 2.875 N/A THR 223.A OG1 GLY 219.A O no hydrogen 3.128 N/A GLU 224.A N ARG 220.A O no hydrogen 2.944 N/A TYR 225.A N GLN 221.A O no hydrogen 3.002 N/A TYR 225.A OH VAL 192.A O no hydrogen 2.645 N/A LEU 226.A N VAL 222.A O no hydrogen 2.932 N/A ASP 227.A N THR 223.A O no hydrogen 2.814 N/A SER 228.A N GLU 224.A O no hydrogen 2.951 N/A SER 228.A OG GLU 224.A O no hydrogen 3.175 N/A GLY 229.A N LEU 226.A O no hydrogen 2.981 N/A ALA 230.A N TYR 225.A O no hydrogen 3.029 N/A ASP 231.A N LEU 210.A O no hydrogen 2.823 N/A TYR 232.A N LEU 210.A O no hydrogen 3.142 N/A TYR 232.A OH LEU 14.A O no hydrogen 2.729 N/A VAL 233.A N GLY 20.A O no hydrogen 3.113 N/A GLY 234.A N VAL 212.A O no hydrogen 2.800 N/A PHE 235.A N VAL 22.A O no hydrogen 3.086 N/A LEU 239.A N ALA 236.A O no hydrogen 2.938 N/A GLU 240.A N GLY 237.A O no hydrogen 3.056 N/A GLN 241.A NE2 ALA 238.A O no hydrogen 3.162 N/A ARG 245.A NH1 GLU 41.A OE2 no hydrogen 2.937 N/A ARG 245.A NH2 GLU 37.A OE1 no hydrogen 3.234 N/A SER 246.A OG ASP 243.A OD1 no hydrogen 2.712 N/A SER 246.A OG ASP 243.A OD2 no hydrogen 3.463 N/A ALA 247.A N ASP 243.A O no hydrogen 3.359 N/A LEU 248.A N TRP 244.A O no hydrogen 2.872 N/A ALA 249.A N ARG 245.A O no hydrogen 3.028 N/A GLU 250.A N SER 246.A O no hydrogen 3.139 N/A ILE 251.A N ALA 247.A O no hydrogen 3.053 N/A ALA 252.A N LEU 248.A O no hydrogen 2.984 N/A GLY 253.A N ALA 249.A O no hydrogen 3.186 N/A