Finding intermodel H-bonds Finding intramodel H-bonds Constraints relaxed by 0.4 angstroms and 20 degrees Models used: #0 6pit_A.cif H-bonds (donor, acceptor, hydrogen, D..A dist, D-H..A dist): SER 3.A N ALA 1.A O no hydrogen 2.832 N/A GLN 8.A N THR 5.A OG1 no hydrogen 3.073 N/A MET 9.A N THR 5.A O no hydrogen 2.909 N/A VAL 10.A N ALA 6.A O no hydrogen 3.176 N/A SER 11.A N ASP 7.A O no hydrogen 2.979 N/A SER 11.A OG ASP 7.A O no hydrogen 2.902 N/A SER 11.A OG GLN 8.A O no hydrogen 3.289 N/A ALA 12.A N GLN 8.A O no hydrogen 3.151 N/A LEU 13.A N MET 9.A O no hydrogen 3.141 N/A LEU 14.A N VAL 10.A O no hydrogen 2.890 N/A ASP 15.A N SER 11.A O no hydrogen 3.190 N/A ALA 16.A N ALA 12.A O no hydrogen 3.262 N/A ALA 16.A N LEU 13.A O no hydrogen 3.242 N/A SER 23.A N ASN 90.A OD1 no hydrogen 2.931 N/A SER 23.A OG ASN 90.A OD1 no hydrogen 3.216 N/A LEU 29.A N SER 25.A O no hydrogen 3.104 N/A LEU 30.A N MET 26.A O no hydrogen 3.179 N/A THR 31.A N MET 27.A O no hydrogen 2.974 N/A THR 31.A OG1 MET 27.A O no hydrogen 2.563 N/A THR 31.A OG1 GLY 28.A O no hydrogen 3.330 N/A ASN 32.A N GLY 28.A O no hydrogen 3.067 N/A ASN 32.A ND2 GLY 28.A O no hydrogen 2.330 N/A LEU 33.A N LEU 29.A O no hydrogen 3.234 N/A ALA 34.A N LEU 30.A O no hydrogen 2.984 N/A ASP 35.A N THR 31.A O no hydrogen 2.981 N/A ARG 36.A N ASN 32.A O no hydrogen 3.265 N/A ARG 36.A NH1 TYR 22.A O no hydrogen 3.063 N/A ARG 36.A NH2 TYR 22.A O no hydrogen 2.402 N/A GLU 37.A N LEU 33.A O no hydrogen 2.990 N/A LEU 38.A N ALA 34.A O no hydrogen 2.869 N/A MET 41.A N GLU 37.A O no hydrogen 2.912 N/A ILE 42.A N LEU 38.A O no hydrogen 3.035 N/A ASN 43.A N VAL 39.A O no hydrogen 3.518 N/A ASN 43.A ND2 VAL 39.A O no hydrogen 3.091 N/A TRP 44.A N HIS 40.A O no hydrogen 3.016 N/A ALA 45.A N MET 41.A O no hydrogen 2.838 N/A LYS 46.A N ILE 42.A O no hydrogen 3.326 N/A ARG 47.A N TRP 44.A O no hydrogen 3.077 N/A VAL 48.A N ALA 45.A O no hydrogen 3.049 N/A PHE 51.A N VAL 48.A O no hydrogen 3.014 N/A LEU 54.A N PHE 51.A O no hydrogen 3.225 N/A THR 55.A N GLU 148.A OE1 no hydrogen 3.503 N/A THR 55.A OG1 ASP 58.A OD2 no hydrogen 2.380 N/A ASP 58.A N THR 55.A O no hydrogen 3.093 N/A ASP 58.A N THR 55.A OG1 no hydrogen 3.359 N/A GLN 59.A N THR 55.A O no hydrogen 2.930 N/A GLN 59.A NE2 LEU 54.A O no hydrogen 2.836 N/A VAL 60.A N LEU 56.A O no hydrogen 2.979 N/A HIS 61.A N HIS 57.A O no hydrogen 3.259 N/A HIS 61.A NE2 GLY 138.A O no hydrogen 2.968 N/A HIS 61.A NE2 THR 141.A OG1 no hydrogen 2.876 N/A LEU 62.A N ASP 58.A O no hydrogen 3.086 N/A LEU 63.A N GLN 59.A O no hydrogen 3.108 N/A GLU 64.A N VAL 60.A O no hydrogen 2.864 N/A TRP 66.A NE1 MET 216.A O no hydrogen 3.124 N/A ILE 69.A N ALA 65.A O no hydrogen 2.902 N/A LEU 70.A N TRP 66.A O no hydrogen 3.058 N/A MET 71.A N LEU 67.A O no hydrogen 2.912 N/A ILE 72.A N GLU 68.A O no hydrogen 2.918 N/A GLY 73.A N ILE 69.A O no hydrogen 3.223 N/A LEU 74.A N LEU 70.A O no hydrogen 3.007 N/A VAL 75.A N MET 71.A O no hydrogen 2.871 N/A TRP 76.A N ILE 72.A O no hydrogen 3.059 N/A ARG 77.A N GLY 73.A O no hydrogen 3.199 N/A ARG 77.A NE LEU 86.A O no hydrogen 2.765 N/A ARG 77.A NH2 PHE 87.A O no hydrogen 3.160 N/A SER 78.A N VAL 75.A O no hydrogen 3.394 N/A SER 78.A OG LEU 74.A O no hydrogen 2.555 N/A MET 79.A N TRP 76.A O no hydrogen 3.381 N/A HIS 81.A N SER 78.A O no hydrogen 2.957 N/A LYS 84.A N HIS 81.A O no hydrogen 3.098 N/A LEU 85.A N LEU 93.A O no hydrogen 2.742 N/A LEU 86.A N SER 78.A OG no hydrogen 2.885 N/A ALA 88.A N LEU 91.A O no hydrogen 3.467 N/A ASN 90.A ND2 SER 23.A O no hydrogen 2.765 N/A LEU 91.A N ALA 88.A O no hydrogen 2.818 N/A LEU 93.A N LEU 85.A O no hydrogen 2.921 N/A ASP 94.A N GLN 97.A OE1 no hydrogen 2.469 N/A ARG 95.A N ASP 94.A OD1 no hydrogen 2.803 N/A ARG 95.A NE ASP 107.A OD1 no hydrogen 2.539 N/A ARG 95.A NH2 ASP 107.A OD2 no hydrogen 3.042 N/A GLY 98.A N ARG 95.A O no hydrogen 2.827 N/A LYS 99.A N ASN 96.A O no hydrogen 3.257 N/A LYS 99.A NZ ASN 96.A OD1 no hydrogen 3.306 N/A CYS 100.A SG GLN 97.A O no hydrogen 3.457 N/A PHE 106.A N MET 102.A O no hydrogen 2.983 N/A ASP 107.A N VAL 103.A O no hydrogen 2.963 N/A MET 108.A N GLU 104.A O no hydrogen 3.375 N/A LEU 109.A N ILE 105.A O no hydrogen 3.097 N/A LEU 110.A N PHE 106.A O no hydrogen 2.795 N/A ALA 111.A N ASP 107.A O no hydrogen 2.824 N/A THR 112.A N MET 108.A O no hydrogen 2.970 N/A THR 112.A OG1 MET 108.A O no hydrogen 2.665 N/A SER 113.A N LEU 109.A O no hydrogen 2.992 N/A SER 113.A OG VAL 75.A O no hydrogen 3.282 N/A SER 114.A N LEU 110.A O no hydrogen 2.934 N/A ARG 115.A N ALA 111.A O no hydrogen 2.974 N/A PHE 116.A N THR 112.A O no hydrogen 2.991 N/A ARG 117.A N SER 113.A O no hydrogen 3.239 N/A ARG 117.A NH1 MET 79.A O no hydrogen 2.651 N/A MET 118.A N SER 114.A O no hydrogen 3.095 N/A MET 119.A N ARG 115.A O no hydrogen 3.236 N/A ASN 120.A N ARG 117.A O no hydrogen 3.034 N/A LEU 121.A N PHE 116.A O no hydrogen 3.023 N/A GLN 122.A N GLU 125.A OE1 no hydrogen 3.449 N/A GLU 124.A N GLU 124.A OE1 no hydrogen 2.615 N/A GLU 125.A N GLN 122.A O no hydrogen 3.013 N/A PHE 126.A N GLN 122.A O no hydrogen 2.994 N/A VAL 127.A N GLY 123.A O no hydrogen 3.212 N/A CYS 128.A SG GLU 124.A O no hydrogen 3.243 N/A LEU 129.A N GLU 125.A O no hydrogen 3.052 N/A LYS 130.A N PHE 126.A O no hydrogen 3.027 N/A LYS 130.A NZ GLU 17.A OE1 no hydrogen 2.570 N/A LYS 130.A NZ GLU 17.A OE2 no hydrogen 3.300 N/A SER 131.A N.A VAL 127.A O no hydrogen 3.371 N/A SER 131.A N.B VAL 127.A O no hydrogen 3.377 N/A SER 131.A OG.A VAL 127.A O no hydrogen 3.139 N/A SER 131.A OG.A CYS 128.A O no hydrogen 2.624 N/A SER 131.A OG.B VAL 127.A O no hydrogen 3.163 N/A ILE 132.A N CYS 128.A O no hydrogen 2.969 N/A ILE 133.A N LEU 129.A O no hydrogen 3.046 N/A LEU 134.A N LYS 130.A O no hydrogen 3.213 N/A LEU 135.A N SER 131.A O.A no hydrogen 3.326 N/A LEU 135.A N SER 131.A O.B no hydrogen 3.313 N/A ASN 136.A N ILE 132.A O no hydrogen 2.814 N/A SER 137.A N ILE 133.A O no hydrogen 3.010 N/A SER 137.A OG GLU 68.A OE1 no hydrogen 2.704 N/A SER 137.A OG ILE 133.A O no hydrogen 2.793 N/A VAL 139.A N ASN 136.A O no hydrogen 3.368 N/A THR 141.A N GLY 138.A O no hydrogen 3.292 N/A THR 141.A OG1 HIS 61.A NE2 no hydrogen 2.876 N/A THR 141.A OG1 GLY 138.A O no hydrogen 2.914 N/A THR 142.A OG1 SER 145.A OG no hydrogen 3.043 N/A SER 145.A N THR 142.A OG1 no hydrogen 3.374 N/A SER 145.A OG THR 142.A O no hydrogen 3.092 N/A SER 145.A OG THR 142.A OG1 no hydrogen 3.043 N/A GLU 147.A N LEU 143.A O no hydrogen 2.888 N/A ASP 150.A N LEU 146.A O no hydrogen 2.971 N/A HIS 151.A N GLU 147.A O no hydrogen 3.028 N/A HIS 151.A NE2 GLY 50.A O no hydrogen 3.090 N/A ILE 152.A N GLU 148.A O no hydrogen 3.099 N/A HIS 153.A N LYS 149.A O no hydrogen 3.082 N/A ARG 154.A N ASP 150.A O no hydrogen 2.913 N/A VAL 155.A N HIS 151.A O no hydrogen 3.048 N/A LEU 156.A N ILE 152.A O no hydrogen 2.961 N/A ASP 157.A N HIS 153.A O no hydrogen 3.007 N/A LYS 158.A N ARG 154.A O no hydrogen 2.990 N/A LYS 158.A NZ LEU 4.A O no hydrogen 2.991 N/A ILE 159.A N VAL 155.A O no hydrogen 2.973 N/A THR 160.A N LEU 156.A O no hydrogen 3.045 N/A THR 160.A OG1 LEU 156.A O no hydrogen 2.852 N/A ASP 161.A N ASP 157.A O no hydrogen 2.980 N/A THR 162.A N LYS 158.A O no hydrogen 3.045 N/A THR 162.A OG1 LYS 158.A O no hydrogen 2.830 N/A LEU 163.A N ILE 159.A O no hydrogen 2.903 N/A ILE 164.A N THR 160.A O no hydrogen 3.015 N/A HIS 165.A N ASP 161.A O no hydrogen 2.924 N/A HIS 165.A NE2 ASP 7.A OD2 no hydrogen 2.989 N/A LEU 166.A N THR 162.A O no hydrogen 3.043 N/A MET 167.A N LEU 163.A O no hydrogen 3.195 N/A ALA 168.A N ILE 164.A O no hydrogen 2.816 N/A LYS 169.A N HIS 165.A O no hydrogen 2.937 N/A LYS 169.A NZ ASP 7.A OD2 no hydrogen 2.332 N/A ALA 170.A N LEU 166.A O no hydrogen 3.020 N/A GLY 171.A N ALA 168.A O no hydrogen 3.105 N/A LEU 172.A N MET 167.A O no hydrogen 3.158 N/A THR 173.A N GLN 176.A OE1 no hydrogen 3.348 N/A GLN 176.A N THR 173.A OG1 no hydrogen 3.418 N/A GLN 177.A N THR 173.A O no hydrogen 2.925 N/A GLN 177.A NE2 LEU 172.A O no hydrogen 2.927 N/A HIS 178.A N LEU 174.A O no hydrogen 3.323 N/A GLN 179.A N GLN 175.A O no hydrogen 3.156 N/A ARG 180.A N GLN 176.A O no hydrogen 2.964 N/A ARG 180.A NE GLU 125.A OE2 no hydrogen 3.016 N/A ARG 180.A NH1 MET 119.A O no hydrogen 2.839 N/A ARG 180.A NH2 MET 119.A O no hydrogen 3.126 N/A ARG 180.A NH2 ASN 120.A O no hydrogen 3.466 N/A ARG 180.A NH2 GLU 125.A OE1 no hydrogen 2.706 N/A LEU 181.A N GLN 177.A O no hydrogen 2.964 N/A ALA 182.A N HIS 178.A O no hydrogen 3.059 N/A GLN 183.A N GLN 179.A O no hydrogen 2.926 N/A LEU 184.A N ARG 180.A O no hydrogen 3.003 N/A LEU 185.A N LEU 181.A O no hydrogen 3.172 N/A LEU 186.A N ALA 182.A O no hydrogen 2.989 N/A ILE 187.A N GLN 183.A O no hydrogen 3.209 N/A ILE 187.A N LEU 184.A O no hydrogen 3.181 N/A SER 189.A N LEU 186.A O no hydrogen 3.155 N/A HIS 190.A N.B ILE 187.A O no hydrogen 2.989 N/A ILE 191.A N ILE 187.A O no hydrogen 2.991 N/A ARG 192.A N LEU 188.A O no hydrogen 3.022 N/A ARG 192.A NH1 SER 137.A O no hydrogen 3.132 N/A ARG 192.A NH2 SER 137.A O no hydrogen 3.082 N/A HIS 193.A N SER 189.A O no hydrogen 3.048 N/A MET 194.A N HIS 190.A O.A no hydrogen 2.870 N/A MET 194.A N HIS 190.A O.B no hydrogen 2.869 N/A SER 195.A N ILE 191.A O no hydrogen 2.993 N/A ASN 196.A N ARG 192.A O no hydrogen 3.015 N/A LYS 197.A N HIS 193.A O no hydrogen 3.165 N/A GLY 198.A N MET 194.A O no hydrogen 2.769 N/A MET 199.A N SER 195.A O no hydrogen 2.749 N/A GLU 200.A N ASN 196.A O no hydrogen 3.107 N/A HIS 201.A N LYS 197.A O no hydrogen 3.041 N/A LEU 202.A N GLY 198.A O no hydrogen 2.840 N/A TYR 203.A N MET 199.A O no hydrogen 3.041 N/A SER 204.A N GLU 200.A O no hydrogen 3.073 N/A SER 204.A OG HIS 201.A O no hydrogen 3.083 N/A MET 205.A N HIS 201.A O no hydrogen 2.986 N/A LYS 206.A N LEU 202.A O no hydrogen 3.191 N/A LYS 206.A N TYR 203.A O no hydrogen 3.072 N/A SER 210.A OG ASP 35.A OD1 no hydrogen 2.419 N/A LEU 213.A N SER 210.A OG no hydrogen 3.391 N/A LEU 214.A N SER 210.A O no hydrogen 2.948 N/A GLU 215.A N ASP 211.A O no hydrogen 3.147 N/A MET 216.A N LEU 212.A O no hydrogen 3.036 N/A LEU 217.A N LEU 213.A O no hydrogen 3.048 N/A ASP 218.A N LEU 214.A O no hydrogen 2.788 N/A ALA 219.A N GLU 215.A O no hydrogen 3.143 N/A HIS 220.A N LEU 217.A O no hydrogen 2.938 N/A HIS 220.A NE2 GLU 64.A O no hydrogen 2.699 N/A