A0A5K4F3H5_SCHMA Loading...

Phosphodiesterase I AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4F3H5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 2,388 aa.

>A0A5K4F3H5_SCHMA|A0A5K4F3H5
MDEEVIKEQEDGLRCDILDLKAQIEENELIHGIPSKGMGSVYVPKDPEHFSRERKCALHKSMQVLQPQSSFLQADLMVRELDASSRREYTEKSIPILLHQFFIDRMHQMVILKHSHLLRWKRYCFSTSATESICSEYLNKLQQLTNEYLDASSRARRLASTTEGLLAGSDCDVEDVTVDDYQVYLRHMIYHLRSLSYVNQISNMVKWFPYHYRDKLKESLNKENTDAAKKDHLFDKQVSQEHKMLTRFTPINKTEILYENFSDDRSKRNDLRTMSNDEDDIMSLTVPKDKDEVNINRTSGLPGKSSAYNKKQEIIGKVNTNTSKENGNENIRGKSVSFRPNEEKVCIAQNEGVSERSPRHLRFSDQARQPSRMEHSISMSPNDRLLTKSNSLLLAVTSDVANEKVSVLPLYTNDLETLRPHLILLCQTYNIQMDIDSIRSIADEMELFAVINRKFQYIFNRQEEMYDFRTYDHTKAISERWGLDMWLHAMKKPGNWLEFIKLKPKRDECVVKTMMELRCNTRIDELLLAASKLLHFRSSERVQDALRHHVMVIQHPPKIQTASVVSHKDGQNTVEIFKKIYTNPELYSNSIGSVESGKSKSDDYDFAQTMRLLGLDDDMSGSNDSISGQGAFLSFLHLRHLKLRDLMRTCISVLNYFRSIERTLTINDQGLSMNSKGGVERTSPQNHRVGVDGQDNQRCGNSLNVHGYLFNTPQEFKVKELEFMQFAEVENHDDFYYHEEGRIHVKDQVGYWIVYDCALNDFKELEHDLLLIATKFLQNNKPTLISVNDKQKSTITDTHREDLDIASYAHREVDRFGILYDIWSNETAFQETKKNLMDIYVEAYNHIISRDSRRKLAQMMTDLMYKRPRLDLNENYFVTAYKYECAILRQRKEIMKSILNNQVSNEREYLKKLHADKVEYGLPPPLIEKCLIAPNTDEPVLCPVYLLEFHPSLACTPSLIESMDESVRTTITMLTPKRQIQRIILEKLFFDYLKNEIDTWRPLGTSYTAQIQKDLFSPYFIEDVVQMSELCNQYILSVQQRNSRGDKKTRQNYLLNELGRLLDLVTLRHRLLDCMWECEILSKLYLSISNQMGFNDFHLFIRPSQFESAKYKEGVEELKPPIYITSIHDDDSSLDKYLPSTLPLAIHELDETQVGKFSFRGKATVMEMLEPRGIENLLTILQVQTVHKNGLIAAILLAFNGCPAFYTSHAPKVKNGLIRTVDTGNNSINNNEVSDARIVPNPLTVERSTHQLNAQYYPEAFFSIQLEKGPSRDRVCNAFIKKTQGGGVTASKSTAESEKMKREFITQFCHDYCERVQHASLRAQIIETYSSILITLENVPVVREEFFIIGYAFEKKSPEEDLDKQETDFKSLRNRPRRVLSSVGTEFYNLWFIPHFIEVLFVFRHLNDEACTQALRLMARIARALHDILHYLVAYARLGISSSRITAEQKHQISSTFDKNQIKSTIGKTVNSSKQTTTNVTSAGSNRSRSSISSTLADPTTPLDSNIQEHSLVVDQLIATELREIQYQINHLPNSTDPEQIIQLLTLRREIMFLKFDLCIRNTLGETFLAAGNEDAYNELTENSRFPLFELSNSPRPCVNSIELSIPEPLEPQDDKAQEILPWRTMINYYGPYLQLNSSWKQIEHNIRLCLAGLKPVDRPTVHGELLAMNLTLDDIVETGDLVEACAGDRLAIQEADNMHLTLGKRTKDKKREGTPKAEETIVRQTTNTQTQDLDRNTVKDSEMIKLSILNTPIAAYELIKKYLILRKRIESLKYAWGTRRLGIERINTSKTFKMFCSLYKNEQLYSLIRNLSLQFNQPDIYTLASLGDTDIFVIPKNIPEIIVRQRQLLKLIEAFELFMISDLRKLIVRQTDLVIKERNREEGNLPLDLWKRPAMKETLSVKRPALAEEFLNQLISHSIHNEESDIYTITKENFNLIVQNVAISVMYNEKETFEHYSMYYENLLKNQHHLMYANEREIQDLRDKLHQKDLETGTTVQFQMSEQVHDLLLEVTALRARILELEAKHKETEAQVQKRVRKELDDSIRKLFGISFEQKSCIDEYRNQLKAITLQRIAEIKEEASTEMLRIKERTAVGTSADELAKRNYHLSKEITTLHQYNISLQQMMNRLKVMSQWQQTTLKCTFEKQLGIVENQRNQNKTNTTRMNMLSEQHIRLLNEEITNMREHLANTQKHLNDLRIALDKEMKDKIDRKHAAERKAATDKQMAIVKQMHIDQLITEITEKDNELNEMNTILSVSAKSRKQEADKSIRQVDLLRKQLKEEKRLKQSALQKIDDIMSQLYQFESVQTASSEIKQKHASANLLDRTDKRQSTGIQTKVQGDQVQKTRPVTVSIPSLRERLAEKLLKSIPPDAHIQLVQFQKEEKAFNN
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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M34Very low67Low169 Ų16990.7 Ų90.783%0.83344%0.441SS*.  0-1230-48.1-48.1-75.500107.8E3 E4M1-E3 PolarHBondContact O-N 3.39Å; M1-E4 PolarHBondContact N-OE2 2.77Å; M1-E4 WeakPolarHBondContact O-CB 3.49Å; M1-E4 PolarHBondContact O-N 2.8Å
2D44.2Very low68.6Low73 Ų7384.3 Ų84.339%0.3942%0.416SS..Hα-helixtrans-61.3-39.5-159.4-48.58.4000114.6E4 V5 K1851D2-E4 PolarHBondContact O-N 3.41Å; D2-V5 PolarHBondContact O-N 2.96Å; D2-K1851 IonicContact OD2-NZ 2.9Å; D2-K1851 PolarHBondContact OD2-NZ 3.05Å
3E50.3Low69.6Low103 Ų10378.1 Ų78.148%0.48139%0.386SS..Hα-helixtrans-60-26175-72.2168.113700113.5M1 K1708M1-E3 PolarHBondContact O-N 3.39Å; E3-K1708 IonicContact OE1-NZ 3.72Å; E3-K1708 PolarHBondContact OE1-NZ 3.02Å; E3-K1708 IonicContact OE2-NZ 2.73Å; E3-K1708 PolarHBondContact OE2-NZ 2.96Å
4E64.8Low70.6Confident133 Ų13382.4 Ų82.462%0.62140%0.395SS*.Hα-helixtrans-81.2-27.7-179-64.7162.514700111.3M1 D2 K7 E8M1-E4 PolarHBondContact N-OE2 2.77Å; M1-E4 WeakPolarHBondContact O-CB 3.49Å; M1-E4 PolarHBondContact O-N 2.8Å; D2-E4 PolarHBondContact O-N 3.41Å; E4-K7 PolarHBondContact O-N 2.77Å; E4-E8 VanDerWaalsContact O-CB 3.32Å; E4-E8 WeakPolarHBondContact O-CB 3.39Å; E4-E8 PolarHBondContact O-N 3.26Å
5V73.2Confident71.6Confident61 Ų6181.5 Ų81.537%0.3740%0.4SS..Hα-helixtrans-71.2-44-175.3-1750000112D2 K7 E8 Q9 L1858D2-V5 PolarHBondContact O-N 2.96Å; V5-K7 VanDerWaalsContact C-N 3.3Å; V5-K7 PolarHBondContact O-N 3.03Å; V5-E8 PolarHBondContact O-N 3.49Å; V5-Q9 WeakPolarHBondContact O-CG 3.02Å; V5-Q9 PolarHBondContact O-N 2.92Å; V5-Q9 VanDerWaalsContact O-N 3.09Å; V5-L1858 HydrophobicContact CG1-CD2 4.11Å
6I71.6Confident72.4Confident19 Ų1977.9 Ų77.910%0.09738%0.383CS..Hα-helixtrans-62-44.3174.4-68.1175.6000109.5E8 Q9 E10 E1854 E1857 L1858 I1861I6-E8 PolarHBondContact O-N 3.35Å; I6-Q9 PolarHBondContact O-N 2.78Å; I6-E10 HydrophobicContact CG2-CG 4.48Å; I6-E10 PolarHBondContact O-N 3.27Å; I6-E1854 HydrophobicContact CD1-CG 4.03Å; I6-E1857 HydrophobicContact CG2-CG 4.42Å; I6-L1858 HydrophobicContact CG1-CD2 3.84Å; I6-L1858 HydrophobicContact CG1-CG 4.08Å; I6-I1861 HydrophobicContact CG2-CD1 4.21Å
7K75.9Confident73Confident129 Ų12973.3 Ų73.356%0.56136%0.36SS*.Hα-helixtrans-63.8-43.8-179.5-162.3-161.8171.9-134.60112E4 V5 Q9 E10 D11E4-K7 PolarHBondContact O-N 2.77Å; V5-K7 VanDerWaalsContact C-N 3.3Å; V5-K7 PolarHBondContact O-N 3.03Å; K7-Q9 VanDerWaalsContact C-N 3.25Å; K7-Q9 PolarHBondContact O-N 2.87Å; K7-E10 PolarHBondContact O-N 3Å; K7-D11 WeakPolarHBondContact CE-OD2 3.38Å; K7-D11 IonicContact NZ-OD2 3.79Å; K7-D11 PolarHBondContact NZ-OD2 3.4Å; K7-D11 WeakPolarHBondContact O-CB 3.34Å; K7-D11 PolarHBondContact O-N 3.49Å
8E79.5Confident73.6Confident129 Ų12974.2 Ų74.260%0.60337%0.366SS*.Hα-helixtrans-59-36.2174.7-175.9-180-165.900112E4 V5 I6 G12E4-E8 VanDerWaalsContact O-CB 3.32Å; E4-E8 WeakPolarHBondContact O-CB 3.39Å; E4-E8 PolarHBondContact O-N 3.26Å; V5-E8 PolarHBondContact O-N 3.49Å; I6-E8 PolarHBondContact O-N 3.35Å; E8-G12 PolarHBondContact O-N 2.8Å
9Q78.9Confident74.1Confident56 Ų5675.3 Ų75.326%0.26237%0.374SS..Hα-helixtrans-75.7-33.7174.6-65.6-58.7-37.300113.5V5 I6 K7 L13 L1858 I1861V5-Q9 WeakPolarHBondContact O-CG 3.02Å; V5-Q9 PolarHBondContact O-N 2.92Å; V5-Q9 VanDerWaalsContact O-N 3.09Å; I6-Q9 PolarHBondContact O-N 2.78Å; K7-Q9 VanDerWaalsContact C-N 3.25Å; K7-Q9 PolarHBondContact O-N 2.87Å; Q9-L13 VanDerWaalsContact O-CB 3.29Å; Q9-L13 WeakPolarHBondContact O-CB 3.44Å; Q9-L13 PolarHBondContact O-N 3.38Å; Q9-L1858 HydrophobicContact CG-CD2 4.11Å; Q9-I1861 HydrophobicContact CB-CB 4.49Å; Q9-I1861 HydrophobicContact CB-CD1 4.48Å; Q9-I1861 HydrophobicContact CB-CG2 3.75Å; Q9-I1861 WeakPolarHBondContact O-CG2 3.4Å
10E80.9Confident74.4Confident59 Ų5971.6 Ų71.628%0.27636%0.355SS..Hα-helixtrans-70.7-44172-74.3-156127.200112.5I6 K7 G12 L13 R14 S51 R54 I1861I6-E10 HydrophobicContact CG2-CG 4.48Å; I6-E10 PolarHBondContact O-N 3.27Å; K7-E10 PolarHBondContact O-N 3Å; E10-G12 VanDerWaalsContact C-N 3.32Å; E10-L13 PolarHBondContact O-N 3.2Å; E10-R14 WeakPolarHBondContact O-CB 3.37Å; E10-R14 PolarHBondContact O-N 3.39Å; E10-S51 PolarHBondContact OE1-OG 3.12Å; E10-R54 IonicContact OE1-CZ 3.73Å; E10-R54 IonicContact OE1-NH2 3.21Å; E10-R54 PolarHBondContact OE1-NH2 3.42Å; E10-I1861 HydrophobicContact CG-CD1 3.74Å
11D84Confident74.7Confident67 Ų6769.9 Ų69.936%0.35835%0.346SS..Hα-helixtrans-62.3-40.9174.1-77.4-31.5000109.9K7 R14 C15K7-D11 WeakPolarHBondContact CE-OD2 3.38Å; K7-D11 IonicContact NZ-OD2 3.79Å; K7-D11 PolarHBondContact NZ-OD2 3.4Å; K7-D11 WeakPolarHBondContact O-CB 3.34Å; K7-D11 PolarHBondContact O-N 3.49Å; D11-R14 WeakPolarHBondContact O-CB 3.31Å; D11-R14 PolarHBondContact O-N 2.57Å; D11-C15 PolarHBondContact O-N 3.07Å; D11-C15 VanDerWaalsContact O-N 3.13Å
12G85.5Confident76.8Confident14 Ų1464.1 Ų64.114%0.14433%0.325CS..Hα-helixtrans-64.2-44.3172.700000113.8E8 E10 R14 C15 D16E8-G12 PolarHBondContact O-N 2.8Å; E10-G12 VanDerWaalsContact C-N 3.32Å; G12-R14 VanDerWaalsContact C-N 3.28Å; G12-R14 PolarHBondContact O-N 2.72Å; G12-C15 WeakPolarHBondContact O-CB 3.48Å; G12-C15 PolarHBondContact O-N 3.33Å; G12-D16 PolarHBondContact O-N 3.28Å; G12-D16 VanDerWaalsContact O-OD1 3.11Å
13L81.4Confident78.3Confident3 Ų362.7 Ų62.72%0.01632%0.316CS..Hα-helixtrans-63.1-35.5174.417361.1000112Q9 E10 C15 D16 I17 I1861 L1864 R1865 I1868Q9-L13 VanDerWaalsContact O-CB 3.29Å; Q9-L13 WeakPolarHBondContact O-CB 3.44Å; Q9-L13 PolarHBondContact O-N 3.38Å; E10-L13 PolarHBondContact O-N 3.2Å; L13-C15 VanDerWaalsContact C-N 3.33Å; L13-D16 PolarHBondContact O-N 2.66Å; L13-I17 HydrophobicContact CD1-CD1 3.86Å; L13-I17 HydrophobicContact CD1-CG1 4.01Å; L13-I17 HydrophobicContact CD2-CD1 4.49Å; L13-I17 HydrophobicContact CG-CD1 3.89Å; L13-I17 HydrophobicContact CG-CG1 4.45Å; L13-I17 WeakPolarHBondContact O-CG1 3.39Å; L13-I17 PolarHBondContact O-N 2.62Å; L13-I1861 HydrophobicContact CB-CG2 4.13Å; L13-I1861 HydrophobicContact CD2-CG2 4.17Å; L13-L1864 HydrophobicContact CD1-CB 4.41Å; L13-L1864 HydrophobicContact CD1-CD2 3.57Å; L13-L1864 HydrophobicContact CD2-CB 4.38Å; L13-L1864 HydrophobicContact CD2-CD1 4.38Å; L13-L1864 HydrophobicContact CD2-CD2 4.09Å; L13-L1864 HydrophobicContact CG-CD2 4.41Å; L13-R1865 HydrophobicContact CB-CG 3.75Å; L13-R1865 HydrophobicContact CD1-CB 4.5Å; L13-R1865 HydrophobicContact CD1-CG 3.62Å; L13-R1865 HydrophobicContact CG-CG 4.21Å; L13-I1868 HydrophobicContact CD1-CG1 4.38Å
14R84.1Confident79.2Confident139 Ų13958.5 Ų58.553%0.52530%0.297SS..Hα-helixtrans-62.8-39.6174.9175.1174.9-170.2174.17.4111.5E10 D11 G12 L18 P47E10-R14 WeakPolarHBondContact O-CB 3.37Å; E10-R14 PolarHBondContact O-N 3.39Å; D11-R14 WeakPolarHBondContact O-CB 3.31Å; D11-R14 PolarHBondContact O-N 2.57Å; G12-R14 VanDerWaalsContact C-N 3.28Å; G12-R14 PolarHBondContact O-N 2.72Å; R14-L18 HydrophobicContact CG-CD1 4.07Å; R14-L18 WeakPolarHBondContact O-CB 3.34Å; R14-L18 WeakPolarHBondContact O-CD1 3.47Å; R14-L18 VanDerWaalsContact O-CG 3.25Å; R14-L18 WeakPolarHBondContact O-CG 3.22Å; R14-L18 PolarHBondContact O-N 3.4Å; R14-L18 VanDerWaalsContact O-N 3.13Å; R14-P47 HydrophobicContact CB-CB 4.48Å; R14-P47 HydrophobicContact CB-CG 4.31Å; R14-P47 HydrophobicContact CG-CG 4.09Å
15C86.3Confident79.4Confident69 Ų6957 Ų5747%0.46629%0.29SS..Hα-helixtrans-62.3-53.9170.5-67.90000111.1D11 G12 L13 I17 L18 D19D11-C15 PolarHBondContact O-N 3.07Å; D11-C15 VanDerWaalsContact O-N 3.13Å; G12-C15 WeakPolarHBondContact O-CB 3.48Å; G12-C15 PolarHBondContact O-N 3.33Å; L13-C15 VanDerWaalsContact C-N 3.33Å; C15-I17 PolarHBondContact O-N 3.39Å; C15-I17 VanDerWaalsContact O-N 3.15Å; C15-L18 PolarHBondContact O-N 2.81Å; C15-D19 PolarHBondContact O-N 3.11Å
16D84.3Confident79Confident23 Ų2357.9 Ų57.912%0.12329%0.29CS..Hα-helixtrans-53.5-40.9-179-57.5-7.2000112.4G12 L13 L20 R1865 I1868G12-D16 PolarHBondContact O-N 3.28Å; G12-D16 VanDerWaalsContact O-OD1 3.11Å; L13-D16 PolarHBondContact O-N 2.66Å; D16-L20 PolarHBondContact O-N 2.88Å; D16-R1865 IonicContact OD1-CZ 2.9Å; D16-R1865 IonicContact OD1-NE 3.03Å; D16-R1865 IonicContact OD1-NH2 2.73Å; D16-R1865 PolarHBondContact OD1-NH2 2.95Å; D16-R1865 WeakPolarHBondContact OD2-CB 3.32Å; D16-R1865 VanDerWaalsContact OD2-CG 3.3Å; D16-R1865 WeakPolarHBondContact OD2-CG 3.44Å; D16-R1865 IonicContact OD2-CZ 3.81Å; D16-R1865 IonicContact OD2-NE 3.23Å; D16-R1865 PolarHBondContact OD2-NE 2.96Å; D16-R1865 IonicContact OD2-NH2 3.26Å; D16-R1865 PolarHBondContact OD2-NH2 3.2Å; D16-I1868 HydrophobicContact CB-CB 4.48Å; D16-I1868 HydrophobicContact CB-CG2 3.79Å; D16-I1868 VanDerWaalsContact O-CG2 3.23Å; D16-I1868 WeakPolarHBondContact O-CG2 3.18Å
17I82.1Confident78.2Confident0 Ų058.7 Ų58.70%029%0.294CS..Hα-helixtrans-68.6-42.1177.5-71.2169.5000111.9L13 C15 L20 K21 P44 P47 F50 L1864 I1868L13-I17 HydrophobicContact CD1-CD1 3.86Å; L13-I17 HydrophobicContact CD1-CG1 4.01Å; L13-I17 HydrophobicContact CD2-CD1 4.49Å; L13-I17 HydrophobicContact CG-CD1 3.89Å; L13-I17 HydrophobicContact CG-CG1 4.45Å; L13-I17 WeakPolarHBondContact O-CG1 3.39Å; L13-I17 PolarHBondContact O-N 2.62Å; C15-I17 PolarHBondContact O-N 3.39Å; C15-I17 VanDerWaalsContact O-N 3.15Å; I17-L20 PolarHBondContact O-N 3.03Å; I17-K21 WeakPolarHBondContact O-CG 3.21Å; I17-K21 PolarHBondContact O-N 3.27Å; I17-P44 HydrophobicContact CG2-CB 4.35Å; I17-P44 HydrophobicContact CG2-CG 4.06Å; I17-P47 HydrophobicContact CB-CG 4.42Å; I17-P47 HydrophobicContact CD1-CB 4.37Å; I17-P47 HydrophobicContact CD1-CG 4.13Å; I17-P47 HydrophobicContact CG2-CG 4.18Å; I17-F50 HydrophobicContact CD1-CD2 3.79Å; I17-F50 HydrophobicContact CD1-CE2 3.96Å; I17-L1864 HydrophobicContact CD1-CD2 4.47Å; I17-I1868 HydrophobicContact CG1-CD1 4.02Å; I17-I1868 HydrophobicContact CG1-CG1 4.07Å; I17-I1868 HydrophobicContact CG1-CG2 4.4Å
18L83.7Confident77.1Confident89 Ų8956 Ų5647%0.46628%0.284SS..Hα-helixtrans-67.6-37.6178.2-73.6169.6000111.4R14 C15 K21 A22R14-L18 HydrophobicContact CG-CD1 4.07Å; R14-L18 WeakPolarHBondContact O-CB 3.34Å; R14-L18 WeakPolarHBondContact O-CD1 3.47Å; R14-L18 VanDerWaalsContact O-CG 3.25Å; R14-L18 WeakPolarHBondContact O-CG 3.22Å; R14-L18 PolarHBondContact O-N 3.4Å; R14-L18 VanDerWaalsContact O-N 3.13Å; C15-L18 PolarHBondContact O-N 2.81Å; L18-K21 PolarHBondContact O-N 3.31Å; L18-A22 WeakPolarHBondContact O-CB 3.5Å; L18-A22 PolarHBondContact O-N 2.78Å
19D83.5Confident75.7Confident96 Ų9657.1 Ų57.151%0.51329%0.293SS..Hα-helixtrans-64.4-41.5174.1-69.1-16.3000111C15 A22 Q23C15-D19 PolarHBondContact O-N 3.11Å; D19-A22 PolarHBondContact O-N 2.68Å; D19-Q23 VanDerWaalsContact O-CG 3.29Å; D19-Q23 WeakPolarHBondContact O-CG 3.43Å; D19-Q23 PolarHBondContact O-N 3.48Å
20L79.9Confident74.3Confident0 Ų058.9 Ų58.90%030%0.303CS..Hα-helixtrans-62.7-45173.5179.553.5000112.1D16 I17 Q23 I24 V41 P44 I1868 Q1871 T1872 V1875D16-L20 PolarHBondContact O-N 2.88Å; I17-L20 PolarHBondContact O-N 3.03Å; L20-Q23 PolarHBondContact O-N 2.91Å; L20-I24 HydrophobicContact CD1-CD1 3.83Å; L20-I24 HydrophobicContact CD1-CG1 4.23Å; L20-I24 HydrophobicContact CG-CD1 4.07Å; L20-I24 WeakPolarHBondContact O-CG1 3.44Å; L20-I24 PolarHBondContact O-N 3.17Å; L20-I24 VanDerWaalsContact O-N 3.17Å; L20-V41 HydrophobicContact CD1-CG1 4.22Å; L20-V41 HydrophobicContact CD2-CG1 4.44Å; L20-P44 HydrophobicContact CB-CG 4.21Å; L20-P44 HydrophobicContact CD2-CB 4.22Å; L20-P44 HydrophobicContact CD2-CG 3.82Å; L20-P44 HydrophobicContact CG-CG 3.92Å; L20-I1868 HydrophobicContact CB-CG2 4.08Å; L20-I1868 HydrophobicContact CD2-CD1 3.87Å; L20-I1868 HydrophobicContact CD2-CG2 4.01Å; L20-Q1871 HydrophobicContact CD1-CB 4.28Å; L20-Q1871 HydrophobicContact CD2-CB 3.74Å; L20-T1872 WeakPolarHBondContact CB-OG1 3.27Å; L20-V1875 HydrophobicContact CD1-CG2 4.02Å
21K79.6Confident72.8Confident37 Ų3761.2 Ų61.216%0.16131%0.314CS..Hα-helixtrans-58.2-49.5174.2-73.1-165.1178.5-171.40111.2I17 L18 Q23 I24 E25 V43 P44 D46I17-K21 WeakPolarHBondContact O-CG 3.21Å; I17-K21 PolarHBondContact O-N 3.27Å; L18-K21 PolarHBondContact O-N 3.31Å; K21-Q23 VanDerWaalsContact C-N 3.34Å; K21-Q23 PolarHBondContact O-N 3.49Å; K21-I24 PolarHBondContact O-N 3.44Å; K21-I24 VanDerWaalsContact O-N 3.09Å; K21-E25 WeakPolarHBondContact O-CB 3.45Å; K21-E25 WeakPolarHBondContact O-CG 3.48Å; K21-E25 PolarHBondContact O-N 2.84Å; K21-V43 HydrophobicContact CD-CG1 4.37Å; K21-V43 HydrophobicContact CG-CG1 4.08Å; K21-P44 WeakPolarHBondContact CE-O 3.34Å; K21-P44 HydrophobicContact CG-CG 3.77Å; K21-D46 IonicContact NZ-OD1 3.17Å; K21-D46 PolarHBondContact NZ-OD1 2.84Å
22A79.1Confident70.8Confident47 Ų4761 Ų6139%0.38833%0.328SS..Hα-helixtrans-58.8-42.9179.500000112.2L18 D19 I24 E25 E26L18-A22 WeakPolarHBondContact O-CB 3.5Å; L18-A22 PolarHBondContact O-N 2.78Å; D19-A22 PolarHBondContact O-N 2.68Å; A22-I24 VanDerWaalsContact C-N 3.29Å; A22-I24 PolarHBondContact O-N 2.9Å; A22-E25 PolarHBondContact O-N 2.93Å; A22-E26 WeakPolarHBondContact O-CB 3.46Å; A22-E26 PolarHBondContact O-N 2.75Å
23Q75.2Confident68.6Low44 Ų4465.9 Ų65.921%0.20635%0.349CS..Hα-helixtrans-65.1-29.2177-70.3-66.7-18.400113.4D19 L20 K21 T1872 V1875 I1876D19-Q23 VanDerWaalsContact O-CG 3.29Å; D19-Q23 WeakPolarHBondContact O-CG 3.43Å; D19-Q23 PolarHBondContact O-N 3.48Å; L20-Q23 PolarHBondContact O-N 2.91Å; K21-Q23 VanDerWaalsContact C-N 3.34Å; K21-Q23 PolarHBondContact O-N 3.49Å; Q23-T1872 HydrophobicContact CG-CG2 4.24Å; Q23-V1875 HydrophobicContact CB-CG1 3.91Å; Q23-I1876 HydrophobicContact CG-CD1 4.18Å; Q23-I1876 HydrophobicContact CG-CG1 3.94Å
24I69.9Low66.5Low14 Ų1470.5 Ų70.57%0.07238%0.379CS..Hα-helixtrans-80.8-45.7175.7-62.1166.1000110.9L20 K21 A22 N27 E28 V41 V43 V1875L20-I24 HydrophobicContact CD1-CD1 3.83Å; L20-I24 HydrophobicContact CD1-CG1 4.23Å; L20-I24 HydrophobicContact CG-CD1 4.07Å; L20-I24 WeakPolarHBondContact O-CG1 3.44Å; L20-I24 PolarHBondContact O-N 3.17Å; L20-I24 VanDerWaalsContact O-N 3.17Å; K21-I24 PolarHBondContact O-N 3.44Å; K21-I24 VanDerWaalsContact O-N 3.09Å; A22-I24 VanDerWaalsContact C-N 3.29Å; A22-I24 PolarHBondContact O-N 2.9Å; I24-N27 WeakPolarHBondContact O-CB 3.27Å; I24-N27 PolarHBondContact O-N 3.01Å; I24-E28 PolarHBondContact O-N 2.77Å; I24-V41 HydrophobicContact CD1-CG1 4.25Å; I24-V43 HydrophobicContact CB-CG2 4.46Å; I24-V43 HydrophobicContact CD1-CG2 4.46Å; I24-V43 HydrophobicContact CG2-CG2 3.74Å; I24-V1875 HydrophobicContact CD1-CG2 4.34Å; I24-V1875 HydrophobicContact CG1-CG1 3.98Å; I24-V1875 HydrophobicContact CG1-CG2 3.86Å
25E69.1Low64.5Low102 Ų10266.5 Ų66.548%0.47737%0.373SS..Hα-helixtrans-66.2-38.6-180-70.5172.1-159.800112K21 A22 N27 E28 L29K21-E25 WeakPolarHBondContact O-CB 3.45Å; K21-E25 WeakPolarHBondContact O-CG 3.48Å; K21-E25 PolarHBondContact O-N 2.84Å; A22-E25 PolarHBondContact O-N 2.93Å; E25-N27 VanDerWaalsContact C-N 3.26Å; E25-N27 PolarHBondContact O-N 3.43Å; E25-E28 PolarHBondContact O-N 2.92Å; E25-L29 PolarHBondContact O-N 3.09Å; E25-L29 VanDerWaalsContact O-N 3.07Å
26E64.4Low62.2Low80 Ų8073.3 Ų73.337%0.37439%0.394SS..Hα-helixtrans-66.7-29174.4-161.3-178.517100111.8A22 L29 I30 R1879A22-E26 WeakPolarHBondContact O-CB 3.46Å; A22-E26 PolarHBondContact O-N 2.75Å; E26-L29 PolarHBondContact O-N 3.41Å; E26-I30 HydrophobicContact CG-CD1 3.94Å; E26-I30 HydrophobicContact CG-CG1 4.43Å; E26-I30 WeakPolarHBondContact O-CB 3.2Å; E26-I30 VanDerWaalsContact O-CG1 3.32Å; E26-I30 WeakPolarHBondContact O-CG1 3.47Å; E26-I30 PolarHBondContact O-N 2.96Å; E26-R1879 VanDerWaalsContact CD-CZ 3.49Å; E26-R1879 VanDerWaalsContact CD-NH1 3.25Å; E26-R1879 IonicContact OE1-CZ 3.89Å; E26-R1879 IonicContact OE1-NH1 2.65Å; E26-R1879 IonicContact OE1-NH2 2.69Å; E26-R1879 PolarHBondContact OE1-NH2 3.32Å; E26-R1879 IonicContact OE2-CZ 2.63Å; E26-R1879 IonicContact OE2-NH1 2.61Å; E26-R1879 PolarHBondContact OE2-NH1 2.75Å; E26-R1879 IonicContact OE2-NH2 2.8Å; E26-R1879 PolarHBondContact OE2-NH2 2.81Å
27N56Low60.2Low35 Ų3575.4 Ų75.419%0.18742%0.422CS..Hα-helixtrans-66.5-40.2172.4-121.72.3000111.8I24 E25 L29 H31I24-N27 WeakPolarHBondContact O-CB 3.27Å; I24-N27 PolarHBondContact O-N 3.01Å; E25-N27 VanDerWaalsContact C-N 3.26Å; E25-N27 PolarHBondContact O-N 3.43Å; N27-L29 VanDerWaalsContact C-N 3.32Å; N27-H31 PolarHBondContact O-N 3.21Å; N27-H31 VanDerWaalsContact O-N 3.16Å
28E51.4Low58Low74 Ų7483.8 Ų83.835%0.34646%0.463SS..Hα-helixtrans-63.6-39.6172-60.7-159.6135.300111.3I24 E25 G32 S35I24-E28 PolarHBondContact O-N 2.77Å; E25-E28 PolarHBondContact O-N 2.92Å; E28-G32 WeakPolarHBondContact O-CA 3.05Å; E28-G32 PolarHBondContact O-N 3.03Å; E28-S35 WeakPolarHBondContact OE1-CB 3.35Å; E28-S35 PolarHBondContact OE1-N 2.77Å; E28-S35 PolarHBondContact OE1-OG 3.32Å
29L51.5Low56.2Low151 Ų15181.6 Ų81.679%0.79146%0.462SS*.Hα-helixtrans-70.3-36.9-177.6-120.9160.6000113.6E25 E26 N27E25-L29 PolarHBondContact O-N 3.09Å; E25-L29 VanDerWaalsContact O-N 3.07Å; E26-L29 PolarHBondContact O-N 3.41Å; N27-L29 VanDerWaalsContact C-N 3.32Å
30I48.4Very low54.8Low93 Ų9380.5 Ų80.548%0.47746%0.461SS..Hα-helixtrans-80.1-41.5180-68.9170000111.7E26E26-I30 HydrophobicContact CG-CD1 3.94Å; E26-I30 HydrophobicContact CG-CG1 4.43Å; E26-I30 WeakPolarHBondContact O-CB 3.2Å; E26-I30 VanDerWaalsContact O-CG1 3.32Å; E26-I30 WeakPolarHBondContact O-CG1 3.47Å; E26-I30 PolarHBondContact O-N 2.96Å
31H49.1Very low53.6Low109 Ų10981.1 Ų81.151%0.50547%0.465SS..Hα-helixtrans-101.6-15.8-171.7-63.2-66.1000114.6N27 I33N27-H31 PolarHBondContact O-N 3.21Å; N27-H31 VanDerWaalsContact O-N 3.16Å; H31-I33 PolarHBondContact O-N 3.34Å; H31-I33 VanDerWaalsContact O-N 3.14Å
32G42.3Very low52.7Low63 Ų6384.6 Ų84.665%0.64948%0.478SS*.  trans67.98.6177.500000115.2E28E28-G32 WeakPolarHBondContact O-CA 3.05Å; E28-G32 PolarHBondContact O-N 3.03Å
33I38.8Very low51.9Low116 Ų11685.6 Ų85.660%0.59548%0.479SS*.  trans-92.3114.4178.1-59170.9000108H31 S35H31-I33 PolarHBondContact O-N 3.34Å; H31-I33 VanDerWaalsContact O-N 3.14Å; I33-S35 PolarHBondContact O-N 3.38Å
34P38.7Very low51.6Low100 Ų10084.1 Ų84.165%0.64947%0.473SS*.  trans-66129.6179.826-33.3000110.8K36P34-K36 PolarHBondContact O-N 3.49Å
35S42.1Very low51.6Low55 Ų5587 Ų8739%0.38549%0.485SS..SBendtrans-59.3-1.9-164.753.60000118.1E28 I33 G37E28-S35 WeakPolarHBondContact OE1-CB 3.35Å; E28-S35 PolarHBondContact OE1-N 2.77Å; E28-S35 PolarHBondContact OE1-OG 3.32Å; I33-S35 PolarHBondContact O-N 3.38Å; S35-G37 PolarHBondContact O-N 3.34Å
36K37.4Very low51.6Low211 Ų21186.3 Ų86.392%0.91749%0.485SS*.THydrogen-bonded Turntrans-67.411.1-175.4-76.8-170.9174.5179.10116.1P34P34-K36 PolarHBondContact O-N 3.49Å
37G41.3Very low52.1Low68 Ų6884 Ų8470%0.70148%0.477SS*.THydrogen-bonded Turntrans-142-30.2-171.500000119.6S35S35-G37 PolarHBondContact O-N 3.34Å
38M36Very low53.1Low176 Ų17688.7 Ų88.787%0.86750%0.498SS*.THydrogen-bonded Turntrans-141.5-7.5-164.4-78.3-170.5169.700118.9
39G47.3Very low54.1Low42 Ų4286.3 Ų86.343%0.43349%0.487SS..  trans-71.6133.1169.600000110.6V41G39-V41 PolarHBondContact O-N 2.93Å
40S52.9Low55.2Low73 Ų7379.6 Ų79.651%0.5145%0.451SS..SBendtrans-72.2-15176.163.50000113.4E1878S40-E1878 WeakPolarHBondContact CB-OE1 3.47Å; S40-E1878 PolarHBondContact N-OE2 3.16Å; S40-E1878 PolarHBondContact OG-OE1 3.32Å
41V55.3Low56.5Low13 Ų1376.1 Ų76.18%0.07944%0.435CS..SBendtrans-119.8135.2179.9177.10000109.5L20 I24 G39 Q1871 L1874 V1875L20-V41 HydrophobicContact CD1-CG1 4.22Å; L20-V41 HydrophobicContact CD2-CG1 4.44Å; I24-V41 HydrophobicContact CD1-CG1 4.25Å; G39-V41 PolarHBondContact O-N 2.93Å; V41-Q1871 HydrophobicContact CG1-CB 3.76Å; V41-Q1871 HydrophobicContact CG1-CG 3.83Å; V41-Q1871 HydrophobicContact CG2-CB 4.16Å; V41-Q1871 HydrophobicContact CG2-CG 4.04Å; V41-L1874 HydrophobicContact CG2-CB 4.04Å; V41-L1874 HydrophobicContact CG2-CD1 4.18Å; V41-V1875 HydrophobicContact CB-CG2 3.75Å; V41-V1875 HydrophobicContact CG1-CG2 4.13Å; V41-V1875 HydrophobicContact CG2-CG2 4.12Å
42Y59.9Low57.6Low111 Ų11174.6 Ų74.644%0.43543%0.425SS..PPolyproline II helixtrans-87.2155.6174.3-70.3-70.3000111.9
43V64Low59Low68 Ų6873.4 Ų73.441%0.41240%0.402SS..PPolyproline II helixtrans-56.9121.6172.5-178.30000109.5K21 I24K21-V43 HydrophobicContact CD-CG1 4.37Å; K21-V43 HydrophobicContact CG-CG1 4.08Å; I24-V43 HydrophobicContact CB-CG2 4.46Å; I24-V43 HydrophobicContact CD1-CG2 4.46Å; I24-V43 HydrophobicContact CG2-CG2 3.74Å
44P67.2Low60.8Low12 Ų1268.1 Ų68.18%0.07838%0.375CS..PPolyproline II helixtrans-68.2152.5-177.529.5-38.3000111.7I17 L20 K21 I1868I17-P44 HydrophobicContact CG2-CB 4.35Å; I17-P44 HydrophobicContact CG2-CG 4.06Å; L20-P44 HydrophobicContact CB-CG 4.21Å; L20-P44 HydrophobicContact CD2-CB 4.22Å; L20-P44 HydrophobicContact CD2-CG 3.82Å; L20-P44 HydrophobicContact CG-CG 3.92Å; K21-P44 WeakPolarHBondContact CE-O 3.34Å; K21-P44 HydrophobicContact CG-CG 3.77Å; P44-I1868 HydrophobicContact CB-CD1 4.15Å
45K70.3Confident62.5Low75 Ų7566 Ų6633%0.32636%0.356SS..PPolyproline II helixtrans-67.4165173.6-72.4-75.1176.9169.90111.6H49 F50 E163K45-H49 HydrophobicContact CB-CB 4.2Å; K45-F50 HydrophobicContact CB-CE2 4.03Å; K45-F50 HydrophobicContact CB-CZ 4.06Å; K45-F50 VanDerWaalsContact O-CE2 3.32Å; K45-F50 WeakPolarHBondContact O-CE2 3.44Å; K45-E163 WeakPolarHBondContact CE-OE1 3.36Å; K45-E163 IonicContact NZ-OE1 2.69Å; K45-E163 PolarHBondContact NZ-OE1 3.01Å; K45-E163 IonicContact NZ-OE2 2.73Å; K45-E163 PolarHBondContact NZ-OE2 3.47Å
46D70.1Confident63.9Low87 Ų8765.1 Ų65.147%0.46535%0.349SS..PPolyproline II helixtrans-67.1147.6-177.7-62.6-43.2000112.2K21 E48 H49K21-D46 IonicContact NZ-OD1 3.17Å; K21-D46 PolarHBondContact NZ-OD1 2.84Å; D46-E48 PolarHBondContact O-N 3.04Å; D46-H49 VanDerWaalsContact O-CB 3.28Å; D46-H49 WeakPolarHBondContact O-CB 3.39Å; D46-H49 PolarHBondContact O-N 3.47Å
47P74.3Confident65.4Low32 Ų3255.2 Ų55.221%0.20831%0.306CS..Hα-helixtrans-53.3-31.8179.8-27.434.6000114R14 I17 H49 F50 S51R14-P47 HydrophobicContact CB-CB 4.48Å; R14-P47 HydrophobicContact CB-CG 4.31Å; R14-P47 HydrophobicContact CG-CG 4.09Å; I17-P47 HydrophobicContact CB-CG 4.42Å; I17-P47 HydrophobicContact CD1-CB 4.37Å; I17-P47 HydrophobicContact CD1-CG 4.13Å; I17-P47 HydrophobicContact CG2-CG 4.18Å; P47-H49 VanDerWaalsContact C-N 3.34Å; P47-H49 PolarHBondContact O-N 3.45Å; P47-F50 PolarHBondContact O-N 3.15Å; P47-S51 PolarHBondContact O-N 3.06Å
48E76.4Confident66.8Low134 Ų13452.3 Ų52.363%0.62627%0.274SS*.Hα-helixtrans-69-26.9177-61.7-178.8-174.400113.9D46 R52D46-E48 PolarHBondContact O-N 3.04Å; E48-R52 WeakPolarHBondContact O-CB 3.01Å; E48-R52 WeakPolarHBondContact O-CG 3.37Å; E48-R52 PolarHBondContact O-N 3.34Å; E48-R52 PolarHBondContact O-NE 3.13Å; E48-R52 VanDerWaalsContact O-NE 3.08Å
49H71.9Confident68.5Low24 Ų2445.8 Ų45.811%0.11124%0.242CC..Hα-helixtrans-67.6-52.6173.1175.698.9000109.5K45 D46 P47 S51 R52 E53K45-H49 HydrophobicContact CB-CB 4.2Å; D46-H49 VanDerWaalsContact O-CB 3.28Å; D46-H49 WeakPolarHBondContact O-CB 3.39Å; D46-H49 PolarHBondContact O-N 3.47Å; P47-H49 VanDerWaalsContact C-N 3.34Å; P47-H49 PolarHBondContact O-N 3.45Å; H49-S51 VanDerWaalsContact C-N 3.3Å; H49-S51 PolarHBondContact O-N 3.21Å; H49-R52 PolarHBondContact O-N 2.77Å; H49-R52 VanDerWaalsContact O-N 3.14Å; H49-E53 PolarHBondContact O-N 3.4Å
50F74.7Confident69.7Low10 Ų1045 Ų454%0.04423%0.227CC..Hα-helixtrans-62.8-34.3177.4-61.9-66.1000112.7I17 K45 P47 E53 R54 L1864I17-F50 HydrophobicContact CD1-CD2 3.79Å; I17-F50 HydrophobicContact CD1-CE2 3.96Å; K45-F50 HydrophobicContact CB-CE2 4.03Å; K45-F50 HydrophobicContact CB-CZ 4.06Å; K45-F50 VanDerWaalsContact O-CE2 3.32Å; K45-F50 WeakPolarHBondContact O-CE2 3.44Å; P47-F50 PolarHBondContact O-N 3.15Å; F50-E53 PolarHBondContact O-N 3.32Å; F50-R54 WeakPolarHBondContact O-CB 3.49Å; F50-R54 WeakPolarHBondContact O-CG 3.34Å; F50-R54 PolarHBondContact O-N 3.02Å; F50-R54 PolarHBondContact O-NH1 3.46Å; F50-L1864 HydrophobicContact CB-CD1 3.88Å; F50-L1864 HydrophobicContact CD1-CD1 3.78Å; F50-L1864 HydrophobicContact CE1-CD1 4.43Å; F50-L1864 HydrophobicContact CG-CD1 3.88Å
51S75.8Confident70.4Confident19 Ų1941.7 Ų41.713%0.13320%0.203CC..Hα-helixtrans-66-44172.9-169.60000111.7E10 P47 H49 E53 R54 K55E10-S51 PolarHBondContact OE1-OG 3.12Å; P47-S51 PolarHBondContact O-N 3.06Å; H49-S51 VanDerWaalsContact C-N 3.3Å; H49-S51 PolarHBondContact O-N 3.21Å; S51-E53 PolarHBondContact O-N 2.97Å; S51-R54 PolarHBondContact O-N 3.05Å; S51-K55 WeakPolarHBondContact O-CB 3.33Å; S51-K55 WeakPolarHBondContact O-CG 3.27Å; S51-K55 PolarHBondContact O-N 3.25Å
52R73.8Confident71.4Confident78 Ų7842.1 Ų42.129%0.29420%0.204SC..Hα-helixtrans-61.4-40.6173.3-81.6177.2-82155.4-14.6112.7E48 H49 K55 C56E48-R52 WeakPolarHBondContact O-CB 3.01Å; E48-R52 WeakPolarHBondContact O-CG 3.37Å; E48-R52 PolarHBondContact O-N 3.34Å; E48-R52 PolarHBondContact O-NE 3.13Å; E48-R52 VanDerWaalsContact O-NE 3.08Å; H49-R52 PolarHBondContact O-N 2.77Å; H49-R52 VanDerWaalsContact O-N 3.14Å; R52-K55 PolarHBondContact O-N 2.91Å; R52-C56 WeakPolarHBondContact O-CB 3.03Å; R52-C56 PolarHBondContact O-N 2.81Å
53E70.2Confident72.1Confident38 Ų3838.4 Ų38.418%0.17819%0.191CC..Hα-helixtrans-67.4-44.4176.8-165.3-178-175.600111.8H49 F50 S51 K55 C56 A57 Y708 L709H49-E53 PolarHBondContact O-N 3.4Å; F50-E53 PolarHBondContact O-N 3.32Å; S51-E53 PolarHBondContact O-N 2.97Å; E53-K55 PolarHBondContact O-N 2.85Å; E53-C56 WeakPolarHBondContact O-CB 3.43Å; E53-C56 PolarHBondContact O-N 2.67Å; E53-A57 WeakPolarHBondContact O-CB 3.16Å; E53-A57 PolarHBondContact O-N 2.73Å; E53-Y708 WeakPolarHBondContact OE1-CE2 3.44Å; E53-L709 HydrophobicContact CB-CD2 3.87Å; E53-L709 HydrophobicContact CG-CD1 4.44Å; E53-L709 HydrophobicContact CG-CD2 3.73Å; E53-L709 HydrophobicContact CG-CG 3.87Å
54R78.2Confident72.9Confident4 Ų435.3 Ų35.32%0.01517%0.173CC..Hα-helixtrans-57-45.6171.8-76.3-168.1-57.4-82.66.5112E10 F50 S51 C56 A57 L58 L709 M1860E10-R54 IonicContact OE1-CZ 3.73Å; E10-R54 IonicContact OE1-NH2 3.21Å; E10-R54 PolarHBondContact OE1-NH2 3.42Å; F50-R54 WeakPolarHBondContact O-CB 3.49Å; F50-R54 WeakPolarHBondContact O-CG 3.34Å; F50-R54 PolarHBondContact O-N 3.02Å; F50-R54 PolarHBondContact O-NH1 3.46Å; S51-R54 PolarHBondContact O-N 3.05Å; R54-C56 VanDerWaalsContact C-N 3.34Å; R54-C56 PolarHBondContact O-N 3.42Å; R54-A57 PolarHBondContact O-N 2.78Å; R54-L58 WeakPolarHBondContact O-CB 3.24Å; R54-L58 WeakPolarHBondContact O-CG 3.45Å; R54-L58 PolarHBondContact O-N 3.42Å; R54-L709 HydrophobicContact CG-CD2 3.98Å; R54-M1860 HydrophobicContact CB-CE 4.35Å; R54-M1860 HydrophobicContact CG-CB 4.46Å; R54-M1860 HydrophobicContact CG-CE 4.22Å; R54-M1860 HydrophobicContact CG-SD 4.34Å
55K73.8Confident73.6Confident57 Ų5735.2 Ų35.225%0.24817%0.171CC..Hα-helixtrans-59.4-42.9176-74.2177.2-176.4-178.50111.7S51 R52 E53 H59 D1697S51-K55 WeakPolarHBondContact O-CB 3.33Å; S51-K55 WeakPolarHBondContact O-CG 3.27Å; S51-K55 PolarHBondContact O-N 3.25Å; R52-K55 PolarHBondContact O-N 2.91Å; E53-K55 PolarHBondContact O-N 2.85Å; K55-H59 WeakPolarHBondContact O-CB 3.5Å; K55-H59 PolarHBondContact O-N 3.29Å; K55-D1697 PolarHBondContact NZ-O 3.43Å; K55-D1697 IonicContact NZ-OD1 3.64Å; K55-D1697 PolarHBondContact NZ-OD1 2.89Å
56C70.4Confident74.2Confident36 Ų3633.9 Ų33.924%0.24317%0.166CC..Hα-helixtrans-64-47.7176.5-172.30000112.1R52 E53 R54 L58 H59 K60 L166R52-C56 WeakPolarHBondContact O-CB 3.03Å; R52-C56 PolarHBondContact O-N 2.81Å; E53-C56 WeakPolarHBondContact O-CB 3.43Å; E53-C56 PolarHBondContact O-N 2.67Å; R54-C56 VanDerWaalsContact C-N 3.34Å; R54-C56 PolarHBondContact O-N 3.42Å; C56-L58 PolarHBondContact O-N 2.78Å; C56-H59 PolarHBondContact O-N 3Å; C56-K60 WeakPolarHBondContact O-CG 3.25Å; C56-K60 PolarHBondContact O-N 3.4Å; C56-L166 HydrophobicContact CB-CD2 4.47Å
57A69.6Low74.9Confident3 Ų330.1 Ų30.13%0.02515%0.147CC..Hα-helixtrans-57.5-47.4175.200000112.2E53 R54 K60 S61 H706 L709E53-A57 WeakPolarHBondContact O-CB 3.16Å; E53-A57 PolarHBondContact O-N 2.73Å; R54-A57 PolarHBondContact O-N 2.78Å; A57-K60 PolarHBondContact O-N 3.49Å; A57-S61 WeakPolarHBondContact O-CB 3.32Å; A57-S61 PolarHBondContact O-N 3.34Å; A57-H706 WeakPolarHBondContact CB-NE2 3.33Å; A57-L709 HydrophobicContact CB-CD1 3.59Å
58L71.7Confident75.3Confident6 Ų630 Ų303%0.03114%0.143CC..Hα-helixtrans-63.2-42.5176.5-70.8174000111.9R54 C56 S61 M62 M1699 I1853 E1857 M1860R54-L58 WeakPolarHBondContact O-CB 3.24Å; R54-L58 WeakPolarHBondContact O-CG 3.45Å; R54-L58 PolarHBondContact O-N 3.42Å; C56-L58 PolarHBondContact O-N 2.78Å; L58-S61 PolarHBondContact O-N 3.12Å; L58-S61 PolarHBondContact O-OG 3.06Å; L58-M62 WeakPolarHBondContact O-CG 3.42Å; L58-M62 PolarHBondContact O-N 2.98Å; L58-M62 VanDerWaalsContact O-N 3.1Å; L58-M1699 HydrophobicContact CB-CE 4.4Å; L58-I1853 HydrophobicContact CD1-CG2 4.4Å; L58-I1853 HydrophobicContact CD2-CG2 4.4Å; L58-E1857 HydrophobicContact CD1-CB 4.38Å; L58-M1860 HydrophobicContact CD1-CE 4.04Å; L58-M1860 HydrophobicContact CD2-CE 3.77Å; L58-M1860 HydrophobicContact CG-CE 3.81Å
59H71.9Confident75.4Confident39 Ų3925.8 Ų25.818%0.18113%0.129CC..Hα-helixtrans-60-48.2175.9-170.2-81000111.9K55 C56 S61 M62 Q63 L1691K55-H59 WeakPolarHBondContact O-CB 3.5Å; K55-H59 PolarHBondContact O-N 3.29Å; C56-H59 PolarHBondContact O-N 3Å; H59-S61 VanDerWaalsContact C-N 3.35Å; H59-S61 PolarHBondContact O-N 3Å; H59-M62 WeakPolarHBondContact O-CB 3.4Å; H59-M62 PolarHBondContact O-N 3.3Å; H59-M62 VanDerWaalsContact O-N 3.13Å; H59-Q63 PolarHBondContact O-N 3.4Å; H59-L1691 PolarHBondContact NE2-O 2.96Å
60K70.9Confident75.6Confident27 Ų2726.3 Ų26.312%0.11714%0.135CC..Hα-helixtrans-61.6-40.9174.8-69.5-167.4178.7-143.20112.1C56 A57 M62 Q63 P1609 E1611C56-K60 WeakPolarHBondContact O-CG 3.25Å; C56-K60 PolarHBondContact O-N 3.4Å; A57-K60 PolarHBondContact O-N 3.49Å; K60-M62 PolarHBondContact O-N 3.09Å; K60-M62 VanDerWaalsContact O-N 3.17Å; K60-Q63 WeakPolarHBondContact O-CB 3.48Å; K60-Q63 PolarHBondContact O-N 2.78Å; K60-P1609 PolarHBondContact NZ-O 3.13Å; K60-E1611 WeakPolarHBondContact CD-OE1 3.35Å; K60-E1611 WeakPolarHBondContact CE-OE1 3.3Å; K60-E1611 IonicContact NZ-OE1 3.72Å; K60-E1611 PolarHBondContact NZ-OE1 3.23Å
61S68.9Low75.9Confident2 Ų227.6 Ų27.61%0.01414%0.141CC..Hα-helixtrans-61.4-24.9176.585.90000113.7A57 L58 H59 Q697A57-S61 WeakPolarHBondContact O-CB 3.32Å; A57-S61 PolarHBondContact O-N 3.34Å; L58-S61 PolarHBondContact O-N 3.12Å; L58-S61 PolarHBondContact O-OG 3.06Å; H59-S61 VanDerWaalsContact C-N 3.35Å; H59-S61 PolarHBondContact O-N 3Å; S61-Q697 VanDerWaalsContact CA-NE2 3.32Å; S61-Q697 WeakPolarHBondContact O-CG 3.24Å; S61-Q697 PolarHBondContact O-NE2 2.97Å
62M75.6Confident76.6Confident22 Ų2226.8 Ų26.811%0.10814%0.135CC..Hα-helixtrans-89.5-11.6178.2-77.1-72.4-8000113.8L58 H59 K60 V64 R1769 L1773 L1849 I1853L58-M62 WeakPolarHBondContact O-CG 3.42Å; L58-M62 PolarHBondContact O-N 2.98Å; L58-M62 VanDerWaalsContact O-N 3.1Å; H59-M62 WeakPolarHBondContact O-CB 3.4Å; H59-M62 PolarHBondContact O-N 3.3Å; H59-M62 VanDerWaalsContact O-N 3.13Å; K60-M62 PolarHBondContact O-N 3.09Å; K60-M62 VanDerWaalsContact O-N 3.17Å; M62-V64 PolarHBondContact O-N 3.18Å; M62-R1769 PolarHBondContact O-NE 2.83Å; M62-R1769 HydrophobicContact SD-CB 4.39Å; M62-R1769 HydrophobicContact SD-CG 4.24Å; M62-L1773 HydrophobicContact SD-CD1 4.29Å; M62-L1849 HydrophobicContact CE-CD1 4.21Å; M62-L1849 HydrophobicContact CE-CD2 3.84Å; M62-L1849 HydrophobicContact CE-CG 4.39Å; M62-L1849 HydrophobicContact SD-CD1 3.82Å; M62-I1853 HydrophobicContact CE-CD1 4.01Å; M62-I1853 HydrophobicContact CG-CD1 4.48Å; M62-I1853 HydrophobicContact SD-CD1 3.89Å
63Q74.9Confident77.3Confident34 Ų3424.1 Ų24.116%0.15913%0.126CC..  trans-79.195.2168.7-61.3-158.944.300109.4H59 K60 Q697 R698H59-Q63 PolarHBondContact O-N 3.4Å; K60-Q63 WeakPolarHBondContact O-CB 3.48Å; K60-Q63 PolarHBondContact O-N 2.78Å; Q63-Q697 WeakPolarHBondContact O-CA 3.39Å; Q63-R698 HydrophobicContact CB-CB 4Å; Q63-R698 WeakPolarHBondContact O-CB 3.46Å; Q63-R698 PolarHBondContact O-N 3.38Å
64V81Confident78.3Confident3 Ų322.3 Ų22.32%0.01812%0.117CC..BIsolated β-bridgetrans-85.4147.1170.3-67.90000111.4M62 N696 I1765 K1768 R1769M62-V64 PolarHBondContact O-N 3.18Å; V64-N696 CarbonylContact C-O 3.38Å; V64-N696 VanDerWaalsContact CA-O 3.25Å; V64-N696 WeakPolarHBondContact CA-O 3.21Å; V64-N696 HydrophobicContact CG1-CB 4.22Å; V64-I1765 HydrophobicContact CG2-CG2 4.07Å; V64-K1768 HydrophobicContact CB-CD 4.03Å; V64-K1768 HydrophobicContact CB-CG 4.14Å; V64-K1768 HydrophobicContact CG1-CG 4.18Å; V64-K1768 HydrophobicContact CG2-CB 4.48Å; V64-K1768 HydrophobicContact CG2-CD 4.2Å; V64-K1768 HydrophobicContact CG2-CG 4.37Å; V64-R1769 HydrophobicContact CG1-CB 4.36Å; V64-R1769 HydrophobicContact CG1-CG 3.67Å; V64-R1769 HydrophobicContact CG2-CG 4.04Å
65L81.5Confident78.9Confident9 Ų923.6 Ų23.65%0.04712%0.124CC..  trans-52.6138.7172.1-68.5164.9000110.4N696 R698 K1768L65-N696 PolarHBondContact N-O 3.11Å; L65-R698 HydrophobicContact CD2-CB 4.39Å; L65-R698 HydrophobicContact CD2-CG 4.24Å; L65-K1768 PolarHBondContact O-NZ 2.98Å
66Q82.9Confident79.7Confident47 Ų4721.2 Ų21.222%0.2211%0.114CC..  trans-123.3169172.6-59179.76.300109S1592 N1593Q66-S1592 CarbonylContact O-C 3.52Å; Q66-S1592 VanDerWaalsContact O-CA 3.29Å; Q66-S1592 WeakPolarHBondContact O-CA 3.22Å; Q66-N1593 PolarHBondContact N-OD1 2.87Å; Q66-N1593 VanDerWaalsContact N-OD1 3.1Å; Q66-N1593 PolarHBondContact O-N 3.32Å; Q66-N1593 PolarHBondContact O-OD1 3.4Å
67P85.5Confident80.7Confident9 Ų919.5 Ų19.56%0.05810%0.103CC..BIsolated β-bridgetrans-59.5149.8179.2-23.836000112.2S69 E1550 F1553 L1554P67-S69 PolarHBondContact O-N 2.79Å; P67-E1550 HydrophobicContact CG-CB 4.28Å; P67-E1550 HydrophobicContact CG-CG 4.44Å; P67-E1550 WeakPolarHBondContact CG-O 3.48Å; P67-F1553 HydrophobicContact CB-CB 3.84Å; P67-F1553 HydrophobicContact CB-CD2 4.22Å; P67-F1553 HydrophobicContact CB-CG 4.31Å; P67-F1553 HydrophobicContact CG-CB 3.58Å; P67-L1554 HydrophobicContact CG-CD2 4.44Å; P67-L1554 HydrophobicContact CG-CG 3.94Å
68Q82.3Confident81.8Confident28 Ų2821.4 Ų21.413%0.13111%0.114CC..PPolyproline II helixtrans-58.5131.1174.7-162.9-172.423.100110.3R1549 L1591 S1592 S1639Q68-R1549 VanDerWaalsContact O-CZ 3.29Å; Q68-R1549 PolarHBondContact O-NH1 3.12Å; Q68-R1549 PolarHBondContact O-NH2 3.3Å; Q68-L1591 PolarHBondContact N-O 3.29Å; Q68-S1592 WeakPolarHBondContact CB-O 3.45Å; Q68-S1639 PolarHBondContact NE2-OG 3.48Å; Q68-S1639 PolarHBondContact OE1-OG 3.28Å
69S78.1Confident82.7Confident47 Ų4725.5 Ų25.533%0.32913%0.129SC..PPolyproline II helixtrans-73.6146.5177.743.50000112.6P67 F71P67-S69 PolarHBondContact O-N 2.79Å; S69-F71 VanDerWaalsContact C-N 3.31Å; S69-F71 VanDerWaalsContact O-CD2 3.28Å; S69-F71 WeakPolarHBondContact O-CD2 3.41Å; S69-F71 PolarHBondContact O-N 2.78Å; S69-F71 WeakPolarHBondContact OG-CE2 3.5Å; S69-F71 WeakPolarHBondContact OG-CZ 3.34Å
70S77.1Confident83.7Confident35 Ų3524.5 Ų24.525%0.24512%0.124CC..  trans-74.673.6-179.7-63.90000112.7
71F80.7Confident84.8Confident37 Ų3723.4 Ų23.416%0.16212%0.12CC..  trans-64.3137.3175-59.7-71.3000112S69 L76 Q1324 Y1629 Y1630S69-F71 VanDerWaalsContact C-N 3.31Å; S69-F71 VanDerWaalsContact O-CD2 3.28Å; S69-F71 WeakPolarHBondContact O-CD2 3.41Å; S69-F71 PolarHBondContact O-N 2.78Å; S69-F71 WeakPolarHBondContact OG-CE2 3.5Å; S69-F71 WeakPolarHBondContact OG-CZ 3.34Å; F71-L76 HydrophobicContact CB-CD1 4.35Å; F71-Q1324 PolarHBondContact O-NE2 3.36Å; F71-Y1629 HydrophobicContact CE1-CE1 4.39Å; F71-Y1629 AromaticContact CZ-CE1 3.82Å; F71-Y1629 HydrophobicContact CZ-CE1 3.82Å; F71-Y1630 HydrophobicContact CD1-CE1 4.23Å; F71-Y1630 HydrophobicContact CE1-CD1 4.29Å; F71-Y1630 AromaticContact CE1-CE1 3.82Å; F71-Y1630 HydrophobicContact CE1-CE1 3.82Å; F71-Y1630 HydrophobicContact CZ-CD1 4.31Å; F71-Y1630 HydrophobicContact CZ-CE1 4.16Å
72L88.9Confident85.9Confident2 Ų225.7 Ų25.71%0.0113%0.132CC..  trans-97.3143.1169.9-58.8178.6000110A74 D75 L76 L1321 R1416 A1419 R1420L72-A74 PolarHBondContact O-N 3.4Å; L72-D75 HydrophobicContact CB-CB 4.26Å; L72-D75 PolarHBondContact O-N 2.79Å; L72-L76 PolarHBondContact O-N 2.96Å; L72-L1321 HydrophobicContact CB-CD2 4.39Å; L72-L1321 HydrophobicContact CD1-CD2 4.07Å; L72-R1416 HydrophobicContact CD1-CB 4.43Å; L72-R1416 HydrophobicContact CD1-CG 3.69Å; L72-A1419 HydrophobicContact CD1-CB 4.44Å; L72-A1419 HydrophobicContact CD2-CB 3.79Å; L72-R1420 HydrophobicContact CD1-CG 4.25Å
73Q89Confident86.6Confident22 Ų2224.9 Ų24.910%0.10313%0.129CC..Hα-helixtrans-64.4-41.5-178-176-172.953.700111.6D75 L76 M77 S1320 Q1635Q73-D75 VanDerWaalsContact C-N 3.31Å; Q73-D75 PolarHBondContact O-N 2.78Å; Q73-L76 CarbonylContact O-C 3.56Å; Q73-L76 WeakPolarHBondContact O-CA 3.22Å; Q73-L76 WeakPolarHBondContact O-CB 3.41Å; Q73-L76 PolarHBondContact O-N 2.68Å; Q73-M77 HydrophobicContact CG-CE 4.02Å; Q73-M77 HydrophobicContact CG-SD 4.49Å; Q73-M77 WeakPolarHBondContact O-CG 3.26Å; Q73-M77 PolarHBondContact O-N 2.83Å; Q73-S1320 WeakPolarHBondContact CB-OG 3.38Å; Q73-S1320 WeakPolarHBondContact CG-OG 3.35Å; Q73-S1320 PolarHBondContact OE1-OG 2.88Å; Q73-Q1635 PolarHBondContact NE2-O 3.16Å
74A90.9Very high87.3Confident0 Ų023.3 Ų23.30%012%0.122CC..Hα-helixtrans-54.8-43.9172.500000113L72 L76 M77 V78 Q1317 S1320 L1321L72-A74 PolarHBondContact O-N 3.4Å; A74-L76 PolarHBondContact O-N 2.95Å; A74-M77 PolarHBondContact O-N 2.92Å; A74-V78 WeakPolarHBondContact O-CG2 3.24Å; A74-V78 PolarHBondContact O-N 3.5Å; A74-Q1317 HydrophobicContact CB-CB 3.85Å; A74-Q1317 HydrophobicContact CB-CG 3.81Å; A74-S1320 PolarHBondContact N-OG 3.27Å; A74-L1321 HydrophobicContact CB-CD1 4.25Å; A74-L1321 HydrophobicContact CB-CD2 3.91Å; A74-L1321 HydrophobicContact CB-CG 3.74Å
75D91.1Very high87.7Confident30 Ų3025.7 Ų25.716%0.1614%0.138CC..Hα-helixtrans-69.4-17179.1-60.4-3.6000112.6L72 Q73 R79 R1416L72-D75 HydrophobicContact CB-CB 4.26Å; L72-D75 PolarHBondContact O-N 2.79Å; Q73-D75 VanDerWaalsContact C-N 3.31Å; Q73-D75 PolarHBondContact O-N 2.78Å; D75-R79 WeakPolarHBondContact O-CG 3.49Å; D75-R79 PolarHBondContact O-NE 3.06Å; D75-R1416 IonicContact OD1-CZ 3.32Å; D75-R1416 VanDerWaalsContact OD1-CZ 3.24Å; D75-R1416 IonicContact OD1-NE 2.81Å; D75-R1416 PolarHBondContact OD1-NE 2.76Å; D75-R1416 IonicContact OD1-NH2 2.73Å; D75-R1416 PolarHBondContact OD1-NH2 3.36Å; D75-R1416 IonicContact OD2-NE 3.3Å
76L90.3Very high88.1Confident8 Ų831 Ų314%0.04216%0.158CC..Hα-helixtrans-90.2-32.8171.7-65177000112.1F71 L72 Q73 A74 R79 E80 Y1630 Q1635F71-L76 HydrophobicContact CB-CD1 4.35Å; L72-L76 PolarHBondContact O-N 2.96Å; Q73-L76 CarbonylContact O-C 3.56Å; Q73-L76 WeakPolarHBondContact O-CA 3.22Å; Q73-L76 WeakPolarHBondContact O-CB 3.41Å; Q73-L76 PolarHBondContact O-N 2.68Å; A74-L76 PolarHBondContact O-N 2.95Å; L76-R79 PolarHBondContact O-N 3.29Å; L76-E80 PolarHBondContact O-N 3.06Å; L76-Y1630 HydrophobicContact CD2-CD1 3.39Å; L76-Y1630 HydrophobicContact CD2-CD2 4.3Å; L76-Y1630 HydrophobicContact CD2-CE1 3.43Å; L76-Y1630 VanDerWaalsContact CD2-CE1 3.43Å; L76-Y1630 HydrophobicContact CD2-CE2 4.36Å; L76-Y1630 HydrophobicContact CD2-CG 3.86Å; L76-Q1635 VanDerWaalsContact C-NE2 3.32Å; L76-Q1635 PolarHBondContact O-NE2 3.27Å
77M92.8Very high88.5Confident0 Ų031.8 Ų31.80%016%0.159CC..Hα-helixtrans-64.6-39.4173.2-71.5178.3166.500111.8Q73 A74 E80 L81 N1189 I1192 A1193 V1316 Q1635Q73-M77 HydrophobicContact CG-CE 4.02Å; Q73-M77 HydrophobicContact CG-SD 4.49Å; Q73-M77 WeakPolarHBondContact O-CG 3.26Å; Q73-M77 PolarHBondContact O-N 2.83Å; A74-M77 PolarHBondContact O-N 2.92Å; M77-E80 PolarHBondContact O-N 2.82Å; M77-L81 PolarHBondContact O-N 3.48Å; M77-L81 VanDerWaalsContact O-N 3.1Å; M77-N1189 HydrophobicContact CB-CB 4.34Å; M77-N1189 HydrophobicContact CE-CB 4.11Å; M77-N1189 WeakPolarHBondContact CE-O 3.4Å; M77-N1189 HydrophobicContact CG-CB 3.98Å; M77-N1189 HydrophobicContact SD-CB 3.97Å; M77-I1192 HydrophobicContact CE-CB 3.97Å; M77-I1192 HydrophobicContact CE-CG2 3.61Å; M77-A1193 HydrophobicContact CE-CB 4.39Å; M77-V1316 HydrophobicContact SD-CG1 3.82Å; M77-Q1635 HydrophobicContact CG-CG 4.34Å
78V92.9Very high88.8Confident43 Ų4331.4 Ų31.426%0.26116%0.156SC..Hα-helixtrans-63.9-45.9172.6175.70000111A74 E80 L81 D82 Q1317A74-V78 WeakPolarHBondContact O-CG2 3.24Å; A74-V78 PolarHBondContact O-N 3.5Å; V78-E80 VanDerWaalsContact C-N 3.33Å; V78-E80 PolarHBondContact O-N 3.16Å; V78-L81 WeakPolarHBondContact O-CA 3.47Å; V78-L81 WeakPolarHBondContact O-CB 3.39Å; V78-L81 PolarHBondContact O-N 2.77Å; V78-L81 VanDerWaalsContact O-N 3.08Å; V78-D82 PolarHBondContact O-N 3.44Å; V78-Q1317 VanDerWaalsContact CG2-CD 3.5Å; V78-Q1317 HydrophobicContact CG2-CG 4.12Å
79R90.3Very high89.3Confident92 Ų9230.1 Ų30.135%0.34715%0.15SC..Hα-helixtrans-61.8-36.2177.5-76.3177.4-120.4-148.6-12.9113.5D75 L76 A83 Y1630D75-R79 WeakPolarHBondContact O-CG 3.49Å; D75-R79 PolarHBondContact O-NE 3.06Å; L76-R79 PolarHBondContact O-N 3.29Å; R79-A83 VanDerWaalsContact O-CB 3.28Å; R79-A83 WeakPolarHBondContact O-CB 3.4Å; R79-A83 PolarHBondContact O-N 3.15Å; R79-Y1630 WeakPolarHBondContact CD-OH 3.37Å; R79-Y1630 PolarHBondContact NH1-OH 3.2Å
80E92.5Very high89.9Confident17 Ų1729.5 Ų29.58%0.07915%0.145CC..Hα-helixtrans-68-37174-168.4-176.7-168.400111.6L76 M77 V78 A83 S84 T1185 K1188 N1189 M1626 L1634 Q1635L76-E80 PolarHBondContact O-N 3.06Å; M77-E80 PolarHBondContact O-N 2.82Å; V78-E80 VanDerWaalsContact C-N 3.33Å; V78-E80 PolarHBondContact O-N 3.16Å; E80-A83 PolarHBondContact O-N 3.18Å; E80-S84 WeakPolarHBondContact O-CB 3.33Å; E80-S84 PolarHBondContact O-N 3.47Å; E80-T1185 HydrophobicContact CB-CG2 4.44Å; E80-T1185 HydrophobicContact CG-CG2 3.75Å; E80-K1188 IonicContact OE1-NZ 3.67Å; E80-K1188 PolarHBondContact OE1-NZ 2.9Å; E80-K1188 IonicContact OE2-NZ 2.73Å; E80-N1189 PolarHBondContact OE2-ND2 3.48Å; E80-N1189 PolarHBondContact OE2-OD1 3.28Å; E80-M1626 VanDerWaalsContact CA-SD 3.58Å; E80-M1626 HydrophobicContact CB-CE 4.49Å; E80-M1626 HydrophobicContact CB-SD 3.91Å; E80-M1626 HydrophobicContact CG-CE 4.06Å; E80-M1626 HydrophobicContact CG-SD 4.13Å; E80-L1634 HydrophobicContact CB-CD2 4.39Å; E80-L1634 HydrophobicContact CG-CD2 3.85Å; E80-Q1635 PolarHBondContact OE2-NE2 2.89Å
81L93.4Very high90.4Very high4 Ų430.7 Ų30.72%0.02115%0.146CC..Hα-helixtrans-64.7-46.8173.9-159.570.7000111.3M77 V78 A83 S84 S85 Q1182 V1186 C1313M77-L81 PolarHBondContact O-N 3.48Å; M77-L81 VanDerWaalsContact O-N 3.1Å; V78-L81 WeakPolarHBondContact O-CA 3.47Å; V78-L81 WeakPolarHBondContact O-CB 3.39Å; V78-L81 PolarHBondContact O-N 2.77Å; V78-L81 VanDerWaalsContact O-N 3.08Å; L81-A83 VanDerWaalsContact C-N 3.32Å; L81-A83 PolarHBondContact O-N 2.68Å; L81-S84 WeakPolarHBondContact O-CA 3.14Å; L81-S84 WeakPolarHBondContact O-CB 3.25Å; L81-S84 PolarHBondContact O-N 3.44Å; L81-S84 PolarHBondContact O-OG 2.78Å; L81-S85 PolarHBondContact O-N 3.22Å; L81-Q1182 HydrophobicContact CD1-CG 3.47Å; L81-Q1182 VanDerWaalsContact CD1-CG 3.47Å; L81-Q1182 HydrophobicContact CG-CG 3.92Å; L81-V1186 HydrophobicContact CD1-CB 3.84Å; L81-C1313 HydrophobicContact CD2-CB 3.9Å
82D91.4Very high90.7Very high50 Ų5034 Ų3427%0.26716%0.16SC..Hα-helixtrans-61.5-37.4175.3-75.7-21.6000112.8V78 S84 S85 R86V78-D82 PolarHBondContact O-N 3.44Å; D82-S84 VanDerWaalsContact C-N 3.26Å; D82-S84 PolarHBondContact O-N 2.83Å; D82-S85 PolarHBondContact O-OG 3.08Å; D82-R86 WeakPolarHBondContact O-CD 3.29Å; D82-R86 VanDerWaalsContact O-CG 3.26Å; D82-R86 WeakPolarHBondContact O-CG 3.41Å; D82-R86 PolarHBondContact O-NE 2.97Å; D82-R86 IonicContact OD2-NH2 2.75Å
83A90.7Very high90.7Very high6 Ų633.9 Ų33.95%0.0516%0.16CC..Hα-helixtrans-76.4-11.8174.800000112.8R79 E80 L81 R1070 M1626R79-A83 VanDerWaalsContact O-CB 3.28Å; R79-A83 WeakPolarHBondContact O-CB 3.4Å; R79-A83 PolarHBondContact O-N 3.15Å; E80-A83 PolarHBondContact O-N 3.18Å; L81-A83 VanDerWaalsContact C-N 3.32Å; L81-A83 PolarHBondContact O-N 2.68Å; A83-R1070 PolarHBondContact O-NH2 3.4Å; A83-M1626 HydrophobicContact CB-CE 4.02Å; A83-M1626 HydrophobicContact CB-SD 4.09Å
84S90.2Very high90.9Very high1 Ų133 Ų331%0.00716%0.156CC..Hα-helixtrans-89.2-25.117576.10000113.6E80 L81 D82 L1178 Q1182E80-S84 WeakPolarHBondContact O-CB 3.33Å; E80-S84 PolarHBondContact O-N 3.47Å; L81-S84 WeakPolarHBondContact O-CA 3.14Å; L81-S84 WeakPolarHBondContact O-CB 3.25Å; L81-S84 PolarHBondContact O-N 3.44Å; L81-S84 PolarHBondContact O-OG 2.78Å; D82-S84 VanDerWaalsContact C-N 3.26Å; D82-S84 PolarHBondContact O-N 2.83Å; S84-L1178 VanDerWaalsContact O-CD2 3.25Å; S84-L1178 WeakPolarHBondContact O-CD2 3.23Å; S84-Q1182 WeakPolarHBondContact OG-CA 3.5Å; S84-Q1182 WeakPolarHBondContact OG-CB 3.47Å
85S89Confident90.9Very high52 Ų5233 Ų3336%0.36416%0.156SC..Hα-helixtrans-88.8-12.6175.256.40000114.2L81 D82L81-S85 PolarHBondContact O-N 3.22Å; D82-S85 PolarHBondContact O-OG 3.08Å
86R90.6Very high90.8Very high120 Ų12031.7 Ų31.745%0.45315%0.149SC..SBendtrans-95.5144.9178.5-64.5172.1-151.5-1593.5111.6D82 P1622D82-R86 WeakPolarHBondContact O-CD 3.29Å; D82-R86 VanDerWaalsContact O-CG 3.26Å; D82-R86 WeakPolarHBondContact O-CG 3.41Å; D82-R86 PolarHBondContact O-NE 2.97Å; D82-R86 IonicContact OD2-NH2 2.75Å; R86-P1622 HydrophobicContact CB-CG 4Å
87R91.6Very high90.9Very high64 Ų6431.6 Ų31.624%0.24215%0.148CC..  trans-76151.4169.1-66.4178.261-151-6.9110.6Y89 N1056 D1063 L1178R87-Y89 PolarHBondContact NH2-O 3.39Å; R87-N1056 PolarHBondContact NH1-OD1 3.31Å; R87-N1056 PolarHBondContact NH2-O 3.2Å; R87-D1063 IonicContact CZ-OD2 2.7Å; R87-D1063 VanDerWaalsContact CZ-OD2 3.22Å; R87-D1063 IonicContact NE-OD2 3.15Å; R87-D1063 PolarHBondContact NE-OD2 2.94Å; R87-D1063 IonicContact NH2-OD2 2.69Å; R87-D1063 PolarHBondContact NH2-OD2 3.01Å; R87-L1178 HydrophobicContact CG-CD1 3.88Å
88E90.9Very high90.9Very high2 Ų231.6 Ų31.61%0.00915%0.148CC..SBendtrans-101.7-30.9178.3-170.577.6168.200111.3S93 D1063 L1621 P1622 W1623 R1624E88-S93 PolarHBondContact O-OG 2.71Å; E88-D1063 PolarHBondContact N-OD1 2.79Å; E88-L1621 HydrophobicContact CG-CD2 4.34Å; E88-P1622 VanDerWaalsContact OE2-CD 3.23Å; E88-P1622 WeakPolarHBondContact OE2-CD 3.24Å; E88-W1623 HydrophobicContact CG-CE3 4.39Å; E88-W1623 WeakPolarHBondContact OE2-CB 3.47Å; E88-W1623 PolarHBondContact OE2-N 3.38Å; E88-R1624 VanDerWaalsContact OE1-CB 3.23Å; E88-R1624 WeakPolarHBondContact OE1-CB 3.15Å; E88-R1624 WeakPolarHBondContact OE1-CG 2.96Å; E88-R1624 PolarHBondContact OE1-N 3.23Å
89Y93.9Very high90.7Very high0 Ų030.2 Ų30.20%014%0.139CC..  trans-107.3102.2-173.1-57.7-81.9000111.6R87 S93 L97 Y184 G1059 L1062 D1063 T1066R87-Y89 PolarHBondContact NH2-O 3.39Å; Y89-S93 WeakPolarHBondContact CA-OG 3.1Å; Y89-L97 HydrophobicContact CD1-CD1 3.78Å; Y89-L97 HydrophobicContact CE1-CD1 3.71Å; Y89-Y184 HydrophobicContact CE1-CE1 4.27Å; Y89-G1059 WeakPolarHBondContact O-CA 3.25Å; Y89-L1062 HydrophobicContact CD1-CB 3.78Å; Y89-L1062 HydrophobicContact CD1-CD1 3.53Å; Y89-L1062 HydrophobicContact CD1-CG 4.27Å; Y89-L1062 HydrophobicContact CD2-CB 3.53Å; Y89-L1062 HydrophobicContact CE1-CB 4.09Å; Y89-L1062 HydrophobicContact CE1-CD1 3.94Å; Y89-L1062 HydrophobicContact CE1-CG 4.5Å; Y89-L1062 HydrophobicContact CE2-CB 3.88Å; Y89-L1062 HydrophobicContact CG-CB 3.46Å; Y89-L1062 VanDerWaalsContact CG-CB 3.46Å; Y89-L1062 HydrophobicContact CG-CD1 3.99Å; Y89-L1062 HydrophobicContact CG-CG 4.38Å; Y89-D1063 WeakPolarHBondContact CD2-OD1 3.44Å; Y89-D1063 PolarHBondContact N-OD1 2.81Å; Y89-T1066 HydrophobicContact CE2-CG2 4.16Å; Y89-T1066 VanDerWaalsContact CE2-OG1 3.23Å; Y89-T1066 WeakPolarHBondContact CE2-OG1 3.16Å; Y89-T1066 PolarHBondContact OH-OG1 3.28Å
90T89.8Confident90.7Very high35 Ų3526.3 Ų26.322%0.21513%0.125CC..  trans-122.2167.8-178.863.10000110.7K92 S93 I94T90-K92 PolarHBondContact O-N 3.32Å; T90-K92 VanDerWaalsContact O-N 3.11Å; T90-K92 PolarHBondContact OG1-N 2.77Å; T90-S93 PolarHBondContact N-OG 3.33Å; T90-S93 PolarHBondContact O-N 3.13Å; T90-S93 VanDerWaalsContact O-N 3.1Å; T90-S93 PolarHBondContact OG1-N 3.42Å; T90-S93 VanDerWaalsContact OG1-N 3.14Å; T90-S93 PolarHBondContact OG1-OG 2.72Å; T90-I94 WeakPolarHBondContact O-CB 3.33Å; T90-I94 WeakPolarHBondContact O-CD1 3.25Å; T90-I94 VanDerWaalsContact O-CG1 3.26Å; T90-I94 WeakPolarHBondContact O-CG1 3.21Å; T90-I94 PolarHBondContact O-N 2.93Å
91E87.5Confident90.6Very high59 Ų5926.3 Ų26.328%0.27613%0.125SC..THydrogen-bonded Turntrans-58-20.6172.268.9-70.8165.600113.7P95 V173 L1055E91-P95 VanDerWaalsContact O-CD 3.29Å; E91-P95 WeakPolarHBondContact O-CD 3.46Å; E91-P95 WeakPolarHBondContact O-CG 3.5Å; E91-V173 WeakPolarHBondContact O-CG2 3.5Å; E91-L1055 HydrophobicContact CB-CB 4.12Å
92K87.1Confident90.6Very high106 Ų10626.3 Ų26.346%0.46112%0.124SC..THydrogen-bonded Turntrans-85.7-38.6171.4-63.2-173-176-179.90113.6T90 I96T90-K92 PolarHBondContact O-N 3.32Å; T90-K92 VanDerWaalsContact O-N 3.11Å; T90-K92 PolarHBondContact OG1-N 2.77Å; K92-I96 WeakPolarHBondContact O-CD1 3.28Å; K92-I96 WeakPolarHBondContact O-CG1 3.49Å
93S90Very high90.2Very high0 Ų025.1 Ų25.10%012%0.118CC..Hα-helixtrans-84.7-32.7-173.869.10000113.6E88 Y89 T90 I96 L97 I1620E88-S93 PolarHBondContact O-OG 2.71Å; Y89-S93 WeakPolarHBondContact CA-OG 3.1Å; T90-S93 PolarHBondContact N-OG 3.33Å; T90-S93 PolarHBondContact O-N 3.13Å; T90-S93 VanDerWaalsContact O-N 3.1Å; T90-S93 PolarHBondContact OG1-N 3.42Å; T90-S93 VanDerWaalsContact OG1-N 3.14Å; T90-S93 PolarHBondContact OG1-OG 2.72Å; S93-I96 PolarHBondContact O-N 3.23Å; S93-L97 WeakPolarHBondContact O-CG 3.04Å; S93-L97 PolarHBondContact O-N 2.72Å; S93-I1620 WeakPolarHBondContact CB-O 3.4Å
94I92.8Very high90.1Very high3 Ų326.4 Ų26.42%0.01512%0.124CC..Hα-helixtrans-59.8-47.8-178.2-68.2163.6000113.2T90 I96 L97 L98 L1055T90-I94 WeakPolarHBondContact O-CB 3.33Å; T90-I94 WeakPolarHBondContact O-CD1 3.25Å; T90-I94 VanDerWaalsContact O-CG1 3.26Å; T90-I94 WeakPolarHBondContact O-CG1 3.21Å; T90-I94 PolarHBondContact O-N 2.93Å; I94-I96 VanDerWaalsContact C-N 3.28Å; I94-I96 PolarHBondContact O-N 2.96Å; I94-L97 PolarHBondContact O-N 2.95Å; I94-L98 HydrophobicContact CG2-CD1 3.72Å; I94-L98 HydrophobicContact CG2-CG 4.16Å; I94-L98 WeakPolarHBondContact O-CB 3.39Å; I94-L98 VanDerWaalsContact O-CG 3.31Å; I94-L98 WeakPolarHBondContact O-CG 3.03Å; I94-L98 PolarHBondContact O-N 3.29Å; I94-L1055 HydrophobicContact CD1-CB 4.46Å; I94-L1055 VanDerWaalsContact CD1-O 3.23Å; I94-L1055 WeakPolarHBondContact CD1-O 3.46Å; I94-L1055 HydrophobicContact CG2-CD1 4.49Å; I94-L1055 HydrophobicContact CG2-CD2 4.46Å
95P91.4Very high90Very high0 Ų027.2 Ų27.20%013%0.127CC..Hα-helixtrans-58.2-40.8179.5-22.832.7000112.6E91 L98 H99 T161 V173 V176 L1055E91-P95 VanDerWaalsContact O-CD 3.29Å; E91-P95 WeakPolarHBondContact O-CD 3.46Å; E91-P95 WeakPolarHBondContact O-CG 3.5Å; P95-L98 PolarHBondContact O-N 3.17Å; P95-H99 WeakPolarHBondContact O-CB 3.14Å; P95-H99 PolarHBondContact O-N 3.42Å; P95-T161 HydrophobicContact CB-CG2 3.77Å; P95-T161 WeakPolarHBondContact CB-OG1 3.49Å; P95-V173 HydrophobicContact CG-CG2 4.05Å; P95-V176 HydrophobicContact CB-CG2 3.9Å; P95-V176 HydrophobicContact CG-CG2 3.99Å; P95-L1055 HydrophobicContact CG-CD1 4.02Å
96I88.7Confident89.9Confident3 Ų325 Ų252%0.01511%0.111CC..Hα-helixtrans-69.7-42.9-177.3-42.6173.7000110.3K92 S93 I94 Q100 T161 L165 P1607 I1620K92-I96 WeakPolarHBondContact O-CD1 3.28Å; K92-I96 WeakPolarHBondContact O-CG1 3.49Å; S93-I96 PolarHBondContact O-N 3.23Å; I94-I96 VanDerWaalsContact C-N 3.28Å; I94-I96 PolarHBondContact O-N 2.96Å; I96-Q100 PolarHBondContact O-N 3.28Å; I96-Q100 VanDerWaalsContact O-N 3.08Å; I96-T161 HydrophobicContact CB-CG2 4.15Å; I96-T161 HydrophobicContact CG1-CG2 3.59Å; I96-L165 HydrophobicContact CD1-CD2 4.49Å; I96-P1607 HydrophobicContact CG2-CB 3.51Å; I96-P1607 HydrophobicContact CG2-CG 3.97Å; I96-I1620 HydrophobicContact CD1-CG2 4.23Å
97L91.1Very high89.4Confident7 Ų721 Ų214%0.03710%0.097CC..Hα-helixtrans-63.4-41.4175.4-72.2167.7000112.3Y89 S93 I94 F101 P1607 L1621Y89-L97 HydrophobicContact CD1-CD1 3.78Å; Y89-L97 HydrophobicContact CE1-CD1 3.71Å; S93-L97 WeakPolarHBondContact O-CG 3.04Å; S93-L97 PolarHBondContact O-N 2.72Å; I94-L97 PolarHBondContact O-N 2.95Å; L97-F101 VanDerWaalsContact O-CB 3.31Å; L97-F101 WeakPolarHBondContact O-CB 3.38Å; L97-F101 PolarHBondContact O-N 3.41Å; L97-P1607 HydrophobicContact CD2-CG 3.93Å; L97-P1607 HydrophobicContact CG-CG 4.47Å; L97-L1621 HydrophobicContact CD1-CD2 3.95Å; L97-L1621 HydrophobicContact CD2-CD1 4.32Å; L97-L1621 HydrophobicContact CD2-CD2 4.29Å; L97-L1621 HydrophobicContact CG-CD2 4.25Å
98L92.6Very high89.2Confident0 Ų019 Ų190%09%0.091CC..Hα-helixtrans-65.6-46.8177-70.7174.9000111.6I94 P95 Q100 F101 F102 L158 V176 D180 Y184I94-L98 HydrophobicContact CG2-CD1 3.72Å; I94-L98 HydrophobicContact CG2-CG 4.16Å; I94-L98 WeakPolarHBondContact O-CB 3.39Å; I94-L98 VanDerWaalsContact O-CG 3.31Å; I94-L98 WeakPolarHBondContact O-CG 3.03Å; I94-L98 PolarHBondContact O-N 3.29Å; P95-L98 PolarHBondContact O-N 3.17Å; L98-Q100 VanDerWaalsContact C-N 3.33Å; L98-Q100 PolarHBondContact O-N 3.12Å; L98-F101 PolarHBondContact O-N 3.47Å; L98-F102 HydrophobicContact CB-CE2 4.37Å; L98-F102 HydrophobicContact CD2-CE2 4.42Å; L98-F102 WeakPolarHBondContact O-CD2 3.32Å; L98-F102 PolarHBondContact O-N 3.42Å; L98-L158 HydrophobicContact CB-CD1 3.96Å; L98-V176 HydrophobicContact CD1-CG1 3.53Å; L98-D180 HydrophobicContact CD1-CB 4.18Å; L98-D180 HydrophobicContact CD2-CB 4.5Å; L98-Y184 VanDerWaalsContact CD2-CB 3.43Å; L98-Y184 HydrophobicContact CD2-CD1 4.16Å; L98-Y184 HydrophobicContact CD2-CD2 4.39Å; L98-Y184 HydrophobicContact CD2-CG 3.76Å
99H90.3Very high89.1Confident14 Ų1419 Ų197%0.0659%0.09CC..Hα-helixtrans-55.7-48176.4-179.1-124.5000111.5P95 F102 I103 A155 L158 T162P95-H99 WeakPolarHBondContact O-CB 3.14Å; P95-H99 PolarHBondContact O-N 3.42Å; H99-F102 PolarHBondContact O-N 3.12Å; H99-I103 WeakPolarHBondContact CE1-CD1 3.41Å; H99-I103 WeakPolarHBondContact NE2-CD1 3.12Å; H99-I103 WeakPolarHBondContact O-CG1 3.36Å; H99-I103 PolarHBondContact O-N 2.84Å; H99-A155 PolarHBondContact CD2-O 2.73Å; H99-L158 HydrophobicContact CB-CB 3.97Å; H99-T162 PolarHBondContact CE1-OG1 3.46Å; H99-T162 WeakPolarHBondContact ND1-CG2 3.23Å
100Q89Confident88.7Confident10 Ų1019.7 Ų19.75%0.04710%0.095CC..Hα-helixtrans-64.9-42.4177.7-168.465.877.200112.5I96 L98 F102 I103 D104 P1607I96-Q100 PolarHBondContact O-N 3.28Å; I96-Q100 VanDerWaalsContact O-N 3.08Å; L98-Q100 VanDerWaalsContact C-N 3.33Å; L98-Q100 PolarHBondContact O-N 3.12Å; Q100-F102 VanDerWaalsContact C-N 3.34Å; Q100-F102 PolarHBondContact O-N 3.35Å; Q100-I103 PolarHBondContact O-N 2.73Å; Q100-D104 PolarHBondContact NE2-OD1 3.04Å; Q100-D104 WeakPolarHBondContact O-CB 3.47Å; Q100-D104 PolarHBondContact O-N 3.09Å; Q100-P1607 HydrophobicContact CB-CB 3.93Å; Q100-P1607 HydrophobicContact CB-CG 4.18Å; Q100-P1607 HydrophobicContact CG-CB 4.27Å
101F91.7Very high88.5Confident17 Ų1719.8 Ų19.88%0.0759%0.094CC..Hα-helixtrans-57.1-45.4178.3167.6-102.4000111.8L97 L98 D104 R105 V183 Y184 H187L97-F101 VanDerWaalsContact O-CB 3.31Å; L97-F101 WeakPolarHBondContact O-CB 3.38Å; L97-F101 PolarHBondContact O-N 3.41Å; L98-F101 PolarHBondContact O-N 3.47Å; F101-D104 PolarHBondContact O-N 3.23Å; F101-R105 VanDerWaalsContact O-CB 3.23Å; F101-R105 WeakPolarHBondContact O-CB 3.47Å; F101-R105 PolarHBondContact O-N 3.23Å; F101-V183 HydrophobicContact CE1-CG1 3.81Å; F101-V183 HydrophobicContact CZ-CG1 4.19Å; F101-Y184 HydrophobicContact CB-CD2 3.84Å; F101-Y184 HydrophobicContact CB-CE2 4.02Å; F101-Y184 HydrophobicContact CD1-CD2 4.04Å; F101-Y184 AromaticContact CD2-CD2 3.88Å; F101-Y184 HydrophobicContact CD2-CD2 3.88Å; F101-Y184 HydrophobicContact CD2-CE2 4.26Å; F101-Y184 HydrophobicContact CE2-CD2 4.5Å; F101-Y184 AromaticContact CG-CD2 3.62Å; F101-Y184 HydrophobicContact CG-CD2 3.62Å; F101-Y184 HydrophobicContact CG-CE2 4.17Å; F101-H187 AromaticContact CD2-CD2 3.79Å; F101-H187 HydrophobicContact CE2-CB 3.91Å; F101-H187 AromaticContact CE2-CD2 3.38Å; F101-H187 WeakPolarHBondContact CE2-CD2 3.24Å; F101-H187 AromaticContact CE2-CG 3.48Å; F101-H187 VanDerWaalsContact CE2-CG 3.48Å; F101-H187 AromaticContact CE2-NE2 3.88Å; F101-H187 HydrophobicContact CZ-CB 4.03Å
102F92Very high88.6Confident3 Ų317 Ų171%0.0138%0.081CC..Hα-helixtrans-70.3-36.8177-65.5-64.1000112.8L98 H99 Q100 D104 R105 M106 A151 R154 A155 L158 D180 V183L98-F102 HydrophobicContact CB-CE2 4.37Å; L98-F102 HydrophobicContact CD2-CE2 4.42Å; L98-F102 WeakPolarHBondContact O-CD2 3.32Å; L98-F102 PolarHBondContact O-N 3.42Å; H99-F102 PolarHBondContact O-N 3.12Å; Q100-F102 VanDerWaalsContact C-N 3.34Å; Q100-F102 PolarHBondContact O-N 3.35Å; F102-D104 VanDerWaalsContact C-N 3.3Å; F102-D104 PolarHBondContact O-N 3.18Å; F102-R105 PolarHBondContact O-N 3.32Å; F102-M106 WeakPolarHBondContact O-CG 3.36Å; F102-M106 PolarHBondContact O-N 3.5Å; F102-A151 HydrophobicContact CB-CB 4.49Å; F102-A151 HydrophobicContact CD1-CB 4.08Å; F102-R154 HydrophobicContact CB-CB 4.5Å; F102-R154 HydrophobicContact CD1-CB 4.17Å; F102-R154 HydrophobicContact CD2-CB 3.84Å; F102-R154 HydrophobicContact CE1-CB 4.42Å; F102-R154 HydrophobicContact CE2-CB 4.13Å; F102-R154 HydrophobicContact CG-CB 3.89Å; F102-R154 HydrophobicContact CZ-CB 4.42Å; F102-A155 HydrophobicContact CB-CB 4Å; F102-L158 HydrophobicContact CD2-CD1 3.77Å; F102-L158 HydrophobicContact CE2-CD1 4.02Å; F102-D180 HydrophobicContact CE2-CB 3.93Å; F102-D180 HydrophobicContact CZ-CB 4.12Å; F102-V183 HydrophobicContact CE1-CG1 4.04Å; F102-V183 HydrophobicContact CZ-CB 4.39Å; F102-V183 HydrophobicContact CZ-CG1 4.37Å
103I84.4Confident88.7Confident25 Ų2512.5 Ų12.513%0.1286%0.061CC..Hα-helixtrans-57.8-43.8171.7-78.1178.6000111.3H99 Q100 H107 A155 K717H99-I103 WeakPolarHBondContact CE1-CD1 3.41Å; H99-I103 WeakPolarHBondContact NE2-CD1 3.12Å; H99-I103 WeakPolarHBondContact O-CG1 3.36Å; H99-I103 PolarHBondContact O-N 2.84Å; Q100-I103 PolarHBondContact O-N 2.73Å; I103-H107 PolarHBondContact O-CE1 3.37Å; I103-H107 PolarHBondContact O-ND1 3.13Å; I103-A155 HydrophobicContact CG1-CB 4.18Å; I103-K717 PolarHBondContact O-NZ 2.86Å
104D86.8Confident88.4Confident34 Ų3414.2 Ų14.218%0.1827%0.069CC..Hα-helixtrans-73.4-40.8-179.3-72.624.6000110.7Q100 F101 F102 M106 H107 Q108 R688Q100-D104 PolarHBondContact NE2-OD1 3.04Å; Q100-D104 WeakPolarHBondContact O-CB 3.47Å; Q100-D104 PolarHBondContact O-N 3.09Å; F101-D104 PolarHBondContact O-N 3.23Å; F102-D104 VanDerWaalsContact C-N 3.3Å; F102-D104 PolarHBondContact O-N 3.18Å; D104-M106 VanDerWaalsContact C-N 3.32Å; D104-M106 PolarHBondContact O-N 3.38Å; D104-H107 PolarHBondContact O-N 3.46Å; D104-Q108 WeakPolarHBondContact O-CG 3.32Å; D104-Q108 PolarHBondContact O-N 3.1Å; D104-R688 VanDerWaalsContact CG-NH2 3.27Å; D104-R688 IonicContact OD1-CZ 2.81Å; D104-R688 IonicContact OD1-NH1 3.62Å; D104-R688 IonicContact OD1-NH2 3.36Å; D104-R688 PolarHBondContact OD1-NH2 3.07Å; D104-R688 IonicContact OD2-CZ 3.94Å; D104-R688 VanDerWaalsContact OD2-CZ 3.3Å; D104-R688 IonicContact OD2-NH1 2.58Å; D104-R688 PolarHBondContact OD2-NH1 2.84Å; D104-R688 IonicContact OD2-NH2 2.67Å; D104-R688 PolarHBondContact OD2-NH2 2.7Å
105R88.8Confident88.2Confident18 Ų1814.9 Ų14.97%0.0687%0.074CC..Hα-helixtrans-61.9-36.5177.4-169.559.3171.6-172.2-4.7112.4F101 F102 Q108 M109 E147 L922F101-R105 VanDerWaalsContact O-CB 3.23Å; F101-R105 WeakPolarHBondContact O-CB 3.47Å; F101-R105 PolarHBondContact O-N 3.23Å; F102-R105 PolarHBondContact O-N 3.32Å; R105-Q108 VanDerWaalsContact CD-OE1 3.3Å; R105-Q108 WeakPolarHBondContact O-CB 3.17Å; R105-Q108 PolarHBondContact O-N 3.42Å; R105-M109 VanDerWaalsContact CZ-CE 3.46Å; R105-M109 WeakPolarHBondContact O-CG 3.43Å; R105-M109 PolarHBondContact O-N 2.82Å; R105-E147 IonicContact CZ-OE1 2.76Å; R105-E147 IonicContact NE-OE1 2.74Å; R105-E147 PolarHBondContact NE-OE1 3.39Å; R105-E147 IonicContact NH2-OE1 3.89Å; R105-E147 PolarHBondContact NH2-OE1 2.95Å; R105-E147 IonicContact NH2-OE2 3.17Å; R105-L922 PolarHBondContact NH2-O 3.32Å; R105-L922 VanDerWaalsContact NH2-O 3.07Å
106M86.1Confident88.1Confident6 Ų615 Ų153%0.037%0.074CC..Hα-helixtrans-54.5-54.6171.1-73.7173.378.200111.4F102 D104 Q108 M109 V110 Y148 A151 A155 K717F102-M106 WeakPolarHBondContact O-CG 3.36Å; F102-M106 PolarHBondContact O-N 3.5Å; D104-M106 VanDerWaalsContact C-N 3.32Å; D104-M106 PolarHBondContact O-N 3.38Å; M106-Q108 VanDerWaalsContact C-N 3.29Å; M106-Q108 PolarHBondContact O-N 2.73Å; M106-M109 PolarHBondContact O-N 3.38Å; M106-M109 VanDerWaalsContact O-N 3.15Å; M106-V110 WeakPolarHBondContact O-CG2 3.08Å; M106-V110 PolarHBondContact O-N 2.85Å; M106-V110 VanDerWaalsContact O-N 3.08Å; M106-Y148 HydrophobicContact CB-CD2 4.09Å; M106-Y148 HydrophobicContact CB-CE2 3.88Å; M106-Y148 HydrophobicContact CE-CE2 3.96Å; M106-Y148 HydrophobicContact CG-CD2 4.33Å; M106-Y148 HydrophobicContact CG-CE2 4.21Å; M106-A151 HydrophobicContact CG-CB 4.06Å; M106-A155 HydrophobicContact SD-CB 4.17Å; M106-K717 HydrophobicContact CE-CB 4.42Å; M106-K717 HydrophobicContact CE-CD 3.54Å; M106-K717 HydrophobicContact SD-CD 4.05Å; M106-K717 PolarHBondContact SD-NZ 3.38Å
107H80.2Confident88.1Confident34 Ų3415 Ų1516%0.1577%0.074CC..Hα-helixtrans-62-38.1179.4-56.8109.1000111.2I103 D104 M109 V110 I111 K717 E720I103-H107 PolarHBondContact O-CE1 3.37Å; I103-H107 PolarHBondContact O-ND1 3.13Å; D104-H107 PolarHBondContact O-N 3.46Å; H107-M109 PolarHBondContact O-N 2.81Å; H107-V110 PolarHBondContact O-N 3.3Å; H107-I111 WeakPolarHBondContact O-CG1 3.46Å; H107-I111 PolarHBondContact O-N 2.78Å; H107-K717 VanDerWaalsContact CE1-CE 3.41Å; H107-K717 WeakPolarHBondContact CE1-CE 3.43Å; H107-K717 PolarHBondContact CE1-NZ 2.84Å; H107-K717 VanDerWaalsContact CE1-NZ 3.35Å; H107-K717 WeakPolarHBondContact NE2-CE 3.43Å; H107-E720 IonicContact CD2-OE1 2.72Å; H107-E720 PolarHBondContact CD2-OE1 2.91Å; H107-E720 IonicContact CD2-OE2 3.67Å
108Q88.1Confident87.7Confident24 Ų2415.4 Ų15.411%0.1128%0.076CC..Hα-helixtrans-60.2-44174.6-71.2179.30.900111.9D104 R105 M106 V110 I111 L112 I848D104-Q108 WeakPolarHBondContact O-CG 3.32Å; D104-Q108 PolarHBondContact O-N 3.1Å; R105-Q108 VanDerWaalsContact CD-OE1 3.3Å; R105-Q108 WeakPolarHBondContact O-CB 3.17Å; R105-Q108 PolarHBondContact O-N 3.42Å; M106-Q108 VanDerWaalsContact C-N 3.29Å; M106-Q108 PolarHBondContact O-N 2.73Å; Q108-V110 VanDerWaalsContact C-N 3.34Å; Q108-V110 PolarHBondContact O-N 2.84Å; Q108-I111 PolarHBondContact O-N 3.4Å; Q108-L112 WeakPolarHBondContact O-CB 3.31Å; Q108-L112 PolarHBondContact O-N 3.38Å; Q108-I848 HydrophobicContact CB-CG2 3.85Å; Q108-I848 HydrophobicContact CG-CG2 4.27Å; Q108-I848 WeakPolarHBondContact O-CG2 3.44Å
109M89.4Confident87.4Confident1 Ų116.2 Ų16.21%0.0058%0.079CC..Hα-helixtrans-67.6-34.1178.9-65.3-55.888.700112.5R105 M106 H107 L112 K113 L144 E147 Y148R105-M109 VanDerWaalsContact CZ-CE 3.46Å; R105-M109 WeakPolarHBondContact O-CG 3.43Å; R105-M109 PolarHBondContact O-N 2.82Å; M106-M109 PolarHBondContact O-N 3.38Å; M106-M109 VanDerWaalsContact O-N 3.15Å; H107-M109 PolarHBondContact O-N 2.81Å; M109-L112 HydrophobicContact CE-CD2 3.96Å; M109-K113 VanDerWaalsContact O-CB 3.29Å; M109-K113 WeakPolarHBondContact O-CB 3.34Å; M109-K113 PolarHBondContact O-N 2.93Å; M109-L144 HydrophobicContact CE-CD2 4.36Å; M109-L144 HydrophobicContact SD-CD2 3.51Å; M109-L144 VanDerWaalsContact SD-CD2 3.51Å; M109-E147 HydrophobicContact CG-CG 4.37Å; M109-E147 HydrophobicContact SD-CB 4.36Å; M109-E147 HydrophobicContact SD-CG 4.21Å; M109-Y148 HydrophobicContact CB-CD2 4.33Å
110V84.9Confident87.3Confident15 Ų1517.3 Ų17.39%0.0918%0.083CC..Hα-helixtrans-63.3-51.2172.7173.30000110.7M106 H107 Q108 L112 K113 H114 Y148 E720 F723 M724M106-V110 WeakPolarHBondContact O-CG2 3.08Å; M106-V110 PolarHBondContact O-N 2.85Å; M106-V110 VanDerWaalsContact O-N 3.08Å; H107-V110 PolarHBondContact O-N 3.3Å; Q108-V110 VanDerWaalsContact C-N 3.34Å; Q108-V110 PolarHBondContact O-N 2.84Å; V110-L112 PolarHBondContact O-N 2.85Å; V110-K113 PolarHBondContact O-N 3.28Å; V110-H114 WeakPolarHBondContact O-CB 3.37Å; V110-H114 PolarHBondContact O-N 2.76Å; V110-Y148 HydrophobicContact CG2-CD2 3.92Å; V110-Y148 HydrophobicContact CG2-CE2 3.54Å; V110-E720 HydrophobicContact CG1-CB 4.36Å; V110-E720 HydrophobicContact CG1-CG 4.37Å; V110-E720 HydrophobicContact CG2-CB 3.83Å; V110-E720 HydrophobicContact CG2-CG 4.41Å; V110-F723 HydrophobicContact CG1-CD1 3.93Å; V110-F723 HydrophobicContact CG1-CE1 4.47Å; V110-M724 HydrophobicContact CG2-CG 3.96Å; V110-M724 HydrophobicContact CG2-SD 4.08Å
111I85.3Confident87Confident37 Ų3721.2 Ų21.219%0.1910%0.1CC..Hα-helixtrans-63.1-40.7178.4-68.1167.1000111.2H107 Q108 S115 I848 R850H107-I111 WeakPolarHBondContact O-CG1 3.46Å; H107-I111 PolarHBondContact O-N 2.78Å; Q108-I111 PolarHBondContact O-N 3.4Å; I111-S115 WeakPolarHBondContact O-CB 3.45Å; I111-S115 PolarHBondContact O-N 2.81Å; I111-S115 PolarHBondContact O-OG 2.85Å; I111-I848 HydrophobicContact CB-CG2 4.14Å; I111-I848 WeakPolarHBondContact CD1-O 3.38Å; I111-I848 HydrophobicContact CG2-CG2 4.05Å; I111-R850 HydrophobicContact CD1-CB 4.24Å
112L89.3Confident86.5Confident1 Ų121.6 Ų21.61%0.00510%0.101CC..Hα-helixtrans-69-44178.1-177.853.6000111.7Q108 M109 V110 S115 H116 L144 I848 P924 F949Q108-L112 WeakPolarHBondContact O-CB 3.31Å; Q108-L112 PolarHBondContact O-N 3.38Å; M109-L112 HydrophobicContact CE-CD2 3.96Å; V110-L112 PolarHBondContact O-N 2.85Å; L112-S115 PolarHBondContact O-N 2.81Å; L112-H116 PolarHBondContact O-CD2 3.36Å; L112-H116 VanDerWaalsContact O-CD2 3.23Å; L112-H116 PolarHBondContact O-N 2.78Å; L112-L144 HydrophobicContact CD2-CD1 4.39Å; L112-L144 HydrophobicContact CD2-CD2 3.49Å; L112-L144 VanDerWaalsContact CD2-CD2 3.49Å; L112-L144 HydrophobicContact CG-CD1 4.06Å; L112-L144 HydrophobicContact CG-CD2 4Å; L112-I848 HydrophobicContact CB-CD1 4.3Å; L112-I848 HydrophobicContact CB-CG2 3.93Å; L112-I848 HydrophobicContact CD1-CD1 3.96Å; L112-I848 HydrophobicContact CD2-CD1 3.98Å; L112-I848 HydrophobicContact CG-CD1 4.3Å; L112-P924 HydrophobicContact CD2-CG 3.94Å; L112-F949 HydrophobicContact CD1-CB 4.19Å; L112-F949 HydrophobicContact CD1-CD1 4.19Å; L112-F949 HydrophobicContact CD1-CD2 3.73Å; L112-F949 HydrophobicContact CD1-CE2 4.15Å; L112-F949 HydrophobicContact CD1-CG 3.77Å
113K89.3Confident85.9Confident10 Ų1024.4 Ų24.44%0.04311%0.112CC..Hα-helixtrans-58.9-49.5173.1178.3168.8176.4172.40110.4M109 V110 S115 H116 L117 L141 F723 M724 F726M109-K113 VanDerWaalsContact O-CB 3.29Å; M109-K113 WeakPolarHBondContact O-CB 3.34Å; M109-K113 PolarHBondContact O-N 2.93Å; V110-K113 PolarHBondContact O-N 3.28Å; K113-S115 VanDerWaalsContact C-N 3.3Å; K113-S115 PolarHBondContact O-N 3.4Å; K113-H116 PolarHBondContact O-N 2.91Å; K113-H116 VanDerWaalsContact O-N 3.16Å; K113-L117 HydrophobicContact CG-CD1 4.18Å; K113-L117 HydrophobicContact CG-CG 4.21Å; K113-L117 WeakPolarHBondContact O-CG 3.37Å; K113-L117 PolarHBondContact O-N 2.85Å; K113-L141 HydrophobicContact CG-CD2 4.07Å; K113-F723 HydrophobicContact CG-CE1 4.35Å; K113-M724 HydrophobicContact CB-CE 4.34Å; K113-M724 HydrophobicContact CB-SD 3.91Å; K113-M724 HydrophobicContact CD-CE 3.77Å; K113-M724 HydrophobicContact CD-SD 3.55Å; K113-M724 VanDerWaalsContact CD-SD 3.55Å; K113-M724 HydrophobicContact CG-SD 4.25Å; K113-M724 PolarHBondContact NZ-O 3.09Å; K113-F726 WeakPolarHBondContact CE-O 3.48Å; K113-F726 PolarHBondContact NZ-O 2.82Å
114H84.7Confident85.6Confident37 Ų3724.6 Ų24.617%0.17112%0.115CC..Hα-helixtrans-55-45.3176.3-178-110.4000112.3V110 H116 L117 L118 F723 H732V110-H114 WeakPolarHBondContact O-CB 3.37Å; V110-H114 PolarHBondContact O-N 2.76Å; H114-H116 PolarHBondContact O-N 3.02Å; H114-L117 PolarHBondContact O-N 3Å; H114-L118 WeakPolarHBondContact CE1-CD1 3.23Å; H114-L118 PolarHBondContact O-N 2.86Å; H114-F723 HydrophobicContact CB-CE1 3.84Å; H114-F723 HydrophobicContact CB-CZ 3.61Å; H114-F723 AromaticContact CD2-CE2 3.83Å; H114-F723 AromaticContact CD2-CZ 3.59Å; H114-F723 AromaticContact CG-CZ 4Å; H114-H732 AromaticContact CE1-CE1 3.68Å; H114-H732 AromaticContact NE2-CE1 3.5Å; H114-H732 PolarHBondContact NE2-CE1 3.12Å
115S87.7Confident84.6Confident17 Ų1730.4 Ų30.412%0.11914%0.139CC..Hα-helixtrans-66.8-35.5179.1-54.10000112.7I111 L112 K113 R119I111-S115 WeakPolarHBondContact O-CB 3.45Å; I111-S115 PolarHBondContact O-N 2.81Å; I111-S115 PolarHBondContact O-OG 2.85Å; L112-S115 PolarHBondContact O-N 2.81Å; K113-S115 VanDerWaalsContact C-N 3.3Å; K113-S115 PolarHBondContact O-N 3.4Å; S115-R119 WeakPolarHBondContact O-CB 3.5Å; S115-R119 PolarHBondContact O-N 3.5Å
116H89Confident83.4Confident2 Ų232.2 Ų32.21%0.00915%0.154CC..Hα-helixtrans-66.9-44.5170.4-81.9-73.6000112.4L112 K113 H114 R119 W120 Y137 L141 L144 L947 F949L112-H116 PolarHBondContact O-CD2 3.36Å; L112-H116 VanDerWaalsContact O-CD2 3.23Å; L112-H116 PolarHBondContact O-N 2.78Å; K113-H116 PolarHBondContact O-N 2.91Å; K113-H116 VanDerWaalsContact O-N 3.16Å; H114-H116 PolarHBondContact O-N 3.02Å; H116-R119 PolarHBondContact O-N 2.83Å; H116-W120 VanDerWaalsContact O-CB 3.28Å; H116-W120 WeakPolarHBondContact O-CB 3.29Å; H116-W120 PolarHBondContact O-N 3.24Å; H116-Y137 HydrophobicContact CB-CE2 4.5Å; H116-L141 HydrophobicContact CB-CD2 4.16Å; H116-L144 VanDerWaalsContact CD2-CD1 3.47Å; H116-L144 WeakPolarHBondContact CD2-CD1 3.4Å; H116-L947 PolarHBondContact CE1-O 3.31Å; H116-F949 AromaticContact CE1-CD2 3.83Å; H116-F949 AromaticContact CE1-CE2 3.62Å; H116-F949 AromaticContact ND1-CE2 3.7Å; H116-F949 AromaticContact NE2-CD2 3.93Å; H116-F949 AromaticContact NE2-CE2 3.91Å
117L88.5Confident82.7Confident3 Ų337 Ų372%0.01618%0.184CC..Hα-helixtrans-62.1-48179.5-66.8-176.1000111.3K113 H114 W120 K121 Y137 L141 F723 A727 V729K113-L117 HydrophobicContact CG-CD1 4.18Å; K113-L117 HydrophobicContact CG-CG 4.21Å; K113-L117 WeakPolarHBondContact O-CG 3.37Å; K113-L117 PolarHBondContact O-N 2.85Å; H114-L117 PolarHBondContact O-N 3Å; L117-W120 PolarHBondContact O-N 2.75Å; L117-K121 WeakPolarHBondContact O-CB 3.21Å; L117-K121 PolarHBondContact O-N 2.71Å; L117-Y137 VanDerWaalsContact CD2-OH 3.24Å; L117-Y137 WeakPolarHBondContact CD2-OH 3.03Å; L117-L141 HydrophobicContact CD2-CD1 3.75Å; L117-L141 HydrophobicContact CD2-CD2 3.84Å; L117-L141 HydrophobicContact CD2-CG 4.48Å; L117-L141 HydrophobicContact CG-CD2 4.4Å; L117-F723 HydrophobicContact CD1-CZ 4.13Å; L117-A727 WeakPolarHBondContact CD2-O 3.36Å; L117-V729 HydrophobicContact CB-CB 4.19Å; L117-V729 HydrophobicContact CB-CG2 4.21Å; L117-V729 HydrophobicContact CD1-CB 4.41Å; L117-V729 HydrophobicContact CD1-CG2 3.62Å
118L84Confident82.5Confident15 Ų1539.2 Ų39.28%0.07920%0.203CC..Hα-helixtrans-60-50175.2-77.5179.4000111.7H114 W120 K121 R122 V729H114-L118 WeakPolarHBondContact CE1-CD1 3.23Å; H114-L118 PolarHBondContact O-N 2.86Å; L118-W120 VanDerWaalsContact C-N 3.32Å; L118-W120 PolarHBondContact O-N 2.83Å; L118-K121 PolarHBondContact O-N 3.43Å; L118-R122 WeakPolarHBondContact O-CB 3.35Å; L118-R122 PolarHBondContact O-N 3.03Å; L118-V729 HydrophobicContact CD2-CG1 3.88Å; L118-V729 HydrophobicContact CG-CG1 4.43Å
119R86.6Confident81.6Confident17 Ų1739.8 Ų39.86%0.06421%0.213CC..Hα-helixtrans-63.8-37.7-178.3-170-176.5-78.6-170.24.4111.8S115 H116 R122 Y123 I932 Y945 L946 E948S115-R119 WeakPolarHBondContact O-CB 3.5Å; S115-R119 PolarHBondContact O-N 3.5Å; H116-R119 PolarHBondContact O-N 2.83Å; R119-R122 PolarHBondContact O-N 3.28Å; R119-Y123 HydrophobicContact CG-CD2 3.83Å; R119-Y123 HydrophobicContact CG-CE2 4.06Å; R119-Y123 VanDerWaalsContact O-CD2 3.3Å; R119-Y123 WeakPolarHBondContact O-CD2 3.5Å; R119-Y123 PolarHBondContact O-N 2.76Å; R119-I932 HydrophobicContact CG-CD1 3.88Å; R119-Y945 PolarHBondContact NH1-O 3.08Å; R119-L946 WeakPolarHBondContact CD-O 3.44Å; R119-L946 HydrophobicContact CG-CD1 4.1Å; R119-E948 PolarHBondContact NH1-O 3.13Å
120W86.9Confident81Confident37 Ų3741.2 Ų41.214%0.1422%0.221CC..Hα-helixtrans-61.3-51172.2-173.7-101000111.5H116 L117 L118 R122 Y123 C124 T130 I133 C134 Y137 L946H116-W120 VanDerWaalsContact O-CB 3.28Å; H116-W120 WeakPolarHBondContact O-CB 3.29Å; H116-W120 PolarHBondContact O-N 3.24Å; L117-W120 PolarHBondContact O-N 2.75Å; L118-W120 VanDerWaalsContact C-N 3.32Å; L118-W120 PolarHBondContact O-N 2.83Å; W120-R122 PolarHBondContact O-N 3.15Å; W120-Y123 PolarHBondContact O-N 2.87Å; W120-C124 HydrophobicContact CD2-CB 4.19Å; W120-C124 HydrophobicContact CZ2-CB 4.44Å; W120-C124 WeakPolarHBondContact CZ3-SG 3.22Å; W120-C124 VanDerWaalsContact O-CB 3.25Å; W120-C124 WeakPolarHBondContact O-CB 3.23Å; W120-C124 PolarHBondContact O-N 2.88Å; W120-T130 HydrophobicContact CH2-CG2 4.06Å; W120-T130 HydrophobicContact CZ2-CG2 3.52Å; W120-I133 HydrophobicContact CH2-CB 4.41Å; W120-I133 HydrophobicContact CZ3-CB 4.23Å; W120-I133 HydrophobicContact CZ3-CG2 4.01Å; W120-C134 HydrophobicContact CH2-CB 4.03Å; W120-C134 HydrophobicContact CZ2-CB 4.07Å; W120-Y137 HydrophobicContact CB-CD2 4.21Å; W120-Y137 HydrophobicContact CB-CE1 4.33Å; W120-Y137 HydrophobicContact CB-CE2 3.45Å; W120-Y137 VanDerWaalsContact CB-CE2 3.45Å; W120-Y137 VanDerWaalsContact CB-CZ 3.49Å; W120-Y137 WeakPolarHBondContact CB-OH 3.45Å; W120-Y137 AromaticContact CD1-CE1 3.56Å; W120-Y137 AromaticContact CD1-CZ 3.49Å; W120-Y137 VanDerWaalsContact CD1-CZ 3.49Å; W120-Y137 AromaticContact CD2-CD1 3.56Å; W120-Y137 HydrophobicContact CD2-CD1 3.56Å; W120-Y137 AromaticContact CD2-CD2 3.78Å; W120-Y137 HydrophobicContact CD2-CD2 3.78Å; W120-Y137 AromaticContact CD2-CE1 3.54Å; W120-Y137 HydrophobicContact CD2-CE1 3.54Å; W120-Y137 AromaticContact CD2-CE2 3.76Å; W120-Y137 HydrophobicContact CD2-CE2 3.76Å; W120-Y137 AromaticContact CD2-CG 3.66Å; W120-Y137 HydrophobicContact CD2-CG 3.66Å; W120-Y137 AromaticContact CD2-CZ 3.6Å; W120-Y137 AromaticContact CE2-CD1 3.51Å; W120-Y137 AromaticContact CE2-CE1 3.53Å; W120-Y137 AromaticContact CE3-CD1 3.83Å; W120-Y137 HydrophobicContact CE3-CD1 3.83Å; W120-Y137 AromaticContact CE3-CD2 3.57Å; W120-Y137 HydrophobicContact CE3-CD2 3.57Å; W120-Y137 HydrophobicContact CE3-CE1 4.23Å; W120-Y137 AromaticContact CE3-CE2 3.99Å; W120-Y137 HydrophobicContact CE3-CE2 3.99Å; W120-Y137 AromaticContact CE3-CG 3.45Å; W120-Y137 HydrophobicContact CE3-CG 3.45Å; W120-Y137 VanDerWaalsContact CE3-CG 3.45Å; W120-Y137 HydrophobicContact CG-CD1 4.11Å; W120-Y137 HydrophobicContact CG-CD2 4.1Å; W120-Y137 AromaticContact CG-CE1 3.57Å; W120-Y137 HydrophobicContact CG-CE1 3.57Å; W120-Y137 AromaticContact CG-CE2 3.55Å; W120-Y137 HydrophobicContact CG-CE2 3.55Å; W120-Y137 HydrophobicContact CG-CG 4.33Å; W120-Y137 AromaticContact CG-CZ 3.22Å; W120-Y137 HydrophobicContact CH2-CD1 4.08Å; W120-Y137 HydrophobicContact CH2-CG 4.13Å; W120-Y137 AromaticContact CZ2-CD1 3.77Å; W120-Y137 HydrophobicContact CZ2-CD1 3.77Å; W120-Y137 HydrophobicContact CZ2-CE1 4.22Å; W120-Y137 HydrophobicContact CZ2-CG 4.25Å; W120-Y137 HydrophobicContact CZ3-CD1 4.1Å; W120-Y137 HydrophobicContact CZ3-CD2 4.24Å; W120-Y137 AromaticContact CZ3-CG 3.72Å; W120-Y137 HydrophobicContact CZ3-CG 3.72Å; W120-Y137 AromaticContact NE1-CD1 3.98Å; W120-Y137 AromaticContact NE1-CE1 3.51Å; W120-Y137 AromaticContact NE1-CZ 3.95Å; W120-L946 HydrophobicContact CE3-CD2 4.07Å; W120-L946 HydrophobicContact CZ3-CD2 3.94Å
121K83.6Confident80.9Confident92 Ų9247 Ų4740%0.425%0.247SC..Hα-helixtrans-59.8-30.3177.4-158.471.3166.9-177.40112.9L117 L118 E728 N731L117-K121 WeakPolarHBondContact O-CB 3.21Å; L117-K121 PolarHBondContact O-N 2.71Å; L118-K121 PolarHBondContact O-N 3.43Å; K121-E728 IonicContact NZ-OE2 3.12Å; K121-E728 PolarHBondContact NZ-OE2 3.09Å; K121-N731 HydrophobicContact CG-CB 4.47Å
122R81Confident80.7Confident26 Ų2648.3 Ų48.310%0.09826%0.26CS..Hα-helixtrans-83.4-23.7-176.3-176.8172.1161.8132.52.2115.1L118 R119 W120 F125 D734 F735 N935L118-R122 WeakPolarHBondContact O-CB 3.35Å; L118-R122 PolarHBondContact O-N 3.03Å; R119-R122 PolarHBondContact O-N 3.28Å; W120-R122 PolarHBondContact O-N 3.15Å; R122-F125 WeakPolarHBondContact O-CE2 3.35Å; R122-F125 VanDerWaalsContact O-CZ 3.31Å; R122-F125 WeakPolarHBondContact O-CZ 3.47Å; R122-D734 PolarHBondContact NH1-O 3.12Å; R122-F735 HydrophobicContact CG-CD1 4.27Å; R122-F735 HydrophobicContact CG-CE1 3.68Å; R122-F735 HydrophobicContact CG-CZ 4.33Å; R122-N935 PolarHBondContact NH2-O 3.39Å
123Y80.1Confident80.5Confident62 Ų6248.5 Ų48.524%0.24326%0.261CS..Hα-helixtrans-123.3-19.9-175.2-65.2-79.4000115.2R119 W120 F125 I932 A933 P934 L946R119-Y123 HydrophobicContact CG-CD2 3.83Å; R119-Y123 HydrophobicContact CG-CE2 4.06Å; R119-Y123 VanDerWaalsContact O-CD2 3.3Å; R119-Y123 WeakPolarHBondContact O-CD2 3.5Å; R119-Y123 PolarHBondContact O-N 2.76Å; W120-Y123 PolarHBondContact O-N 2.87Å; Y123-F125 VanDerWaalsContact C-N 3.28Å; Y123-F125 PolarHBondContact O-N 3.14Å; Y123-I932 HydrophobicContact CD1-CB 4.32Å; Y123-I932 HydrophobicContact CD1-CG2 3.99Å; Y123-I932 HydrophobicContact CD2-CD1 3.9Å; Y123-I932 HydrophobicContact CE1-CB 4.31Å; Y123-I932 HydrophobicContact CE1-CG2 4.49Å; Y123-I932 HydrophobicContact CE2-CD1 3.82Å; Y123-I932 HydrophobicContact CG-CD1 4.45Å; Y123-I932 HydrophobicContact CG-CG2 4.06Å; Y123-A933 VanDerWaalsContact CZ-O 3.31Å; Y123-A933 PolarHBondContact OH-O 3.5Å; Y123-P934 WeakPolarHBondContact OH-CA 3.34Å; Y123-L946 HydrophobicContact CD2-CD1 4.37Å; Y123-L946 HydrophobicContact CG-CD1 4.44Å
124C76.4Confident80.4Confident29 Ų2950 Ų5020%0.19627%0.272CS..  trans-84.554.6-173.5-69.50000114.5W120 T130W120-C124 HydrophobicContact CD2-CB 4.19Å; W120-C124 HydrophobicContact CZ2-CB 4.44Å; W120-C124 WeakPolarHBondContact CZ3-SG 3.22Å; W120-C124 VanDerWaalsContact O-CB 3.25Å; W120-C124 WeakPolarHBondContact O-CB 3.23Å; W120-C124 PolarHBondContact O-N 2.88Å; C124-T130 HydrophobicContact CB-CG2 4.21Å; C124-T130 WeakPolarHBondContact CB-OG1 3.26Å; C124-T130 PolarHBondContact O-OG1 3.28Å
125F66.8Low80.5Confident155 Ų15551.6 Ų51.668%0.6829%0.287SS*.  trans-81.3-26-179.1-58.9-66.5000115R122 Y123 F735R122-F125 WeakPolarHBondContact O-CE2 3.35Å; R122-F125 VanDerWaalsContact O-CZ 3.31Å; R122-F125 WeakPolarHBondContact O-CZ 3.47Å; Y123-F125 VanDerWaalsContact C-N 3.28Å; Y123-F125 PolarHBondContact O-N 3.14Å; F125-F735 HydrophobicContact CZ-CE1 4.39Å
126S64.6Low80.5Confident56 Ų5653.5 Ų53.539%0.39229%0.294SS..SBendtrans-100.8126.6-179.7106.80000110.9S128 A129 T130S126-S128 VanDerWaalsContact C-N 3.29Å; S126-S128 PolarHBondContact O-N 2.75Å; S126-S128 PolarHBondContact OG-OG 2.73Å; S126-S128 VanDerWaalsContact OG-OG 3.12Å; S126-A129 PolarHBondContact O-N 2.71Å; S126-A129 WeakPolarHBondContact OG-CB 3.5Å; S126-A129 PolarHBondContact OG-N 2.83Å; S126-T130 WeakPolarHBondContact O-CB 3.39Å; S126-T130 PolarHBondContact O-N 2.73Å; S126-T130 PolarHBondContact O-OG1 2.89Å
127T70.9Confident80.5Confident106 Ų10654 Ų5465%0.6530%0.296SS*.Hα-helixtrans-53.7-44.1-179.141.90000112.5A129 T130 E131T127-A129 PolarHBondContact O-N 3.29Å; T127-T130 PolarHBondContact O-N 2.82Å; T127-E131 VanDerWaalsContact O-CB 3.29Å; T127-E131 WeakPolarHBondContact O-CB 3.38Å; T127-E131 WeakPolarHBondContact O-CG 3.35Å; T127-E131 PolarHBondContact O-N 2.98Å
128S75.3Confident80.6Confident81 Ų8158.3 Ų58.357%0.56632%0.319SS*.Hα-helixtrans-59.4-41.1178.851.80000114.8S126 S132S126-S128 VanDerWaalsContact C-N 3.29Å; S126-S128 PolarHBondContact O-N 2.75Å; S126-S128 PolarHBondContact OG-OG 2.73Å; S126-S128 VanDerWaalsContact OG-OG 3.12Å; S128-S132 PolarHBondContact O-N 3.5Å
129A70.3Confident80.8Confident37 Ų3761.7 Ų61.731%0.30634%0.337SS..Hα-helixtrans-72.4-46.2176.600000110.2S126 T127 S132S126-A129 PolarHBondContact O-N 2.71Å; S126-A129 WeakPolarHBondContact OG-CB 3.5Å; S126-A129 PolarHBondContact OG-N 2.83Å; T127-A129 PolarHBondContact O-N 3.29Å; A129-S132 PolarHBondContact O-N 2.69Å; A129-S132 PolarHBondContact O-OG 2.76Å
130T76.7Confident80.9Confident30 Ų3061.2 Ų61.218%0.18434%0.335CS..Hα-helixtrans-55.4-53.1177.5-56.20000111.4W120 C124 S126 T127 S132 I133 C134W120-T130 HydrophobicContact CH2-CG2 4.06Å; W120-T130 HydrophobicContact CZ2-CG2 3.52Å; C124-T130 HydrophobicContact CB-CG2 4.21Å; C124-T130 WeakPolarHBondContact CB-OG1 3.26Å; C124-T130 PolarHBondContact O-OG1 3.28Å; S126-T130 WeakPolarHBondContact O-CB 3.39Å; S126-T130 PolarHBondContact O-N 2.73Å; S126-T130 PolarHBondContact O-OG1 2.89Å; T127-T130 PolarHBondContact O-N 2.82Å; T130-S132 VanDerWaalsContact C-N 3.27Å; T130-S132 PolarHBondContact O-N 2.84Å; T130-I133 PolarHBondContact O-N 2.93Å; T130-C134 WeakPolarHBondContact O-CA 3.12Å; T130-C134 WeakPolarHBondContact O-CB 3.16Å; T130-C134 PolarHBondContact O-N 3.39Å
131E81.3Confident81Confident137 Ų13760.1 Ų60.164%0.6433%0.332SS*.Hα-helixtrans-54.1-40.2177.7-75.5162.6-15400112.4T127 I133T127-E131 VanDerWaalsContact O-CB 3.29Å; T127-E131 WeakPolarHBondContact O-CB 3.38Å; T127-E131 WeakPolarHBondContact O-CG 3.35Å; T127-E131 PolarHBondContact O-N 2.98Å; E131-I133 VanDerWaalsContact C-N 3.27Å; E131-I133 PolarHBondContact O-N 3.44Å
132S82Confident81.2Confident65 Ų6561.3 Ų61.346%0.45534%0.339SS..Hα-helixtrans-72.7-13-176.275.30000115.5S128 A129 T130 K929S128-S132 PolarHBondContact O-N 3.5Å; A129-S132 PolarHBondContact O-N 2.69Å; A129-S132 PolarHBondContact O-OG 2.76Å; T130-S132 VanDerWaalsContact C-N 3.27Å; T130-S132 PolarHBondContact O-N 2.84Å; S132-K929 PolarHBondContact O-NZ 3.37Å
133I85.1Confident81.5Confident4 Ų462.8 Ų62.82%0.02135%0.347CS..Hα-helixtrans-126-16.1-177.3-55.7173000111.9W120 T130 E131 S135 E136 Y137 K929 C930 L946 L947W120-I133 HydrophobicContact CH2-CB 4.41Å; W120-I133 HydrophobicContact CZ3-CB 4.23Å; W120-I133 HydrophobicContact CZ3-CG2 4.01Å; T130-I133 PolarHBondContact O-N 2.93Å; E131-I133 VanDerWaalsContact C-N 3.27Å; E131-I133 PolarHBondContact O-N 3.44Å; I133-S135 VanDerWaalsContact C-N 3.31Å; I133-S135 PolarHBondContact O-N 3.31Å; I133-E136 PolarHBondContact O-N 2.93Å; I133-Y137 PolarHBondContact O-N 3.46Å; I133-K929 HydrophobicContact CD1-CB 3.91Å; I133-K929 HydrophobicContact CG1-CB 4.17Å; I133-K929 HydrophobicContact CG1-CD 4.08Å; I133-C930 HydrophobicContact CD1-CB 3.46Å; I133-C930 VanDerWaalsContact CD1-CB 3.46Å; I133-L946 HydrophobicContact CD1-CD2 4.05Å; I133-L946 HydrophobicContact CG2-CD2 4.32Å; I133-L947 HydrophobicContact CG2-CD1 3.89Å; I133-L947 HydrophobicContact CG2-CG 4.36Å
134C86.8Confident81.9Confident42 Ų4259.9 Ų59.928%0.28434%0.336SS..Hα-helixtrans-55.1-41.4-173.7-173.90000113.3W120 T130 E136 Y137 L138W120-C134 HydrophobicContact CH2-CB 4.03Å; W120-C134 HydrophobicContact CZ2-CB 4.07Å; T130-C134 WeakPolarHBondContact O-CA 3.12Å; T130-C134 WeakPolarHBondContact O-CB 3.16Å; T130-C134 PolarHBondContact O-N 3.39Å; C134-E136 PolarHBondContact O-N 3.1Å; C134-Y137 PolarHBondContact O-N 2.75Å; C134-L138 WeakPolarHBondContact O-CB 3.25Å; C134-L138 VanDerWaalsContact O-CG 3.27Å; C134-L138 WeakPolarHBondContact O-CG 3.46Å; C134-L138 PolarHBondContact O-N 2.86Å
135S87.1Confident82.5Confident70 Ų7060 Ų6049%0.4934%0.336SS..Hα-helixtrans-61.6-43.2175.951.20000112.7I133 N139I133-S135 VanDerWaalsContact C-N 3.31Å; I133-S135 PolarHBondContact O-N 3.31Å; S135-N139 VanDerWaalsContact O-CB 3.29Å; S135-N139 WeakPolarHBondContact O-CB 3.42Å; S135-N139 PolarHBondContact O-N 3.37Å; S135-N139 PolarHBondContact O-ND2 3.44Å; S135-N139 PolarHBondContact O-OD1 2.82Å
136E87.3Confident83.6Confident58 Ų5856.1 Ų56.127%0.27132%0.322SS..Hα-helixtrans-71-37.5178-74.7164.8-176.900112.1I133 C134 K140 I927 K929 L947I133-E136 PolarHBondContact O-N 2.93Å; C134-E136 PolarHBondContact O-N 3.1Å; E136-K140 VanDerWaalsContact O-CB 3.29Å; E136-K140 WeakPolarHBondContact O-CB 3.4Å; E136-K140 PolarHBondContact O-N 3.35Å; E136-I927 HydrophobicContact CB-CD1 4.42Å; E136-K929 IonicContact OE1-NZ 2.68Å; E136-K929 PolarHBondContact OE1-NZ 3.29Å; E136-K929 WeakPolarHBondContact OE2-CD 3.21Å; E136-K929 VanDerWaalsContact OE2-CE 3.29Å; E136-K929 WeakPolarHBondContact OE2-CE 3.29Å; E136-K929 IonicContact OE2-NZ 3.24Å; E136-K929 PolarHBondContact OE2-NZ 2.89Å; E136-L947 HydrophobicContact CB-CD1 4.39Å
137Y89.5Confident84.8Confident11 Ų1154.2 Ų54.24%0.04331%0.307CS..Hα-helixtrans-63.3-48.7172.9165.2-107.5000112.2H116 L117 W120 I133 C134 N139 K140 L141 L947H116-Y137 HydrophobicContact CB-CE2 4.5Å; L117-Y137 VanDerWaalsContact CD2-OH 3.24Å; L117-Y137 WeakPolarHBondContact CD2-OH 3.03Å; W120-Y137 HydrophobicContact CB-CD2 4.21Å; W120-Y137 HydrophobicContact CB-CE1 4.33Å; W120-Y137 HydrophobicContact CB-CE2 3.45Å; W120-Y137 VanDerWaalsContact CB-CE2 3.45Å; W120-Y137 VanDerWaalsContact CB-CZ 3.49Å; W120-Y137 WeakPolarHBondContact CB-OH 3.45Å; W120-Y137 AromaticContact CD1-CE1 3.56Å; W120-Y137 AromaticContact CD1-CZ 3.49Å; W120-Y137 VanDerWaalsContact CD1-CZ 3.49Å; W120-Y137 AromaticContact CD2-CD1 3.56Å; W120-Y137 HydrophobicContact CD2-CD1 3.56Å; W120-Y137 AromaticContact CD2-CD2 3.78Å; W120-Y137 HydrophobicContact CD2-CD2 3.78Å; W120-Y137 AromaticContact CD2-CE1 3.54Å; W120-Y137 HydrophobicContact CD2-CE1 3.54Å; W120-Y137 AromaticContact CD2-CE2 3.76Å; W120-Y137 HydrophobicContact CD2-CE2 3.76Å; W120-Y137 AromaticContact CD2-CG 3.66Å; W120-Y137 HydrophobicContact CD2-CG 3.66Å; W120-Y137 AromaticContact CD2-CZ 3.6Å; W120-Y137 AromaticContact CE2-CD1 3.51Å; W120-Y137 AromaticContact CE2-CE1 3.53Å; W120-Y137 AromaticContact CE3-CD1 3.83Å; W120-Y137 HydrophobicContact CE3-CD1 3.83Å; W120-Y137 AromaticContact CE3-CD2 3.57Å; W120-Y137 HydrophobicContact CE3-CD2 3.57Å; W120-Y137 HydrophobicContact CE3-CE1 4.23Å; W120-Y137 AromaticContact CE3-CE2 3.99Å; W120-Y137 HydrophobicContact CE3-CE2 3.99Å; W120-Y137 AromaticContact CE3-CG 3.45Å; W120-Y137 HydrophobicContact CE3-CG 3.45Å; W120-Y137 VanDerWaalsContact CE3-CG 3.45Å; W120-Y137 HydrophobicContact CG-CD1 4.11Å; W120-Y137 HydrophobicContact CG-CD2 4.1Å; W120-Y137 AromaticContact CG-CE1 3.57Å; W120-Y137 HydrophobicContact CG-CE1 3.57Å; W120-Y137 AromaticContact CG-CE2 3.55Å; W120-Y137 HydrophobicContact CG-CE2 3.55Å; W120-Y137 HydrophobicContact CG-CG 4.33Å; W120-Y137 AromaticContact CG-CZ 3.22Å; W120-Y137 HydrophobicContact CH2-CD1 4.08Å; W120-Y137 HydrophobicContact CH2-CG 4.13Å; W120-Y137 AromaticContact CZ2-CD1 3.77Å; W120-Y137 HydrophobicContact CZ2-CD1 3.77Å; W120-Y137 HydrophobicContact CZ2-CE1 4.22Å; W120-Y137 HydrophobicContact CZ2-CG 4.25Å; W120-Y137 HydrophobicContact CZ3-CD1 4.1Å; W120-Y137 HydrophobicContact CZ3-CD2 4.24Å; W120-Y137 AromaticContact CZ3-CG 3.72Å; W120-Y137 HydrophobicContact CZ3-CG 3.72Å; W120-Y137 AromaticContact NE1-CD1 3.98Å; W120-Y137 AromaticContact NE1-CE1 3.51Å; W120-Y137 AromaticContact NE1-CZ 3.95Å; I133-Y137 PolarHBondContact O-N 3.46Å; C134-Y137 PolarHBondContact O-N 2.75Å; Y137-N139 PolarHBondContact O-N 3Å; Y137-K140 WeakPolarHBondContact O-CB 3.4Å; Y137-K140 PolarHBondContact O-N 3.4Å; Y137-K140 VanDerWaalsContact O-N 3.13Å; Y137-L141 HydrophobicContact CD1-CD1 4.36Å; Y137-L141 HydrophobicContact CD2-CG 4.37Å; Y137-L141 HydrophobicContact CE1-CD1 3.74Å; Y137-L141 HydrophobicContact CE2-CD1 3.92Å; Y137-L141 HydrophobicContact CE2-CD2 4.23Å; Y137-L141 HydrophobicContact CE2-CG 4.03Å; Y137-L141 WeakPolarHBondContact O-CG 3.13Å; Y137-L141 PolarHBondContact O-N 3.39Å; Y137-L947 HydrophobicContact CD2-CD2 3.9Å
138L90.2Very high85.6Confident94 Ų9449.2 Ų49.249%0.49228%0.276SS..Hα-helixtrans-63.2-42.6177-69.9173.7000111.4C134 K140 L141 Q142C134-L138 WeakPolarHBondContact O-CB 3.25Å; C134-L138 VanDerWaalsContact O-CG 3.27Å; C134-L138 WeakPolarHBondContact O-CG 3.46Å; C134-L138 PolarHBondContact O-N 2.86Å; L138-K140 VanDerWaalsContact C-N 3.3Å; L138-K140 PolarHBondContact O-N 2.9Å; L138-L141 PolarHBondContact O-N 3.24Å; L138-Q142 WeakPolarHBondContact O-CB 3.05Å; L138-Q142 PolarHBondContact O-N 2.86Å
139N88.9Confident86.2Confident86 Ų8649.6 Ų49.646%0.4627%0.271SS..Hα-helixtrans-59.3-40.3172.1-71.8-15.1000111.7S135 Y137 Q142 Q143S135-N139 VanDerWaalsContact O-CB 3.29Å; S135-N139 WeakPolarHBondContact O-CB 3.42Å; S135-N139 PolarHBondContact O-N 3.37Å; S135-N139 PolarHBondContact O-ND2 3.44Å; S135-N139 PolarHBondContact O-OD1 2.82Å; Y137-N139 PolarHBondContact O-N 3Å; N139-Q142 PolarHBondContact O-N 3.15Å; N139-Q143 WeakPolarHBondContact O-CB 3.39Å; N139-Q143 VanDerWaalsContact O-CG 3.25Å; N139-Q143 WeakPolarHBondContact O-CG 2.99Å; N139-Q143 PolarHBondContact O-N 2.92Å
140K87.9Confident87Confident8 Ų849.9 Ų49.94%0.03527%0.268CS..Hα-helixtrans-65.3-44.2176.9-169.363-105.3166.40111.6E136 Y137 L138 Q143 L144 P924E136-K140 VanDerWaalsContact O-CB 3.29Å; E136-K140 WeakPolarHBondContact O-CB 3.4Å; E136-K140 PolarHBondContact O-N 3.35Å; Y137-K140 WeakPolarHBondContact O-CB 3.4Å; Y137-K140 PolarHBondContact O-N 3.4Å; Y137-K140 VanDerWaalsContact O-N 3.13Å; L138-K140 VanDerWaalsContact C-N 3.3Å; L138-K140 PolarHBondContact O-N 2.9Å; K140-Q143 PolarHBondContact O-N 3.21Å; K140-L144 HydrophobicContact CG-CD1 4.44Å; K140-L144 VanDerWaalsContact O-CG 3.26Å; K140-L144 WeakPolarHBondContact O-CG 3.26Å; K140-L144 PolarHBondContact O-N 2.89Å; K140-P924 HydrophobicContact CD-CB 4.29Å
141L88.9Confident87.6Confident14 Ų1448.6 Ų48.67%0.07326%0.26CS..Hα-helixtrans-62.6-40.8174.4-68.7-178.4000112.4K113 H116 L117 Y137 L138 L144 T145K113-L141 HydrophobicContact CG-CD2 4.07Å; H116-L141 HydrophobicContact CB-CD2 4.16Å; L117-L141 HydrophobicContact CD2-CD1 3.75Å; L117-L141 HydrophobicContact CD2-CD2 3.84Å; L117-L141 HydrophobicContact CD2-CG 4.48Å; L117-L141 HydrophobicContact CG-CD2 4.4Å; Y137-L141 HydrophobicContact CD1-CD1 4.36Å; Y137-L141 HydrophobicContact CD2-CG 4.37Å; Y137-L141 HydrophobicContact CE1-CD1 3.74Å; Y137-L141 HydrophobicContact CE2-CD1 3.92Å; Y137-L141 HydrophobicContact CE2-CD2 4.23Å; Y137-L141 HydrophobicContact CE2-CG 4.03Å; Y137-L141 WeakPolarHBondContact O-CG 3.13Å; Y137-L141 PolarHBondContact O-N 3.39Å; L138-L141 PolarHBondContact O-N 3.24Å; L141-L144 PolarHBondContact O-N 2.74Å; L141-T145 WeakPolarHBondContact O-CB 2.98Å; L141-T145 PolarHBondContact O-N 2.75Å; L141-T145 PolarHBondContact O-OG1 2.85Å
142Q88.9Confident87.8Confident116 Ų11642.3 Ų42.354%0.54223%0.231SC..Hα-helixtrans-64.3-45.4176.7-168.3-178.115.500111.2L138 N139 L144 T145 N146L138-Q142 WeakPolarHBondContact O-CB 3.05Å; L138-Q142 PolarHBondContact O-N 2.86Å; N139-Q142 PolarHBondContact O-N 3.15Å; Q142-L144 PolarHBondContact O-N 3.18Å; Q142-T145 PolarHBondContact O-N 3.46Å; Q142-N146 WeakPolarHBondContact O-CB 3Å; Q142-N146 PolarHBondContact O-N 3.49Å; Q142-N146 PolarHBondContact O-OD1 2.76Å
143Q87Confident87.9Confident58 Ų5842 Ų4227%0.27123%0.229SC..Hα-helixtrans-56.1-47.8174.2-74167.89.900112.1N139 K140 T145 N146 E147N139-Q143 WeakPolarHBondContact O-CB 3.39Å; N139-Q143 VanDerWaalsContact O-CG 3.25Å; N139-Q143 WeakPolarHBondContact O-CG 2.99Å; N139-Q143 PolarHBondContact O-N 2.92Å; K140-Q143 PolarHBondContact O-N 3.21Å; Q143-T145 VanDerWaalsContact C-N 3.31Å; Q143-T145 PolarHBondContact O-N 2.82Å; Q143-N146 PolarHBondContact O-N 3.33Å; Q143-E147 WeakPolarHBondContact O-CB 3.37Å; Q143-E147 PolarHBondContact O-N 2.83Å
144L88.6Confident88.1Confident1 Ų142.5 Ų42.51%0.00523%0.231CC..Hα-helixtrans-64.8-35.5179.3-66.7169.6000112.5M109 L112 H116 K140 L141 Q142 Y148M109-L144 HydrophobicContact CE-CD2 4.36Å; M109-L144 HydrophobicContact SD-CD2 3.51Å; M109-L144 VanDerWaalsContact SD-CD2 3.51Å; L112-L144 HydrophobicContact CD2-CD1 4.39Å; L112-L144 HydrophobicContact CD2-CD2 3.49Å; L112-L144 VanDerWaalsContact CD2-CD2 3.49Å; L112-L144 HydrophobicContact CG-CD1 4.06Å; L112-L144 HydrophobicContact CG-CD2 4Å; H116-L144 VanDerWaalsContact CD2-CD1 3.47Å; H116-L144 WeakPolarHBondContact CD2-CD1 3.4Å; K140-L144 HydrophobicContact CG-CD1 4.44Å; K140-L144 VanDerWaalsContact O-CG 3.26Å; K140-L144 WeakPolarHBondContact O-CG 3.26Å; K140-L144 PolarHBondContact O-N 2.89Å; L141-L144 PolarHBondContact O-N 2.74Å; Q142-L144 PolarHBondContact O-N 3.18Å; L144-Y148 WeakPolarHBondContact O-CB 3.42Å; L144-Y148 PolarHBondContact O-N 2.75Å
145T88.3Confident88.1Confident31 Ų3140.9 Ų40.919%0.1922%0.221CC..Hα-helixtrans-70.5-40176.7-50.70000111.1L141 Q142 Q143 Y148 L149 M724L141-T145 WeakPolarHBondContact O-CB 2.98Å; L141-T145 PolarHBondContact O-N 2.75Å; L141-T145 PolarHBondContact O-OG1 2.85Å; Q142-T145 PolarHBondContact O-N 3.46Å; Q143-T145 VanDerWaalsContact C-N 3.31Å; Q143-T145 PolarHBondContact O-N 2.82Å; T145-Y148 PolarHBondContact O-N 3.26Å; T145-L149 HydrophobicContact CG2-CD1 4.36Å; T145-L149 VanDerWaalsContact O-CG 3.29Å; T145-L149 WeakPolarHBondContact O-CG 3.31Å; T145-L149 PolarHBondContact O-N 2.73Å; T145-M724 HydrophobicContact CG2-CE 4.42Å
146N89.6Confident87.7Confident73 Ų7343 Ų4339%0.3922%0.218SC..Hα-helixtrans-65.7-44.2174.6-66.3-8.9000112Q142 Q143 L149 D150 Y920Q142-N146 WeakPolarHBondContact O-CB 3Å; Q142-N146 PolarHBondContact O-N 3.49Å; Q142-N146 PolarHBondContact O-OD1 2.76Å; Q143-N146 PolarHBondContact O-N 3.33Å; N146-L149 PolarHBondContact O-N 3.49Å; N146-D150 WeakPolarHBondContact O-CB 2.91Å; N146-D150 PolarHBondContact O-N 2.76Å; N146-Y920 WeakPolarHBondContact CB-OH 3.33Å
147E89.7Confident87.7Confident17 Ų1744.1 Ų44.18%0.07922%0.22CC..Hα-helixtrans-65.2-37.8177.4-171.9173.6176.400111.8R105 M109 Q143 D150 A151 Y920R105-E147 IonicContact CZ-OE1 2.76Å; R105-E147 IonicContact NE-OE1 2.74Å; R105-E147 PolarHBondContact NE-OE1 3.39Å; R105-E147 IonicContact NH2-OE1 3.89Å; R105-E147 PolarHBondContact NH2-OE1 2.95Å; R105-E147 IonicContact NH2-OE2 3.17Å; M109-E147 HydrophobicContact CG-CG 4.37Å; M109-E147 HydrophobicContact SD-CB 4.36Å; M109-E147 HydrophobicContact SD-CG 4.21Å; Q143-E147 WeakPolarHBondContact O-CB 3.37Å; Q143-E147 PolarHBondContact O-N 2.83Å; E147-D150 PolarHBondContact O-N 3.43Å; E147-A151 VanDerWaalsContact O-CB 3.28Å; E147-A151 WeakPolarHBondContact O-CB 3.5Å; E147-A151 PolarHBondContact O-N 2.9Å; E147-Y920 HydrophobicContact CB-CD1 3.9Å; E147-Y920 HydrophobicContact CB-CE1 3.73Å; E147-Y920 HydrophobicContact CG-CD1 3.75Å; E147-Y920 HydrophobicContact CG-CE1 4.11Å; E147-Y920 HydrophobicContact CG-CG 4.13Å
148Y88.4Confident87.6Confident1 Ų143.6 Ų43.60%0.00422%0.218CC..Hα-helixtrans-63.4-44.8173173.5-96.3000112.7M106 M109 V110 L144 T145 A151 S152 L721 M724M106-Y148 HydrophobicContact CB-CD2 4.09Å; M106-Y148 HydrophobicContact CB-CE2 3.88Å; M106-Y148 HydrophobicContact CE-CE2 3.96Å; M106-Y148 HydrophobicContact CG-CD2 4.33Å; M106-Y148 HydrophobicContact CG-CE2 4.21Å; M109-Y148 HydrophobicContact CB-CD2 4.33Å; V110-Y148 HydrophobicContact CG2-CD2 3.92Å; V110-Y148 HydrophobicContact CG2-CE2 3.54Å; L144-Y148 WeakPolarHBondContact O-CB 3.42Å; L144-Y148 PolarHBondContact O-N 2.75Å; T145-Y148 PolarHBondContact O-N 3.26Å; Y148-A151 PolarHBondContact O-N 3.24Å; Y148-S152 WeakPolarHBondContact O-CB 3.37Å; Y148-S152 PolarHBondContact O-N 3.2Å; Y148-L721 HydrophobicContact CE1-CB 4.32Å; Y148-L721 HydrophobicContact CE1-CD1 4.05Å; Y148-L721 HydrophobicContact CE1-CG 4.14Å; Y148-L721 PolarHBondContact OH-N 3.33Å; Y148-M724 HydrophobicContact CD1-CB 4.06Å; Y148-M724 HydrophobicContact CD1-CE 4.18Å; Y148-M724 HydrophobicContact CD1-CG 3.7Å; Y148-M724 HydrophobicContact CD2-CE 4.47Å; Y148-M724 HydrophobicContact CD2-CG 4.11Å; Y148-M724 HydrophobicContact CE1-CB 4.01Å; Y148-M724 HydrophobicContact CE1-CG 3.71Å; Y148-M724 HydrophobicContact CE2-CG 4.13Å; Y148-M724 HydrophobicContact CG-CE 3.84Å; Y148-M724 HydrophobicContact CG-CG 3.91Å; Y148-M724 HydrophobicContact CG-SD 4.4Å
149L86.9Confident87.2Confident88 Ų8840.2 Ų40.246%0.46120%0.203SC..Hα-helixtrans-66.2-38.1178.4-71170.9000111.8T145 N146 S153T145-L149 HydrophobicContact CG2-CD1 4.36Å; T145-L149 VanDerWaalsContact O-CG 3.29Å; T145-L149 WeakPolarHBondContact O-CG 3.31Å; T145-L149 PolarHBondContact O-N 2.73Å; N146-L149 PolarHBondContact O-N 3.49Å; L149-S153 WeakPolarHBondContact O-CB 3.43Å; L149-S153 PolarHBondContact O-N 3.43Å
150D88.9Confident86.9Confident44 Ų4437 Ų3724%0.23519%0.187CC..Hα-helixtrans-65.3-50173.8-176.155.9000111.8N146 E147 S152 S153 R154 Y920N146-D150 WeakPolarHBondContact O-CB 2.91Å; N146-D150 PolarHBondContact O-N 2.76Å; E147-D150 PolarHBondContact O-N 3.43Å; D150-S152 VanDerWaalsContact C-N 3.31Å; D150-S152 PolarHBondContact O-N 2.75Å; D150-S153 WeakPolarHBondContact O-CB 3.07Å; D150-S153 PolarHBondContact O-N 2.83Å; D150-S153 VanDerWaalsContact O-N 3.14Å; D150-R154 VanDerWaalsContact CG-NE 3.29Å; D150-R154 WeakPolarHBondContact O-CG 3.46Å; D150-R154 PolarHBondContact O-N 2.83Å; D150-R154 IonicContact OD1-CZ 3.19Å; D150-R154 IonicContact OD1-NE 2.75Å; D150-R154 PolarHBondContact OD1-NE 3.21Å; D150-R154 IonicContact OD1-NH2 3.49Å; D150-R154 PolarHBondContact OD1-NH2 3.35Å; D150-R154 IonicContact OD2-CZ 3.46Å; D150-R154 IonicContact OD2-NE 3.89Å; D150-R154 PolarHBondContact OD2-NE 2.82Å; D150-R154 IonicContact OD2-NH2 3.01Å; D150-R154 PolarHBondContact OD2-NH2 2.77Å; D150-Y920 HydrophobicContact CB-CD2 4.45Å; D150-Y920 HydrophobicContact CB-CE2 3.94Å; D150-Y920 VanDerWaalsContact OD2-CD2 3.29Å; D150-Y920 WeakPolarHBondContact OD2-CD2 3.35Å; D150-Y920 WeakPolarHBondContact OD2-CE2 3.49Å
151A89Confident86.5Confident2 Ų236.6 Ų36.62%0.01719%0.186CC..Hα-helixtrans-59.2-39.8175.100000112.3F102 M106 E147 Y148 R154 A155F102-A151 HydrophobicContact CB-CB 4.49Å; F102-A151 HydrophobicContact CD1-CB 4.08Å; M106-A151 HydrophobicContact CG-CB 4.06Å; E147-A151 VanDerWaalsContact O-CB 3.28Å; E147-A151 WeakPolarHBondContact O-CB 3.5Å; E147-A151 PolarHBondContact O-N 2.9Å; Y148-A151 PolarHBondContact O-N 3.24Å; A151-R154 PolarHBondContact O-N 2.72Å; A151-A155 VanDerWaalsContact O-CB 3.27Å; A151-A155 WeakPolarHBondContact O-CB 3.09Å; A151-A155 PolarHBondContact O-N 3.41Å
152S84.9Confident85.9Confident5 Ų537 Ų374%0.03519%0.188CC..Hα-helixtrans-61.8-44174.1-172.70000112.1Y148 D150 R156Y148-S152 WeakPolarHBondContact O-CB 3.37Å; Y148-S152 PolarHBondContact O-N 3.2Å; D150-S152 VanDerWaalsContact C-N 3.31Å; D150-S152 PolarHBondContact O-N 2.75Å; S152-R156 WeakPolarHBondContact O-CB 3.03Å; S152-R156 PolarHBondContact O-N 3.03Å
153S84.1Confident85.3Confident60 Ų6033.7 Ų33.742%0.4217%0.173SC..Hα-helixtrans-62.7-43.9176.1-1690000112.3L149 D150 R157L149-S153 WeakPolarHBondContact O-CB 3.43Å; L149-S153 PolarHBondContact O-N 3.43Å; D150-S153 WeakPolarHBondContact O-CB 3.07Å; D150-S153 PolarHBondContact O-N 2.83Å; D150-S153 VanDerWaalsContact O-N 3.14Å; S153-R157 PolarHBondContact O-N 3.23Å; S153-R157 VanDerWaalsContact O-N 3.1Å
154R89.9Confident84.8Confident14 Ų1431.1 Ų31.15%0.05316%0.162CC..Hα-helixtrans-68-46177.2-65.2173.7-162.8-1037.8112.4F102 D150 A151 R156 R157 L158 D179 D180F102-R154 HydrophobicContact CB-CB 4.5Å; F102-R154 HydrophobicContact CD1-CB 4.17Å; F102-R154 HydrophobicContact CD2-CB 3.84Å; F102-R154 HydrophobicContact CE1-CB 4.42Å; F102-R154 HydrophobicContact CE2-CB 4.13Å; F102-R154 HydrophobicContact CG-CB 3.89Å; F102-R154 HydrophobicContact CZ-CB 4.42Å; D150-R154 VanDerWaalsContact CG-NE 3.29Å; D150-R154 WeakPolarHBondContact O-CG 3.46Å; D150-R154 PolarHBondContact O-N 2.83Å; D150-R154 IonicContact OD1-CZ 3.19Å; D150-R154 IonicContact OD1-NE 2.75Å; D150-R154 PolarHBondContact OD1-NE 3.21Å; D150-R154 IonicContact OD1-NH2 3.49Å; D150-R154 PolarHBondContact OD1-NH2 3.35Å; D150-R154 IonicContact OD2-CZ 3.46Å; D150-R154 IonicContact OD2-NE 3.89Å; D150-R154 PolarHBondContact OD2-NE 2.82Å; D150-R154 IonicContact OD2-NH2 3.01Å; D150-R154 PolarHBondContact OD2-NH2 2.77Å; A151-R154 PolarHBondContact O-N 2.72Å; R154-R156 VanDerWaalsContact C-N 3.32Å; R154-R156 PolarHBondContact O-N 3.16Å; R154-R157 PolarHBondContact O-N 2.79Å; R154-R157 VanDerWaalsContact O-N 3.17Å; R154-L158 WeakPolarHBondContact O-CB 3.35Å; R154-L158 VanDerWaalsContact O-CG 3.32Å; R154-L158 WeakPolarHBondContact O-CG 3.23Å; R154-L158 PolarHBondContact O-N 3.05Å; R154-D179 IonicContact CZ-OD2 3.47Å; R154-D179 IonicContact NH1-OD2 2.63Å; R154-D179 PolarHBondContact NH1-OD2 3.05Å; R154-D179 IonicContact NH2-OD2 2.78Å; R154-D179 PolarHBondContact NH2-OD2 3.24Å; R154-D180 VanDerWaalsContact CD-OD1 3.29Å; R154-D180 WeakPolarHBondContact CD-OD1 3.13Å; R154-D180 WeakPolarHBondContact CG-OD1 3.37Å; R154-D180 IonicContact CZ-OD1 2.97Å; R154-D180 IonicContact NE-OD1 3.14Å; R154-D180 IonicContact NH1-OD1 2.75Å; R154-D180 PolarHBondContact NH1-OD1 3.49Å
155A86.3Confident84.2Confident8 Ų832 Ų327%0.06617%0.167CC..Hα-helixtrans-57.2-46.5176.200000110.9H99 F102 I103 M106 A151 R157 L158 A159H99-A155 PolarHBondContact CD2-O 2.73Å; F102-A155 HydrophobicContact CB-CB 4Å; I103-A155 HydrophobicContact CG1-CB 4.18Å; M106-A155 HydrophobicContact SD-CB 4.17Å; A151-A155 VanDerWaalsContact O-CB 3.27Å; A151-A155 WeakPolarHBondContact O-CB 3.09Å; A151-A155 PolarHBondContact O-N 3.41Å; A155-R157 PolarHBondContact O-N 2.76Å; A155-L158 PolarHBondContact O-N 3.44Å; A155-A159 PolarHBondContact O-N 3.4Å; A155-A159 VanDerWaalsContact O-N 3.07Å
156R79.5Confident83.4Confident114 Ų11432.9 Ų32.943%0.4317%0.17SC..Hα-helixtrans-58-43.3175-176.8-170.5-65.6144.7-4.1112.8S152 R154 Q714S152-R156 WeakPolarHBondContact O-CB 3.03Å; S152-R156 PolarHBondContact O-N 3.03Å; R154-R156 VanDerWaalsContact C-N 3.32Å; R154-R156 PolarHBondContact O-N 3.16Å; R156-Q714 VanDerWaalsContact NH2-CD 3.31Å
157R86.6Confident82.7Confident82 Ų8232.1 Ų32.131%0.30917%0.174SC..Hα-helixtrans-65.8-41.2177.5-174.7177.466-114.1-6.6111.8S153 R154 A155 A159 S160 D175 T177 D180S153-R157 PolarHBondContact O-N 3.23Å; S153-R157 VanDerWaalsContact O-N 3.1Å; R154-R157 PolarHBondContact O-N 2.79Å; R154-R157 VanDerWaalsContact O-N 3.17Å; A155-R157 PolarHBondContact O-N 2.76Å; R157-A159 VanDerWaalsContact C-N 3.32Å; R157-A159 PolarHBondContact O-N 3.41Å; R157-S160 PolarHBondContact O-OG 2.79Å; R157-D175 WeakPolarHBondContact CD-O 3.43Å; R157-D175 HydrophobicContact CG-CB 4.1Å; R157-D175 PolarHBondContact NE-O 2.81Å; R157-T177 PolarHBondContact NH2-OG1 2.75Å; R157-D180 IonicContact CZ-OD2 2.75Å; R157-D180 IonicContact NH2-OD1 2.69Å; R157-D180 PolarHBondContact NH2-OD1 3.44Å; R157-D180 IonicContact NH2-OD2 3.51Å; R157-D180 PolarHBondContact NH2-OD2 2.89Å
158L87.5Confident81.8Confident0 Ų033.9 Ų33.90%020%0.196CC..Hα-helixtrans-80.8-7.5-175.5-65.9169.8000114.1L98 H99 F102 R154 A155 S160 T161 V176L98-L158 HydrophobicContact CB-CD1 3.96Å; H99-L158 HydrophobicContact CB-CB 3.97Å; F102-L158 HydrophobicContact CD2-CD1 3.77Å; F102-L158 HydrophobicContact CE2-CD1 4.02Å; R154-L158 WeakPolarHBondContact O-CB 3.35Å; R154-L158 VanDerWaalsContact O-CG 3.32Å; R154-L158 WeakPolarHBondContact O-CG 3.23Å; R154-L158 PolarHBondContact O-N 3.05Å; A155-L158 PolarHBondContact O-N 3.44Å; L158-S160 PolarHBondContact O-N 3.33Å; L158-S160 VanDerWaalsContact O-N 3.16Å; L158-T161 WeakPolarHBondContact O-CB 3.37Å; L158-T161 PolarHBondContact O-N 2.74Å; L158-T161 PolarHBondContact O-OG1 2.91Å; L158-T161 VanDerWaalsContact O-OG1 3.13Å; L158-V176 HydrophobicContact CD2-CB 4.41Å; L158-V176 HydrophobicContact CD2-CG2 3.8Å
159A82.2Confident81.1Confident22 Ų2237 Ų3718%0.18222%0.218CC..THydrogen-bonded Turntrans-60.3-23.4-179.200000114.3A155 R157 T161 T162 E163A155-A159 PolarHBondContact O-N 3.4Å; A155-A159 VanDerWaalsContact O-N 3.07Å; R157-A159 VanDerWaalsContact C-N 3.32Å; R157-A159 PolarHBondContact O-N 3.41Å; A159-T161 PolarHBondContact O-N 2.75Å; A159-T162 PolarHBondContact O-N 2.67Å; A159-T162 PolarHBondContact O-OG1 3.28Å; A159-E163 PolarHBondContact O-N 3.16Å; A159-E163 VanDerWaalsContact O-N 3.09Å
160S81.3Confident80Confident19 Ų1937.6 Ų37.613%0.13322%0.222CC..Hα-helixtrans-51-34.7167.452.10000112.6R157 L158 T162 E163 G164 D175R157-S160 PolarHBondContact O-OG 2.79Å; L158-S160 PolarHBondContact O-N 3.33Å; L158-S160 VanDerWaalsContact O-N 3.16Å; S160-T162 PolarHBondContact O-N 2.99Å; S160-E163 PolarHBondContact O-N 3.45Å; S160-G164 PolarHBondContact O-N 2.97Å; S160-D175 WeakPolarHBondContact CB-OD2 3.27Å; S160-D175 PolarHBondContact OG-OD2 3.37Å
161T80.4Confident78.9Confident0 Ų036.3 Ų36.30%022%0.216CC..Hα-helixtrans-59.5-47.2175-61.80000112.2P95 I96 L158 A159 E163 L165 C171P95-T161 HydrophobicContact CB-CG2 3.77Å; P95-T161 WeakPolarHBondContact CB-OG1 3.49Å; I96-T161 HydrophobicContact CB-CG2 4.15Å; I96-T161 HydrophobicContact CG1-CG2 3.59Å; L158-T161 WeakPolarHBondContact O-CB 3.37Å; L158-T161 PolarHBondContact O-N 2.74Å; L158-T161 PolarHBondContact O-OG1 2.91Å; L158-T161 VanDerWaalsContact O-OG1 3.13Å; A159-T161 PolarHBondContact O-N 2.75Å; T161-E163 VanDerWaalsContact C-N 3.34Å; T161-L165 WeakPolarHBondContact O-CB 3.44Å; T161-L165 PolarHBondContact O-N 2.68Å; T161-C171 HydrophobicContact CG2-CB 4.1Å
162T76.1Confident78Confident22 Ų2240 Ų4014%0.13524%0.236CC..Hα-helixtrans-70.2-31.6176.531.40000112.5H99 A159 S160 L165 L166H99-T162 PolarHBondContact CE1-OG1 3.46Å; H99-T162 WeakPolarHBondContact ND1-CG2 3.23Å; A159-T162 PolarHBondContact O-N 2.67Å; A159-T162 PolarHBondContact O-OG1 3.28Å; S160-T162 PolarHBondContact O-N 2.99Å; T162-L165 PolarHBondContact O-N 2.84Å; T162-L166 WeakPolarHBondContact O-CB 3.48Å; T162-L166 VanDerWaalsContact O-CG 3.3Å; T162-L166 WeakPolarHBondContact O-CG 3.05Å; T162-L166 PolarHBondContact O-N 3.25Å
163E75.2Confident77.7Confident46 Ų4640.1 Ų40.122%0.21524%0.236CC..Hα-helixtrans-68.2-41.8175.5-72.8172-145.200112.1K45 A159 S160 T161 L166 A167K45-E163 WeakPolarHBondContact CE-OE1 3.36Å; K45-E163 IonicContact NZ-OE1 2.69Å; K45-E163 PolarHBondContact NZ-OE1 3.01Å; K45-E163 IonicContact NZ-OE2 2.73Å; K45-E163 PolarHBondContact NZ-OE2 3.47Å; A159-E163 PolarHBondContact O-N 3.16Å; A159-E163 VanDerWaalsContact O-N 3.09Å; S160-E163 PolarHBondContact O-N 3.45Å; T161-E163 VanDerWaalsContact C-N 3.34Å; E163-L166 PolarHBondContact O-N 3.36Å; E163-A167 WeakPolarHBondContact O-CB 3.21Å; E163-A167 PolarHBondContact O-N 2.71Å
164G77.2Confident77.5Confident4 Ų440.8 Ų40.84%0.04123%0.233CC..Hα-helixtrans-66.2-41172.800000112.6S160 L166 A167 G168 S169S160-G164 PolarHBondContact O-N 2.97Å; G164-L166 VanDerWaalsContact C-N 3.32Å; G164-L166 PolarHBondContact O-N 2.91Å; G164-A167 CarbonylContact O-C 3.54Å; G164-A167 WeakPolarHBondContact O-CB 3.46Å; G164-A167 PolarHBondContact O-N 3.09Å; G164-A167 VanDerWaalsContact O-N 3.11Å; G164-G168 PolarHBondContact O-N 3.09Å; G164-S169 WeakPolarHBondContact CA-OG 3.47Å; G164-S169 PolarHBondContact O-N 2.71Å; G164-S169 PolarHBondContact O-OG 3.11Å
165L76.6Confident77.2Confident21 Ų2142.7 Ų42.711%0.1124%0.244CC..Hα-helixtrans-61.3-38.6174.6-177.262.3000112.7I96 T161 T162 G168 L1610I96-L165 HydrophobicContact CD1-CD2 4.49Å; T161-L165 WeakPolarHBondContact O-CB 3.44Å; T161-L165 PolarHBondContact O-N 2.68Å; T162-L165 PolarHBondContact O-N 2.84Å; L165-G168 PolarHBondContact O-N 3.44Å; L165-L1610 HydrophobicContact CD1-CD2 4.45Å; L165-L1610 HydrophobicContact CD2-CD1 4.2Å; L165-L1610 HydrophobicContact CD2-CD2 4.29Å; L165-L1610 HydrophobicContact CD2-CG 4.01Å
166L71.7Confident77.2Confident49 Ų4942.5 Ų42.526%0.25724%0.242SC..Hα-helixtrans-74-28.1172.8-73.6170.1000113.2C56 T162 E163 G164 P1609C56-L166 HydrophobicContact CB-CD2 4.47Å; T162-L166 WeakPolarHBondContact O-CB 3.48Å; T162-L166 VanDerWaalsContact O-CG 3.3Å; T162-L166 WeakPolarHBondContact O-CG 3.05Å; T162-L166 PolarHBondContact O-N 3.25Å; E163-L166 PolarHBondContact O-N 3.36Å; G164-L166 VanDerWaalsContact C-N 3.32Å; G164-L166 PolarHBondContact O-N 2.91Å; L166-P1609 HydrophobicContact CD2-CG 4.27Å
167A75.1Confident77.7Confident56 Ų5639.6 Ų39.646%0.46324%0.237SC..Hα-helixtrans-75.7-25.8171.500000112.8E163 G164 S169E163-A167 WeakPolarHBondContact O-CB 3.21Å; E163-A167 PolarHBondContact O-N 2.71Å; G164-A167 CarbonylContact O-C 3.54Å; G164-A167 WeakPolarHBondContact O-CB 3.46Å; G164-A167 PolarHBondContact O-N 3.09Å; G164-A167 VanDerWaalsContact O-N 3.11Å; A167-S169 VanDerWaalsContact C-N 3.29Å
168G70.7Confident77.7Confident54 Ų5437.6 Ų37.656%0.55723%0.234SC*.THydrogen-bonded Turntrans75.715.3-165.300000113.9G164 L165G164-G168 PolarHBondContact O-N 3.09Å; L165-G168 PolarHBondContact O-N 3.44Å
169S72Confident77.8Confident67 Ų6740.9 Ų40.947%0.46925%0.252SS..SBendtrans-81.2174.2171.9670000111.4G164 A167G164-S169 WeakPolarHBondContact CA-OG 3.47Å; G164-S169 PolarHBondContact O-N 2.71Å; G164-S169 PolarHBondContact O-OG 3.11Å; A167-S169 VanDerWaalsContact C-N 3.29Å
170D65.6Low78.3Confident100 Ų10039.9 Ų39.954%0.53524%0.243SC..  trans-52.6147.4156.9-74.7-19000109.9K1048D170-K1048 IonicContact OD2-NZ 3.84Å; D170-K1048 PolarHBondContact OD2-NZ 2.98Å
171C66Low78.9Confident18 Ų1839 Ų3912%0.12224%0.237CC..  trans-72.4146.7165.6-58.70000109.8T161 V173T161-C171 HydrophobicContact CG2-CB 4.1Å; C171-V173 PolarHBondContact O-N 3.12Å
172D69.4Low79.4Confident79 Ų7939.6 Ų39.642%0.42224%0.239SC..  trans-76.374.2177.9-71.1-53.9000111.9E174 D175D172-E174 PolarHBondContact O-N 3.31Å; D172-D175 PolarHBondContact O-N 3.1Å
173V77.5Confident80.2Confident8 Ų838.8 Ų38.85%0.04824%0.235CC..G310 helixtrans-52.5-23.1177.8164.70000112.9E91 P95 C171 D175 V176 Q1051 N1052 L1055E91-V173 WeakPolarHBondContact O-CG2 3.5Å; P95-V173 HydrophobicContact CG-CG2 4.05Å; C171-V173 PolarHBondContact O-N 3.12Å; V173-D175 VanDerWaalsContact C-N 3.26Å; V173-D175 PolarHBondContact O-N 3.42Å; V173-V176 PolarHBondContact O-N 3.1Å; V173-Q1051 HydrophobicContact CG1-CB 4.05Å; V173-Q1051 HydrophobicContact CG1-CG 3.53Å; V173-Q1051 WeakPolarHBondContact O-CG 3.09Å; V173-N1052 WeakPolarHBondContact CG1-OD1 3.36Å; V173-L1055 HydrophobicContact CB-CD1 4.43Å; V173-L1055 HydrophobicContact CG1-CD1 3.62Å; V173-L1055 HydrophobicContact CG1-CG 4.12Å; V173-L1055 HydrophobicContact CG2-CD1 4.31Å
174E79.7Confident81.1Confident74 Ų7437 Ų3735%0.34623%0.226SC..G310 helixtrans-66.7-17.4175.3-65-155.617000115.4D172 K1047 K1048D172-E174 PolarHBondContact O-N 3.31Å; E174-K1047 HydrophobicContact CG-CD 4.46Å; E174-K1047 HydrophobicContact CG-CG 4.32Å; E174-K1047 VanDerWaalsContact OE1-CB 3.31Å; E174-K1047 WeakPolarHBondContact OE1-CB 3.36Å; E174-K1047 WeakPolarHBondContact OE1-CG 3.45Å; E174-K1047 WeakPolarHBondContact OE2-CD 3.43Å; E174-K1047 WeakPolarHBondContact OE2-CE 3.42Å; E174-K1047 IonicContact OE2-NZ 3.87Å; E174-K1047 PolarHBondContact OE2-NZ 2.82Å; E174-K1048 HydrophobicContact CG-CB 4.2Å; E174-K1048 WeakPolarHBondContact OE1-CA 3.41Å; E174-K1048 WeakPolarHBondContact OE1-CB 3.4Å; E174-K1048 PolarHBondContact OE1-N 3.16Å
175D83.6Confident81.9Confident53 Ų5336.9 Ų36.928%0.28322%0.224SC..G310 helixtrans-84.6-14.7177.1-78.4-38.5000113.7R157 S160 D172 V173R157-D175 WeakPolarHBondContact CD-O 3.43Å; R157-D175 HydrophobicContact CG-CB 4.1Å; R157-D175 PolarHBondContact NE-O 2.81Å; S160-D175 WeakPolarHBondContact CB-OD2 3.27Å; S160-D175 PolarHBondContact OG-OD2 3.37Å; D172-D175 PolarHBondContact O-N 3.1Å; V173-D175 VanDerWaalsContact C-N 3.26Å; V173-D175 PolarHBondContact O-N 3.42Å
176V87.7Confident82.6Confident4 Ų436.7 Ų36.72%0.02422%0.222CC..  trans-75.5126.1175.8-177.40000109.7P95 L98 L158 V173 Q1051 L1055P95-V176 HydrophobicContact CB-CG2 3.9Å; P95-V176 HydrophobicContact CG-CG2 3.99Å; L98-V176 HydrophobicContact CD1-CG1 3.53Å; L158-V176 HydrophobicContact CD2-CB 4.41Å; L158-V176 HydrophobicContact CD2-CG2 3.8Å; V173-V176 PolarHBondContact O-N 3.1Å; V176-Q1051 PolarHBondContact O-NE2 3.08Å; V176-L1055 HydrophobicContact CB-CD1 4.27Å; V176-L1055 HydrophobicContact CB-CD2 4.32Å; V176-L1055 HydrophobicContact CG1-CD1 4.4Å; V176-L1055 HydrophobicContact CG1-CD2 3.79Å; V176-L1055 HydrophobicContact CG2-CD1 4.17Å
177T89Confident83.6Confident54 Ų5435.5 Ų35.533%0.33122%0.215SC..  trans-101.1155.9173.370.90000111.2R157 D179 D180R157-T177 PolarHBondContact NH2-OG1 2.75Å; T177-D179 PolarHBondContact O-N 2.79Å; T177-D180 WeakPolarHBondContact CA-OD2 3.24Å; T177-D180 WeakPolarHBondContact CB-OD2 3.19Å; T177-D180 PolarHBondContact N-OD2 3.46Å; T177-D180 WeakPolarHBondContact O-CB 3.26Å; T177-D180 PolarHBondContact O-N 2.83Å; T177-D180 PolarHBondContact OG1-N 3Å; T177-D180 PolarHBondContact OG1-OD1 3.35Å; T177-D180 PolarHBondContact OG1-OD2 3.49Å
178V87.6Confident84.4Confident39 Ų3933 Ų3324%0.23619%0.194CC..Hα-helixtrans-56.4-36.2176.4168.90000112Y181 Q182 I1035 L1054V178-Y181 PolarHBondContact O-N 2.9Å; V178-Q182 PolarHBondContact O-N 2.88Å; V178-I1035 HydrophobicContact CG1-CD1 3.45Å; V178-I1035 VanDerWaalsContact CG1-CD1 3.45Å; V178-I1035 HydrophobicContact CG1-CG1 4.23Å; V178-I1035 HydrophobicContact CG1-CG2 4.12Å; V178-I1035 HydrophobicContact CG2-CG2 4.35Å; V178-L1054 HydrophobicContact CG2-CD2 3.98Å
179D90.1Very high85.5Confident70 Ų7030.7 Ų30.737%0.37417%0.169SC..Hα-helixtrans-71.8-35.7-177.1-173.962.6000112.2R154 T177 Y181 Q182 V183R154-D179 IonicContact CZ-OD2 3.47Å; R154-D179 IonicContact NH1-OD2 2.63Å; R154-D179 PolarHBondContact NH1-OD2 3.05Å; R154-D179 IonicContact NH2-OD2 2.78Å; R154-D179 PolarHBondContact NH2-OD2 3.24Å; T177-D179 PolarHBondContact O-N 2.79Å; D179-Y181 VanDerWaalsContact C-N 3.25Å; D179-Y181 PolarHBondContact O-N 3.44Å; D179-Q182 PolarHBondContact O-N 2.71Å; D179-V183 WeakPolarHBondContact O-CG2 3.12Å; D179-V183 PolarHBondContact O-N 2.85Å
180D92.5Very high86.3Confident0 Ų028 Ų280%015%0.148CC..Hα-helixtrans-55.8-44.4173.5-54.3-38.3000111.4L98 F102 R154 R157 T177 V183 Y184L98-D180 HydrophobicContact CD1-CB 4.18Å; L98-D180 HydrophobicContact CD2-CB 4.5Å; F102-D180 HydrophobicContact CE2-CB 3.93Å; F102-D180 HydrophobicContact CZ-CB 4.12Å; R154-D180 VanDerWaalsContact CD-OD1 3.29Å; R154-D180 WeakPolarHBondContact CD-OD1 3.13Å; R154-D180 WeakPolarHBondContact CG-OD1 3.37Å; R154-D180 IonicContact CZ-OD1 2.97Å; R154-D180 IonicContact NE-OD1 3.14Å; R154-D180 IonicContact NH1-OD1 2.75Å; R154-D180 PolarHBondContact NH1-OD1 3.49Å; R157-D180 IonicContact CZ-OD2 2.75Å; R157-D180 IonicContact NH2-OD1 2.69Å; R157-D180 PolarHBondContact NH2-OD1 3.44Å; R157-D180 IonicContact NH2-OD2 3.51Å; R157-D180 PolarHBondContact NH2-OD2 2.89Å; T177-D180 WeakPolarHBondContact CA-OD2 3.24Å; T177-D180 WeakPolarHBondContact CB-OD2 3.19Å; T177-D180 PolarHBondContact N-OD2 3.46Å; T177-D180 WeakPolarHBondContact O-CB 3.26Å; T177-D180 PolarHBondContact O-N 2.83Å; T177-D180 PolarHBondContact OG1-N 3Å; T177-D180 PolarHBondContact OG1-OD1 3.35Å; T177-D180 PolarHBondContact OG1-OD2 3.49Å; D180-V183 PolarHBondContact O-N 3.26Å; D180-Y184 PolarHBondContact O-N 3.22Å; D180-Y184 VanDerWaalsContact O-N 3.13Å
181Y92.7Very high87.5Confident0 Ų023.7 Ų23.70%013%0.125CC..Hα-helixtrans-64.2-40176.1172.6-82.4000111.9V178 D179 Y184 L185 L1058 L1061 L1062V178-Y181 PolarHBondContact O-N 2.9Å; D179-Y181 VanDerWaalsContact C-N 3.25Å; D179-Y181 PolarHBondContact O-N 3.44Å; Y181-Y184 PolarHBondContact O-N 3Å; Y181-L185 HydrophobicContact CE1-CB 4.1Å; Y181-L185 HydrophobicContact CE1-CD2 4Å; Y181-L185 WeakPolarHBondContact O-CB 3.23Å; Y181-L185 PolarHBondContact O-N 3.31Å; Y181-L1058 HydrophobicContact CD1-CD1 4.11Å; Y181-L1058 HydrophobicContact CD1-CD2 3.95Å; Y181-L1058 HydrophobicContact CD1-CG 4.43Å; Y181-L1058 HydrophobicContact CD2-CB 3.94Å; Y181-L1058 HydrophobicContact CD2-CD1 4.27Å; Y181-L1058 HydrophobicContact CE1-CB 4.34Å; Y181-L1058 HydrophobicContact CE1-CD2 3.72Å; Y181-L1058 HydrophobicContact CE1-CG 4.44Å; Y181-L1058 HydrophobicContact CE2-CB 3.66Å; Y181-L1058 HydrophobicContact CG-CB 4.39Å; Y181-L1058 HydrophobicContact CG-CD1 3.97Å; Y181-L1058 PolarHBondContact OH-O 3.23Å; Y181-L1058 VanDerWaalsContact OH-O 3.05Å; Y181-L1061 HydrophobicContact CE1-CD2 4.28Å; Y181-L1061 WeakPolarHBondContact OH-CB 3.36Å; Y181-L1061 WeakPolarHBondContact OH-CD2 3.49Å; Y181-L1061 WeakPolarHBondContact OH-CG 3.42Å; Y181-L1062 HydrophobicContact CD2-CD1 4.19Å; Y181-L1062 HydrophobicContact CE2-CD1 3.5Å; Y181-L1062 HydrophobicContact CE2-CD2 4.42Å; Y181-L1062 HydrophobicContact CE2-CG 3.63Å
182Q92.1Very high88.7Confident13 Ų1323.4 Ų23.46%0.06112%0.122CC..Hα-helixtrans-66-42178-68-170.328.500112.1V178 D179 Y184 L185 R186 N1032 I1035V178-Q182 PolarHBondContact O-N 2.88Å; D179-Q182 PolarHBondContact O-N 2.71Å; Q182-Y184 VanDerWaalsContact C-N 3.31Å; Q182-Y184 PolarHBondContact O-N 3.48Å; Q182-L185 PolarHBondContact O-N 2.98Å; Q182-R186 WeakPolarHBondContact O-CG 3.12Å; Q182-R186 PolarHBondContact O-N 2.97Å; Q182-N1032 PolarHBondContact NE2-ND2 2.68Å; Q182-N1032 PolarHBondContact NE2-OD1 2.67Å; Q182-N1032 PolarHBondContact OE1-ND2 2.72Å; Q182-I1035 HydrophobicContact CG-CD1 4.47Å
183V92.5Very high89.6Confident5 Ų523.5 Ų23.53%0.0312%0.117CC..Hα-helixtrans-58-45.2174177.10000110.7F101 F102 D179 D180 H187F101-V183 HydrophobicContact CE1-CG1 3.81Å; F101-V183 HydrophobicContact CZ-CG1 4.19Å; F102-V183 HydrophobicContact CE1-CG1 4.04Å; F102-V183 HydrophobicContact CZ-CB 4.39Å; F102-V183 HydrophobicContact CZ-CG1 4.37Å; D179-V183 WeakPolarHBondContact O-CG2 3.12Å; D179-V183 PolarHBondContact O-N 2.85Å; D180-V183 PolarHBondContact O-N 3.26Å; V183-H187 PolarHBondContact O-N 3.46Å; V183-H187 VanDerWaalsContact O-N 3.16Å
184Y93.8Very high90.1Very high10 Ų1023.7 Ų23.74%0.03912%0.119CC..Hα-helixtrans-68.9-37.1177.9-175.7-108.8000113.6Y89 L98 F101 D180 Y181 Q182 H187 M188 L1062 R1624Y89-Y184 HydrophobicContact CE1-CE1 4.27Å; L98-Y184 VanDerWaalsContact CD2-CB 3.43Å; L98-Y184 HydrophobicContact CD2-CD1 4.16Å; L98-Y184 HydrophobicContact CD2-CD2 4.39Å; L98-Y184 HydrophobicContact CD2-CG 3.76Å; F101-Y184 HydrophobicContact CB-CD2 3.84Å; F101-Y184 HydrophobicContact CB-CE2 4.02Å; F101-Y184 HydrophobicContact CD1-CD2 4.04Å; F101-Y184 AromaticContact CD2-CD2 3.88Å; F101-Y184 HydrophobicContact CD2-CD2 3.88Å; F101-Y184 HydrophobicContact CD2-CE2 4.26Å; F101-Y184 HydrophobicContact CE2-CD2 4.5Å; F101-Y184 AromaticContact CG-CD2 3.62Å; F101-Y184 HydrophobicContact CG-CD2 3.62Å; F101-Y184 HydrophobicContact CG-CE2 4.17Å; D180-Y184 PolarHBondContact O-N 3.22Å; D180-Y184 VanDerWaalsContact O-N 3.13Å; Y181-Y184 PolarHBondContact O-N 3Å; Q182-Y184 VanDerWaalsContact C-N 3.31Å; Q182-Y184 PolarHBondContact O-N 3.48Å; Y184-H187 PolarHBondContact O-N 3.17Å; Y184-M188 HydrophobicContact CE1-CE 4.01Å; Y184-M188 HydrophobicContact CE2-CE 4.12Å; Y184-M188 WeakPolarHBondContact O-CB 3.45Å; Y184-M188 PolarHBondContact O-N 2.84Å; Y184-M188 WeakPolarHBondContact OH-CE 3.11Å; Y184-L1062 HydrophobicContact CD1-CD1 3.95Å; Y184-L1062 HydrophobicContact CD1-CD2 4.05Å; Y184-L1062 HydrophobicContact CE1-CD1 3.84Å; Y184-L1062 HydrophobicContact CE1-CD2 4.07Å; Y184-R1624 PolarHBondContact OH-NH2 2.82Å; Y184-R1624 VanDerWaalsContact OH-NH2 3.14Å
185L93.6Very high90.6Very high1 Ų120.5 Ų20.51%0.00510%0.104CC..Hα-helixtrans-63.1-45.8175.3179.566.6000111.5Y181 Q182 H187 M188 I189 C1031 L1061 L1062 V1065Y181-L185 HydrophobicContact CE1-CB 4.1Å; Y181-L185 HydrophobicContact CE1-CD2 4Å; Y181-L185 WeakPolarHBondContact O-CB 3.23Å; Y181-L185 PolarHBondContact O-N 3.31Å; Q182-L185 PolarHBondContact O-N 2.98Å; L185-H187 VanDerWaalsContact C-N 3.32Å; L185-H187 PolarHBondContact O-N 2.92Å; L185-M188 PolarHBondContact O-N 2.77Å; L185-I189 HydrophobicContact CD1-CD1 3.92Å; L185-I189 HydrophobicContact CD1-CG1 4.29Å; L185-I189 HydrophobicContact CG-CD1 3.93Å; L185-I189 WeakPolarHBondContact O-CG1 3.2Å; L185-I189 PolarHBondContact O-N 3.43Å; L185-C1031 HydrophobicContact CD2-CB 3.75Å; L185-L1061 HydrophobicContact CD1-CG 4.32Å; L185-L1061 HydrophobicContact CD2-CD2 3.83Å; L185-L1061 HydrophobicContact CD2-CG 4.29Å; L185-L1062 HydrophobicContact CD1-CD2 3.91Å; L185-V1065 HydrophobicContact CD1-CG2 4.46Å
186R92.5Very high90.7Very high17 Ų1719 Ų196%0.06410%0.098CC..Hα-helixtrans-55.4-49.2174.8-70.9175.2178.7102.8-2.5111Q182 Y190 E919 Y920 V1024Q182-R186 WeakPolarHBondContact O-CG 3.12Å; Q182-R186 PolarHBondContact O-N 2.97Å; R186-Y190 PolarHBondContact O-N 3.24Å; R186-Y190 VanDerWaalsContact O-N 3.17Å; R186-E919 IonicContact CZ-OE2 3.68Å; R186-E919 IonicContact NE-OE2 2.78Å; R186-E919 PolarHBondContact NE-OE2 3.44Å; R186-E919 IonicContact NH2-OE1 3.81Å; R186-E919 PolarHBondContact NH2-OE1 2.87Å; R186-E919 IonicContact NH2-OE2 3.73Å; R186-E919 PolarHBondContact NH2-OE2 3.12Å; R186-Y920 VanDerWaalsContact CD-O 3.3Å; R186-Y920 WeakPolarHBondContact CD-O 3.48Å; R186-V1024 HydrophobicContact CB-CG1 3.75Å; R186-V1024 HydrophobicContact CG-CG1 3.63Å
187H92.1Very high90.8Very high24 Ų2420.1 Ų20.111%0.11110%0.102CC..Hα-helixtrans-60-48.4177.3174.266.1000112.2F101 V183 Y184 L185 I189 Y190 H191 G921F101-H187 AromaticContact CD2-CD2 3.79Å; F101-H187 HydrophobicContact CE2-CB 3.91Å; F101-H187 AromaticContact CE2-CD2 3.38Å; F101-H187 WeakPolarHBondContact CE2-CD2 3.24Å; F101-H187 AromaticContact CE2-CG 3.48Å; F101-H187 VanDerWaalsContact CE2-CG 3.48Å; F101-H187 AromaticContact CE2-NE2 3.88Å; F101-H187 HydrophobicContact CZ-CB 4.03Å; V183-H187 PolarHBondContact O-N 3.46Å; V183-H187 VanDerWaalsContact O-N 3.16Å; Y184-H187 PolarHBondContact O-N 3.17Å; L185-H187 VanDerWaalsContact C-N 3.32Å; L185-H187 PolarHBondContact O-N 2.92Å; H187-I189 PolarHBondContact O-N 2.88Å; H187-Y190 PolarHBondContact O-N 3.25Å; H187-H191 VanDerWaalsContact O-CB 3.22Å; H187-H191 WeakPolarHBondContact O-CB 3.19Å; H187-H191 PolarHBondContact O-N 2.94Å; H187-G921 VanDerWaalsContact CA-O 3.26Å; H187-G921 WeakPolarHBondContact CA-O 3.43Å; H187-G921 WeakPolarHBondContact CB-O 3.35Å
188M92.5Very high90.8Very high4 Ų417.6 Ų17.62%0.029%0.086CC..Hα-helixtrans-61.3-43-177.6-173.258.960.600112.7Y184 L185 H191 L192 L1062Y184-M188 HydrophobicContact CE1-CE 4.01Å; Y184-M188 HydrophobicContact CE2-CE 4.12Å; Y184-M188 WeakPolarHBondContact O-CB 3.45Å; Y184-M188 PolarHBondContact O-N 2.84Å; Y184-M188 WeakPolarHBondContact OH-CE 3.11Å; L185-M188 PolarHBondContact O-N 2.77Å; M188-H191 PolarHBondContact O-N 2.64Å; M188-L192 HydrophobicContact CG-CD1 3.97Å; M188-L192 WeakPolarHBondContact O-CB 3.47Å; M188-L192 WeakPolarHBondContact O-CG 3.23Å; M188-L192 PolarHBondContact O-N 2.84Å; M188-L192 VanDerWaalsContact O-N 3.08Å; M188-L192 HydrophobicContact SD-CD1 3.77Å; M188-L192 HydrophobicContact SD-CD2 4.46Å; M188-L192 HydrophobicContact SD-CG 3.95Å; M188-L1062 HydrophobicContact CB-CD2 4.4Å; M188-L1062 HydrophobicContact CG-CD2 4.37Å
189I92.2Very high90.8Very high5 Ų516 Ų163%0.0268%0.076CC..Hα-helixtrans-65.3-48.1178.3-64.5165.4000110.4L185 H187 H191 R193 V1024 M1027 V1065L185-I189 HydrophobicContact CD1-CD1 3.92Å; L185-I189 HydrophobicContact CD1-CG1 4.29Å; L185-I189 HydrophobicContact CG-CD1 3.93Å; L185-I189 WeakPolarHBondContact O-CG1 3.2Å; L185-I189 PolarHBondContact O-N 3.43Å; H187-I189 PolarHBondContact O-N 2.88Å; I189-H191 PolarHBondContact O-N 3.34Å; I189-R193 VanDerWaalsContact O-CB 3.26Å; I189-R193 WeakPolarHBondContact O-CB 3.37Å; I189-R193 PolarHBondContact O-N 2.87Å; I189-V1024 HydrophobicContact CB-CG2 4.07Å; I189-V1024 HydrophobicContact CG2-CG2 3.72Å; I189-M1027 HydrophobicContact CD1-CB 3.55Å; I189-M1027 HydrophobicContact CD1-CE 4.41Å; I189-M1027 HydrophobicContact CD1-CG 3.97Å; I189-V1065 HydrophobicContact CD1-CG2 4.5Å; I189-V1065 HydrophobicContact CG1-CG1 3.98Å; I189-V1065 HydrophobicContact CG1-CG2 4.16Å
190Y90Very high90.7Very high9 Ų913.4 Ų13.44%0.0356%0.062CC..Hα-helixtrans-59.4-45.2175.7161.8-93.8000111.8R186 H187 R193 S194 E906 Y909 L910 L913 P923R186-Y190 PolarHBondContact O-N 3.24Å; R186-Y190 VanDerWaalsContact O-N 3.17Å; H187-Y190 PolarHBondContact O-N 3.25Å; Y190-R193 PolarHBondContact O-N 3.21Å; Y190-S194 WeakPolarHBondContact O-CB 3.15Å; Y190-S194 PolarHBondContact O-N 3.22Å; Y190-E906 PolarHBondContact OH-OE1 2.8Å; Y190-Y909 HydrophobicContact CD2-CD1 4.14Å; Y190-Y909 AromaticContact CD2-CE1 3.8Å; Y190-Y909 HydrophobicContact CD2-CE1 3.8Å; Y190-Y909 HydrophobicContact CE2-CD1 4.48Å; Y190-L910 HydrophobicContact CE2-CD2 4.49Å; Y190-L913 HydrophobicContact CD2-CD1 4.31Å; Y190-P923 HydrophobicContact CD2-CG 3.87Å; Y190-P923 HydrophobicContact CE1-CB 4.45Å; Y190-P923 HydrophobicContact CE1-CG 4.27Å; Y190-P923 HydrophobicContact CE2-CB 4.32Å; Y190-P923 HydrophobicContact CE2-CG 3.53Å; Y190-P923 HydrophobicContact CG-CG 4.41Å
191H91.1Very high90.6Very high11 Ų1113.5 Ų13.55%0.0516%0.062CC..Hα-helixtrans-60.6-56.3-176.5-173.758.3000111.7H187 M188 I189 R193 S194 L195 I1602H187-H191 VanDerWaalsContact O-CB 3.22Å; H187-H191 WeakPolarHBondContact O-CB 3.19Å; H187-H191 PolarHBondContact O-N 2.94Å; M188-H191 PolarHBondContact O-N 2.64Å; I189-H191 PolarHBondContact O-N 3.34Å; H191-R193 VanDerWaalsContact C-N 3.32Å; H191-R193 PolarHBondContact O-N 3.48Å; H191-S194 PolarHBondContact O-N 2.88Å; H191-S194 VanDerWaalsContact O-N 3.11Å; H191-S194 PolarHBondContact O-OG 2.91Å; H191-L195 VanDerWaalsContact CE1-CD1 3.44Å; H191-L195 WeakPolarHBondContact CE1-CD1 3.21Å; H191-L195 WeakPolarHBondContact NE2-CD1 3.42Å; H191-L195 PolarHBondContact O-N 3.38Å; H191-L195 VanDerWaalsContact O-N 3.11Å; H191-I1602 PolarHBondContact CE1-O 3.41Å; H191-I1602 PolarHBondContact NE2-O 3.38Å
192L90.5Very high90.4Very high12 Ų1213.5 Ų13.56%0.0636%0.062CC..Hα-helixtrans-62.7-38.1179.9-64.6175000111.8M188 S196 V1065 H1069M188-L192 HydrophobicContact CG-CD1 3.97Å; M188-L192 WeakPolarHBondContact O-CB 3.47Å; M188-L192 WeakPolarHBondContact O-CG 3.23Å; M188-L192 PolarHBondContact O-N 2.84Å; M188-L192 VanDerWaalsContact O-N 3.08Å; M188-L192 HydrophobicContact SD-CD1 3.77Å; M188-L192 HydrophobicContact SD-CD2 4.46Å; M188-L192 HydrophobicContact SD-CG 3.95Å; L192-S196 PolarHBondContact O-N 2.75Å; L192-V1065 HydrophobicContact CD1-CG1 4.06Å; L192-H1069 HydrophobicContact CD1-CB 4.08Å; L192-H1069 HydrophobicContact CD2-CB 4.48Å
193R88.8Confident90.3Very high80 Ų8013.1 Ų13.130%0.3026%0.061SC..Hα-helixtrans-60-48.8171.5172.266-156170.68.9111.5I189 Y190 H191 L195 S196 Y909 E1022I189-R193 VanDerWaalsContact O-CB 3.26Å; I189-R193 WeakPolarHBondContact O-CB 3.37Å; I189-R193 PolarHBondContact O-N 2.87Å; Y190-R193 PolarHBondContact O-N 3.21Å; H191-R193 VanDerWaalsContact C-N 3.32Å; H191-R193 PolarHBondContact O-N 3.48Å; R193-L195 VanDerWaalsContact C-N 3.34Å; R193-L195 PolarHBondContact O-N 2.96Å; R193-S196 WeakPolarHBondContact O-CB 3.16Å; R193-S196 PolarHBondContact O-N 2.73Å; R193-S196 PolarHBondContact O-OG 3.32Å; R193-Y909 HydrophobicContact CB-CE1 4.03Å; R193-Y909 HydrophobicContact CG-CD1 3.94Å; R193-Y909 HydrophobicContact CG-CD2 4.38Å; R193-Y909 HydrophobicContact CG-CE1 3.52Å; R193-Y909 HydrophobicContact CG-CE2 4.02Å; R193-Y909 HydrophobicContact CG-CG 4.35Å; R193-E1022 WeakPolarHBondContact CD-OE2 3.45Å; R193-E1022 IonicContact CZ-OE2 3.46Å; R193-E1022 IonicContact NE-OE2 3.99Å; R193-E1022 IonicContact NH1-OE2 2.79Å; R193-E1022 PolarHBondContact NH1-OE2 2.75Å
194S88.3Confident90.2Very high13 Ų1313.6 Ų13.69%0.0916%0.063CC..Hα-helixtrans-62.8-39.3-174.477.40000112.4Y190 H191 Q902Y190-S194 WeakPolarHBondContact O-CB 3.15Å; Y190-S194 PolarHBondContact O-N 3.22Å; H191-S194 PolarHBondContact O-N 2.88Å; H191-S194 VanDerWaalsContact O-N 3.11Å; H191-S194 PolarHBondContact O-OG 2.91Å; S194-Q902 PolarHBondContact O-NE2 2.64Å
195L89.2Confident90.1Very high6 Ų613.1 Ų13.13%0.0316%0.061CC..Hα-helixtrans-81.5-12.6-178.6-64.8178.1000114.2H191 R193 Y197 V198 N199 C955 I1602H191-L195 VanDerWaalsContact CE1-CD1 3.44Å; H191-L195 WeakPolarHBondContact CE1-CD1 3.21Å; H191-L195 WeakPolarHBondContact NE2-CD1 3.42Å; H191-L195 PolarHBondContact O-N 3.38Å; H191-L195 VanDerWaalsContact O-N 3.11Å; R193-L195 VanDerWaalsContact C-N 3.34Å; R193-L195 PolarHBondContact O-N 2.96Å; L195-Y197 VanDerWaalsContact C-N 3.3Å; L195-Y197 PolarHBondContact O-N 3.02Å; L195-Y197 VanDerWaalsContact O-N 3.15Å; L195-V198 PolarHBondContact O-N 2.81Å; L195-N199 PolarHBondContact O-N 2.93Å; L195-C955 HydrophobicContact CD2-CB 4.01Å; L195-I1602 HydrophobicContact CD1-CB 3.74Å; L195-I1602 HydrophobicContact CD1-CD1 4.4Å; L195-I1602 HydrophobicContact CD1-CG2 3.88Å; L195-I1602 HydrophobicContact CD2-CB 4.41Å; L195-I1602 HydrophobicContact CD2-CD1 4.07Å; L195-I1602 HydrophobicContact CD2-CG2 3.98Å
196S87Confident90Very high23 Ų2313.6 Ų13.616%0.1616%0.063CC..Hα-helixtrans-52.1-41.2-172.2630000114.2L192 R193 Q200L192-S196 PolarHBondContact O-N 2.75Å; R193-S196 WeakPolarHBondContact O-CB 3.16Å; R193-S196 PolarHBondContact O-N 2.73Å; R193-S196 PolarHBondContact O-OG 3.32Å; S196-Q200 VanDerWaalsContact O-CG 3.27Å; S196-Q200 WeakPolarHBondContact O-CG 3.34Å; S196-Q200 PolarHBondContact O-N 2.72Å; S196-Q200 PolarHBondContact O-NE2 3.33Å
197Y88.3Confident90Very high27 Ų2712.9 Ų12.911%0.1066%0.06CC..Hα-helixtrans-65.6-38.5176.6173-116.2000112.5L195 Q200 I201 I898 N901L195-Y197 VanDerWaalsContact C-N 3.3Å; L195-Y197 PolarHBondContact O-N 3.02Å; L195-Y197 VanDerWaalsContact O-N 3.15Å; Y197-Q200 PolarHBondContact O-N 3.36Å; Y197-I201 HydrophobicContact CD1-CD1 4.19Å; Y197-I201 HydrophobicContact CD2-CD1 4.34Å; Y197-I201 HydrophobicContact CE1-CD1 3.71Å; Y197-I201 HydrophobicContact CE2-CD1 3.87Å; Y197-I201 HydrophobicContact CG-CD1 4.49Å; Y197-I201 PolarHBondContact O-N 3.16Å; Y197-I898 HydrophobicContact CE1-CG2 4.17Å; Y197-N901 HydrophobicContact CE1-CB 3.82Å; Y197-N901 WeakPolarHBondContact OH-CB 3.5Å; Y197-N901 PolarHBondContact OH-ND2 3.42Å
198V89.1Confident90Very high0 Ų012 Ų120%06%0.056CC..Hα-helixtrans-80.5-34.2-173.8-1760000112.1L195 Q200 I201 S202 Q902 C955 L959L195-V198 PolarHBondContact O-N 2.81Å; V198-Q200 VanDerWaalsContact C-N 3.29Å; V198-Q200 PolarHBondContact O-N 2.7Å; V198-I201 PolarHBondContact O-N 2.7Å; V198-S202 WeakPolarHBondContact O-CB 3.49Å; V198-S202 PolarHBondContact O-N 2.69Å; V198-S202 PolarHBondContact O-OG 3.49Å; V198-Q902 HydrophobicContact CG2-CG 4.42Å; V198-C955 HydrophobicContact CB-CB 4.25Å; V198-C955 HydrophobicContact CG1-CB 3.74Å; V198-C955 HydrophobicContact CG2-CB 4.32Å; V198-L959 HydrophobicContact CG1-CD1 3.75Å; V198-L959 HydrophobicContact CG1-CD2 3.84Å; V198-L959 HydrophobicContact CG1-CG 3.64Å
199N88.2Confident89.9Confident5 Ų511.8 Ų11.83%0.0276%0.055CC..Hα-helixtrans-61-39.2169.6-77.522.7000111.3L195 I201 S202 N203 H1069 D1073L195-N199 PolarHBondContact O-N 2.93Å; N199-I201 PolarHBondContact O-N 3.37Å; N199-S202 PolarHBondContact O-N 3.45Å; N199-N203 WeakPolarHBondContact O-CB 3.43Å; N199-N203 VanDerWaalsContact O-CG 3.3Å; N199-N203 PolarHBondContact O-N 3.42Å; N199-H1069 PolarHBondContact ND2-NE2 3.25Å; N199-D1073 PolarHBondContact ND2-OD2 3.08Å
200Q87.1Confident89.7Confident17 Ų1712.4 Ų12.48%0.0796%0.057CC..Hα-helixtrans-62.6-43.6177.4-67.9162.455.100112.3S196 Y197 V198 M204 W1000 L1003 W1076S196-Q200 VanDerWaalsContact O-CG 3.27Å; S196-Q200 WeakPolarHBondContact O-CG 3.34Å; S196-Q200 PolarHBondContact O-N 2.72Å; S196-Q200 PolarHBondContact O-NE2 3.33Å; Y197-Q200 PolarHBondContact O-N 3.36Å; V198-Q200 VanDerWaalsContact C-N 3.29Å; V198-Q200 PolarHBondContact O-N 2.7Å; Q200-M204 PolarHBondContact O-N 2.73Å; Q200-M204 VanDerWaalsContact O-N 3.1Å; Q200-W1000 HydrophobicContact CB-CZ2 3.92Å; Q200-L1003 HydrophobicContact CG-CD1 4.13Å; Q200-W1076 HydrophobicContact CG-CG 4.28Å; Q200-W1076 PolarHBondContact O-NE1 3.14Å
201I90.2Very high89.5Confident1 Ų115.2 Ų15.21%0.0057%0.071CC..Hα-helixtrans-65.7-45175.7-67.4165.8000110.5Y197 V198 N199 N203 M204 V205 I898 L959 W1000Y197-I201 HydrophobicContact CD1-CD1 4.19Å; Y197-I201 HydrophobicContact CD2-CD1 4.34Å; Y197-I201 HydrophobicContact CE1-CD1 3.71Å; Y197-I201 HydrophobicContact CE2-CD1 3.87Å; Y197-I201 HydrophobicContact CG-CD1 4.49Å; Y197-I201 PolarHBondContact O-N 3.16Å; V198-I201 PolarHBondContact O-N 2.7Å; N199-I201 PolarHBondContact O-N 3.37Å; I201-N203 VanDerWaalsContact C-N 3.29Å; I201-N203 PolarHBondContact O-N 2.74Å; I201-M204 PolarHBondContact O-N 2.7Å; I201-V205 HydrophobicContact CG2-CG2 4.22Å; I201-V205 WeakPolarHBondContact O-CG2 3Å; I201-V205 PolarHBondContact O-N 3.33Å; I201-I898 HydrophobicContact CD1-CG1 4.14Å; I201-I898 HydrophobicContact CD1-CG2 3.92Å; I201-I898 HydrophobicContact CG2-CD1 4.24Å; I201-L959 HydrophobicContact CG2-CD2 3.94Å; I201-W1000 HydrophobicContact CG1-CH2 4.07Å; I201-W1000 HydrophobicContact CG1-CZ2 3.92Å
202S89.6Confident89.4Confident0 Ų015.5 Ų15.50%07%0.072CC..Hα-helixtrans-59.7-39.5179.4-58.90000112.1V198 N199 K206 N1600V198-S202 WeakPolarHBondContact O-CB 3.49Å; V198-S202 PolarHBondContact O-N 2.69Å; V198-S202 PolarHBondContact O-OG 3.49Å; N199-S202 PolarHBondContact O-N 3.45Å; S202-K206 PolarHBondContact O-N 3.45Å; S202-K206 VanDerWaalsContact O-N 3.09Å; S202-N1600 WeakPolarHBondContact CB-OD1 3.44Å
203N88.7Confident89.1Confident6 Ų615.9 Ų15.93%0.0327%0.072CC..Hα-helixtrans-71.3-29.8174.8-70.6-8.3000113.2N199 I201 W207 I1080 N1600N199-N203 WeakPolarHBondContact O-CB 3.43Å; N199-N203 VanDerWaalsContact O-CG 3.3Å; N199-N203 PolarHBondContact O-N 3.42Å; I201-N203 VanDerWaalsContact C-N 3.29Å; I201-N203 PolarHBondContact O-N 2.74Å; N203-W207 VanDerWaalsContact O-CD1 3.3Å; N203-I1080 HydrophobicContact CB-CD1 4.38Å; N203-N1600 PolarHBondContact OD1-ND2 3.08Å
204M90.7Very high88.7Confident14 Ų1413.9 Ų13.97%0.0697%0.067CC..Hα-helixtrans-69.2-49.1170.5174.1-86.6-76.600111.1Q200 I201 K206 W207 F208 L993 E996 I997 W1000 I1080Q200-M204 PolarHBondContact O-N 2.73Å; Q200-M204 VanDerWaalsContact O-N 3.1Å; I201-M204 PolarHBondContact O-N 2.7Å; M204-K206 VanDerWaalsContact C-N 3.29Å; M204-K206 PolarHBondContact O-N 2.68Å; M204-W207 PolarHBondContact O-N 3.39Å; M204-F208 PolarHBondContact O-N 3.46Å; M204-F208 HydrophobicContact SD-CD2 3.84Å; M204-L993 HydrophobicContact CE-CD1 3.69Å; M204-L993 HydrophobicContact SD-CD1 3.87Å; M204-E996 HydrophobicContact CE-CB 4.3Å; M204-E996 HydrophobicContact CE-CG 3.96Å; M204-E996 HydrophobicContact CG-CG 4.39Å; M204-E996 HydrophobicContact SD-CG 4.08Å; M204-I997 HydrophobicContact CE-CG1 3.95Å; M204-W1000 HydrophobicContact CB-CH2 3.76Å; M204-W1000 HydrophobicContact CB-CZ3 3.86Å; M204-W1000 HydrophobicContact CE-CE3 4.24Å; M204-W1000 HydrophobicContact CE-CH2 4.35Å; M204-W1000 HydrophobicContact CE-CZ3 3.53Å; M204-W1000 HydrophobicContact CG-CH2 4.3Å; M204-W1000 HydrophobicContact CG-CZ3 3.88Å; M204-I1080 HydrophobicContact CB-CD1 4.22Å
205V92.5Very high88.5Confident1 Ų117.5 Ų17.51%0.0068%0.082CC..Hα-helixtrans-55.8-44.9-179.5171.10000110.7I201 W207 F208 P209 S962 M963 S966 L993I201-V205 HydrophobicContact CG2-CG2 4.22Å; I201-V205 WeakPolarHBondContact O-CG2 3Å; I201-V205 PolarHBondContact O-N 3.33Å; V205-W207 VanDerWaalsContact C-N 3.25Å; V205-W207 PolarHBondContact O-N 2.73Å; V205-W207 VanDerWaalsContact O-N 3.14Å; V205-F208 WeakPolarHBondContact O-CB 3.25Å; V205-F208 PolarHBondContact O-N 2.77Å; V205-F208 VanDerWaalsContact O-N 3.09Å; V205-P209 WeakPolarHBondContact O-CD 3.45Å; V205-S962 WeakPolarHBondContact CG1-O 3.3Å; V205-S962 WeakPolarHBondContact CG1-OG 3.49Å; V205-M963 HydrophobicContact CG1-CG 4.33Å; V205-S966 WeakPolarHBondContact CG1-OG 3.46Å; V205-S966 PolarHBondContact O-OG 3.39Å; V205-L993 HydrophobicContact CG2-CD1 4.01Å
206K91.8Very high88.4Confident11 Ų1117.2 Ų17.25%0.0488%0.08CC..Hα-helixtrans-47.2-41.5174.3177.1179.4177.1-1780114.7S202 M204 E1077 Y1633 L1634 L1636S202-K206 PolarHBondContact O-N 3.45Å; S202-K206 VanDerWaalsContact O-N 3.09Å; M204-K206 VanDerWaalsContact C-N 3.29Å; M204-K206 PolarHBondContact O-N 2.68Å; K206-E1077 WeakPolarHBondContact CD-OE1 3.45Å; K206-E1077 VanDerWaalsContact CE-OE1 3.27Å; K206-E1077 WeakPolarHBondContact CE-OE1 3.34Å; K206-E1077 IonicContact NZ-OE1 3.6Å; K206-E1077 PolarHBondContact NZ-OE1 3.09Å; K206-E1077 IonicContact NZ-OE2 3.5Å; K206-Y1633 WeakPolarHBondContact CA-OH 3.44Å; K206-Y1633 HydrophobicContact CB-CD1 4.06Å; K206-Y1633 HydrophobicContact CB-CD2 4.47Å; K206-Y1633 HydrophobicContact CB-CE1 3.67Å; K206-Y1633 HydrophobicContact CB-CE2 4.09Å; K206-Y1633 HydrophobicContact CB-CG 4.46Å; K206-Y1633 HydrophobicContact CD-CD1 3.87Å; K206-Y1633 HydrophobicContact CD-CE1 4.35Å; K206-Y1633 HydrophobicContact CD-CG 4.02Å; K206-Y1633 HydrophobicContact CG-CD1 3.83Å; K206-Y1633 HydrophobicContact CG-CD2 3.91Å; K206-Y1633 HydrophobicContact CG-CE1 3.96Å; K206-Y1633 HydrophobicContact CG-CE2 4.01Å; K206-Y1633 HydrophobicContact CG-CG 3.83Å; K206-L1634 PolarHBondContact NZ-O 3.11Å; K206-L1636 HydrophobicContact CD-CD1 4.43Å; K206-L1636 HydrophobicContact CG-CD1 3.91Å
207W91.8Very high88.2Confident1 Ų120.6 Ų20.60%0.0049%0.092CC..Hα-helixtrans-100.1-5.6-175.6-66.3108.7000113.6N203 M204 V205 P209 Y210 H211 E1077 I1080 L1081 L1084 I1192 L1636N203-W207 VanDerWaalsContact O-CD1 3.3Å; M204-W207 PolarHBondContact O-N 3.39Å; V205-W207 VanDerWaalsContact C-N 3.25Å; V205-W207 PolarHBondContact O-N 2.73Å; V205-W207 VanDerWaalsContact O-N 3.14Å; W207-P209 VanDerWaalsContact C-CD 3.47Å; W207-Y210 AromaticContact CE3-CD2 3.76Å; W207-Y210 HydrophobicContact CE3-CD2 3.76Å; W207-Y210 HydrophobicContact CE3-CE2 4.12Å; W207-Y210 HydrophobicContact CE3-CG 4.46Å; W207-Y210 HydrophobicContact CZ3-CD2 4.15Å; W207-Y210 HydrophobicContact CZ3-CE2 4.13Å; W207-Y210 PolarHBondContact O-N 2.68Å; W207-H211 PolarHBondContact O-N 2.62Å; W207-H211 VanDerWaalsContact O-N 3.15Å; W207-E1077 PolarHBondContact NE1-OE1 2.78Å; W207-I1080 HydrophobicContact CB-CG2 3.77Å; W207-I1080 HydrophobicContact CG-CG2 4.23Å; W207-L1081 HydrophobicContact CD2-CD2 3.79Å; W207-L1081 HydrophobicContact CE3-CD2 3.92Å; W207-L1081 HydrophobicContact CG-CD2 4.46Å; W207-L1081 HydrophobicContact CH2-CD2 3.94Å; W207-L1081 HydrophobicContact CZ2-CD2 3.79Å; W207-L1081 HydrophobicContact CZ3-CD2 4Å; W207-L1084 HydrophobicContact CE3-CD2 4.45Å; W207-I1192 HydrophobicContact CH2-CB 4.34Å; W207-I1192 HydrophobicContact CH2-CD1 4.2Å; W207-I1192 HydrophobicContact CH2-CG1 3.71Å; W207-I1192 HydrophobicContact CH2-CG2 4.02Å; W207-I1192 HydrophobicContact CZ2-CD1 3.86Å; W207-I1192 HydrophobicContact CZ2-CG1 3.72Å; W207-L1636 HydrophobicContact CE3-CD1 4.33Å; W207-L1636 HydrophobicContact CH2-CD1 3.65Å; W207-L1636 HydrophobicContact CH2-CD2 3.83Å; W207-L1636 HydrophobicContact CH2-CG 3.91Å; W207-L1636 HydrophobicContact CZ2-CD1 3.92Å; W207-L1636 HydrophobicContact CZ2-CG 4.31Å; W207-L1636 HydrophobicContact CZ3-CD1 3.87Å; W207-L1636 HydrophobicContact CZ3-CD2 4.2Å; W207-L1636 HydrophobicContact CZ3-CG 4.47Å
208F92.2Very high88Confident5 Ų524.3 Ų24.32%0.02211%0.11CC..Hα-helixtrans-54.9-43.5179.6-169.2-83.5000114.5M204 V205 Y210 H211 Y212 F989 L993 E996M204-F208 PolarHBondContact O-N 3.46Å; M204-F208 HydrophobicContact SD-CD2 3.84Å; V205-F208 WeakPolarHBondContact O-CB 3.25Å; V205-F208 PolarHBondContact O-N 2.77Å; V205-F208 VanDerWaalsContact O-N 3.09Å; F208-Y210 PolarHBondContact O-N 3.41Å; F208-H211 PolarHBondContact O-N 2.72Å; F208-Y212 HydrophobicContact CD1-CD2 4.21Å; F208-Y212 AromaticContact CD2-CD2 3.66Å; F208-Y212 HydrophobicContact CD2-CD2 3.66Å; F208-Y212 AromaticContact CD2-CE2 3.93Å; F208-Y212 HydrophobicContact CD2-CE2 3.93Å; F208-Y212 AromaticContact CE1-CD2 3.96Å; F208-Y212 HydrophobicContact CE1-CD2 3.96Å; F208-Y212 HydrophobicContact CE1-CG 4.08Å; F208-Y212 AromaticContact CE2-CD2 3.35Å; F208-Y212 HydrophobicContact CE2-CD2 3.35Å; F208-Y212 AromaticContact CE2-CE2 3.45Å; F208-Y212 HydrophobicContact CE2-CE2 3.45Å; F208-Y212 VanDerWaalsContact CE2-CE2 3.45Å; F208-Y212 HydrophobicContact CE2-CG 4.15Å; F208-Y212 HydrophobicContact CG-CD2 4.08Å; F208-Y212 HydrophobicContact CZ-CD1 4.48Å; F208-Y212 AromaticContact CZ-CD2 3.52Å; F208-Y212 HydrophobicContact CZ-CD2 3.52Å; F208-Y212 AromaticContact CZ-CE2 3.95Å; F208-Y212 HydrophobicContact CZ-CE2 3.95Å; F208-Y212 AromaticContact CZ-CG 3.83Å; F208-Y212 HydrophobicContact CZ-CG 3.83Å; F208-Y212 PolarHBondContact O-N 3.2Å; F208-F989 AromaticContact CD1-CD2 3.73Å; F208-F989 HydrophobicContact CD1-CD2 3.73Å; F208-F989 AromaticContact CD1-CE2 3.4Å; F208-F989 HydrophobicContact CD1-CE2 3.4Å; F208-F989 AromaticContact CD1-CZ 3.98Å; F208-F989 HydrophobicContact CD1-CZ 3.98Å; F208-F989 AromaticContact CE1-CD2 3.78Å; F208-F989 HydrophobicContact CE1-CD2 3.78Å; F208-F989 AromaticContact CE1-CE2 3.9Å; F208-F989 HydrophobicContact CE1-CE2 3.9Å; F208-F989 HydrophobicContact CE1-CG 4.24Å; F208-F989 HydrophobicContact CE1-CZ 4.44Å; F208-F989 HydrophobicContact CG-CE2 4.34Å; F208-L993 HydrophobicContact CD2-CD1 4.02Å; F208-L993 HydrophobicContact CE1-CB 4.42Å; F208-L993 HydrophobicContact CE2-CB 4.04Å; F208-L993 HydrophobicContact CE2-CD1 4.04Å; F208-L993 HydrophobicContact CZ-CB 3.87Å; F208-L993 VanDerWaalsContact CZ-N 3.31Å; F208-E996 HydrophobicContact CE2-CB 4.36Å
209P90.1Very high87.8Confident0 Ų025.3 Ų25.30%012%0.117CC..Hα-helixtrans-56.5-36.2178.8-27.136.8000113.2V205 W207 R213 S966 T969 T970 F989V205-P209 WeakPolarHBondContact O-CD 3.45Å; W207-P209 VanDerWaalsContact C-CD 3.47Å; P209-R213 WeakPolarHBondContact O-CA 3.11Å; P209-R213 WeakPolarHBondContact O-CB 3.48Å; P209-R213 PolarHBondContact O-N 2.65Å; P209-R213 VanDerWaalsContact O-N 3.12Å; P209-S966 WeakPolarHBondContact CG-O 3.2Å; P209-T969 HydrophobicContact CB-CG2 4.04Å; P209-T969 HydrophobicContact CG-CG2 4.11Å; P209-T970 WeakPolarHBondContact CB-OG1 3.3Å; P209-T970 WeakPolarHBondContact CG-OG1 3.39Å; P209-F989 HydrophobicContact CG-CE2 4.42Å
210Y89Confident87.5Confident19 Ų1925.7 Ų25.78%0.07512%0.119CC..Hα-helixtrans-77.8-44.7-179.8-60.8-82.2000111.6W207 F208 Y212 M973 L1196 F1199 L1636W207-Y210 AromaticContact CE3-CD2 3.76Å; W207-Y210 HydrophobicContact CE3-CD2 3.76Å; W207-Y210 HydrophobicContact CE3-CE2 4.12Å; W207-Y210 HydrophobicContact CE3-CG 4.46Å; W207-Y210 HydrophobicContact CZ3-CD2 4.15Å; W207-Y210 HydrophobicContact CZ3-CE2 4.13Å; W207-Y210 PolarHBondContact O-N 2.68Å; F208-Y210 PolarHBondContact O-N 3.41Å; Y210-Y212 VanDerWaalsContact C-N 3.34Å; Y210-Y212 PolarHBondContact O-N 3.44Å; Y210-M973 HydrophobicContact CD1-CE 3.63Å; Y210-M973 HydrophobicContact CD1-SD 4.46Å; Y210-M973 HydrophobicContact CE1-CE 3.9Å; Y210-L1196 HydrophobicContact CE1-CD2 3.75Å; Y210-F1199 AromaticContact CD1-CD2 3.59Å; Y210-F1199 HydrophobicContact CD1-CD2 3.59Å; Y210-F1199 AromaticContact CD1-CE2 3.77Å; Y210-F1199 HydrophobicContact CD1-CE2 3.77Å; Y210-F1199 HydrophobicContact CD1-CG 4.15Å; Y210-F1199 HydrophobicContact CD1-CZ 4.48Å; Y210-F1199 HydrophobicContact CE1-CD2 4.39Å; Y210-F1199 HydrophobicContact CG-CD2 4.4Å; Y210-F1199 HydrophobicContact CG-CE2 4.17Å; Y210-F1199 VanDerWaalsContact O-CZ 3.31Å; Y210-F1199 WeakPolarHBondContact O-CZ 3.45Å; Y210-L1636 HydrophobicContact CE2-CD1 4.27Å
211H86.5Confident87.1Confident68 Ų6829.2 Ų29.232%0.31514%0.138SC..Hα-helixtrans-67.2-32.4-179.7-16889.8000113.3W207 F208 L1084W207-H211 PolarHBondContact O-N 2.62Å; W207-H211 VanDerWaalsContact O-N 3.15Å; F208-H211 PolarHBondContact O-N 2.72Å; H211-L1084 HydrophobicContact CB-CD1 4.38Å
212Y87.5Confident86.6Confident17 Ų1733.8 Ų33.87%0.06716%0.158CC..Hα-helixtrans-102.2-3-178.4-80.7-86.2000114.7F208 Y210 D214 K215 L216 Y992 E996F208-Y212 HydrophobicContact CD1-CD2 4.21Å; F208-Y212 AromaticContact CD2-CD2 3.66Å; F208-Y212 HydrophobicContact CD2-CD2 3.66Å; F208-Y212 AromaticContact CD2-CE2 3.93Å; F208-Y212 HydrophobicContact CD2-CE2 3.93Å; F208-Y212 AromaticContact CE1-CD2 3.96Å; F208-Y212 HydrophobicContact CE1-CD2 3.96Å; F208-Y212 HydrophobicContact CE1-CG 4.08Å; F208-Y212 AromaticContact CE2-CD2 3.35Å; F208-Y212 HydrophobicContact CE2-CD2 3.35Å; F208-Y212 AromaticContact CE2-CE2 3.45Å; F208-Y212 HydrophobicContact CE2-CE2 3.45Å; F208-Y212 VanDerWaalsContact CE2-CE2 3.45Å; F208-Y212 HydrophobicContact CE2-CG 4.15Å; F208-Y212 HydrophobicContact CG-CD2 4.08Å; F208-Y212 HydrophobicContact CZ-CD1 4.48Å; F208-Y212 AromaticContact CZ-CD2 3.52Å; F208-Y212 HydrophobicContact CZ-CD2 3.52Å; F208-Y212 AromaticContact CZ-CE2 3.95Å; F208-Y212 HydrophobicContact CZ-CE2 3.95Å; F208-Y212 AromaticContact CZ-CG 3.83Å; F208-Y212 HydrophobicContact CZ-CG 3.83Å; F208-Y212 PolarHBondContact O-N 3.2Å; Y210-Y212 VanDerWaalsContact C-N 3.34Å; Y210-Y212 PolarHBondContact O-N 3.44Å; Y212-D214 PolarHBondContact O-N 2.7Å; Y212-K215 HydrophobicContact CD1-CB 4.46Å; Y212-K215 HydrophobicContact CD1-CD 3.53Å; Y212-K215 HydrophobicContact CE1-CD 3.71Å; Y212-K215 PolarHBondContact O-N 3.37Å; Y212-L216 WeakPolarHBondContact O-CB 3.36Å; Y212-L216 WeakPolarHBondContact O-CG 3.49Å; Y212-L216 PolarHBondContact O-N 2.72Å; Y212-Y992 HydrophobicContact CD1-CD1 4.06Å; Y212-Y992 HydrophobicContact CD1-CD2 4.35Å; Y212-Y992 AromaticContact CD1-CG 3.87Å; Y212-Y992 HydrophobicContact CD1-CG 3.87Å; Y212-Y992 AromaticContact CE1-CD1 3.88Å; Y212-Y992 HydrophobicContact CE1-CD1 3.88Å; Y212-Y992 HydrophobicContact CE1-CG 4.07Å; Y212-E996 WeakPolarHBondContact CE2-OE2 3.4Å; Y212-E996 PolarHBondContact OH-OE2 2.94Å
213R83.9Confident85.6Confident20 Ų2036.1 Ų36.18%0.07517%0.169CC..Hα-helixtrans-40.1-58.1-177.8178.7-159.2-176.6-135.625.5114.1P209 L216 K217 M973 L974 F1199 Y1256P209-R213 WeakPolarHBondContact O-CA 3.11Å; P209-R213 WeakPolarHBondContact O-CB 3.48Å; P209-R213 PolarHBondContact O-N 2.65Å; P209-R213 VanDerWaalsContact O-N 3.12Å; R213-L216 PolarHBondContact O-N 3.5Å; R213-K217 WeakPolarHBondContact O-CB 3.42Å; R213-K217 PolarHBondContact O-N 2.73Å; R213-M973 HydrophobicContact CB-CE 4.47Å; R213-M973 HydrophobicContact CB-SD 4.2Å; R213-M973 HydrophobicContact CG-CE 4.07Å; R213-M973 HydrophobicContact CG-SD 3.87Å; R213-L974 HydrophobicContact CG-CD2 4.32Å; R213-F1199 HydrophobicContact CB-CE1 4.48Å; R213-F1199 VanDerWaalsContact CD-CE1 3.41Å; R213-Y1256 PolarHBondContact NH1-OH 3.35Å; R213-Y1256 VanDerWaalsContact NH1-OH 3.15Å
214D81.1Confident84.6Confident38 Ų3838.3 Ų38.320%0.20318%0.181CC..Hα-helixtrans-74-35-169.4-57.4-34.6000111.2Y212 K217 E218 Q1091 Y1256Y212-D214 PolarHBondContact O-N 2.7Å; D214-K217 PolarHBondContact O-N 3.15Å; D214-E218 WeakPolarHBondContact O-CB 3.36Å; D214-E218 PolarHBondContact O-N 3.5Å; D214-Q1091 PolarHBondContact OD2-NE2 2.72Å; D214-Y1256 PolarHBondContact OD2-OH 2.66Å
215K85.1Confident83.2Confident89 Ų8940.8 Ų40.839%0.38720%0.197SC..Hα-helixtrans-63.3-46.1171.2-65.1167.1-179.2164.20111.3Y212 E218 S219Y212-K215 HydrophobicContact CD1-CB 4.46Å; Y212-K215 HydrophobicContact CD1-CD 3.53Å; Y212-K215 HydrophobicContact CE1-CD 3.71Å; Y212-K215 PolarHBondContact O-N 3.37Å; K215-E218 PolarHBondContact O-N 2.65Å; K215-S219 WeakPolarHBondContact O-CB 3.27Å; K215-S219 PolarHBondContact O-N 2.7Å; K215-S219 PolarHBondContact O-OG 2.7Å
216L86.1Confident81.4Confident0 Ų044.7 Ų44.70%022%0.218CC..Hα-helixtrans-61.7-43.5177-74.3165.3000111.4Y212 R213 L220 T970 L974 L985 L988 Y992Y212-L216 WeakPolarHBondContact O-CB 3.36Å; Y212-L216 WeakPolarHBondContact O-CG 3.49Å; Y212-L216 PolarHBondContact O-N 2.72Å; R213-L216 PolarHBondContact O-N 3.5Å; L216-L220 WeakPolarHBondContact O-CB 2.98Å; L216-L220 PolarHBondContact O-N 3.13Å; L216-T970 HydrophobicContact CD1-CG2 3.85Å; L216-L974 HydrophobicContact CB-CD1 4.22Å; L216-L985 HydrophobicContact CB-CD1 4.16Å; L216-L985 HydrophobicContact CD2-CD1 4.27Å; L216-L988 HydrophobicContact CD2-CB 3.73Å; L216-Y992 HydrophobicContact CD2-CD2 3.73Å; L216-Y992 HydrophobicContact CD2-CE2 4Å; L216-Y992 HydrophobicContact CG-CD2 4.3Å; L216-Y992 HydrophobicContact CG-CE2 4.48Å
217K83Confident79.5Confident93 Ų9346.8 Ų46.840%0.40424%0.237SC..Hα-helixtrans-65.6-41175.8-173.2177.1179.7179.20112.3R213 D214 N221 L974R213-K217 WeakPolarHBondContact O-CB 3.42Å; R213-K217 PolarHBondContact O-N 2.73Å; D214-K217 PolarHBondContact O-N 3.15Å; K217-N221 WeakPolarHBondContact O-CB 3.07Å; K217-N221 PolarHBondContact O-N 3.2Å; K217-N221 PolarHBondContact O-ND2 2.71Å; K217-L974 HydrophobicContact CB-CD2 4.03Å; K217-L974 HydrophobicContact CD-CD2 4.2Å; K217-L974 HydrophobicContact CG-CD2 4.27Å
218E84.3Confident77.2Confident106 Ų10649.1 Ų49.150%0.49526%0.257SS..Hα-helixtrans-67.1-45.3177.1-162.7-165165.800111.6D214 K215 N221 K222D214-E218 WeakPolarHBondContact O-CB 3.36Å; D214-E218 PolarHBondContact O-N 3.5Å; K215-E218 PolarHBondContact O-N 2.65Å; E218-N221 PolarHBondContact O-N 3.27Å; E218-K222 WeakPolarHBondContact O-CG 3.38Å; E218-K222 PolarHBondContact O-N 2.76Å; E218-K222 WeakPolarHBondContact OE1-CE 3.45Å; E218-K222 IonicContact OE1-NZ 3.51Å; E218-K222 PolarHBondContact OE1-NZ 2.79Å; E218-K222 IonicContact OE2-NZ 2.99Å
219S85Confident74.9Confident20 Ų2054.5 Ų54.514%0.1428%0.28CS..Hα-helixtrans-65.5-43.6177.2-66.90000112.3K215 N221 K222 E223 Y992K215-S219 WeakPolarHBondContact O-CB 3.27Å; K215-S219 PolarHBondContact O-N 2.7Å; K215-S219 PolarHBondContact O-OG 2.7Å; S219-N221 VanDerWaalsContact C-N 3.31Å; S219-N221 PolarHBondContact O-N 3.37Å; S219-K222 WeakPolarHBondContact O-CB 3.49Å; S219-K222 PolarHBondContact O-N 2.59Å; S219-K222 VanDerWaalsContact O-N 3.14Å; S219-E223 PolarHBondContact O-N 2.92Å; S219-Y992 PolarHBondContact OG-OH 2.91Å
220L81.2Confident72.5Confident14 Ų1460.4 Ų60.47%0.07331%0.306CS..Hα-helixtrans-59.5-41.9172.7-178.964.4000111.2L216 N224 I984 L988L216-L220 WeakPolarHBondContact O-CB 2.98Å; L216-L220 PolarHBondContact O-N 3.13Å; L220-N224 WeakPolarHBondContact O-CB 3.05Å; L220-N224 PolarHBondContact O-N 2.8Å; L220-N224 PolarHBondContact O-ND2 2.86Å; L220-I984 HydrophobicContact CD1-CB 4.3Å; L220-I984 HydrophobicContact CD1-CG2 3.76Å; L220-L988 HydrophobicContact CB-CD1 4.3Å
221N79.9Confident69.9Low91 Ų9164.6 Ų64.649%0.48733%0.33SS..Hα-helixtrans-64-41.2174.7-75.6-18.7000112K217 E218 S219 N224 T225K217-N221 WeakPolarHBondContact O-CB 3.07Å; K217-N221 PolarHBondContact O-N 3.2Å; K217-N221 PolarHBondContact O-ND2 2.71Å; E218-N221 PolarHBondContact O-N 3.27Å; S219-N221 VanDerWaalsContact C-N 3.31Å; S219-N221 PolarHBondContact O-N 3.37Å; N221-N224 PolarHBondContact O-N 3.04Å; N221-T225 WeakPolarHBondContact O-CG2 3.48Å; N221-T225 PolarHBondContact O-N 3.17Å
222K79.1Confident67.3Low96 Ų9668.2 Ų68.242%0.41735%0.346SS..Hα-helixtrans-60.3-54.3176.3-74.7166.7-177.6165.80111.3E218 S219 N224 T225 D226E218-K222 WeakPolarHBondContact O-CG 3.38Å; E218-K222 PolarHBondContact O-N 2.76Å; E218-K222 WeakPolarHBondContact OE1-CE 3.45Å; E218-K222 IonicContact OE1-NZ 3.51Å; E218-K222 PolarHBondContact OE1-NZ 2.79Å; E218-K222 IonicContact OE2-NZ 2.99Å; S219-K222 WeakPolarHBondContact O-CB 3.49Å; S219-K222 PolarHBondContact O-N 2.59Å; S219-K222 VanDerWaalsContact O-N 3.14Å; K222-N224 VanDerWaalsContact C-N 3.32Å; K222-N224 PolarHBondContact O-N 3.21Å; K222-T225 CarbonylContact O-C 3.59Å; K222-T225 WeakPolarHBondContact O-CA 3.13Å; K222-T225 PolarHBondContact O-N 2.76Å; K222-T225 PolarHBondContact O-OG1 3.03Å; K222-D226 PolarHBondContact O-N 3.42Å
223E68.4Low64.7Low49 Ų4973.2 Ų73.223%0.22937%0.373CS..Hα-helixtrans-58.7-40.2178.6-74.4-179.4122.600112.2S219 T225 D226 A227 I984 L988S219-E223 PolarHBondContact O-N 2.92Å; E223-T225 PolarHBondContact O-N 3.31Å; E223-D226 PolarHBondContact O-N 3.09Å; E223-A227 WeakPolarHBondContact O-CB 3.27Å; E223-A227 PolarHBondContact O-N 3.31Å; E223-I984 WeakPolarHBondContact OE2-CG2 3.36Å; E223-L988 WeakPolarHBondContact OE2-CD1 3.33Å
224N66.8Low62.3Low53 Ų5380.9 Ų80.928%0.28341%0.408SS..Hα-helixtrans-61-41.1171.4-79.8-75.2000112.4L220 N221 K222 A228 Q981L220-N224 WeakPolarHBondContact O-CB 3.05Å; L220-N224 PolarHBondContact O-N 2.8Å; L220-N224 PolarHBondContact O-ND2 2.86Å; N221-N224 PolarHBondContact O-N 3.04Å; K222-N224 VanDerWaalsContact C-N 3.32Å; K222-N224 PolarHBondContact O-N 3.21Å; N224-A228 WeakPolarHBondContact O-CB 3.09Å; N224-A228 PolarHBondContact O-N 3.5Å; N224-A228 VanDerWaalsContact O-N 3.16Å; N224-Q981 PolarHBondContact OD1-NE2 3.26Å
225T62.9Low60Low66 Ų6684.9 Ų84.941%0.40543%0.429SS..Hα-helixtrans-72.7-30.7177.565.70000113.5N221 K222 E223 K229N221-T225 WeakPolarHBondContact O-CG2 3.48Å; N221-T225 PolarHBondContact O-N 3.17Å; K222-T225 CarbonylContact O-C 3.59Å; K222-T225 WeakPolarHBondContact O-CA 3.13Å; K222-T225 PolarHBondContact O-N 2.76Å; K222-T225 PolarHBondContact O-OG1 3.03Å; E223-T225 PolarHBondContact O-N 3.31Å; T225-K229 WeakPolarHBondContact O-CB 3.11Å; T225-K229 WeakPolarHBondContact O-CD 3.12Å; T225-K229 WeakPolarHBondContact O-CE 3.36Å; T225-K229 WeakPolarHBondContact O-CG 3.1Å; T225-K229 PolarHBondContact O-N 2.78Å; T225-K229 PolarHBondContact OG1-NZ 3.49Å
226D53.4Low57.6Low82 Ų8289.5 Ų89.544%0.43945%0.449SS..Hα-helixtrans-80.4-30.3-179.3-68.1-35.1000111.7K222 E223 K229 K230K222-D226 PolarHBondContact O-N 3.42Å; E223-D226 PolarHBondContact O-N 3.09Å; D226-K229 IonicContact OD1-NZ 3.68Å; D226-K229 PolarHBondContact OD1-NZ 3.49Å; D226-K230 PolarHBondContact O-N 2.71Å
227A51.8Low54.8Low55 Ų5597.6 Ų97.646%0.45549%0.487SS..Hα-helixtrans-59.3-55.9162.300000111.2E223 K229 K230 D231E223-A227 WeakPolarHBondContact O-CB 3.27Å; E223-A227 PolarHBondContact O-N 3.31Å; A227-K229 PolarHBondContact O-N 3.26Å; A227-K230 WeakPolarHBondContact O-CB 3.43Å; A227-K230 PolarHBondContact O-N 3.07Å; A227-D231 PolarHBondContact O-N 3.3Å
228A44.5Very low52.4Low51 Ų5199.9 Ų99.942%0.42151%0.508SS..Hα-helixtrans-62.2-26.8-179.100000114.1N224 H232N224-A228 WeakPolarHBondContact O-CB 3.09Å; N224-A228 PolarHBondContact O-N 3.5Å; N224-A228 VanDerWaalsContact O-N 3.16Å; A228-H232 PolarHBondContact O-N 2.75Å
229K44.1Very low49.8Very low118 Ų118100 Ų10051%0.51352%0.521SS..Hα-helixtrans-72-35.2171.6-75.9165.4-146.91550112.7T225 D226 A227 D231 H232 L233T225-K229 WeakPolarHBondContact O-CB 3.11Å; T225-K229 WeakPolarHBondContact O-CD 3.12Å; T225-K229 WeakPolarHBondContact O-CE 3.36Å; T225-K229 WeakPolarHBondContact O-CG 3.1Å; T225-K229 PolarHBondContact O-N 2.78Å; T225-K229 PolarHBondContact OG1-NZ 3.49Å; D226-K229 IonicContact OD1-NZ 3.68Å; D226-K229 PolarHBondContact OD1-NZ 3.49Å; A227-K229 PolarHBondContact O-N 3.26Å; K229-D231 VanDerWaalsContact C-N 3.35Å; K229-H232 PolarHBondContact O-N 2.83Å; K229-L233 PolarHBondContact O-N 3.38Å
230K39.5Very low47Very low124 Ų124108.4 Ų108.454%0.53956%0.558SS.*Hα-helixtrans-62.5-43.8175.3-79-171.8173.6-171.10110.5D226 A227 E403D226-K230 PolarHBondContact O-N 2.71Å; A227-K230 WeakPolarHBondContact O-CB 3.43Å; A227-K230 PolarHBondContact O-N 3.07Å; K230-E403 PolarHBondContact NZ-O 3.34Å
231D34.6Very low44.3Very low107 Ų107116 Ų11657%0.57259%0.593SS**Hα-helixtrans-61.8-46.7177.3-61.9-30.8000112.1A227 K229 L233A227-D231 PolarHBondContact O-N 3.3Å; K229-D231 VanDerWaalsContact C-N 3.35Å; D231-L233 PolarHBondContact O-N 2.71Å
232H31.6Very low41.8Very low143 Ų143119.4 Ų119.466%0.66261%0.606SS**Hα-helixtrans-76.5-12.1-176.2-98.6-42.3000115.8A228 K229 F234A228-H232 PolarHBondContact O-N 2.75Å; K229-H232 PolarHBondContact O-N 2.83Å; H232-F234 VanDerWaalsContact C-N 3.3Å; H232-F234 PolarHBondContact O-N 2.94Å
233L33.5Very low39.3Very low122 Ų122124.3 Ų124.364%0.63963%0.627SS**G310 helixtrans-71.8-24.2-176.8-158.572.7000113K229 D231 D235K229-L233 PolarHBondContact O-N 3.38Å; D231-L233 PolarHBondContact O-N 2.71Å; L233-D235 VanDerWaalsContact C-N 3.35Å; L233-D235 PolarHBondContact O-N 3.34Å
234F31.9Very low37.2Very low182 Ų182130.8 Ų130.880%0.79866%0.659SS**G310 helixtrans-66.5-31.1-179.2-87.7-86.4000114H232 K236H232-F234 VanDerWaalsContact C-N 3.3Å; H232-F234 PolarHBondContact O-N 2.94Å; F234-K236 PolarHBondContact O-N 2.68Å
235D34.1Very low35.1Very low121 Ų121136.3 Ų136.365%0.64769%0.688SS**G310 helixtrans-90.111.8-164-158.638.4000114.8L233L233-D235 VanDerWaalsContact C-N 3.35Å; L233-D235 PolarHBondContact O-N 3.34Å
236K33.2Very low33.3Very low186 Ų186139.7 Ų139.781%0.80971%0.709SS**G310 helixtrans-136.95.4-177-79.9-166.8175.8177.20117.9F234F234-K236 PolarHBondContact O-N 2.68Å
237Q27.9Very low31.9Very low171 Ų171146.6 Ų146.680%0.79973%0.729SS**THydrogen-bonded Turntrans-93.36.7-180-78.9-164.4-28.400116.2
238V32.5Very low30.6Very low140 Ų140154 Ų15485%0.84875%0.751SS**THydrogen-bonded Turntrans-10315.7179.7-161.40000112.9
239S29.6Very low29.6Very low109 Ų109157.6 Ų157.676%0.76277%0.768SS**SBendtrans-152.250.3-175.8-730000116
240Q26.7Very low28.8Very low197 Ų197157.6 Ų157.692%0.92178%0.78SS**  trans-173.999.7139.2-106.3166.217.800110.8
241E25.2Very low28.1Very low173 Ų173156.1 Ų156.181%0.80878%0.777SS**  trans-74.5138.4170.8-68.6-169.511600111.6
242H27.1Very low27.5Very low162 Ų162157 Ų15775%0.7578%0.782SS**SBendtrans76.2135162.6-55.1-1.2000119.1
243K26.4Very low27.2Very low199 Ų199155 Ų15587%0.86577%0.772SS**  trans75.177.3162.4-54.5173.4-172.9173.10119
244M23.7Very low26.9Very low185 Ų185156.3 Ų156.391%0.91179%0.785SS**  176.9119.1107.5-98.9-168.7171.700111
245L23.7Very low26.4Very low169 Ų169153.8 Ų153.889%0.88578%0.775SS**  trans-153.571.9173.9-144.1161.8000111.3
246T25.2Very low26Very low137 Ų137154.6 Ų154.684%0.8478%0.778SS**  trans-139.551.6-178.442.20000112.3
247R22.8Very low25.5Very low227 Ų227151.8 Ų151.886%0.85777%0.771SS**  trans-156.360170.1-136.2177.2-160.4170.27118
248F24.4Very low25.2Very low210 Ų210154.3 Ų154.392%0.92178%0.775SS**  trans-131.1107146.4-76.9-69.9000108.9
249T23.5Very low24.9Very low127 Ų127156.3 Ų156.378%0.77978%0.775SS**  trans-70.1122.6-179.635.80000110.3
250P27.3Very low24.7Very low119 Ų119157.7 Ų157.777%0.77377%0.774SS**  trans-69.2154.617431.1-34.9000110.4
251I25.3Very low24.7Very low92 Ų92158.9 Ų158.947%0.47278%0.776SS.*  trans-108.3120.8-178.4-72.9178000109.5K253 M373 H375I251-K253 PolarHBondContact O-N 3.31Å; I251-M373 HydrophobicContact CD1-CE 3.69Å; I251-M373 HydrophobicContact CD1-SD 3.96Å; I251-H375 WeakPolarHBondContact CG2-CE1 3.48Å; I251-H375 WeakPolarHBondContact CG2-NE2 3.35Å
252N22.6Very low24.5Very low126 Ų126155 Ų15567%0.67477%0.769SS**  trans-44.5130.4179.1-48.2-31.9000111.7
253K23.9Very low24.3Very low102 Ų102154.6 Ų154.644%0.44377%0.772SS.*  -163.8128.369-91.1173.6157.2-85.10112.2I251 E255 S378I251-K253 PolarHBondContact O-N 3.31Å; K253-E255 IonicContact NZ-OE2 2.63Å; K253-E255 PolarHBondContact NZ-OE2 3.5Å; K253-S378 PolarHBondContact NZ-OG 2.85Å
254T27.7Very low24.3Very low149 Ų149152.2 Ų152.291%0.91477%0.769SS**  trans-130.3119.4164.6-48.10000108.2
255E22.7Very low24.3Very low129 Ų129154.3 Ų154.360%0.60377%0.766SS**  trans-148.9122.4-174.2-86176.5131.500106.4K253K253-E255 IonicContact NZ-OE2 2.63Å; K253-E255 PolarHBondContact NZ-OE2 3.5Å
256I24.5Very low24.2Very low138 Ų138150.9 Ų150.971%0.70876%0.757SS**SBendcis-150.1145.11.1-77.8179.4000109
257L22.1Very low24.3Very low126 Ų126153.9 Ų153.966%0.6676%0.758SS**  trans60.7137.4168.8-70.4162.2000117.6
258Y22.8Very low24.4Very low224 Ų224153.6 Ų153.688%0.87876%0.757SS**  cis-119.1122.610.6-76.9-103.3000112.9
259E25.4Very low24.4Very low182 Ų182150.9 Ų150.985%0.8575%0.752SS**  trans-144.8133.1152.2-117.2-175.5176.600106.8
260N25.2Very low24.6Very low138 Ų138151.9 Ų151.974%0.73875%0.753SS**  trans-172.267.4168.7-109.1-20.8000112.4
261F26.5Very low24.3Very low222 Ų222154.3 Ų154.397%0.97476%0.758SS**  trans-138.171.2154-89.1-67.2000108.8
262S22.1Very low24.2Very low93 Ų93160 Ų16065%0.6577%0.774SS**  trans-91.4140.9173.6-54.90000110.5
263D22.9Very low24.1Very low153 Ų153159.3 Ų159.382%0.81877%0.774SS**  trans59.3160.8155.3-63.8-46.6000117.9
264D25.5Very low24.1Very low148 Ų148162.2 Ų162.279%0.79179%0.791SS**  cis-146.617119.1-167.611.2000112.5
265R23.7Very low24.1Very low229 Ų229160.2 Ų160.286%0.86478%0.783SS**  trans-90.8109.1-176.9-59.3174.2179.7-171.1-0.8113.4
266S23.3Very low24.4Very low98 Ų98161.1 Ų161.169%0.68579%0.792SS**  trans-163.7153.6148.9720000110.7
267K26.4Very low25Very low199 Ų199161.9 Ų161.987%0.86580%0.798SS**  cis-142.4169.23-112.8130.9-170.3167.80109.6
268R25Very low25.3Very low221 Ų221164.8 Ų164.883%0.83481%0.808SS**  trans-107.3138.9170.1-174.2-173.3-162.6164.86.3109
269N24.7Very low25.5Very low153 Ų153161.6 Ų161.682%0.81881%0.807SS**  trans166.2143.7141.8-87.1-3000112.3
270D26.2Very low25.7Very low148 Ų148160.1 Ų160.179%0.79181%0.805SS**  trans-99.8132.4179.8-43-97.5000112.1
271L22.2Very low25.6Very low171 Ų171161.6 Ų161.690%0.89581%0.81SS**  trans-176.2153.9151.5-127.765.7000109.4
272R22.1Very low25.5Very low211 Ų211158.8 Ų158.880%0.79680%0.803SS**  cis171.7137-38.5-163.8-174.2-165.5-167.43.9106.4
273T20.5Very low25.4Very low111 Ų111159.4 Ų159.468%0.68181%0.807SS**  trans75.5149.8154.926.50000123.2
274M24.6Very low25.3Very low163 Ų163159.1 Ų159.180%0.80380%0.804SS**  trans85.8134.5174-54.4-62.895.300115.8
275S26.9Very low25Very low107 Ų107158 Ų15875%0.74880%0.803SS**  cis-161.2176.5-12.547.50000110.8
276N30.6Very low25.3Very low148 Ų148152.3 Ų152.379%0.79179%0.793SS**  trans-75.2148177.5-46.2-17.2000112.4
277D36.5Very low25.6Very low155 Ų155153.3 Ų153.383%0.82980%0.798SS**  trans166.8155.6139.1-83.8-23.6000109.6
278E28.4Very low25.3Very low187 Ų187151.7 Ų151.787%0.87479%0.791SS**  trans62159.4-178.5-61.8-177.2-169.600117.6
279D27.6Very low25.2Very low157 Ų157146 Ų14684%0.8478%0.777SS**  -159.8166.8-57.1-114.9-37.9000110.1
280D28.8Very low25.1Very low151 Ų151146 Ų14681%0.80777%0.77SS**  trans-76.1158.5-174.7-87-52.1000115.8
281I22.8Very low25Very low168 Ų168145.6 Ų145.686%0.86277%0.767SS**  -176.5145.2121.6-95158.6000115.8
282M24.2Very low25Very low164 Ų164145.5 Ų145.581%0.80876%0.762SS**  trans-63.5169.2178-89-95.5-160.400118.4
283S20.3Very low25.1Very low105 Ų105142 Ų14273%0.73476%0.764SS**  trans75.2131.1152.364.50000118.1
284L21.4Very low25.2Very low148 Ų148142.5 Ų142.578%0.77576%0.762SS**  cis76.79347.9-147.8-176.9000113.1
285T19.5Very low25.1Very low123 Ų123140.8 Ų140.876%0.75576%0.755SS**  175.6121.6128.626.90000116
286V29.5Very low24.9Very low110 Ų110141.9 Ų141.967%0.66775%0.753SS**  29.5121.2124.1-177.20000119.3K288V286-K288 HydrophobicContact CG1-CG 3.94Å
287P28.4Very low24.6Very low120 Ų120146.5 Ų146.578%0.77976%0.759SS**  -116.9135.4112.729.8-22.2000110.5
288K22Very low24Very low164 Ų164145.6 Ų145.671%0.71376%0.759SS**  62.813362.7-70.3-170.3176.81800112.2V286V286-K288 HydrophobicContact CG1-CG 3.94Å
289D22.5Very low23.9Very low102 Ų102142.9 Ų142.955%0.54576%0.761SS.*  cis-167.8159.98.1-121.3-3.3000109.5
290K22.4Very low23.6Very low154 Ų154138.9 Ų138.967%0.6776%0.757SS**  trans69.9155.6147.7-68.2175.4178.794.80119
291D23.3Very low23.7Very low138 Ų138139.9 Ų139.974%0.73876%0.762SS**  cis-148.1169.2-6.5-114.9-27.2000111.9
292E23.1Very low24.8Very low169 Ų169137.9 Ų137.979%0.7976%0.759SS**  trans-74.4161.3-179.1-52.2178.4129.900114.6
293V24.5Very low24.7Very low137 Ų137132.9 Ų132.983%0.8375%0.75SS**  trans161109.7138157.40000107.3
294N22.1Very low24.9Very low122 Ų122138.3 Ų138.365%0.65276%0.761SS**  cis93144.632.7-159.41.6000114.1
295I22.3Very low24.9Very low127 Ų127136 Ų13665%0.65176%0.756SS**  trans82.184.5168.3-43.2-175.4000118.9
296N23.3Very low25Very low131 Ų131135.3 Ų135.370%0.70176%0.757SS**  40.5132117.9-49.5-38.5000121.8
297R23.9Very low24.7Very low244 Ų244134.7 Ų134.792%0.92176%0.763SS**  -177.9167.8104.7-98.6168.6-174-179.84115.5
298T24.2Very low24.3Very low136 Ų136139.4 Ų139.483%0.83477%0.767SS**  trans-125.1142.1-163.451.50000115
299S25.3Very low24.3Very low130 Ų130138.7 Ų138.791%0.90977%0.771SS**  trans-175.2154.715652.30000109.7
300G21.7Very low24.4Very low73 Ų73143.2 Ų143.275%0.75379%0.786SS**  cis165.6141.8-6.700000111.1
301L30.9Very low24.3Very low173 Ų173145.3 Ų145.391%0.90680%0.795SS**  trans-76.2175.9174.5-71.481.2000111.6
302P46.6Very low24.3Very low125 Ų125147.5 Ų147.581%0.81280%0.801SS**  cis-122.7-160.5-0.743.5-26.5000112.2
303G21.3Very low24.2Very low60 Ų60147.6 Ų147.662%0.61980%0.801SS**  cis126.2147.3-5.400000114.5
304K24.2Very low24.1Very low219 Ų219147.8 Ų147.895%0.95280%0.796SS**  trans74.9156.4-169.5-60.3178.9-178.7178.40114.4
305S21.7Very low24.1Very low98 Ų98149.8 Ų149.869%0.68581%0.805SS**  cis-168.7147.2-19.9169.60000111.1
306S21.9Very low24.2Very low109 Ų109147.2 Ų147.276%0.76281%0.81SS**  trans62.8153.7148.957.20000123.3
307A23.3Very low24.3Very low97 Ų97151 Ų15180%0.80282%0.82SS**  trans108.4112.7150.900000119.2
308Y19.9Very low24.4Very low219 Ų219145.8 Ų145.886%0.85982%0.815SS**  trans-50.6142.5163.2-76.8-121000113.2
309N22.8Very low24.5Very low149 Ų149146.5 Ų146.580%0.79781%0.814SS**  175.3164.6101.4-100.6-64.2000116.3
310K23.9Very low24.4Very low198 Ų198146.7 Ų146.786%0.86181%0.81SS**  trans67.8125.9161.5-85.1-175.6174.2-179.50120.7
311K21.1Very low24.6Very low198 Ų198151 Ų15186%0.86182%0.816SS**  trans-56.9136.1157.2-54.1166176.2178.10110.7
312Q22.9Very low24.2Very low184 Ų184149 Ų14986%0.8681%0.811SS**  -167.5128.9124.9-109.2167-33.600113.8
313E19.6Very low23.1Very low170 Ų170148.5 Ų148.579%0.79481%0.81SS**  trans-18.2155.6161.4-72166.8151.400122.8
314I22.3Very low23.1Very low141 Ų141154.4 Ų154.472%0.72382%0.819SS**  trans94.3104.4143.5-75.3157.5000121.1
315I23.6Very low23Very low165 Ų165150.4 Ų150.485%0.84680%0.803SS**  trans60.2119.9138.8-56175.7000120.4
316G23.7Very low23Very low73 Ų73153.2 Ų153.275%0.75381%0.811SS**  trans-163.7101.4168.600000115.7
317K24.6Very low23Very low209 Ų209151.7 Ų151.791%0.90981%0.812SS**  trans-28140.9175-59.4166.1178.3175.90118.6
318V27Very low23Very low136 Ų136154.4 Ų154.482%0.82481%0.813SS**  trans-133.4135.4155.1178.80000111.7
319N26.1Very low23.1Very low151 Ų151151.4 Ų151.481%0.80781%0.807SS**  trans-26.8138.3-179.3-53.3-17.1000120.4
320T22.9Very low23.2Very low134 Ų134151.2 Ų151.282%0.82281%0.806SS**  trans-95.9150.5152.644.30000110.6
321N25.4Very low23.2Very low164 Ų164150 Ų15088%0.87781%0.807SS**  trans-126.7155.8165.1-97-17.6000109.6
322T23.2Very low23.3Very low131 Ų131150.5 Ų150.580%0.80480%0.804SS**  trans-108.7143.5-156.543.60000115.1
323S23.7Very low23.3Very low113 Ų113145.2 Ų145.279%0.7980%0.798SS**  trans-176.996.8135.229.50000113.6
324K21.6Very low23.5Very low185 Ų185145.3 Ų145.380%0.80480%0.796SS**  trans59.9142.8157-65.4172.9161.5-115.70118.3
325E20.9Very low23.5Very low135 Ų135144.1 Ų144.163%0.63180%0.8SS**  cis-152.1145.22.7-125.8157.7-133.100111.2
326N22.3Very low23.6Very low157 Ų157142.6 Ų142.684%0.8480%0.798SS**  trans45.6111.3158-57.1-19.2000121.7
327G22.9Very low23.5Very low77 Ų77143.9 Ų143.979%0.79480%0.796SS**  trans179.3130.8160.700000112.7
328N22.2Very low23.5Very low154 Ų154143.4 Ų143.482%0.82479%0.794SS**  trans-95.9141.1-171.6-95.310.2000114.8
329E21.9Very low23.3Very low156 Ų156147.5 Ų147.573%0.72980%0.795SS**  trans72.7148.4142.2-75.3-172.5-159.800124
330N25.5Very low24Very low144 Ų144146.1 Ų146.177%0.7779%0.794SS**  trans76.991.7153.4-62.8-37.9000120.9
331I23.9Very low24.1Very low174 Ų174147.4 Ų147.489%0.89280%0.796SS**  trans-62.1130.3164.6-60.6156.2000111.9
332R23.6Very low24Very low208 Ų208148.5 Ų148.579%0.78580%0.796SS**  trans-158.1106.2139.6-157.3173.8-168.3173.37.4114
333G21.7Very low24.1Very low72 Ų72151.6 Ų151.674%0.74280%0.801SS**  trans-74.3140.5163.200000111.8
334K24.2Very low24Very low172 Ų172155 Ų15575%0.74880%0.801SS**  trans-143.1132162.1-96-167.3171.7-171.50109.6
335S22.1Very low24.1Very low116 Ų116152.6 Ų152.681%0.81180%0.802SS**  trans-70.7131.1173.846.30000111.3S337S335-S337 PolarHBondContact O-N 3.26Å
336V26.5Very low24.1Very low134 Ų134151.9 Ų151.981%0.81281%0.811SS**  trans-79.487.1177.4-177.10000109.6
337S21.5Very low24.1Very low100 Ų100151.3 Ų151.370%0.69981%0.806SS**  trans-78.7123.7167.8-178.10000109.5S335 R339S335-S337 PolarHBondContact O-N 3.26Å; S337-R339 PolarHBondContact O-N 3.44Å
338F23.5Very low24.1Very low199 Ų199152.2 Ų152.287%0.87381%0.806SS**  trans-72.4108.1169.8-87-97.6000110
339R22.9Very low24.1Very low222 Ų222152.9 Ų152.984%0.83880%0.804SS**  trans-134.8134.7150.2-82.3-164.2172.4-161.5-2.4109.4S337S337-R339 PolarHBondContact O-N 3.44Å
340P42.1Very low24.2Very low122 Ų122151.8 Ų151.879%0.79280%0.803SS**  trans-73.3146.1173.932.4-34.1000109.9
341N23.4Very low24.1Very low160 Ų160153.7 Ų153.786%0.85681%0.808SS**  trans-127.3142.2163.6-102.412.9000108.7E343N341-E343 PolarHBondContact O-N 2.84Å
342E24.6Very low24Very low188 Ų188149.1 Ų149.188%0.87980%0.804SS**  trans-82.7108.6-172.4-54.6162.8140.100111
343E24Very low24.1Very low195 Ų195146.2 Ų146.291%0.91181%0.809SS**  trans-106.583.1164.7-68.5-151.2134.600111.4N341N341-E343 PolarHBondContact O-N 2.84Å
344K23.2Very low24.2Very low184 Ų184148.1 Ų148.180%0.881%0.811SS**  trans10.4120.9149.1-66.4170.3-178170.90116.6C346K344-C346 PolarHBondContact O-N 3.34Å
345V22.4Very low24.2Very low136 Ų136149 Ų14982%0.82482%0.817SS**  trans-52.6100.1165.2-179.50000110.9I347V345-I347 HydrophobicContact CG1-CG1 4.24Å; V345-I347 PolarHBondContact O-N 3.41Å
346C21.6Very low24.3Very low119 Ų119155.2 Ų155.280%0.80482%0.823SS**  trans-81.2107163.7-820000109.2K344 A348K344-C346 PolarHBondContact O-N 3.34Å; C346-A348 PolarHBondContact O-N 3.5Å; C346-A348 VanDerWaalsContact O-N 3.09Å
347I22.8Very low24.1Very low146 Ų146153.6 Ų153.675%0.74982%0.817SS**  trans-68.2105.7173.7-60.3172.2000108.4V345 Q349V345-I347 HydrophobicContact CG1-CG1 4.24Å; V345-I347 PolarHBondContact O-N 3.41Å; I347-Q349 HydrophobicContact CG2-CG 4.25Å
348A23.6Very low24.3Very low96 Ų96154.1 Ų154.179%0.79382%0.819SS**  trans-114.798.3169.800000108.9C346C346-A348 PolarHBondContact O-N 3.5Å; C346-A348 VanDerWaalsContact O-N 3.09Å
349Q22.2Very low24.3Very low168 Ų168156.3 Ų156.379%0.78582%0.821SS**  trans-73.9125.8170.3-63.7168-44.700108.7I347I347-Q349 HydrophobicContact CG2-CG 4.25Å
350N22.9Very low24.4Very low132 Ų132153.4 Ų153.471%0.70682%0.817SS**  178.4130.4115.1-89.1-1.8000113.6
351E22.9Very low23.7Very low185 Ų185153.9 Ų153.986%0.86481%0.812SS**  trans45111.7133-53.1-173.5134.800120.5
352G23.5Very low23.7Very low78 Ų78156.9 Ų156.980%0.80481%0.811SS**  109.363.4115.900000119.4
353V24.1Very low23.9Very low147 Ų147153.6 Ų153.689%0.89179%0.794SS**  trans-127.3126.9153.6-175.50000110E355V353-E355 PolarHBondContact O-N 3.33Å
354S25Very low24.2Very low112 Ų112148 Ų14878%0.78378%0.777SS**  trans-60.5126-170.9178.20000113.9R356S354-R356 PolarHBondContact O-N 2.86Å; S354-R356 VanDerWaalsContact O-N 3.16Å
355E23.4Very low24.4Very low189 Ų189146.7 Ų146.788%0.88378%0.778SS**  trans-64.3110.4169.6-70.2-170127.600111V353 S357V353-E355 PolarHBondContact O-N 3.33Å; E355-S357 PolarHBondContact O-N 2.75Å
356R23.9Very low24.6Very low248 Ų248149.9 Ų149.994%0.93678%0.784SS**  trans-8288.1179-150.4175.1-164.6175.25.3109.9S354S354-R356 PolarHBondContact O-N 2.86Å; S354-R356 VanDerWaalsContact O-N 3.16Å
357S22.8Very low24.8Very low99 Ų99148.9 Ų148.969%0.69279%0.785SS**  trans-34.7127.4-173.1-172.20000114.9E355E355-S357 PolarHBondContact O-N 2.75Å
358P25.6Very low24.9Very low112 Ų112153.7 Ų153.773%0.72779%0.793SS**  trans-68.5142.3-179.628.9-34.6000111.5H360P358-H360 PolarHBondContact O-N 3.2Å
359R23.8Very low24.9Very low244 Ų244157.7 Ų157.792%0.92180%0.796SS**  trans-69.1102.2-174-67.8176.4176.7162.6-1.9111.6L361R359-L361 PolarHBondContact O-N 3.21Å
360H25.4Very low25.3Very low162 Ų162155.9 Ų155.975%0.7580%0.799SS**PPolyproline II helixtrans-51131.6162.3-91.8-98.4000110.6P358 R362P358-H360 PolarHBondContact O-N 3.2Å; H360-R362 PolarHBondContact O-N 3Å
361L26.1Very low25.2Very low131 Ų131155.3 Ų155.369%0.68681%0.805SS**PPolyproline II helixtrans-67.3130.3165.3-80.378.2000108.5R359R359-L361 PolarHBondContact O-N 3.21Å
362R24.5Very low25.1Very low223 Ų223157.7 Ų157.784%0.84281%0.806SS**PPolyproline II helixtrans-87.2131.6164.9-72.1-174.7174.2-171.7-2.9109.1H360 S364H360-R362 PolarHBondContact O-N 3Å; R362-S364 VanDerWaalsContact C-N 3.29Å; R362-S364 PolarHBondContact O-N 3.43Å; R362-S364 VanDerWaalsContact O-N 3.15Å
363F28.3Very low25.1Very low120 Ų120159.6 Ų159.653%0.52680%0.795SS.*SBendtrans-8176.7165.6-68-90.7000108.9
364S29.8Very low25Very low78 Ų78162.1 Ų162.155%0.54580%0.797SS.*  trans-169.1153.9169.6-11.20000112R362R362-S364 VanDerWaalsContact C-N 3.29Å; R362-S364 PolarHBondContact O-N 3.43Å; R362-S364 VanDerWaalsContact O-N 3.15Å
365D27.1Very low24.9Very low155 Ų155162.1 Ų162.183%0.82979%0.785SS**  trans60.187.7156.8-55.6-15.7000119.5
366Q27.4Very low24.8Very low203 Ų203157.9 Ų157.995%0.94978%0.776SS**  trans-106.169.6158.7-72.6-168-11.100112.3
367A25.7Very low24.8Very low99 Ų99152.8 Ų152.882%0.81877%0.766SS**  trans-116.168.2172.300000111.6
368R25.2Very low24.8Very low247 Ų247151.3 Ų151.393%0.93276%0.755SS**  trans-97.5112.9174.8-76-172.3173.7-171.8-2.3111.3
369Q23.1Very low24.7Very low179 Ų179153.9 Ų153.984%0.83676%0.76SS**  trans-66151167.3-75.6-169.2-11.800111.5S371Q369-S371 PolarHBondContact O-N 3.37Å; Q369-S371 VanDerWaalsContact O-N 3.14Å
370P30.2Very low24.7Very low131 Ų131147.8 Ų147.885%0.85176%0.755SS**  trans-80.396.7-17231.4-35.4000112.8R372P370-R372 PolarHBondContact O-N 3.12Å
371S22.2Very low24.9Very low119 Ų119145.5 Ų145.583%0.83275%0.754SS**  trans-75.1112.3170.257.10000111.4Q369 M373Q369-S371 PolarHBondContact O-N 3.37Å; Q369-S371 VanDerWaalsContact O-N 3.14Å; S371-M373 PolarHBondContact O-N 3.07Å
372R20.5Very low24.8Very low236 Ų236146 Ų14689%0.89176%0.757SS**  trans-65.8118.3-178.9169.5179.2166.8179.5-5113.2P370P370-R372 PolarHBondContact O-N 3.12Å
373M22.2Very low24.8Very low118 Ų118143.2 Ų143.258%0.58176%0.759SS**  trans30.9112.1140.4-173.8-168.7-60.900118.9I251 S371I251-M373 HydrophobicContact CD1-CE 3.69Å; I251-M373 HydrophobicContact CD1-SD 3.96Å; S371-M373 PolarHBondContact O-N 3.07Å
374E23Very low24.5Very low200 Ų200147.7 Ų147.794%0.93577%0.773SS**  trans-155.9154.8140.7-122.7164.3-133.300111
375H22.8Very low24.2Very low111 Ų111152.7 Ų152.751%0.51479%0.792SS.*  trans-130.5126.9-162.2-79.6-115.3000113.8I251I251-H375 WeakPolarHBondContact CG2-CE1 3.48Å; I251-H375 WeakPolarHBondContact CG2-NE2 3.35Å
376S21.8Very low24Very low101 Ų101152.3 Ų152.371%0.70679%0.789SS**  trans-171.1159.6148.658.50000113.2
377I23.9Very low23.8Very low141 Ų141147.5 Ų147.572%0.72377%0.774SS**  trans94.780.2-173.7-56.5160.9000110.8M379I377-M379 HydrophobicContact CG2-CE 4.37Å
378S22.6Very low23.8Very low67 Ų67153.1 Ų153.147%0.46978%0.78SS.*  48.692.270.5-78.80000113.8K253K253-S378 PolarHBondContact NZ-OG 2.85Å
379M22.5Very low23.7Very low167 Ų167144.6 Ų144.682%0.82376%0.758SS**  trans-115.3137.5156-77.4-75.898.300108.2I377 P381I377-M379 HydrophobicContact CG2-CE 4.37Å; M379-P381 WeakPolarHBondContact O-CD 3.36Å
380S24.2Very low23.8Very low116 Ų116143.3 Ų143.381%0.81176%0.757SS**  trans-78.1120.9-170.7-1770000111.9
381P29.4Very low23.5Very low114 Ų114142.8 Ų142.874%0.7476%0.757SS**  trans-96.298.4178.934.7-28.1000111.1M379M379-P381 WeakPolarHBondContact O-CD 3.36Å
382N23.8Very low23.5Very low140 Ų140143.5 Ų143.575%0.74975%0.751SS**  trans-159.985.1163.7-105.9-27.6000111.4
383D24.3Very low23.6Very low165 Ų165138.9 Ų138.988%0.88274%0.743SS**  trans-151.1132.8139.8-140.4-24.8000109.9
384R23.4Very low23.8Very low215 Ų215139.1 Ų139.181%0.81175%0.746SS**  trans-116.991.3-169.1-75.5-177.1174.3-174.2-1.8110.9L386R384-L386 PolarHBondContact O-N 3.28Å
385L23.3Very low23.9Very low182 Ų182133.1 Ų133.195%0.95373%0.73SS**  trans-76.2115.5168.8-82.3169.6000110.9
386L22.6Very low24Very low147 Ų147131.6 Ų131.677%0.7773%0.729SS**  trans-81.8128-168.4-89158.5000114R384R384-L386 PolarHBondContact O-N 3.28Å
387T23.8Very low24.3Very low102 Ų102129.7 Ų129.763%0.62671%0.713SS**  trans44.3109.6142.753.10000119.9
388K25.1Very low24.8Very low217 Ų217124.4 Ų124.494%0.94369%0.689SS**  trans-112.281.1135.4-80.1-170.3174.6-175.40109
389S24.2Very low25.1Very low69 Ų69126.7 Ų126.748%0.48370%0.695SS.*  trans-81.3-13.3-165.840.50000116.3
390N25Very low25.6Very low151 Ų151121.1 Ų121.181%0.80767%0.67SS**THydrogen-bonded Turntrans-90.4-4.9-158.9-64.922.3000115.7
391S23.5Very low26.1Very low120 Ų120117.8 Ų117.884%0.83965%0.65SS**THydrogen-bonded Turntrans-98-18.8-178.2173.70000114.2
392L21.9Very low26.4Very low135 Ų135117.2 Ų117.271%0.70764%0.641SS**SBendtrans-92.8-12.8-170.3-111.2163000114.6L394L392-L394 PolarHBondContact O-N 2.83Å
393L22.5Very low26.9Very low138 Ų138118.7 Ų118.772%0.72364%0.643SS**THydrogen-bonded Turntrans-83.2-14.7-162-152.2128.4000115.3
394L25.7Very low27.9Very low124 Ų124119.1 Ų119.165%0.64964%0.637SS**THydrogen-bonded Turntrans-90.8-18.6177.6-11671.2000114.3L392L392-L394 PolarHBondContact O-N 2.83Å
395A25.9Very low29.1Very low74 Ų74113.3 Ų113.361%0.61263%0.625SS**THydrogen-bonded Turntrans-90-4.7-169.100000115.2
396V24.8Very low30.7Very low79 Ų79107.3 Ų107.348%0.47960%0.599SS.*THydrogen-bonded Turntrans-932.2-170.4-174.50000112.7S398 D399V396-S398 PolarHBondContact O-N 3Å; V396-D399 PolarHBondContact O-N 3.16Å
397T28.9Very low32.9Very low61 Ų61103.8 Ų103.837%0.37458%0.583SS.*THydrogen-bonded Turntrans-63.3-11.7-170.948.90000115.9
398S33.4Very low35.4Very low30 Ų3099.4 Ų99.421%0.2156%0.556CS.*THydrogen-bonded Turntrans-86.3-15.1178.455.40000115.6V396 K882V396-S398 PolarHBondContact O-N 3Å; S398-K882 WeakPolarHBondContact O-CE 3.44Å; S398-K882 PolarHBondContact O-NZ 2.84Å
399D28.7Very low38.1Very low114 Ų11490.3 Ų90.361%0.6152%0.519SS*.SBendtrans-101.4-13.6-160.1-66.38.5000113.2V396 A401V396-D399 PolarHBondContact O-N 3.16Å; D399-A401 PolarHBondContact O-N 3.38Å
400V32.8Very low40.8Very low50 Ų5090.8 Ų90.830%0.30352%0.516SS..SBendtrans-73.9-15.1170.3-174.10000111.8N402 P420 L424V400-N402 VanDerWaalsContact C-N 3.3Å; V400-N402 PolarHBondContact O-N 3.08Å; V400-P420 HydrophobicContact CG1-CB 3.91Å; V400-L424 HydrophobicContact CB-CD2 4.46Å; V400-L424 HydrophobicContact CG2-CD2 4.25Å
401A35.6Very low43.3Very low47 Ų4786 Ų8639%0.38849%0.487SS..SBendtrans-71.486168.500000110.6D399 E403D399-A401 PolarHBondContact O-N 3.38Å; A401-E403 PolarHBondContact O-N 3.38Å
402N35.1Very low45.7Very low101 Ų10183.4 Ų83.454%0.5447%0.466SS..  trans-18.6116.6174.5-117.5-45.4000114.1V400 K404 V405V400-N402 VanDerWaalsContact C-N 3.3Å; V400-N402 PolarHBondContact O-N 3.08Å; N402-K404 PolarHBondContact O-N 3.07Å; N402-V405 HydrophobicContact CB-CG2 4.1Å; N402-V405 PolarHBondContact O-N 3.04Å
403E35.5Very low48.1Very low171 Ų17180 Ų8080%0.79945%0.448SS*.THydrogen-bonded Turntrans-59.3-3-178.4-67.6-160.2123.800116K230 A401K230-E403 PolarHBondContact NZ-O 3.34Å; A401-E403 PolarHBondContact O-N 3.38Å
404K44.2Very low50.7Low175 Ų17577.4 Ų77.476%0.76144%0.435SS*.THydrogen-bonded Turntrans-98.4-14.7179.6-60.3179.6-177.3174.40113.4N402N402-K404 PolarHBondContact O-N 3.07Å
405V48.5Very low53.2Low92 Ų9272.6 Ų72.656%0.55841%0.41SS*.  trans-107.678.7-172.4-171.40000110.7N402 V407N402-V405 HydrophobicContact CB-CG2 4.1Å; N402-V405 PolarHBondContact O-N 3.04Å; V405-V407 VanDerWaalsContact C-N 3.28Å; V405-V407 HydrophobicContact CG1-CB 4.5Å
406S57.7Low55.7Low57 Ų5774.6 Ų74.640%0.39941%0.407SS..  trans-97.344.1166.354.70000111
407V67.3Low58.2Low72 Ų7273.6 Ų73.644%0.43640%0.401SS..SBendtrans-136.7156.9-169.5-174.60000108.2V405V405-V407 VanDerWaalsContact C-N 3.28Å; V405-V407 HydrophobicContact CG1-CB 4.5Å
408L77.1Confident60.7Low11 Ų1170.9 Ų70.96%0.05838%0.384CS..  trans-54.3139.2172.5-74.6169.4000111.3L777 N780 V813 I818 Y876L408-L777 HydrophobicContact CD1-CD1 4.13Å; L408-N780 HydrophobicContact CD1-CB 3.55Å; L408-V813 HydrophobicContact CB-CG1 4.34Å; L408-V813 HydrophobicContact CD1-CG1 4.46Å; L408-V813 HydrophobicContact CD1-CG2 4.5Å; L408-I818 HydrophobicContact CD2-CD1 3.85Å; L408-I818 HydrophobicContact CD2-CG1 4.16Å; L408-Y876 HydrophobicContact CD2-CD2 3.97Å; L408-Y876 HydrophobicContact CD2-CE2 3.68Å
409P81.5Confident63.2Low25 Ų2571.3 Ų71.316%0.16238%0.381CS..  trans-67134.6174.426.7-32.9000110.9D814 I818 Y876P409-D814 HydrophobicContact CB-CB 4.49Å; P409-D814 PolarHBondContact O-N 3.01Å; P409-I818 HydrophobicContact CG-CG1 3.82Å; P409-Y876 WeakPolarHBondContact CD-OH 3.33Å
410L80.3Confident65.8Low80 Ų8068.8 Ų68.842%0.41937%0.371SS..BIsolated β-bridgetrans-111.5158.7174.8-57179.6000109.3T412 E812 V813L410-T412 PolarHBondContact O-N 3.24Å; L410-E812 WeakPolarHBondContact CA-O 3.37Å; L410-V813 HydrophobicContact CD2-CG2 3.86Å
411Y77.5Confident68.2Low49 Ų4969 Ų6919%0.19237%0.369CS..  trans-67.1123175.9-69.2-69.7000111.9H549 I553 F632 E812 D814Y411-H549 AromaticContact CE1-NE2 3.8Å; Y411-H549 AromaticContact CZ-CE1 3.92Å; Y411-H549 AromaticContact CZ-NE2 3.78Å; Y411-H549 PolarHBondContact OH-CE1 2.9Å; Y411-H549 PolarHBondContact OH-NE2 2.78Å; Y411-I553 HydrophobicContact CD1-CD1 3.61Å; Y411-I553 HydrophobicContact CD1-CG1 4.21Å; Y411-I553 HydrophobicContact CD1-CG2 4.34Å; Y411-I553 HydrophobicContact CD2-CG1 4.4Å; Y411-I553 HydrophobicContact CD2-CG2 4.33Å; Y411-I553 HydrophobicContact CE1-CD1 3.35Å; Y411-I553 HydrophobicContact CE1-CG1 4.02Å; Y411-I553 HydrophobicContact CE2-CD1 4.45Å; Y411-I553 HydrophobicContact CE2-CG1 4.23Å; Y411-I553 HydrophobicContact CG-CD1 4.26Å; Y411-I553 HydrophobicContact CG-CG1 4.39Å; Y411-I553 HydrophobicContact CG-CG2 4.01Å; Y411-F632 HydrophobicContact CD1-CZ 4.38Å; Y411-E812 WeakPolarHBondContact CD2-O 3.43Å; Y411-E812 PolarHBondContact N-O 2.88Å; Y411-D814 HydrophobicContact CD1-CB 3.79Å; Y411-D814 HydrophobicContact CD2-CB 4.41Å; Y411-D814 HydrophobicContact CE1-CB 3.67Å; Y411-D814 VanDerWaalsContact CE1-CG 3.4Å; Y411-D814 WeakPolarHBondContact CE1-OD1 3.06Å; Y411-D814 HydrophobicContact CE2-CB 4.3Å; Y411-D814 HydrophobicContact CG-CB 4.18Å
412T75.8Confident70.6Confident67 Ų6766.8 Ų66.841%0.41135%0.35SS..  trans-129.4116.4178.154.30000110.9L410L410-T412 PolarHBondContact O-N 3.24Å
413N71.8Confident73.2Confident62 Ų6264 Ų6433%0.33234%0.335SS..  trans-95.72.7179.5-59.2-7.9000112.9L415 F632N413-L415 PolarHBondContact O-N 3.47Å; N413-F632 WeakPolarHBondContact OD1-CE1 3.32Å
414D76.8Confident75.5Confident84 Ų8457.7 Ų57.745%0.44931%0.306SS..  trans-76.9119.9-177.4174.213.6000111.3E416 T417 L418D414-E416 PolarHBondContact O-N 2.76Å; D414-E416 PolarHBondContact OD1-N 3.11Å; D414-T417 HydrophobicContact CB-CG2 4.09Å; D414-T417 PolarHBondContact O-N 3.11Å; D414-T417 PolarHBondContact O-OG1 2.68Å; D414-L418 WeakPolarHBondContact O-CG 3.43Å; D414-L418 PolarHBondContact O-N 3.21Å; D414-L418 VanDerWaalsContact O-N 3.11Å
415L77.9Confident77.7Confident24 Ų2449.4 Ų49.413%0.12627%0.271CS..Hα-helixtrans-51.9-38.2176.9178.263.1000112.4N413 T417 L418 R419 L422 I438 A631N413-L415 PolarHBondContact O-N 3.47Å; L415-T417 VanDerWaalsContact C-N 3.31Å; L415-T417 PolarHBondContact O-N 3.38Å; L415-L418 PolarHBondContact O-N 3.33Å; L415-R419 WeakPolarHBondContact O-CB 3.44Å; L415-R419 PolarHBondContact O-N 3.33Å; L415-L422 HydrophobicContact CD1-CD1 4.41Å; L415-I438 HydrophobicContact CD1-CG2 4.4Å; L415-I438 HydrophobicContact CD2-CG2 3.9Å; L415-A631 HydrophobicContact CD1-CB 3.62Å
416E77.7Confident79.6Confident115 Ų11545.1 Ų45.154%0.53725%0.245SC..Hα-helixtrans-63.8-36178.8-65.5-62.6137.200112D414 R419D414-E416 PolarHBondContact O-N 2.76Å; D414-E416 PolarHBondContact OD1-N 3.11Å; E416-R419 IonicContact OE1-CZ 2.73Å; E416-R419 VanDerWaalsContact OE1-CZ 3.26Å; E416-R419 IonicContact OE1-NH1 3.24Å; E416-R419 PolarHBondContact OE1-NH1 3.47Å; E416-R419 IonicContact OE1-NH2 3.7Å; E416-R419 PolarHBondContact OE1-NH2 2.88Å; E416-R419 IonicContact OE2-CZ 3.94Å; E416-R419 IonicContact OE2-NH1 3.23Å; E416-R419 PolarHBondContact OE2-NH1 2.87Å
417T77.2Confident81Confident59 Ų5948.2 Ų48.236%0.36225%0.253SS..Hα-helixtrans-73.8-32.217566.20000112.8D414 L415D414-T417 HydrophobicContact CB-CG2 4.09Å; D414-T417 PolarHBondContact O-N 3.11Å; D414-T417 PolarHBondContact O-OG1 2.68Å; L415-T417 VanDerWaalsContact C-N 3.31Å; L415-T417 PolarHBondContact O-N 3.38Å
418L81.6Confident81.9Confident3 Ų347.3 Ų47.32%0.01625%0.248CC..Hα-helixtrans-85.9-27-176.5-63.2172.5000113D414 L415 H421 L422 F632 F635D414-L418 WeakPolarHBondContact O-CG 3.43Å; D414-L418 PolarHBondContact O-N 3.21Å; D414-L418 VanDerWaalsContact O-N 3.11Å; L415-L418 PolarHBondContact O-N 3.33Å; L418-H421 PolarHBondContact O-N 3.39Å; L418-L422 HydrophobicContact CB-CD1 4.12Å; L418-L422 PolarHBondContact O-N 2.85Å; L418-F632 HydrophobicContact CD1-CB 4Å; L418-F632 HydrophobicContact CD1-CD2 3.88Å; L418-F632 HydrophobicContact CD1-CG 4.43Å; L418-F632 HydrophobicContact CD2-CD2 4.46Å; L418-F635 HydrophobicContact CD2-CB 4.44Å; L418-F635 HydrophobicContact CD2-CD1 3.74Å; L418-F635 HydrophobicContact CD2-CD2 4.33Å; L418-F635 HydrophobicContact CD2-CE1 3.99Å; L418-F635 HydrophobicContact CD2-CG 3.92Å; L418-F635 HydrophobicContact CD2-CZ 4.39Å
419R85.8Confident82.5Confident39 Ų3948 Ų4815%0.14725%0.25CC..Hα-helixtrans-51.2-46.7-173.9-158.8-176.5-72.7112.42.6113.5L415 E416 H421 L422 I423 I435 D436L415-R419 WeakPolarHBondContact O-CB 3.44Å; L415-R419 PolarHBondContact O-N 3.33Å; E416-R419 IonicContact OE1-CZ 2.73Å; E416-R419 VanDerWaalsContact OE1-CZ 3.26Å; E416-R419 IonicContact OE1-NH1 3.24Å; E416-R419 PolarHBondContact OE1-NH1 3.47Å; E416-R419 IonicContact OE1-NH2 3.7Å; E416-R419 PolarHBondContact OE1-NH2 2.88Å; E416-R419 IonicContact OE2-CZ 3.94Å; E416-R419 IonicContact OE2-NH1 3.23Å; E416-R419 PolarHBondContact OE2-NH1 2.87Å; R419-H421 VanDerWaalsContact C-N 3.33Å; R419-H421 PolarHBondContact O-N 3.01Å; R419-L422 PolarHBondContact O-N 3.19Å; R419-I423 HydrophobicContact CG-CD1 4.02Å; R419-I423 HydrophobicContact CG-CG1 4.5Å; R419-I423 VanDerWaalsContact O-CG1 3.29Å; R419-I423 WeakPolarHBondContact O-CG1 3.16Å; R419-I423 PolarHBondContact O-N 2.8Å; R419-I435 HydrophobicContact CG-CG2 3.62Å; R419-D436 VanDerWaalsContact CD-OD1 3.32Å; R419-D436 WeakPolarHBondContact CD-OD1 3.19Å
420P84.1Confident82.7Confident62 Ų6253.1 Ų53.140%0.40328%0.276SS..Hα-helixtrans-63.4-36.5179.4-21.834.3000113.4V400 L424V400-P420 HydrophobicContact CG1-CB 3.91Å; P420-L424 PolarHBondContact O-N 3.48Å
421H83Confident83Confident54 Ų5449.8 Ų49.825%0.2526%0.258CS..Hα-helixtrans-73.3-40.7177.5-64.1-77.7000111.6L418 R419 L424 L425 F635L418-H421 PolarHBondContact O-N 3.39Å; R419-H421 VanDerWaalsContact C-N 3.33Å; R419-H421 PolarHBondContact O-N 3.01Å; H421-L424 PolarHBondContact O-N 3.44Å; H421-L425 WeakPolarHBondContact O-CB 3.23Å; H421-L425 WeakPolarHBondContact O-CD1 3.36Å; H421-L425 WeakPolarHBondContact O-CG 3.03Å; H421-L425 PolarHBondContact O-N 3.34Å; H421-F635 HydrophobicContact CB-CD2 4.07Å; H421-F635 HydrophobicContact CB-CE2 3.77Å
422L86.9Confident83.1Confident0 Ų056.5 Ų56.50%029%0.291CS..Hα-helixtrans-60.8-44.9174.2-75.1168.9000111.5L415 L418 R419 L424 L425 C426 I435 L447 A631 F635 L638L415-L422 HydrophobicContact CD1-CD1 4.41Å; L418-L422 HydrophobicContact CB-CD1 4.12Å; L418-L422 PolarHBondContact O-N 2.85Å; R419-L422 PolarHBondContact O-N 3.19Å; L422-L424 PolarHBondContact O-N 3.06Å; L422-L425 PolarHBondContact O-N 3.12Å; L422-C426 VanDerWaalsContact O-CB 3.27Å; L422-C426 WeakPolarHBondContact O-CB 3.29Å; L422-C426 PolarHBondContact O-N 2.93Å; L422-I435 HydrophobicContact CB-CD1 4.33Å; L422-I435 HydrophobicContact CB-CG2 4.22Å; L422-L447 HydrophobicContact CD1-CD2 4.24Å; L422-L447 HydrophobicContact CD2-CD2 4.42Å; L422-A631 HydrophobicContact CD1-CB 3.96Å; L422-F635 HydrophobicContact CD2-CB 3.87Å; L422-F635 HydrophobicContact CG-CB 4.36Å; L422-L638 HydrophobicContact CD2-CD1 4.48Å
423I88.1Confident83.2Confident43 Ų4355.6 Ų55.622%0.22128%0.283CS..Hα-helixtrans-56.4-52.1175.7-70.7165.9000110.7R419 L425 Q427 I435R419-I423 HydrophobicContact CG-CD1 4.02Å; R419-I423 HydrophobicContact CG-CG1 4.5Å; R419-I423 VanDerWaalsContact O-CG1 3.29Å; R419-I423 WeakPolarHBondContact O-CG1 3.16Å; R419-I423 PolarHBondContact O-N 2.8Å; I423-L425 PolarHBondContact O-N 2.84Å; I423-Q427 WeakPolarHBondContact O-CB 3.11Å; I423-Q427 VanDerWaalsContact O-CG 3.23Å; I423-Q427 WeakPolarHBondContact O-CG 3.46Å; I423-Q427 PolarHBondContact O-N 2.79Å; I423-I435 HydrophobicContact CG1-CB 3.94Å; I423-I435 HydrophobicContact CG1-CD1 4.16Å; I423-I435 HydrophobicContact CG1-CG2 3.96Å
424L84.3Confident83.7Confident38 Ų3857.3 Ų57.320%0.19929%0.292CS..Hα-helixtrans-62.4-40.4-179.3-178.163.6000112.7V400 P420 H421 L422 T428V400-L424 HydrophobicContact CB-CD2 4.46Å; V400-L424 HydrophobicContact CG2-CD2 4.25Å; P420-L424 PolarHBondContact O-N 3.48Å; H421-L424 PolarHBondContact O-N 3.44Å; L422-L424 PolarHBondContact O-N 3.06Å; L424-T428 WeakPolarHBondContact O-CB 3.27Å; L424-T428 PolarHBondContact O-N 3.08Å; L424-T428 PolarHBondContact O-OG1 2.82Å
425L90Very high83.9Confident2 Ų253.7 Ų53.71%0.0127%0.273CS..Hα-helixtrans-74-42.6-179.2-70.2168.2000112.2H421 L422 I423 Q427 T428 Y429 F635 L638 K642H421-L425 WeakPolarHBondContact O-CB 3.23Å; H421-L425 WeakPolarHBondContact O-CD1 3.36Å; H421-L425 WeakPolarHBondContact O-CG 3.03Å; H421-L425 PolarHBondContact O-N 3.34Å; L422-L425 PolarHBondContact O-N 3.12Å; I423-L425 PolarHBondContact O-N 2.84Å; L425-Q427 VanDerWaalsContact C-N 3.35Å; L425-Q427 PolarHBondContact O-N 3.12Å; L425-T428 WeakPolarHBondContact O-CB 3.47Å; L425-T428 PolarHBondContact O-N 2.84Å; L425-Y429 VanDerWaalsContact O-CD2 3.24Å; L425-Y429 WeakPolarHBondContact O-CD2 3.46Å; L425-Y429 PolarHBondContact O-N 3.41Å; L425-Y429 VanDerWaalsContact O-N 3.09Å; L425-F635 HydrophobicContact CD1-CD2 4.07Å; L425-F635 HydrophobicContact CD1-CE2 4.31Å; L425-L638 HydrophobicContact CB-CB 3.93Å; L425-L638 HydrophobicContact CB-CD1 3.81Å; L425-L638 HydrophobicContact CB-CG 4.48Å; L425-L638 HydrophobicContact CD1-CB 3.91Å; L425-L638 HydrophobicContact CG-CB 4.37Å; L425-K642 HydrophobicContact CD2-CB 3.74Å; L425-K642 HydrophobicContact CD2-CD 4.45Å; L425-K642 HydrophobicContact CD2-CG 3.86Å
426C89.8Confident84.2Confident2 Ų257.6 Ų57.61%0.01429%0.294CS..Hα-helixtrans-63.9-39.5174.6-77.50000111.8L422 Y429 N430 I431 I435L422-C426 VanDerWaalsContact O-CB 3.27Å; L422-C426 WeakPolarHBondContact O-CB 3.29Å; L422-C426 PolarHBondContact O-N 2.93Å; C426-Y429 CarbonylContact O-C 3.52Å; C426-Y429 PolarHBondContact O-N 2.9Å; C426-N430 PolarHBondContact O-N 3.33Å; C426-N430 VanDerWaalsContact O-N 3.11Å; C426-I431 HydrophobicContact CB-CB 3.94Å; C426-I431 PolarHBondContact O-N 3.34Å; C426-I435 HydrophobicContact CB-CD1 3.64Å
427Q87Confident84.4Confident121 Ų12155.2 Ų55.257%0.56529%0.29SS*.Hα-helixtrans-61.2-45.8170.5-73174.56.700111.7I423 L425 Y429 N430I423-Q427 WeakPolarHBondContact O-CB 3.11Å; I423-Q427 VanDerWaalsContact O-CG 3.23Å; I423-Q427 WeakPolarHBondContact O-CG 3.46Å; I423-Q427 PolarHBondContact O-N 2.79Å; L425-Q427 VanDerWaalsContact C-N 3.35Å; L425-Q427 PolarHBondContact O-N 3.12Å; Q427-Y429 PolarHBondContact O-N 2.85Å; Q427-N430 PolarHBondContact O-N 3.3Å; Q427-N430 VanDerWaalsContact O-N 3.11Å
428T85.9Confident84.4Confident54 Ų5452.4 Ų52.433%0.33127%0.273SS..Hα-helixtrans-54.3-38.8177.3-61.90000112.4L424 L425 K642L424-T428 WeakPolarHBondContact O-CB 3.27Å; L424-T428 PolarHBondContact O-N 3.08Å; L424-T428 PolarHBondContact O-OG1 2.82Å; L425-T428 WeakPolarHBondContact O-CB 3.47Å; L425-T428 PolarHBondContact O-N 2.84Å; T428-K642 HydrophobicContact CG2-CD 4.37Å
429Y88.5Confident84.3Confident26 Ų2662.8 Ų62.810%0.10231%0.312CS..THydrogen-bonded Turntrans-101.918.3-178.3-62.5-64.5000114.3L425 C426 Q427 I431 K454 I458 L638 L641 K642 D645L425-Y429 VanDerWaalsContact O-CD2 3.24Å; L425-Y429 WeakPolarHBondContact O-CD2 3.46Å; L425-Y429 PolarHBondContact O-N 3.41Å; L425-Y429 VanDerWaalsContact O-N 3.09Å; C426-Y429 CarbonylContact O-C 3.52Å; C426-Y429 PolarHBondContact O-N 2.9Å; Q427-Y429 PolarHBondContact O-N 2.85Å; Y429-I431 PolarHBondContact O-N 2.98Å; Y429-K454 PolarHBondContact O-NZ 2.83Å; Y429-I458 HydrophobicContact CD1-CD1 3.94Å; Y429-I458 HydrophobicContact CD1-CG2 4.16Å; Y429-I458 HydrophobicContact CE1-CG2 4.07Å; Y429-I458 HydrophobicContact CG-CD1 4.1Å; Y429-L638 HydrophobicContact CD2-CD2 4.01Å; Y429-L641 HydrophobicContact CE2-CB 4.21Å; Y429-L641 VanDerWaalsContact OH-C 3.29Å; Y429-L641 PolarHBondContact OH-O 3.01Å; Y429-K642 WeakPolarHBondContact OH-CA 3.41Å; Y429-K642 PolarHBondContact OH-N 3.47Å; Y429-K642 VanDerWaalsContact OH-N 3.17Å; Y429-D645 VanDerWaalsContact CE1-OD2 3.31Å; Y429-D645 WeakPolarHBondContact CE1-OD2 3.32Å; Y429-D645 PolarHBondContact OH-OD2 2.66Å
430N85.7Confident83.8Confident131 Ų13163.3 Ų63.370%0.70132%0.321SS*.THydrogen-bonded Turntrans47.843.4-179.5-70.4-64.1000113.1C426 Q427 K454C426-N430 PolarHBondContact O-N 3.33Å; C426-N430 VanDerWaalsContact O-N 3.11Å; Q427-N430 PolarHBondContact O-N 3.3Å; Q427-N430 VanDerWaalsContact O-N 3.11Å; N430-K454 PolarHBondContact O-NZ 3.32Å
431I86.5Confident83.3Confident10 Ų1065 Ų655%0.05133%0.326CS..  trans-88.8105.9177.7-48-169.4000107.8C426 Y429 M433 V450 I451 K454 L638C426-I431 HydrophobicContact CB-CB 3.94Å; C426-I431 PolarHBondContact O-N 3.34Å; Y429-I431 PolarHBondContact O-N 2.98Å; I431-M433 PolarHBondContact O-N 3.3Å; I431-V450 HydrophobicContact CG2-CG1 3.76Å; I431-I451 HydrophobicContact CD1-CG1 3.82Å; I431-K454 HydrophobicContact CD1-CD 4.19Å; I431-K454 HydrophobicContact CG1-CD 3.87Å; I431-L638 HydrophobicContact CD1-CD2 3.83Å
432Q80.2Confident82.9Confident191 Ų19165.3 Ų65.389%0.89334%0.337SS*.  trans-80.783-177.6-67178.9-8.800110.2
433M79Confident82.6Confident47 Ų4767.5 Ų67.523%0.23235%0.349CS..  trans-136.2143.1166.9-76-170.471.800110.2I431 I435 E446 L447 V450I431-M433 PolarHBondContact O-N 3.3Å; M433-I435 PolarHBondContact O-N 3.17Å; M433-E446 HydrophobicContact CE-CB 4.42Å; M433-E446 HydrophobicContact CE-CG 4.04Å; M433-L447 HydrophobicContact CE-CB 4.1Å; M433-L447 HydrophobicContact CE-CD1 4.36Å; M433-L447 HydrophobicContact SD-CB 4.29Å; M433-L447 HydrophobicContact SD-CD1 3.78Å; M433-V450 HydrophobicContact CG-CG1 4.4Å; M433-V450 HydrophobicContact SD-CB 3.77Å; M433-V450 HydrophobicContact SD-CG1 3.97Å; M433-V450 HydrophobicContact SD-CG2 3.8Å
434D80.8Confident82.3Confident99 Ų9966.6 Ų66.653%0.52934%0.344SS..  trans-84.198.5172.5-177.6-3.5000109.5D436 S437D434-D436 VanDerWaalsContact C-N 3.26Å; D434-D436 PolarHBondContact O-N 3.08Å; D434-D436 PolarHBondContact OD1-N 2.63Å; D434-S437 WeakPolarHBondContact O-CB 3.46Å; D434-S437 PolarHBondContact O-N 2.7Å; D434-S437 PolarHBondContact O-OG 2.65Å; D434-S437 PolarHBondContact OD1-N 2.81Å
435I82.6Confident82.2Confident8 Ų865.7 Ų65.74%0.04134%0.339CS..THydrogen-bonded Turntrans-77.6-15.2-176.2-63.1158.5000111.6R419 L422 I423 C426 M433 S437 I438 L447R419-I435 HydrophobicContact CG-CG2 3.62Å; L422-I435 HydrophobicContact CB-CD1 4.33Å; L422-I435 HydrophobicContact CB-CG2 4.22Å; I423-I435 HydrophobicContact CG1-CB 3.94Å; I423-I435 HydrophobicContact CG1-CD1 4.16Å; I423-I435 HydrophobicContact CG1-CG2 3.96Å; C426-I435 HydrophobicContact CB-CD1 3.64Å; M433-I435 PolarHBondContact O-N 3.17Å; I435-S437 VanDerWaalsContact C-N 3.29Å; I435-I438 HydrophobicContact CB-CD1 4.33Å; I435-I438 HydrophobicContact CG1-CD1 4.25Å; I435-I438 HydrophobicContact CG2-CD1 4.26Å; I435-L447 HydrophobicContact CG1-CD1 4.45Å
436D82.6Confident81.8Confident105 Ų10571.4 Ų71.456%0.56137%0.366SS*.THydrogen-bonded Turntrans-80.4-13.9171.9-64-43.7000112R419 D434R419-D436 VanDerWaalsContact CD-OD1 3.32Å; R419-D436 WeakPolarHBondContact CD-OD1 3.19Å; D434-D436 VanDerWaalsContact C-N 3.26Å; D434-D436 PolarHBondContact O-N 3.08Å; D434-D436 PolarHBondContact OD1-N 2.63Å
437S81.8Confident81.6Confident65 Ų6571.3 Ų71.346%0.45537%0.365SS..SBendtrans-78.4-22.7170.778.80000114D434 I435 R439D434-S437 WeakPolarHBondContact O-CB 3.46Å; D434-S437 PolarHBondContact O-N 2.7Å; D434-S437 PolarHBondContact O-OG 2.65Å; D434-S437 PolarHBondContact OD1-N 2.81Å; I435-S437 VanDerWaalsContact C-N 3.29Å; S437-R439 PolarHBondContact O-N 2.7Å
438I79.1Confident81.6Confident1 Ų166.5 Ų66.51%0.00534%0.342CS..  trans-68.1115.5-174.2-62.2179000110.7L415 I435 D443 E444 L447L415-I438 HydrophobicContact CD1-CG2 4.4Å; L415-I438 HydrophobicContact CD2-CG2 3.9Å; I435-I438 HydrophobicContact CB-CD1 4.33Å; I435-I438 HydrophobicContact CG1-CD1 4.25Å; I435-I438 HydrophobicContact CG2-CD1 4.26Å; I438-D443 HydrophobicContact CB-CB 4.25Å; I438-D443 HydrophobicContact CG1-CB 4.2Å; I438-D443 HydrophobicContact CG2-CB 3.95Å; I438-E444 HydrophobicContact CG2-CG 3.96Å; I438-L447 HydrophobicContact CD1-CB 3.99Å; I438-L447 HydrophobicContact CD1-CD1 4.38Å; I438-L447 HydrophobicContact CD1-CD2 3.66Å; I438-L447 HydrophobicContact CD1-CG 4.2Å
439R77.6Confident81.6Confident221 Ų22164.8 Ų64.883%0.83433%0.334SS*.  trans-137-18.3-178.8-66.7178.3-176.9-129.7-4.1114S437 D443S437-R439 PolarHBondContact O-N 2.7Å; R439-D443 PolarHBondContact N-OD2 2.79Å
440S77.3Confident81.5Confident50 Ų5065.4 Ų65.435%0.3534%0.34SS..SBendtrans-115.3157.6-179.3102.50000112.1A442 D443 E444S440-A442 PolarHBondContact O-N 2.72Å; S440-A442 PolarHBondContact OG-N 2.69Å; S440-A442 VanDerWaalsContact OG-N 3.12Å; S440-D443 WeakPolarHBondContact CB-OD1 3.26Å; S440-D443 PolarHBondContact N-OD2 3.02Å; S440-D443 WeakPolarHBondContact O-CB 3.23Å; S440-D443 PolarHBondContact O-N 2.74Å; S440-D443 VanDerWaalsContact O-N 3.12Å; S440-D443 PolarHBondContact OG-N 2.71Å; S440-D443 PolarHBondContact OG-OD1 2.65Å; S440-E444 PolarHBondContact O-N 3.38Å; S440-E444 VanDerWaalsContact O-N 3.12Å
441I71.7Confident81.7Confident98 Ų9859.2 Ų59.250%0.50331%0.307SS..Hα-helixtrans-62.6-29.3175-65.1172000111.2E444 M445 S627I441-E444 WeakPolarHBondContact O-CB 3.41Å; I441-E444 PolarHBondContact O-N 2.99Å; I441-M445 HydrophobicContact CG2-CE 3.9Å; I441-M445 WeakPolarHBondContact O-CE 3.25Å; I441-M445 WeakPolarHBondContact O-CG 3.36Å; I441-M445 PolarHBondContact O-N 2.72Å; I441-S627 WeakPolarHBondContact CG2-O 3.2Å
442A74.6Confident81.7Confident59 Ų5961.2 Ų61.249%0.48832%0.318SS..Hα-helixtrans-69.1-38.9174.200000111.6S440 E444 M445 E446S440-A442 PolarHBondContact O-N 2.72Å; S440-A442 PolarHBondContact OG-N 2.69Å; S440-A442 VanDerWaalsContact OG-N 3.12Å; A442-E444 VanDerWaalsContact C-N 3.27Å; A442-E444 PolarHBondContact O-N 2.77Å; A442-M445 PolarHBondContact O-N 3.28Å; A442-M445 VanDerWaalsContact O-N 3.1Å; A442-E446 PolarHBondContact O-N 2.74Å
443D81.1Confident82Confident46 Ų4661.8 Ų61.825%0.24631%0.312CS..Hα-helixtrans-62.9-37.7174.9-38.2-9.4000110.2I438 R439 S440 E446 L447I438-D443 HydrophobicContact CB-CB 4.25Å; I438-D443 HydrophobicContact CG1-CB 4.2Å; I438-D443 HydrophobicContact CG2-CB 3.95Å; R439-D443 PolarHBondContact N-OD2 2.79Å; S440-D443 WeakPolarHBondContact CB-OD1 3.26Å; S440-D443 PolarHBondContact N-OD2 3.02Å; S440-D443 WeakPolarHBondContact O-CB 3.23Å; S440-D443 PolarHBondContact O-N 2.74Å; S440-D443 VanDerWaalsContact O-N 3.12Å; S440-D443 PolarHBondContact OG-N 2.71Å; S440-D443 PolarHBondContact OG-OD1 2.65Å; D443-E446 PolarHBondContact O-N 2.82Å; D443-L447 PolarHBondContact O-N 3.08Å
444E82.3Confident82.4Confident24 Ų2463.1 Ų63.111%0.11232%0.316CS..Hα-helixtrans-65.5-37.8171.9-69.5-160.8-165.900113.1I438 S440 I441 A442 L447 F448 G630 A631I438-E444 HydrophobicContact CG2-CG 3.96Å; S440-E444 PolarHBondContact O-N 3.38Å; S440-E444 VanDerWaalsContact O-N 3.12Å; I441-E444 WeakPolarHBondContact O-CB 3.41Å; I441-E444 PolarHBondContact O-N 2.99Å; A442-E444 VanDerWaalsContact C-N 3.27Å; A442-E444 PolarHBondContact O-N 2.77Å; E444-L447 PolarHBondContact O-N 3.24Å; E444-F448 PolarHBondContact O-N 2.95Å; E444-G630 WeakPolarHBondContact O-CA 3.4Å; E444-G630 PolarHBondContact OE2-N 3.48Å; E444-A631 HydrophobicContact CB-CB 4.46Å; E444-A631 HydrophobicContact CG-CB 3.83Å; E444-A631 VanDerWaalsContact OE2-CB 3.31Å; E444-A631 WeakPolarHBondContact OE2-CB 3.38Å; E444-A631 PolarHBondContact OE2-N 3.11Å
445M81.4Confident83Confident20 Ų2058.4 Ų58.410%0.09929%0.291CS..Hα-helixtrans-68.5-36.8174.2-66.9-39.5107.100111.7I441 A442 F448 A449 S627 G630I441-M445 HydrophobicContact CG2-CE 3.9Å; I441-M445 WeakPolarHBondContact O-CE 3.25Å; I441-M445 WeakPolarHBondContact O-CG 3.36Å; I441-M445 PolarHBondContact O-N 2.72Å; A442-M445 PolarHBondContact O-N 3.28Å; A442-M445 VanDerWaalsContact O-N 3.1Å; M445-F448 PolarHBondContact O-N 2.76Å; M445-A449 VanDerWaalsContact O-CB 3.31Å; M445-A449 WeakPolarHBondContact O-CB 3.4Å; M445-A449 PolarHBondContact O-N 3.17Å; M445-S627 WeakPolarHBondContact CE-O 3.42Å; M445-G630 VanDerWaalsContact CE-CA 3.49Å
446E82.6Confident83.3Confident122 Ų12262.3 Ų62.357%0.5731%0.309SS*.Hα-helixtrans-63-46.2173.6-174.6171.9-161.600110.7M433 A442 D443 F448 A449 V450M433-E446 HydrophobicContact CE-CB 4.42Å; M433-E446 HydrophobicContact CE-CG 4.04Å; A442-E446 PolarHBondContact O-N 2.74Å; D443-E446 PolarHBondContact O-N 2.82Å; E446-F448 VanDerWaalsContact C-N 3.32Å; E446-F448 PolarHBondContact O-N 2.78Å; E446-A449 PolarHBondContact O-N 2.79Å; E446-V450 HydrophobicContact CG-CG2 4.45Å; E446-V450 WeakPolarHBondContact O-CG2 3.22Å; E446-V450 PolarHBondContact O-N 2.76Å
447L85.8Confident83.7Confident0 Ų065.2 Ų65.20%031%0.313CS..Hα-helixtrans-55.1-47.7173.517965.5000111.3L422 M433 I435 I438 D443 E444 V450 I451L422-L447 HydrophobicContact CD1-CD2 4.24Å; L422-L447 HydrophobicContact CD2-CD2 4.42Å; M433-L447 HydrophobicContact CE-CB 4.1Å; M433-L447 HydrophobicContact CE-CD1 4.36Å; M433-L447 HydrophobicContact SD-CB 4.29Å; M433-L447 HydrophobicContact SD-CD1 3.78Å; I435-L447 HydrophobicContact CG1-CD1 4.45Å; I438-L447 HydrophobicContact CD1-CB 3.99Å; I438-L447 HydrophobicContact CD1-CD1 4.38Å; I438-L447 HydrophobicContact CD1-CD2 3.66Å; I438-L447 HydrophobicContact CD1-CG 4.2Å; D443-L447 PolarHBondContact O-N 3.08Å; E444-L447 PolarHBondContact O-N 3.24Å; L447-V450 PolarHBondContact O-N 2.86Å; L447-I451 HydrophobicContact CD1-CD1 3.66Å; L447-I451 HydrophobicContact CD1-CG1 4.38Å; L447-I451 HydrophobicContact CG-CD1 3.79Å; L447-I451 WeakPolarHBondContact O-CB 3.23Å; L447-I451 WeakPolarHBondContact O-CG1 3.48Å; L447-I451 PolarHBondContact O-N 3.26Å
448F86.7Confident84.1Confident19 Ų1963.3 Ų63.38%0.08330%0.298CS..Hα-helixtrans-64.3-42.4177.3179.7-114.6000112.7E444 M445 E446 V450 I451 N452 L633 S634 H637E444-F448 PolarHBondContact O-N 2.95Å; M445-F448 PolarHBondContact O-N 2.76Å; E446-F448 VanDerWaalsContact C-N 3.32Å; E446-F448 PolarHBondContact O-N 2.78Å; F448-V450 PolarHBondContact O-N 3.47Å; F448-I451 PolarHBondContact O-N 2.88Å; F448-N452 HydrophobicContact CE1-CB 4.45Å; F448-N452 HydrophobicContact CE2-CB 4.21Å; F448-N452 HydrophobicContact CZ-CB 4.1Å; F448-N452 WeakPolarHBondContact O-CB 3.39Å; F448-N452 PolarHBondContact O-N 3.32Å; F448-L633 HydrophobicContact CD1-CD2 4.27Å; F448-L633 HydrophobicContact CD2-CB 4.26Å; F448-L633 HydrophobicContact CD2-CD2 4.05Å; F448-L633 HydrophobicContact CD2-CG 4.03Å; F448-L633 HydrophobicContact CE1-CD2 3.81Å; F448-L633 HydrophobicContact CE2-CB 4.38Å; F448-L633 HydrophobicContact CE2-CD2 3.59Å; F448-L633 HydrophobicContact CE2-CG 3.64Å; F448-L633 HydrophobicContact CG-CD2 4.39Å; F448-L633 HydrophobicContact CZ-CD2 3.46Å; F448-L633 VanDerWaalsContact CZ-CD2 3.46Å; F448-L633 HydrophobicContact CZ-CG 4.04Å; F448-S634 WeakPolarHBondContact CA-OG 3.46Å; F448-S634 WeakPolarHBondContact CB-OG 2.98Å; F448-S634 PolarHBondContact N-OG 2.88Å; F448-H637 AromaticContact CE2-CE1 3.75Å; F448-H637 AromaticContact CE2-ND1 3.91Å
449A85.2Confident84.7Confident19 Ų1963.3 Ų63.316%0.15730%0.298CS..Hα-helixtrans-63.8-39.9178.600000112.2M445 E446 R453M445-A449 VanDerWaalsContact O-CB 3.31Å; M445-A449 WeakPolarHBondContact O-CB 3.4Å; M445-A449 PolarHBondContact O-N 3.17Å; E446-A449 PolarHBondContact O-N 2.79Å; A449-R453 WeakPolarHBondContact O-CB 3.48Å; A449-R453 WeakPolarHBondContact O-CD 3.35Å; A449-R453 WeakPolarHBondContact O-CG 3.41Å; A449-R453 PolarHBondContact O-N 3.45Å
450V87.8Confident85.3Confident38 Ų3856.2 Ų56.223%0.2328%0.277CS..Hα-helixtrans-67.2-43.5175.2171.10000111.3I431 M433 E446 L447 F448 K454I431-V450 HydrophobicContact CG2-CG1 3.76Å; M433-V450 HydrophobicContact CG-CG1 4.4Å; M433-V450 HydrophobicContact SD-CB 3.77Å; M433-V450 HydrophobicContact SD-CG1 3.97Å; M433-V450 HydrophobicContact SD-CG2 3.8Å; E446-V450 HydrophobicContact CG-CG2 4.45Å; E446-V450 WeakPolarHBondContact O-CG2 3.22Å; E446-V450 PolarHBondContact O-N 2.76Å; L447-V450 PolarHBondContact O-N 2.86Å; F448-V450 PolarHBondContact O-N 3.47Å; V450-K454 PolarHBondContact O-N 3.4Å
451I89.2Confident85.9Confident2 Ų257.1 Ų57.11%0.0127%0.272CS..Hα-helixtrans-66.5-46.1177.5-74.9165.7000111.3I431 L447 F448 R453 K454 F455 S634 H637 L638I431-I451 HydrophobicContact CD1-CG1 3.82Å; L447-I451 HydrophobicContact CD1-CD1 3.66Å; L447-I451 HydrophobicContact CD1-CG1 4.38Å; L447-I451 HydrophobicContact CG-CD1 3.79Å; L447-I451 WeakPolarHBondContact O-CB 3.23Å; L447-I451 WeakPolarHBondContact O-CG1 3.48Å; L447-I451 PolarHBondContact O-N 3.26Å; F448-I451 PolarHBondContact O-N 2.88Å; I451-R453 PolarHBondContact O-N 3.37Å; I451-K454 CarbonylContact O-C 3.41Å; I451-K454 PolarHBondContact O-N 3.19Å; I451-F455 WeakPolarHBondContact O-CB 3.32Å; I451-F455 PolarHBondContact O-N 2.79Å; I451-S634 VanDerWaalsContact CD1-CB 3.49Å; I451-H637 HydrophobicContact CG2-CB 4.18Å; I451-L638 HydrophobicContact CD1-CD1 3.63Å; I451-L638 HydrophobicContact CD1-CD2 4.5Å; I451-L638 HydrophobicContact CD1-CG 4.07Å; I451-L638 HydrophobicContact CG1-CD1 4.23Å; I451-L638 HydrophobicContact CG1-CD2 4.31Å; I451-L638 HydrophobicContact CG1-CG 4.4Å; I451-L638 HydrophobicContact CG2-CD2 3.83Å; I451-L638 HydrophobicContact CG2-CG 4Å
452N87Confident86.8Confident52 Ų5252.7 Ų52.728%0.27825%0.25SC..Hα-helixtrans-59.7-44.9-179.2-172.913.1000111.4F448 K454 F455 Q543F448-N452 HydrophobicContact CE1-CB 4.45Å; F448-N452 HydrophobicContact CE2-CB 4.21Å; F448-N452 HydrophobicContact CZ-CB 4.1Å; F448-N452 WeakPolarHBondContact O-CB 3.39Å; F448-N452 PolarHBondContact O-N 3.32Å; N452-K454 PolarHBondContact O-N 2.77Å; N452-F455 PolarHBondContact O-N 3.32Å; N452-F455 VanDerWaalsContact O-N 3.13Å; N452-Q543 PolarHBondContact OD1-NE2 2.75Å; N452-Q543 PolarHBondContact OD1-OE1 3.44Å
453R85.7Confident87.5Confident203 Ų20351 Ų5177%0.76623%0.232SC*.Hα-helixtrans-57.2-32.8173.4-75169179.51621.7113.4A449 I451A449-R453 WeakPolarHBondContact O-CB 3.48Å; A449-R453 WeakPolarHBondContact O-CD 3.35Å; A449-R453 WeakPolarHBondContact O-CG 3.41Å; A449-R453 PolarHBondContact O-N 3.45Å; I451-R453 PolarHBondContact O-N 3.37Å
454K88.5Confident87.7Confident74 Ų7453 Ų5332%0.32224%0.239SC..Hα-helixtrans-86-29.2175.1-78.2-169.9167.8-157.50113.8Y429 N430 I431 V450 I451 N452 Q456 Y457 I458Y429-K454 PolarHBondContact O-NZ 2.83Å; N430-K454 PolarHBondContact O-NZ 3.32Å; I431-K454 HydrophobicContact CD1-CD 4.19Å; I431-K454 HydrophobicContact CG1-CD 3.87Å; V450-K454 PolarHBondContact O-N 3.4Å; I451-K454 CarbonylContact O-C 3.41Å; I451-K454 PolarHBondContact O-N 3.19Å; N452-K454 PolarHBondContact O-N 2.77Å; K454-Q456 PolarHBondContact O-N 2.8Å; K454-Y457 PolarHBondContact O-N 3.46Å; K454-I458 HydrophobicContact CB-CD1 4.2Å; K454-I458 WeakPolarHBondContact O-CG1 3.16Å; K454-I458 PolarHBondContact O-N 2.67Å
455F91.7Very high87.9Confident1 Ų152 Ų520%0.00424%0.235CC..Hα-helixtrans-56.7-50.2-172.3178.5-86000111.6I451 N452 Y457 I458 F459 V542 Q543 H637 L641I451-F455 WeakPolarHBondContact O-CB 3.32Å; I451-F455 PolarHBondContact O-N 2.79Å; N452-F455 PolarHBondContact O-N 3.32Å; N452-F455 VanDerWaalsContact O-N 3.13Å; F455-Y457 VanDerWaalsContact C-N 3.31Å; F455-Y457 PolarHBondContact O-N 2.77Å; F455-I458 PolarHBondContact O-N 3.49Å; F455-F459 HydrophobicContact CD1-CB 4.36Å; F455-F459 HydrophobicContact CE1-CB 4.16Å; F455-F459 AromaticContact CE1-CD2 3.97Å; F455-F459 HydrophobicContact CE1-CD2 3.97Å; F455-F459 HydrophobicContact CE1-CG 4.23Å; F455-F459 AromaticContact CZ-CD2 3.88Å; F455-F459 HydrophobicContact CZ-CD2 3.88Å; F455-F459 WeakPolarHBondContact O-CB 3.39Å; F455-F459 PolarHBondContact O-N 3.28Å; F455-V542 HydrophobicContact CZ-CG1 3.92Å; F455-Q543 HydrophobicContact CD1-CG 3.95Å; F455-Q543 HydrophobicContact CE1-CG 3.7Å; F455-Q543 HydrophobicContact CZ-CG 4.36Å; F455-H637 HydrophobicContact CD2-CB 3.8Å; F455-H637 AromaticContact CD2-CD2 3.73Å; F455-H637 HydrophobicContact CE2-CB 4.04Å; F455-H637 AromaticContact CE2-CD2 3.89Å; F455-H637 WeakPolarHBondContact CE2-O 3.43Å; F455-H637 AromaticContact CG-CD2 3.98Å; F455-L641 HydrophobicContact CD2-CD1 3.69Å; F455-L641 HydrophobicContact CD2-CD2 3.99Å; F455-L641 HydrophobicContact CD2-CG 3.74Å; F455-L641 HydrophobicContact CE2-CD1 4.21Å; F455-L641 HydrophobicContact CE2-CD2 3.83Å; F455-L641 HydrophobicContact CE2-CG 3.72Å; F455-L641 HydrophobicContact CG-CD1 4.45Å; F455-L641 HydrophobicContact CZ-CD2 4.35Å
456Q90.1Very high88.1Confident90 Ų9053.1 Ų53.142%0.42124%0.238SC..Hα-helixtrans-60.9-39.6-177.8-164.5-17936.900112.1K454 N460K454-Q456 PolarHBondContact O-N 2.8Å; Q456-N460 VanDerWaalsContact O-CB 3.32Å; Q456-N460 WeakPolarHBondContact O-CB 3.14Å; Q456-N460 PolarHBondContact O-N 2.82Å; Q456-N460 PolarHBondContact O-OD1 3.42Å
457Y90Very high88.2Confident165 Ų16550.1 Ų50.165%0.64723%0.226SC*.Hα-helixtrans-65.1-47.6176.4173.7-103.6000112.3K454 F455 R461K454-Y457 PolarHBondContact O-N 3.46Å; F455-Y457 VanDerWaalsContact C-N 3.31Å; F455-Y457 PolarHBondContact O-N 2.77Å; Y457-R461 WeakPolarHBondContact O-CB 3.17Å; Y457-R461 PolarHBondContact O-N 3.4Å; Y457-R461 VanDerWaalsContact O-N 3.16Å
458I90.7Very high88.3Confident26 Ų2651.7 Ų51.713%0.13323%0.233CC..Hα-helixtrans-67.3-41.5179.7-59.6167.4000110.5Y429 K454 F455 R461 Q462 L641Y429-I458 HydrophobicContact CD1-CD1 3.94Å; Y429-I458 HydrophobicContact CD1-CG2 4.16Å; Y429-I458 HydrophobicContact CE1-CG2 4.07Å; Y429-I458 HydrophobicContact CG-CD1 4.1Å; K454-I458 HydrophobicContact CB-CD1 4.2Å; K454-I458 WeakPolarHBondContact O-CG1 3.16Å; K454-I458 PolarHBondContact O-N 2.67Å; F455-I458 PolarHBondContact O-N 3.49Å; I458-R461 PolarHBondContact O-N 2.83Å; I458-Q462 WeakPolarHBondContact O-CG 3.48Å; I458-Q462 PolarHBondContact O-N 2.87Å; I458-L641 HydrophobicContact CB-CD1 4.09Å; I458-L641 HydrophobicContact CB-CD2 4.39Å; I458-L641 HydrophobicContact CD1-CD1 4.25Å; I458-L641 HydrophobicContact CG2-CD1 4Å; I458-L641 HydrophobicContact CG2-CD2 4.12Å
459F92.4Very high88.2Confident0 Ų053.2 Ų53.20%024%0.238CC..Hα-helixtrans-62.6-47.4178.7-174.6-82.2000112.2F455 R461 Q462 E463 F536 V542 H640 L641F455-F459 HydrophobicContact CD1-CB 4.36Å; F455-F459 HydrophobicContact CE1-CB 4.16Å; F455-F459 AromaticContact CE1-CD2 3.97Å; F455-F459 HydrophobicContact CE1-CD2 3.97Å; F455-F459 HydrophobicContact CE1-CG 4.23Å; F455-F459 AromaticContact CZ-CD2 3.88Å; F455-F459 HydrophobicContact CZ-CD2 3.88Å; F455-F459 WeakPolarHBondContact O-CB 3.39Å; F455-F459 PolarHBondContact O-N 3.28Å; F459-R461 VanDerWaalsContact C-N 3.31Å; F459-R461 PolarHBondContact O-N 2.75Å; F459-Q462 WeakPolarHBondContact O-CA 3.24Å; F459-Q462 WeakPolarHBondContact O-CB 3.21Å; F459-Q462 PolarHBondContact O-N 2.75Å; F459-Q462 VanDerWaalsContact O-N 3.09Å; F459-E463 HydrophobicContact CD1-CG 4.29Å; F459-E463 HydrophobicContact CE1-CG 3.87Å; F459-E463 PolarHBondContact O-N 3.42Å; F459-F536 WeakPolarHBondContact CZ-O 3.22Å; F459-V542 HydrophobicContact CE2-CB 4.27Å; F459-V542 HydrophobicContact CE2-CG1 4.27Å; F459-V542 HydrophobicContact CE2-CG2 3.97Å; F459-V542 HydrophobicContact CZ-CG2 4Å; F459-H640 AromaticContact CE2-NE2 3.72Å; F459-L641 HydrophobicContact CB-CD2 4Å; F459-L641 HydrophobicContact CD2-CD2 4.25Å
460N90.4Very high88.3Confident73 Ų7352.6 Ų52.639%0.3923%0.232SC..Hα-helixtrans-63.3-39.1178.9-67.71.5000111Q456 Q462 E463 E464 S539Q456-N460 VanDerWaalsContact O-CB 3.32Å; Q456-N460 WeakPolarHBondContact O-CB 3.14Å; Q456-N460 PolarHBondContact O-N 2.82Å; Q456-N460 PolarHBondContact O-OD1 3.42Å; N460-Q462 VanDerWaalsContact C-N 3.32Å; N460-Q462 PolarHBondContact O-N 3.43Å; N460-E463 WeakPolarHBondContact O-CB 3.23Å; N460-E463 PolarHBondContact O-N 3.44Å; N460-E463 VanDerWaalsContact O-N 3.17Å; N460-E464 PolarHBondContact O-N 3.32Å; N460-S539 PolarHBondContact OD1-OG 2.89Å
461R88.8Confident88.1Confident69 Ų6951.5 Ų51.526%0.2622%0.224SC..Hα-helixtrans-65-33.2173-171179.1-178.8-134.4-1.6112.9Y457 I458 F459 M465 W486 L487 E740Y457-R461 WeakPolarHBondContact O-CB 3.17Å; Y457-R461 PolarHBondContact O-N 3.4Å; Y457-R461 VanDerWaalsContact O-N 3.16Å; I458-R461 PolarHBondContact O-N 2.83Å; F459-R461 VanDerWaalsContact C-N 3.31Å; F459-R461 PolarHBondContact O-N 2.75Å; R461-M465 PolarHBondContact O-N 2.75Å; R461-W486 VanDerWaalsContact NH2-CH2 3.29Å; R461-L487 HydrophobicContact CG-CD2 4.06Å; R461-E740 IonicContact CZ-OE1 3.05Å; R461-E740 IonicContact NH1-OE1 2.9Å; R461-E740 PolarHBondContact NH1-OE1 3.47Å; R461-E740 IonicContact NH1-OE2 3.89Å; R461-E740 IonicContact NH2-OE1 3.23Å; R461-E740 PolarHBondContact NH2-OE1 3.35Å; R461-E740 IonicContact NH2-OE2 3.54Å
462Q90.5Very high87.6Confident5 Ų553.6 Ų53.62%0.02324%0.236CC..Hα-helixtrans-68.1-39.9170.5-74.1-179.8-12.200111.7I458 F459 N460 E464 M465 Y466 L641 R644 D645I458-Q462 WeakPolarHBondContact O-CG 3.48Å; I458-Q462 PolarHBondContact O-N 2.87Å; F459-Q462 WeakPolarHBondContact O-CA 3.24Å; F459-Q462 WeakPolarHBondContact O-CB 3.21Å; F459-Q462 PolarHBondContact O-N 2.75Å; F459-Q462 VanDerWaalsContact O-N 3.09Å; N460-Q462 VanDerWaalsContact C-N 3.32Å; N460-Q462 PolarHBondContact O-N 3.43Å; Q462-E464 VanDerWaalsContact C-N 3.33Å; Q462-E464 PolarHBondContact O-N 2.8Å; Q462-M465 WeakPolarHBondContact O-CB 3.3Å; Q462-M465 PolarHBondContact O-N 2.92Å; Q462-M465 VanDerWaalsContact O-N 3.09Å; Q462-Y466 VanDerWaalsContact O-CD2 3.25Å; Q462-Y466 WeakPolarHBondContact O-CD2 3.27Å; Q462-Y466 PolarHBondContact O-N 2.72Å; Q462-L641 PolarHBondContact NE2-O 3.35Å; Q462-R644 VanDerWaalsContact OE1-CB 3.28Å; Q462-R644 VanDerWaalsContact OE1-NE 3.11Å; Q462-D645 PolarHBondContact NE2-OD1 3.16Å; Q462-D645 PolarHBondContact NE2-OD2 3.01Å
463E88.6Confident87.1Confident24 Ų2451.4 Ų51.411%0.11222%0.224CC..Hα-helixtrans-59.7-41.5174.3-82.9-58.7128.700112.4F459 N460 M465 Y466 D467 R537 R644F459-E463 HydrophobicContact CD1-CG 4.29Å; F459-E463 HydrophobicContact CE1-CG 3.87Å; F459-E463 PolarHBondContact O-N 3.42Å; N460-E463 WeakPolarHBondContact O-CB 3.23Å; N460-E463 PolarHBondContact O-N 3.44Å; N460-E463 VanDerWaalsContact O-N 3.17Å; E463-M465 VanDerWaalsContact C-N 3.26Å; E463-M465 PolarHBondContact O-N 2.87Å; E463-Y466 PolarHBondContact O-N 2.84Å; E463-D467 PolarHBondContact O-N 3.49Å; E463-R537 HydrophobicContact CG-CB 4.39Å; E463-R537 WeakPolarHBondContact OE2-CB 3.21Å; E463-R537 WeakPolarHBondContact OE2-CG 3.34Å; E463-R537 IonicContact OE2-CZ 2.94Å; E463-R537 IonicContact OE2-NE 3.83Å; E463-R537 PolarHBondContact OE2-NE 2.79Å; E463-R537 IonicContact OE2-NH2 2.94Å; E463-R644 IonicContact OE1-CZ 3.77Å; E463-R644 VanDerWaalsContact OE1-CZ 3.29Å; E463-R644 IonicContact OE1-NH1 2.66Å; E463-R644 PolarHBondContact OE1-NH1 3.28Å; E463-R644 IonicContact OE1-NH2 3.61Å; E463-R644 PolarHBondContact OE1-NH2 2.84Å
464E87.2Confident86.5Confident86 Ų8645.3 Ų45.340%0.40221%0.209SC..Hα-helixtrans-56-40.7172.4-69.2169.2173.500111.6N460 Q462 Y466 D467N460-E464 PolarHBondContact O-N 3.32Å; Q462-E464 VanDerWaalsContact C-N 3.33Å; Q462-E464 PolarHBondContact O-N 2.8Å; E464-Y466 PolarHBondContact O-N 3.42Å; E464-D467 PolarHBondContact O-N 3.05Å
465M85.4Confident85.8Confident4 Ų446.7 Ų46.72%0.0222%0.215CC..THydrogen-bonded Turntrans-64.8-16176.1-69.4-176.177.600114.8R461 Q462 E463 F468 W486 L487 R648R461-M465 PolarHBondContact O-N 2.75Å; Q462-M465 WeakPolarHBondContact O-CB 3.3Å; Q462-M465 PolarHBondContact O-N 2.92Å; Q462-M465 VanDerWaalsContact O-N 3.09Å; E463-M465 VanDerWaalsContact C-N 3.26Å; E463-M465 PolarHBondContact O-N 2.87Å; M465-F468 WeakPolarHBondContact O-CE1 3.27Å; M465-F468 VanDerWaalsContact O-CZ 3.26Å; M465-F468 WeakPolarHBondContact O-CZ 3.39Å; M465-W486 HydrophobicContact CE-CE3 4.29Å; M465-W486 HydrophobicContact CE-CZ3 3.7Å; M465-W486 HydrophobicContact CG-CZ3 4Å; M465-W486 HydrophobicContact SD-CZ3 3.87Å; M465-L487 HydrophobicContact CG-CD2 3.62Å; M465-R648 HydrophobicContact CB-CG 4.25Å; M465-R648 HydrophobicContact CE-CG 3.52Å; M465-R648 PolarHBondContact O-NE 2.86Å; M465-R648 PolarHBondContact O-NH2 3.3Å; M465-R648 HydrophobicContact SD-CG 4.25Å
466Y85.7Confident84.6Confident43 Ų4346.6 Ų46.617%0.16922%0.215CC..THydrogen-bonded Turntrans-103.5-3.7179.9-78.5-79.6000113.5Q462 E463 E464 F468 R644 M647 R648 I651Q462-Y466 VanDerWaalsContact O-CD2 3.25Å; Q462-Y466 WeakPolarHBondContact O-CD2 3.27Å; Q462-Y466 PolarHBondContact O-N 2.72Å; E463-Y466 PolarHBondContact O-N 2.84Å; E464-Y466 PolarHBondContact O-N 3.42Å; Y466-F468 HydrophobicContact CD1-CE2 4.44Å; Y466-F468 WeakPolarHBondContact O-CD2 3.33Å; Y466-F468 PolarHBondContact O-N 3.24Å; Y466-R644 PolarHBondContact OH-O 2.86Å; Y466-M647 WeakPolarHBondContact OH-CB 3.33Å; Y466-R648 HydrophobicContact CE2-CB 4.14Å; Y466-R648 HydrophobicContact CE2-CG 4.44Å; Y466-R648 WeakPolarHBondContact OH-CB 3.43Å; Y466-R648 PolarHBondContact OH-N 2.75Å; Y466-I651 HydrophobicContact CD1-CD1 4.3Å; Y466-I651 HydrophobicContact CE1-CD1 3.61Å
467D84.4Confident83.6Confident59 Ų5946.4 Ų46.432%0.31622%0.215SC..  trans-8977-179.1-158.660.2000113.7E463 E464 R469 R537E463-D467 PolarHBondContact O-N 3.49Å; E464-D467 PolarHBondContact O-N 3.05Å; D467-R469 PolarHBondContact O-N 2.87Å; D467-R469 VanDerWaalsContact O-N 3.08Å; D467-R537 IonicContact OD1-NH2 3.96Å; D467-R537 PolarHBondContact OD1-NH2 3.42Å
468F88.4Confident82.8Confident33 Ų3343.5 Ų43.515%0.14522%0.219CC..  trans-81.484.4-176.4-51.7-63.1000113.4M465 Y466 A489 K491 V754 L759M465-F468 WeakPolarHBondContact O-CE1 3.27Å; M465-F468 VanDerWaalsContact O-CZ 3.26Å; M465-F468 WeakPolarHBondContact O-CZ 3.39Å; Y466-F468 HydrophobicContact CD1-CE2 4.44Å; Y466-F468 WeakPolarHBondContact O-CD2 3.33Å; Y466-F468 PolarHBondContact O-N 3.24Å; F468-A489 HydrophobicContact CD1-CB 4.31Å; F468-A489 HydrophobicContact CE1-CB 4.43Å; F468-K491 HydrophobicContact CB-CB 4.02Å; F468-V754 HydrophobicContact CD1-CB 4.16Å; F468-V754 HydrophobicContact CD1-CG2 3.94Å; F468-V754 HydrophobicContact CE1-CB 4.22Å; F468-V754 HydrophobicContact CE1-CG2 3.61Å; F468-V754 HydrophobicContact CZ-CG2 4.27Å; F468-L759 HydrophobicContact CD2-CD1 3.99Å; F468-L759 HydrophobicContact CD2-CD2 4.08Å; F468-L759 HydrophobicContact CE2-CD2 3.79Å
469R85.2Confident82.3Confident51 Ų5147.1 Ų47.119%0.19224%0.236CC..PPolyproline II helixtrans-61.1150.6175.8-62-167.3-172.2-165.315.2113.2D467 Y471 E479 W481 M490 K491D467-R469 PolarHBondContact O-N 2.87Å; D467-R469 VanDerWaalsContact O-N 3.08Å; R469-Y471 PolarHBondContact O-N 3.35Å; R469-E479 IonicContact CZ-OE1 2.68Å; R469-E479 IonicContact CZ-OE2 3.42Å; R469-E479 IonicContact NH1-OE1 2.91Å; R469-E479 PolarHBondContact NH1-OE1 2.98Å; R469-E479 IonicContact NH1-OE2 2.72Å; R469-E479 PolarHBondContact NH1-OE2 3.19Å; R469-E479 IonicContact NH2-OE2 3.33Å; R469-E479 PolarHBondContact NH2-OE2 3.31Å; R469-W481 HydrophobicContact CG-CD2 4.36Å; R469-W481 HydrophobicContact CG-CZ2 4.1Å; R469-W481 VanDerWaalsContact CZ-CE3 3.49Å; R469-W481 VanDerWaalsContact NE-CE2 3.35Å; R469-M490 CarbonylContact O-C 3.37Å; R469-M490 VanDerWaalsContact O-CA 3.25Å; R469-M490 WeakPolarHBondContact O-CA 3.08Å; R469-M490 WeakPolarHBondContact O-CB 3.19Å; R469-K491 PolarHBondContact O-N 2.81Å
470T85.6Confident81.7Confident6 Ų655.6 Ų55.64%0.03727%0.268CS..BIsolated β-bridgetrans-64.7128.8-175.9-51.50000113H473 D1981T470-H473 WeakPolarHBondContact O-CB 3.14Å; T470-H473 PolarHBondContact O-N 2.91Å; T470-D1981 WeakPolarHBondContact CB-OD1 3.32Å; T470-D1981 HydrophobicContact CG2-CB 4.5Å; T470-D1981 PolarHBondContact N-OD1 3.42Å; T470-D1981 VanDerWaalsContact OG1-CA 3.27Å; T470-D1981 WeakPolarHBondContact OG1-CA 3.41Å; T470-D1981 VanDerWaalsContact OG1-CB 3.28Å; T470-D1981 WeakPolarHBondContact OG1-CB 3.43Å; T470-D1981 PolarHBondContact OG1-OD1 3.05Å
471Y85.4Confident81.4Confident15 Ų1553.7 Ų53.76%0.05926%0.255CS..THydrogen-bonded Turntrans-61.6145.7177-170.5-86.8000112.2R469 H473 M490 K491 K492 D747 Y751 I753 R1977R469-Y471 PolarHBondContact O-N 3.35Å; Y471-H473 PolarHBondContact O-N 3.36Å; Y471-M490 HydrophobicContact CD2-CB 4.09Å; Y471-M490 HydrophobicContact CD2-CE 3.79Å; Y471-M490 HydrophobicContact CE2-CE 3.98Å; Y471-K491 WeakPolarHBondContact CB-O 3.16Å; Y471-K491 PolarHBondContact N-O 3.34Å; Y471-K492 HydrophobicContact CD1-CD 4.42Å; Y471-K492 HydrophobicContact CD1-CG 4.1Å; Y471-K492 HydrophobicContact CD2-CB 4.12Å; Y471-K492 HydrophobicContact CD2-CD 4.06Å; Y471-K492 HydrophobicContact CD2-CG 4.08Å; Y471-K492 HydrophobicContact CE1-CD 4.42Å; Y471-K492 HydrophobicContact CE2-CD 4.05Å; Y471-K492 HydrophobicContact CG-CB 4.08Å; Y471-K492 HydrophobicContact CG-CD 4.29Å; Y471-K492 HydrophobicContact CG-CG 3.89Å; Y471-D747 PolarHBondContact OH-OD2 3.39Å; Y471-D747 VanDerWaalsContact OH-OD2 3.1Å; Y471-Y751 HydrophobicContact CE2-CD2 4.3Å; Y471-Y751 HydrophobicContact CE2-CG 4.32Å; Y471-I753 HydrophobicContact CD2-CG2 3.76Å; Y471-I753 HydrophobicContact CE2-CG2 3.81Å; Y471-R1977 WeakPolarHBondContact O-CD 3.5Å
472D77.7Confident81.2Confident47 Ų4750.4 Ų50.425%0.25124%0.243SC..THydrogen-bonded Turntrans57.311.4-170.4-63.4-41000116.1T474 Y1973 R1977D472-T474 PolarHBondContact O-N 3Å; D472-Y1973 HydrophobicContact CB-CE1 3.65Å; D472-Y1973 VanDerWaalsContact OD2-CE1 3.3Å; D472-Y1973 WeakPolarHBondContact OD2-CE1 3.47Å; D472-Y1973 PolarHBondContact OD2-OH 3.4Å; D472-R1977 HydrophobicContact CB-CG 4.33Å
473H77.8Confident80.9Confident6 Ų654.1 Ų54.13%0.02826%0.262CS..  trans-69.2127.1177.6-177-101.4000111.6T470 Y471 K475 A476 I477 D1981T470-H473 WeakPolarHBondContact O-CB 3.14Å; T470-H473 PolarHBondContact O-N 2.91Å; Y471-H473 PolarHBondContact O-N 3.36Å; H473-K475 VanDerWaalsContact C-N 3.29Å; H473-K475 PolarHBondContact O-N 2.99Å; H473-K475 VanDerWaalsContact O-N 3.12Å; H473-A476 HydrophobicContact CB-CB 4.4Å; H473-A476 WeakPolarHBondContact O-CB 3.02Å; H473-A476 PolarHBondContact O-N 3.45Å; H473-I477 PolarHBondContact O-N 2.84Å; H473-D1981 IonicContact CE1-OD2 2.7Å; H473-D1981 IonicContact NE2-OD2 3.28Å
474T73.2Confident80.7Confident74 Ų7456.7 Ų56.745%0.45428%0.277SS..Hα-helixtrans-54.3-38.3-170.453.10000114.3D472 S478 A1974D472-T474 PolarHBondContact O-N 3Å; T474-S478 PolarHBondContact O-N 3.2Å; T474-A1974 HydrophobicContact CG2-CB 4.16Å
475K72.3Confident80.7Confident103 Ų10356.9 Ų56.945%0.44828%0.279SS..Hα-helixtrans-69.8-35.2177.6-53.2-177.3-172.1112.90112.2H473 I477 S478 E479 E1978H473-K475 VanDerWaalsContact C-N 3.29Å; H473-K475 PolarHBondContact O-N 2.99Å; H473-K475 VanDerWaalsContact O-N 3.12Å; K475-I477 PolarHBondContact O-N 2.84Å; K475-S478 WeakPolarHBondContact O-CB 3.13Å; K475-S478 PolarHBondContact O-N 3.41Å; K475-E479 WeakPolarHBondContact O-CG 3.47Å; K475-E479 PolarHBondContact O-N 3.25Å; K475-E1978 IonicContact NZ-OE1 3.27Å; K475-E1978 PolarHBondContact NZ-OE1 2.9Å
476A67.4Low80.6Confident0 Ų057.2 Ų57.20%028%0.28CS..Hα-helixtrans-64.3-41.3178.400000111.5H473 S478 E479 R480 W481 M490H473-A476 HydrophobicContact CB-CB 4.4Å; H473-A476 WeakPolarHBondContact O-CB 3.02Å; H473-A476 PolarHBondContact O-N 3.45Å; A476-S478 VanDerWaalsContact C-N 3.34Å; A476-S478 PolarHBondContact O-N 2.97Å; A476-E479 CarbonylContact O-C 3.56Å; A476-E479 PolarHBondContact O-N 3.07Å; A476-R480 PolarHBondContact O-N 3.11Å; A476-W481 HydrophobicContact CB-CB 4.14Å; A476-W481 PolarHBondContact O-N 3.09Å; A476-M490 HydrophobicContact CB-SD 3.89Å
477I68.6Low80.5Confident85 Ų8555.7 Ų55.744%0.43628%0.275SS..Hα-helixtrans-61.1-43.2173.8-58.2171.5000110.8H473 K475 E479 R480H473-I477 PolarHBondContact O-N 2.84Å; K475-I477 PolarHBondContact O-N 2.84Å; I477-E479 VanDerWaalsContact C-N 3.28Å; I477-E479 PolarHBondContact O-N 3.3Å; I477-R480 PolarHBondContact O-N 2.77Å; I477-R480 VanDerWaalsContact O-N 3.15Å
478S74.2Confident80.7Confident105 Ų10554.4 Ų54.473%0.73427%0.267SS*.Hα-helixtrans-65-29.7177.1-169.60000113.7T474 K475 A476T474-S478 PolarHBondContact O-N 3.2Å; K475-S478 WeakPolarHBondContact O-CB 3.13Å; K475-S478 PolarHBondContact O-N 3.41Å; A476-S478 VanDerWaalsContact C-N 3.34Å; A476-S478 PolarHBondContact O-N 2.97Å
479E79.7Confident80.8Confident101 Ų10153 Ų5347%0.47226%0.261SS..Hα-helixtrans-88.5-6.1176.2-69.7170.2-111.600113R469 K475 A476 I477 W481R469-E479 IonicContact CZ-OE1 2.68Å; R469-E479 IonicContact CZ-OE2 3.42Å; R469-E479 IonicContact NH1-OE1 2.91Å; R469-E479 PolarHBondContact NH1-OE1 2.98Å; R469-E479 IonicContact NH1-OE2 2.72Å; R469-E479 PolarHBondContact NH1-OE2 3.19Å; R469-E479 IonicContact NH2-OE2 3.33Å; R469-E479 PolarHBondContact NH2-OE2 3.31Å; K475-E479 WeakPolarHBondContact O-CG 3.47Å; K475-E479 PolarHBondContact O-N 3.25Å; A476-E479 CarbonylContact O-C 3.56Å; A476-E479 PolarHBondContact O-N 3.07Å; I477-E479 VanDerWaalsContact C-N 3.28Å; I477-E479 PolarHBondContact O-N 3.3Å; E479-W481 PolarHBondContact O-N 2.78Å
480R79.8Confident81Confident179 Ų17950.7 Ų50.768%0.67525%0.252SS*.THydrogen-bonded Turntrans5918.8-169.2-56.1-177173.9-164-2.7115A476 I477 G482 L483A476-R480 PolarHBondContact O-N 3.11Å; I477-R480 PolarHBondContact O-N 2.77Å; I477-R480 VanDerWaalsContact O-N 3.15Å; R480-G482 PolarHBondContact O-N 3.22Å; R480-L483 PolarHBondContact O-N 2.77Å
481W83.9Confident81.3Confident32 Ų3252.1 Ų52.112%0.12126%0.258CS..THydrogen-bonded Turntrans-56.6119.7-176.4-167.9-82.1000110.6R469 A476 E479 H488R469-W481 HydrophobicContact CG-CD2 4.36Å; R469-W481 HydrophobicContact CG-CZ2 4.1Å; R469-W481 VanDerWaalsContact CZ-CE3 3.49Å; R469-W481 VanDerWaalsContact NE-CE2 3.35Å; A476-W481 HydrophobicContact CB-CB 4.14Å; A476-W481 PolarHBondContact O-N 3.09Å; E479-W481 PolarHBondContact O-N 2.78Å; W481-H488 HydrophobicContact CD2-CB 3.72Å; W481-H488 AromaticContact CD2-CG 3.91Å; W481-H488 AromaticContact CE2-CD2 3.9Å; W481-H488 AromaticContact CE2-CG 3.93Å; W481-H488 HydrophobicContact CE3-CB 4.25Å; W481-H488 AromaticContact CE3-CD2 3.98Å; W481-H488 AromaticContact CE3-CG 3.92Å; W481-H488 HydrophobicContact CG-CB 3.95Å; W481-H488 AromaticContact CH2-CD2 3.35Å; W481-H488 WeakPolarHBondContact CH2-CD2 3.33Å; W481-H488 AromaticContact CH2-NE2 3.81Å; W481-H488 HydrophobicContact CZ2-CB 4.15Å; W481-H488 AromaticContact CZ2-CD2 3.54Å; W481-H488 AromaticContact CZ3-CD2 3.57Å; W481-H488 AromaticContact CZ3-CG 3.99Å; W481-H488 AromaticContact CZ3-NE2 3.75Å; W481-H488 PolarHBondContact NE1-O 3.31Å
482G84.4Confident81.5Confident0 Ų052.5 Ų52.50%026%0.26CS..THydrogen-bonded Turntrans89.8-5.6-18000000115.2R480 D484 H488 Y751 W752R480-G482 PolarHBondContact O-N 3.22Å; G482-D484 PolarHBondContact N-OD1 3.36Å; G482-H488 WeakPolarHBondContact CA-O 3.42Å; G482-H488 PolarHBondContact N-O 3.29Å; G482-Y751 CarbonylContact O-C 3.34Å; G482-Y751 WeakPolarHBondContact O-CA 3.15Å; G482-W752 VanDerWaalsContact O-CD1 3.25Å; G482-W752 PolarHBondContact O-N 3.33Å
483L85Confident81.9Confident83 Ų8352.2 Ų52.244%0.43526%0.26SS..THydrogen-bonded Turntrans-90-22.1163.5-68.4171.9000112.2R480 Y751R480-L483 PolarHBondContact O-N 2.77Å; L483-Y751 HydrophobicContact CD1-CE1 3.81Å; L483-Y751 HydrophobicContact CD2-CD1 3.56Å; L483-Y751 HydrophobicContact CD2-CD2 4.17Å; L483-Y751 HydrophobicContact CD2-CE1 3.59Å; L483-Y751 HydrophobicContact CD2-CE2 4.16Å; L483-Y751 HydrophobicContact CD2-CG 3.88Å; L483-Y751 HydrophobicContact CG-CD1 3.59Å; L483-Y751 HydrophobicContact CG-CE1 3.37Å; L483-Y751 HydrophobicContact CG-CG 4.42Å
484D84.4Confident82.3Confident79 Ų7952.5 Ų52.542%0.42227%0.266SS..SBendtrans-87.8-58.2-169.362.4-35.2000112.7G482 H488G482-D484 PolarHBondContact N-OD1 3.36Å; D484-H488 IonicContact OD1-ND1 3.93Å; D484-H488 IonicContact OD2-CE1 3.94Å; D484-H488 PolarHBondContact OD2-CE1 3.09Å; D484-H488 IonicContact OD2-CG 3.72Å; D484-H488 IonicContact OD2-ND1 2.81Å; D484-H488 PolarHBondContact OD2-ND1 3.41Å
485M86.7Confident82.8Confident89 Ų8952.6 Ų52.644%0.43826%0.263SS..  trans-145.7150.7-172.6-65.2-167.671.700112L487 H488 W752M485-L487 HydrophobicContact CB-CB 4.47Å; M485-L487 HydrophobicContact CE-CD1 3.95Å; M485-L487 PolarHBondContact O-N 2.86Å; M485-L487 HydrophobicContact SD-CD1 4.31Å; M485-H488 PolarHBondContact O-N 2.8Å; M485-H488 VanDerWaalsContact O-N 3.07Å; M485-W752 VanDerWaalsContact C-NE1 3.29Å; M485-W752 VanDerWaalsContact O-CD1 3.23Å
486W82.2Confident83.5Confident12 Ų1247.8 Ų47.85%0.04524%0.242CC..G310 helixtrans-67.3-13179.651.8-106.8000114.2R461 M465 E739 E740 H744 W752R461-W486 VanDerWaalsContact NH2-CH2 3.29Å; M465-W486 HydrophobicContact CE-CE3 4.29Å; M465-W486 HydrophobicContact CE-CZ3 3.7Å; M465-W486 HydrophobicContact CG-CZ3 4Å; M465-W486 HydrophobicContact SD-CZ3 3.87Å; W486-E739 VanDerWaalsContact CD1-CG 3.41Å; W486-E739 HydrophobicContact CD2-CB 4.35Å; W486-E739 HydrophobicContact CG-CB 4.13Å; W486-E739 HydrophobicContact CG-CG 4.23Å; W486-E739 VanDerWaalsContact NE1-CD 3.34Å; W486-E739 PolarHBondContact NE1-OE2 3.46Å; W486-E740 HydrophobicContact CH2-CG 4.11Å; W486-E740 WeakPolarHBondContact CH2-OE2 3.25Å; W486-E740 HydrophobicContact CZ2-CG 3.78Å; W486-H744 HydrophobicContact CB-CB 4.44Å; W486-H744 AromaticContact CE3-CE1 3.65Å; W486-W752 HydrophobicContact CB-CD2 3.77Å; W486-W752 HydrophobicContact CB-CE3 4.02Å; W486-W752 HydrophobicContact CB-CG 4.29Å; W486-W752 HydrophobicContact CB-CH2 4.06Å; W486-W752 HydrophobicContact CB-CZ2 3.82Å; W486-W752 HydrophobicContact CB-CZ3 4.18Å; W486-W752 HydrophobicContact CG-CZ2 4.44Å
487L85.1Confident84.5Confident11 Ų1151.1 Ų51.16%0.05826%0.26CS..G310 helixtrans-59.6-48.8168.1-65.9163.7000109.8R461 M465 M485 A489R461-L487 HydrophobicContact CG-CD2 4.06Å; M465-L487 HydrophobicContact CG-CD2 3.62Å; M485-L487 HydrophobicContact CB-CB 4.47Å; M485-L487 HydrophobicContact CE-CD1 3.95Å; M485-L487 PolarHBondContact O-N 2.86Å; M485-L487 HydrophobicContact SD-CD1 4.31Å; L487-A489 VanDerWaalsContact C-N 3.26Å; L487-A489 PolarHBondContact O-N 3.25Å; L487-A489 VanDerWaalsContact O-N 3.07Å
488H87.8Confident84.9Confident32 Ų3255.7 Ų55.715%0.14828%0.279CS..G310 helixtrans-86.741.9-172.4-60.5148.8000113.5W481 G482 D484 M485W481-H488 HydrophobicContact CD2-CB 3.72Å; W481-H488 AromaticContact CD2-CG 3.91Å; W481-H488 AromaticContact CE2-CD2 3.9Å; W481-H488 AromaticContact CE2-CG 3.93Å; W481-H488 HydrophobicContact CE3-CB 4.25Å; W481-H488 AromaticContact CE3-CD2 3.98Å; W481-H488 AromaticContact CE3-CG 3.92Å; W481-H488 HydrophobicContact CG-CB 3.95Å; W481-H488 AromaticContact CH2-CD2 3.35Å; W481-H488 WeakPolarHBondContact CH2-CD2 3.33Å; W481-H488 AromaticContact CH2-NE2 3.81Å; W481-H488 HydrophobicContact CZ2-CB 4.15Å; W481-H488 AromaticContact CZ2-CD2 3.54Å; W481-H488 AromaticContact CZ3-CD2 3.57Å; W481-H488 AromaticContact CZ3-CG 3.99Å; W481-H488 AromaticContact CZ3-NE2 3.75Å; W481-H488 PolarHBondContact NE1-O 3.31Å; G482-H488 WeakPolarHBondContact CA-O 3.42Å; G482-H488 PolarHBondContact N-O 3.29Å; D484-H488 IonicContact OD1-ND1 3.93Å; D484-H488 IonicContact OD2-CE1 3.94Å; D484-H488 PolarHBondContact OD2-CE1 3.09Å; D484-H488 IonicContact OD2-CG 3.72Å; D484-H488 IonicContact OD2-ND1 2.81Å; D484-H488 PolarHBondContact OD2-ND1 3.41Å; M485-H488 PolarHBondContact O-N 2.8Å; M485-H488 VanDerWaalsContact O-N 3.07Å
489A90.8Very high85.2Confident3 Ų352.9 Ų52.93%0.02525%0.254CS..  trans-65.9139.7-17800000112.6F468 L487 W752 V754F468-A489 HydrophobicContact CD1-CB 4.31Å; F468-A489 HydrophobicContact CE1-CB 4.43Å; L487-A489 VanDerWaalsContact C-N 3.26Å; L487-A489 PolarHBondContact O-N 3.25Å; L487-A489 VanDerWaalsContact O-N 3.07Å; A489-W752 WeakPolarHBondContact CA-O 3.14Å; A489-W752 HydrophobicContact CB-CB 4.25Å; A489-V754 HydrophobicContact CB-CG2 4.14Å
490M89.2Confident85.5Confident2 Ų248.9 Ų48.91%0.0124%0.235CC..EExtended strand (participates in β ladder)trans-95.4144.6178.5-72.8-165.7-66.900113.3R469 Y471 A476 K492 Y751 W752 I753 V754R469-M490 CarbonylContact O-C 3.37Å; R469-M490 VanDerWaalsContact O-CA 3.25Å; R469-M490 WeakPolarHBondContact O-CA 3.08Å; R469-M490 WeakPolarHBondContact O-CB 3.19Å; Y471-M490 HydrophobicContact CD2-CB 4.09Å; Y471-M490 HydrophobicContact CD2-CE 3.79Å; Y471-M490 HydrophobicContact CE2-CE 3.98Å; A476-M490 HydrophobicContact CB-SD 3.89Å; M490-K492 PolarHBondContact O-N 2.96Å; M490-Y751 HydrophobicContact CE-CD1 3.22Å; M490-Y751 HydrophobicContact CE-CE1 3.66Å; M490-Y751 HydrophobicContact CE-CG 3.72Å; M490-W752 PolarHBondContact N-O 3.48Å; M490-I753 CarbonylContact O-C 3.16Å; M490-I753 VanDerWaalsContact O-CA 3.28Å; M490-I753 WeakPolarHBondContact O-CA 3.21Å; M490-V754 PolarHBondContact O-N 3Å
491K90.9Very high85.4Confident37 Ų3741.2 Ų41.216%0.16121%0.207CC..EExtended strand (participates in β ladder)trans-79.8107.2176.3-165.6178.463.6170.50111.4F468 R469 Y471 V754 D756 L759 D1984F468-K491 HydrophobicContact CB-CB 4.02Å; R469-K491 PolarHBondContact O-N 2.81Å; Y471-K491 WeakPolarHBondContact CB-O 3.16Å; Y471-K491 PolarHBondContact N-O 3.34Å; K491-V754 CarbonylContact C-O 3.58Å; K491-V754 VanDerWaalsContact CA-O 3.25Å; K491-V754 WeakPolarHBondContact CA-O 3.48Å; K491-D756 HydrophobicContact CD-CB 4.2Å; K491-D756 HydrophobicContact CG-CB 4.2Å; K491-L759 HydrophobicContact CD-CD1 3.83Å; K491-L759 HydrophobicContact CG-CD1 4.18Å; K491-D1984 WeakPolarHBondContact CE-OD2 3.47Å; K491-D1984 IonicContact NZ-OD1 3.43Å; K491-D1984 PolarHBondContact NZ-OD1 2.91Å; K491-D1984 IonicContact NZ-OD2 2.85Å; K491-D1984 PolarHBondContact NZ-OD2 2.85Å
492K90.4Very high85.5Confident23 Ų2340.2 Ų40.210%0.120%0.204CC..EExtended strand (participates in β ladder)trans-99.5137.4-179.2-164.4170.6-175.5176.90110.8Y471 M490 D747 I753 V754 Y755 D756Y471-K492 HydrophobicContact CD1-CD 4.42Å; Y471-K492 HydrophobicContact CD1-CG 4.1Å; Y471-K492 HydrophobicContact CD2-CB 4.12Å; Y471-K492 HydrophobicContact CD2-CD 4.06Å; Y471-K492 HydrophobicContact CD2-CG 4.08Å; Y471-K492 HydrophobicContact CE1-CD 4.42Å; Y471-K492 HydrophobicContact CE2-CD 4.05Å; Y471-K492 HydrophobicContact CG-CB 4.08Å; Y471-K492 HydrophobicContact CG-CD 4.29Å; Y471-K492 HydrophobicContact CG-CG 3.89Å; M490-K492 PolarHBondContact O-N 2.96Å; K492-D747 IonicContact NZ-OD2 3.62Å; K492-D747 PolarHBondContact NZ-OD2 3.28Å; K492-I753 HydrophobicContact CB-CB 4.34Å; K492-I753 HydrophobicContact CB-CG2 4.26Å; K492-I753 HydrophobicContact CD-CD1 3.8Å; K492-I753 HydrophobicContact CD-CG2 4.16Å; K492-V754 PolarHBondContact N-O 2.95Å; K492-Y755 HydrophobicContact CB-CD1 4.1Å; K492-Y755 HydrophobicContact CB-CE1 4.07Å; K492-Y755 HydrophobicContact CD-CE1 4.06Å; K492-Y755 HydrophobicContact CG-CE1 4.08Å; K492-Y755 WeakPolarHBondContact O-CA 3.49Å; K492-Y755 WeakPolarHBondContact O-CD1 3.16Å; K492-D756 PolarHBondContact O-N 3.05Å; K492-D756 VanDerWaalsContact O-N 3.11Å
493P85.8Confident85.5Confident40 Ų4043.4 Ų43.426%0.2622%0.218SC..  trans-79.6140.7-177.730.2-34.6000113.5N495 D756P493-N495 VanDerWaalsContact C-N 3.35Å; P493-N495 PolarHBondContact O-N 2.9Å; P493-D756 WeakPolarHBondContact CA-OD2 3.2Å
494G87.1Confident85.8Confident13 Ų1340.2 Ų40.213%0.13420%0.202CC..  trans-7269.5179.600000115.4W496 L497 D756G494-W496 VanDerWaalsContact C-N 3.27Å; G494-W496 PolarHBondContact O-N 2.67Å; G494-L497 WeakPolarHBondContact O-CD1 2.99Å; G494-L497 VanDerWaalsContact O-CG 3.29Å; G494-L497 WeakPolarHBondContact O-CG 3.43Å; G494-D756 PolarHBondContact N-OD1 3.46Å
495N83.2Confident85.8Confident75 Ų7541 Ų4140%0.40120%0.202SC..THydrogen-bonded Turntrans-73.9-0-172.672.6-12000116.7P493 V679P493-N495 VanDerWaalsContact C-N 3.35Å; P493-N495 PolarHBondContact O-N 2.9Å; N495-V679 HydrophobicContact CB-CG2 4.32Å; N495-V679 VanDerWaalsContact ND2-CG2 3.34Å; N495-V679 WeakPolarHBondContact ND2-CG2 3.04Å
496W87.2Confident85.7Confident2 Ų240 Ų401%0.00819%0.193CC..THydrogen-bonded Turntrans-100-9.4178.367.192.4000114.3G494 E498 F499 R658 R662 T665 Y755G494-W496 VanDerWaalsContact C-N 3.27Å; G494-W496 PolarHBondContact O-N 2.67Å; W496-E498 VanDerWaalsContact C-N 3.26Å; W496-E498 PolarHBondContact O-N 3Å; W496-E498 VanDerWaalsContact O-N 3.13Å; W496-F499 PolarHBondContact O-N 3.31Å; W496-R658 HydrophobicContact CZ2-CB 4.35Å; W496-R658 WeakPolarHBondContact CZ2-O 3.33Å; W496-R662 HydrophobicContact CD2-CB 3.6Å; W496-R662 HydrophobicContact CD2-CG 3.86Å; W496-R662 HydrophobicContact CE3-CB 3.79Å; W496-R662 HydrophobicContact CE3-CG 3.69Å; W496-R662 HydrophobicContact CG-CB 4.16Å; W496-R662 HydrophobicContact CG-CG 4.33Å; W496-R662 HydrophobicContact CH2-CB 4.03Å; W496-R662 HydrophobicContact CZ2-CB 3.87Å; W496-R662 HydrophobicContact CZ3-CB 3.99Å; W496-R662 HydrophobicContact CZ3-CG 4.08Å; W496-T665 HydrophobicContact CB-CG2 4.39Å; W496-Y755 AromaticContact CH2-CD1 3.51Å; W496-Y755 HydrophobicContact CH2-CD1 3.51Å; W496-Y755 HydrophobicContact CH2-CD2 4.07Å; W496-Y755 AromaticContact CH2-CE1 3.61Å; W496-Y755 HydrophobicContact CH2-CE1 3.61Å; W496-Y755 HydrophobicContact CH2-CE2 4.17Å; W496-Y755 AromaticContact CH2-CG 3.75Å; W496-Y755 HydrophobicContact CH2-CG 3.75Å; W496-Y755 AromaticContact CH2-CZ 3.95Å; W496-Y755 AromaticContact CZ3-CD1 3.71Å; W496-Y755 HydrophobicContact CZ3-CD1 3.71Å; W496-Y755 AromaticContact CZ3-CE1 3.47Å; W496-Y755 HydrophobicContact CZ3-CE1 3.47Å; W496-Y755 VanDerWaalsContact CZ3-CE1 3.47Å; W496-Y755 HydrophobicContact CZ3-CG 4.41Å; W496-Y755 AromaticContact CZ3-CZ 3.99Å
497L87.2Confident85.8Confident71 Ų7142.2 Ų42.237%0.37221%0.206SC..G310 helixtrans-58.8-33-165-66.8170.7000113.9G494 F499 I500 C757G494-L497 WeakPolarHBondContact O-CD1 2.99Å; G494-L497 VanDerWaalsContact O-CG 3.29Å; G494-L497 WeakPolarHBondContact O-CG 3.43Å; L497-F499 PolarHBondContact O-N 3.28Å; L497-I500 HydrophobicContact CD2-CD1 3.76Å; L497-I500 PolarHBondContact O-N 3.15Å; L497-C757 HydrophobicContact CD1-CB 4.21Å
498E78.9Confident85.8Confident180 Ų18042.7 Ų42.784%0.84121%0.208SC*.G310 helixtrans-66.2-25.2178.5-60-170.515700113.2W496W496-E498 VanDerWaalsContact C-N 3.26Å; W496-E498 PolarHBondContact O-N 3Å; W496-E498 VanDerWaalsContact O-N 3.13Å
499F80.4Confident85.6Confident46 Ų4643 Ų4320%0.20221%0.213CC..G310 helixtrans-90.20.9-177.6-54.5-77.2000113.6W496 L497 K501 T665 Q669 L671 V679W496-F499 PolarHBondContact O-N 3.31Å; L497-F499 PolarHBondContact O-N 3.28Å; F499-K501 PolarHBondContact O-N 2.98Å; F499-K501 VanDerWaalsContact O-N 3.09Å; F499-T665 HydrophobicContact CB-CG2 3.91Å; F499-Q669 HydrophobicContact CB-CG 4.49Å; F499-Q669 WeakPolarHBondContact O-CG 3.37Å; F499-L671 HydrophobicContact CB-CD1 3.93Å; F499-L671 HydrophobicContact CD1-CD2 4.03Å; F499-L671 HydrophobicContact CD2-CD1 4Å; F499-L671 HydrophobicContact CE1-CD2 4.39Å; F499-L671 HydrophobicContact CG-CD1 3.96Å; F499-L671 HydrophobicContact CG-CD2 4.11Å; F499-V679 HydrophobicContact CD2-CG1 4.34Å; F499-V679 HydrophobicContact CE2-CB 3.98Å; F499-V679 HydrophobicContact CE2-CG1 3.98Å
500I84.5Confident85.4Confident17 Ų1744.4 Ų44.49%0.08722%0.222CC..  trans-68.6109.4-176.2-66176.8000111L497 L502 E661 T665L497-I500 HydrophobicContact CD2-CD1 3.76Å; L497-I500 PolarHBondContact O-N 3.15Å; I500-L502 WeakPolarHBondContact CG2-O 3.22Å; I500-E661 HydrophobicContact CD1-CG 4.24Å; I500-E661 WeakPolarHBondContact CD1-OE2 3.5Å; I500-T665 HydrophobicContact CG1-CG2 4.19Å
501K78.5Confident85.3Confident19 Ų1945.2 Ų45.28%0.08323%0.227CC..  trans-107.5-24.6176.3-61.2-151.6172.3-154.60114.8F499 V691 D692 R1585 E1785F499-K501 PolarHBondContact O-N 2.98Å; F499-K501 VanDerWaalsContact O-N 3.09Å; K501-V691 HydrophobicContact CB-CG1 4.04Å; K501-V691 HydrophobicContact CD-CG1 3.53Å; K501-V691 HydrophobicContact CG-CG1 4.39Å; K501-D692 WeakPolarHBondContact CD-OD2 3.3Å; K501-D692 IonicContact NZ-OD1 2.72Å; K501-D692 IonicContact NZ-OD2 3.24Å; K501-D692 PolarHBondContact NZ-OD2 2.75Å; K501-R1585 PolarHBondContact O-NH1 2.68Å; K501-R1585 PolarHBondContact O-NH2 2.98Å; K501-E1785 VanDerWaalsContact CE-OE2 3.23Å; K501-E1785 WeakPolarHBondContact CE-OE2 3.44Å; K501-E1785 IonicContact NZ-OE2 3.51Å; K501-E1785 PolarHBondContact NZ-OE2 3.33Å
502L85.6Confident85Confident11 Ų1147.7 Ų47.76%0.05824%0.237CC..  trans-71136.7164.9-61.7173.1000108.7I500 R854 A857 Q858I500-L502 WeakPolarHBondContact CG2-O 3.22Å; L502-R854 HydrophobicContact CD2-CG 4.46Å; L502-A857 HydrophobicContact CD1-CB 3.58Å; L502-Q858 HydrophobicContact CD2-CB 4.4Å
503K85.3Confident84.8Confident66 Ų6648 Ų4829%0.28724%0.241SC..  trans-144.1140.3-177.7-78.2-68.7-174.1164.70109.2Q858 E1582 F1586K503-Q858 PolarHBondContact O-NE2 2.79Å; K503-E1582 WeakPolarHBondContact CD-OE1 3.33Å; K503-E1582 VanDerWaalsContact CE-OE1 3.24Å; K503-E1582 WeakPolarHBondContact CE-OE1 3.44Å; K503-E1582 IonicContact NZ-OE1 3.28Å; K503-E1582 PolarHBondContact NZ-OE1 2.89Å; K503-F1586 WeakPolarHBondContact O-CE2 3.4Å; K503-F1586 VanDerWaalsContact O-CZ 3.29Å; K503-F1586 WeakPolarHBondContact O-CZ 3.33Å
504P90Very high84.8Confident16 Ų1647.4 Ų47.410%0.10424%0.235CC..  trans-72.1143.5-168.429.1-36.8000113.6R506 T861 D862 Y865P504-R506 PolarHBondContact O-N 2.8Å; P504-T861 HydrophobicContact CB-CG2 4.33Å; P504-D862 WeakPolarHBondContact CA-OD1 3.08Å; P504-Y865 HydrophobicContact CB-CD2 4Å; P504-Y865 HydrophobicContact CB-CG 3.98Å; P504-Y865 HydrophobicContact CG-CD1 4.23Å; P504-Y865 HydrophobicContact CG-CD2 3.9Å; P504-Y865 HydrophobicContact CG-CG 3.72Å
505K84.4Confident84.8Confident97 Ų9747.9 Ų47.942%0.42223%0.234SC..  trans-75.6112.4167-171.3169.7-173.9168.20109.5D862 F1586 E1590K505-D862 PolarHBondContact N-OD1 3.29Å; K505-F1586 HydrophobicContact CB-CD2 4.11Å; K505-F1586 HydrophobicContact CB-CE2 4.09Å; K505-F1586 HydrophobicContact CB-CG 4.33Å; K505-F1586 HydrophobicContact CB-CZ 4.29Å; K505-F1586 HydrophobicContact CD-CD1 4.39Å; K505-F1586 HydrophobicContact CD-CG 4.43Å; K505-F1586 HydrophobicContact CG-CB 4.4Å; K505-F1586 HydrophobicContact CG-CD1 4.48Å; K505-F1586 HydrophobicContact CG-CD2 4.25Å; K505-F1586 HydrophobicContact CG-CG 4.13Å; K505-E1590 IonicContact NZ-OE1 2.86Å; K505-E1590 PolarHBondContact NZ-OE1 2.84Å
506R85.3Confident84.8Confident66 Ų6647.7 Ų47.725%0.24923%0.231CC..  trans-91.2155-175-61.6168.2167.9-147.93.1112.4P504 V511 E1579 E1582 N1583 L1649P504-R506 PolarHBondContact O-N 2.8Å; R506-V511 HydrophobicContact CB-CG2 3.75Å; R506-V511 HydrophobicContact CG-CG2 4.33Å; R506-E1579 IonicContact CZ-OE1 3.89Å; R506-E1579 VanDerWaalsContact CZ-OE1 3.28Å; R506-E1579 IonicContact CZ-OE2 3.74Å; R506-E1579 IonicContact NH1-OE1 2.83Å; R506-E1579 PolarHBondContact NH1-OE1 2.98Å; R506-E1579 IonicContact NH1-OE2 2.73Å; R506-E1579 PolarHBondContact NH1-OE2 3.45Å; R506-E1579 IonicContact NH2-OE1 2.91Å; R506-E1579 PolarHBondContact NH2-OE1 3.42Å; R506-E1582 IonicContact CZ-OE2 3.06Å; R506-E1582 IonicContact NE-OE2 3.64Å; R506-E1582 IonicContact NH2-OE2 3.36Å; R506-E1582 PolarHBondContact NH2-OE2 3.21Å; R506-N1583 WeakPolarHBondContact CD-OD1 3.46Å; R506-N1583 PolarHBondContact NH1-OD1 3.48Å; R506-L1649 WeakPolarHBondContact O-CD2 3.4Å
507D85.1Confident84.7Confident60 Ų6048.3 Ų48.332%0.32123%0.234SC..  trans-94.5128.9173.9178.3-63.5000111C509 V510 V511D507-C509 PolarHBondContact O-N 3.41Å; D507-C509 WeakPolarHBondContact OD1-CA 3.44Å; D507-C509 VanDerWaalsContact OD1-CB 3.27Å; D507-C509 WeakPolarHBondContact OD1-CB 3.12Å; D507-C509 PolarHBondContact OD1-N 3.2Å; D507-V510 HydrophobicContact CB-CB 4.12Å; D507-V510 HydrophobicContact CB-CG2 3.92Å; D507-V510 PolarHBondContact O-N 2.66Å; D507-V510 PolarHBondContact OD1-N 3.35Å; D507-V511 WeakPolarHBondContact O-CG2 3.45Å; D507-V511 PolarHBondContact O-N 3.22Å
508E84.3Confident84.6Confident21 Ų2149.9 Ų49.910%0.09824%0.235CC..Hα-helixtrans-55-44.8-178.5-173.2-139.9148.200113.5K512 H1645 R1648 L1649 A1652E508-K512 WeakPolarHBondContact O-CB 2.83Å; E508-K512 PolarHBondContact O-N 3.08Å; E508-H1645 VanDerWaalsContact CB-CE1 3.43Å; E508-H1645 WeakPolarHBondContact CB-CE1 3.16Å; E508-H1645 IonicContact OE2-CE1 3.33Å; E508-H1645 IonicContact OE2-CG 2.74Å; E508-H1645 IonicContact OE2-ND1 2.84Å; E508-H1645 PolarHBondContact OE2-ND1 3.35Å; E508-R1648 HydrophobicContact CG-CB 4.02Å; E508-R1648 VanDerWaalsContact OE1-CB 3.31Å; E508-R1648 WeakPolarHBondContact OE1-CB 3.43Å; E508-R1648 WeakPolarHBondContact OE1-CD 3.49Å; E508-R1648 IonicContact OE1-CZ 3.88Å; E508-R1648 IonicContact OE1-NE 2.82Å; E508-R1648 IonicContact OE1-NH1 3.15Å; E508-R1648 PolarHBondContact OE1-NH1 3.1Å; E508-R1648 IonicContact OE2-CZ 3.97Å; E508-R1648 IonicContact OE2-NH1 2.69Å; E508-R1648 PolarHBondContact OE2-NH1 3.05Å; E508-L1649 HydrophobicContact CB-CB 4.08Å; E508-L1649 HydrophobicContact CB-CD1 4.24Å; E508-L1649 HydrophobicContact CG-CB 4.2Å; E508-A1652 HydrophobicContact CG-CB 4.39Å
509C83Confident84.8Confident38 Ų3843.8 Ų43.826%0.25721%0.212SC..Hα-helixtrans-70.5-41-177.1-168.70000110.2D507 T513D507-C509 PolarHBondContact O-N 3.41Å; D507-C509 WeakPolarHBondContact OD1-CA 3.44Å; D507-C509 VanDerWaalsContact OD1-CB 3.27Å; D507-C509 WeakPolarHBondContact OD1-CB 3.12Å; D507-C509 PolarHBondContact OD1-N 3.2Å; C509-T513 WeakPolarHBondContact O-CB 3.26Å; C509-T513 PolarHBondContact O-N 2.71Å; C509-T513 PolarHBondContact O-OG1 2.93Å
510V87Confident84.5Confident33 Ų3346.8 Ų46.820%0.223%0.23CC..Hα-helixtrans-65.9-48.8177.4-179.10000111D507 T513 M514 R867 R869D507-V510 HydrophobicContact CB-CB 4.12Å; D507-V510 HydrophobicContact CB-CG2 3.92Å; D507-V510 PolarHBondContact O-N 2.66Å; D507-V510 PolarHBondContact OD1-N 3.35Å; V510-T513 PolarHBondContact O-N 2.93Å; V510-M514 WeakPolarHBondContact O-CB 3.15Å; V510-M514 PolarHBondContact O-N 3.47Å; V510-R867 HydrophobicContact CG1-CB 4.28Å; V510-R869 HydrophobicContact CG2-CB 4.46Å; V510-R869 HydrophobicContact CG2-CG 3.68Å
511V88.1Confident83.8Confident19 Ų1951.1 Ų51.112%0.11526%0.257CS..Hα-helixtrans-60.9-48.6178.7173.30000110.9R506 D507 T513 M514 M515 A1652R506-V511 HydrophobicContact CB-CG2 3.75Å; R506-V511 HydrophobicContact CG-CG2 4.33Å; D507-V511 WeakPolarHBondContact O-CG2 3.45Å; D507-V511 PolarHBondContact O-N 3.22Å; V511-T513 PolarHBondContact O-N 3.34Å; V511-M514 PolarHBondContact O-N 2.71Å; V511-M515 VanDerWaalsContact O-CB 3.31Å; V511-M515 WeakPolarHBondContact O-CB 3.07Å; V511-M515 PolarHBondContact O-N 2.82Å; V511-A1652 HydrophobicContact CB-CB 4.11Å; V511-A1652 HydrophobicContact CG1-CB 3.81Å
512K84.9Confident83.6Confident88 Ų8856.3 Ų56.338%0.38328%0.276SS..Hα-helixtrans-59.4-48.9178.3-178.8-171.3168.5-1710111.5E508 M514 M515 E516 A1652E508-K512 WeakPolarHBondContact O-CB 2.83Å; E508-K512 PolarHBondContact O-N 3.08Å; K512-M514 PolarHBondContact O-N 3.4Å; K512-M515 PolarHBondContact O-N 3.04Å; K512-E516 WeakPolarHBondContact CE-OE1 2.94Å; K512-E516 IonicContact NZ-OE1 2.83Å; K512-E516 WeakPolarHBondContact O-CB 3.08Å; K512-E516 WeakPolarHBondContact O-CG 3.4Å; K512-E516 PolarHBondContact O-N 2.65Å; K512-A1652 HydrophobicContact CB-CB 4.21Å
513T84.5Confident83.4Confident30 Ų3057 Ų5718%0.18428%0.28CS..Hα-helixtrans-63.7-42.8-178-56.20000111C509 V510 V511 E516 L517 L872C509-T513 WeakPolarHBondContact O-CB 3.26Å; C509-T513 PolarHBondContact O-N 2.71Å; C509-T513 PolarHBondContact O-OG1 2.93Å; V510-T513 PolarHBondContact O-N 2.93Å; V511-T513 PolarHBondContact O-N 3.34Å; T513-E516 PolarHBondContact O-N 2.87Å; T513-L517 WeakPolarHBondContact O-CG 2.89Å; T513-L517 PolarHBondContact O-N 3.23Å; T513-L872 HydrophobicContact CG2-CD1 3.47Å; T513-L872 VanDerWaalsContact CG2-CD1 3.47Å; T513-L872 HydrophobicContact CG2-CG 3.88Å
514M87.6Confident83.3Confident27 Ų2754.4 Ų54.413%0.13327%0.269CS..Hα-helixtrans-67.4-38.9177.3-168.461.479.700112V510 V511 K512 L517 R518 D768 I772V510-M514 WeakPolarHBondContact O-CB 3.15Å; V510-M514 PolarHBondContact O-N 3.47Å; V511-M514 PolarHBondContact O-N 2.71Å; K512-M514 PolarHBondContact O-N 3.4Å; M514-L517 PolarHBondContact O-N 2.76Å; M514-L517 HydrophobicContact SD-CD1 4.45Å; M514-R518 HydrophobicContact CG-CG 4.3Å; M514-R518 WeakPolarHBondContact O-CB 3.36Å; M514-R518 VanDerWaalsContact O-CG 3.31Å; M514-R518 WeakPolarHBondContact O-CG 2.94Å; M514-R518 PolarHBondContact O-N 2.82Å; M514-R518 HydrophobicContact SD-CG 4.44Å; M514-D768 HydrophobicContact CE-CB 3.8Å; M514-D768 WeakPolarHBondContact CE-OD2 3.34Å; M514-D768 HydrophobicContact SD-CB 4.06Å; M514-I772 HydrophobicContact CE-CD1 4.26Å
515M87Confident82.6Confident23 Ų2356.3 Ų56.311%0.11328%0.277CS..Hα-helixtrans-64.5-39.8174.3-173.852.55300111.6V511 K512 R518 C519 G1653 K1655V511-M515 VanDerWaalsContact O-CB 3.31Å; V511-M515 WeakPolarHBondContact O-CB 3.07Å; V511-M515 PolarHBondContact O-N 2.82Å; K512-M515 PolarHBondContact O-N 3.04Å; M515-R518 PolarHBondContact O-N 3.29Å; M515-C519 VanDerWaalsContact O-CB 3.28Å; M515-C519 WeakPolarHBondContact O-CB 2.95Å; M515-C519 PolarHBondContact O-N 3.48Å; M515-C519 PolarHBondContact O-SG 2.78Å; M515-G1653 VanDerWaalsContact CE-O 3.31Å; M515-G1653 WeakPolarHBondContact CE-O 3.34Å; M515-K1655 HydrophobicContact SD-CG 3.88Å
516E82.8Confident82.2Confident71 Ų7152.5 Ų52.533%0.33226%0.261SS..Hα-helixtrans-67.9-33.9175.2-74.3171.4-177.200112.3K512 T513 N520 R1659K512-E516 WeakPolarHBondContact CE-OE1 2.94Å; K512-E516 IonicContact NZ-OE1 2.83Å; K512-E516 WeakPolarHBondContact O-CB 3.08Å; K512-E516 WeakPolarHBondContact O-CG 3.4Å; K512-E516 PolarHBondContact O-N 2.65Å; T513-E516 PolarHBondContact O-N 2.87Å; E516-N520 PolarHBondContact O-ND2 3.45Å; E516-R1659 IonicContact OE1-NH1 2.73Å
517L85.2Confident82.2Confident15 Ų1549.4 Ų49.48%0.07925%0.249CC..Hα-helixtrans-68.3-52169.8-72.4173.3000112.3T513 M514 C519 N520 L771 I772 K775 L872T513-L517 WeakPolarHBondContact O-CG 2.89Å; T513-L517 PolarHBondContact O-N 3.23Å; M514-L517 PolarHBondContact O-N 2.76Å; M514-L517 HydrophobicContact SD-CD1 4.45Å; L517-C519 VanDerWaalsContact C-N 3.28Å; L517-C519 PolarHBondContact O-N 2.86Å; L517-N520 PolarHBondContact O-N 2.74Å; L517-L771 HydrophobicContact CB-CB 4.36Å; L517-L771 HydrophobicContact CB-CD1 4.49Å; L517-I772 HydrophobicContact CD1-CG1 3.88Å; L517-K775 HydrophobicContact CD2-CB 3.74Å; L517-K775 HydrophobicContact CD2-CG 3.89Å; L517-L872 HydrophobicContact CD2-CD1 4.27Å; L517-L872 HydrophobicContact CG-CD1 4.45Å
518R85.5Confident82.2Confident105 Ų10548.2 Ų48.240%0.39624%0.243SC..Hα-helixtrans-61.7-33.3-179.2-71.3176.2178-163.9-2.2112.2M514 M515 N520 T521 D768 L771M514-R518 HydrophobicContact CG-CG 4.3Å; M514-R518 WeakPolarHBondContact O-CB 3.36Å; M514-R518 VanDerWaalsContact O-CG 3.31Å; M514-R518 WeakPolarHBondContact O-CG 2.94Å; M514-R518 PolarHBondContact O-N 2.82Å; M514-R518 HydrophobicContact SD-CG 4.44Å; M515-R518 PolarHBondContact O-N 3.29Å; R518-N520 VanDerWaalsContact C-N 3.27Å; R518-N520 PolarHBondContact O-N 3.28Å; R518-T521 WeakPolarHBondContact O-CG2 2.96Å; R518-D768 IonicContact CZ-OD1 2.69Å; R518-D768 VanDerWaalsContact CZ-OD1 3.23Å; R518-D768 IonicContact CZ-OD2 3.25Å; R518-D768 IonicContact NE-OD1 3.39Å; R518-D768 PolarHBondContact NE-OD1 3.34Å; R518-D768 IonicContact NH2-OD1 3.63Å; R518-D768 PolarHBondContact NH2-OD1 2.79Å; R518-D768 IonicContact NH2-OD2 2.7Å; R518-D768 PolarHBondContact NH2-OD2 3.43Å; R518-L771 HydrophobicContact CG-CD1 3.88Å
519C81.4Confident81.8Confident51 Ų5147.9 Ų47.935%0.34524%0.243SC..THydrogen-bonded Turntrans-67.3-21.4172.9-73.30000114.3M515 L517M515-C519 VanDerWaalsContact O-CB 3.28Å; M515-C519 WeakPolarHBondContact O-CB 2.95Å; M515-C519 PolarHBondContact O-N 3.48Å; M515-C519 PolarHBondContact O-SG 2.78Å; L517-C519 VanDerWaalsContact C-N 3.28Å; L517-C519 PolarHBondContact O-N 2.86Å
520N74.2Confident81.9Confident109 Ų10946.3 Ų46.358%0.58323%0.233SC*.THydrogen-bonded Turntrans-87.6-18.9-177.1-85.3-62.6000114E516 L517 R518 R522E516-N520 PolarHBondContact O-ND2 3.45Å; L517-N520 PolarHBondContact O-N 2.74Å; R518-N520 VanDerWaalsContact C-N 3.27Å; R518-N520 PolarHBondContact O-N 3.28Å; N520-R522 WeakPolarHBondContact O-CG 3.36Å; N520-R522 PolarHBondContact O-N 3.38Å
521T70.8Confident81.9Confident108 Ų10844.8 Ų44.866%0.66322%0.224SC*.  trans49.3-13.8173.264.30000119.8R518 I523R518-T521 WeakPolarHBondContact O-CG2 2.96Å; T521-I523 PolarHBondContact O-N 3.17Å
522R74Confident81.7Confident128 Ų12846.2 Ų46.248%0.48323%0.229SC..  trans-78108.7-178.2-65.3170.3-174.4-1712.1110.4N520 T774N520-R522 WeakPolarHBondContact O-CG 3.36Å; N520-R522 PolarHBondContact O-N 3.38Å; R522-T774 WeakPolarHBondContact O-CG2 3.38Å
523I82.3Confident81.7Confident26 Ų2642.2 Ų42.213%0.13321%0.211CC..  trans-95.3149.3168.7-57.2175.6000108.5T521 E525 L528 L770 L771T521-I523 PolarHBondContact O-N 3.17Å; I523-E525 PolarHBondContact O-N 2.93Å; I523-L528 HydrophobicContact CG2-CB 4.08Å; I523-L770 HydrophobicContact CD1-CB 4.27Å; I523-L770 HydrophobicContact CG2-CB 4.06Å; I523-L771 HydrophobicContact CG1-CD2 4.01Å
524D82Confident81.8Confident12 Ų1240.9 Ų40.96%0.06420%0.203CC..  trans-67.9122.1168.8176.9-83.3000109.7L526 L527 L528 T774 L777 R815D524-L526 VanDerWaalsContact C-N 3.3Å; D524-L526 PolarHBondContact O-N 3.1Å; D524-L526 WeakPolarHBondContact OD1-CB 3.35Å; D524-L526 PolarHBondContact OD1-N 2.83Å; D524-L527 HydrophobicContact CB-CB 3.91Å; D524-L527 WeakPolarHBondContact O-CB 2.97Å; D524-L527 PolarHBondContact O-N 3.25Å; D524-L527 WeakPolarHBondContact OD1-CB 3.2Å; D524-L527 PolarHBondContact OD1-N 3.02Å; D524-L528 WeakPolarHBondContact O-CB 3.33Å; D524-L528 PolarHBondContact O-N 3.03Å; D524-T774 HydrophobicContact CB-CG2 4.12Å; D524-T774 PolarHBondContact N-OG1 3.47Å; D524-L777 HydrophobicContact CB-CD2 4.04Å; D524-L777 WeakPolarHBondContact OD2-CD2 3.43Å; D524-R815 IonicContact OD1-CZ 3.86Å; D524-R815 IonicContact OD1-NE 3.84Å; D524-R815 PolarHBondContact OD1-NE 3Å; D524-R815 IonicContact OD1-NH2 2.71Å; D524-R815 IonicContact OD2-CZ 3.95Å; D524-R815 IonicContact OD2-NE 3.19Å; D524-R815 PolarHBondContact OD2-NE 3.45Å; D524-R815 IonicContact OD2-NH2 2.65Å; D524-R815 PolarHBondContact OD2-NH2 3.3Å
525E75.2Confident81.7Confident56 Ų5643 Ų4326%0.26221%0.213SC..Hα-helixtrans-67.8-31-170.1-56.2-66170.500112.4I523 L528 A529 L2009 R2016I523-E525 PolarHBondContact O-N 2.93Å; E525-L528 PolarHBondContact O-N 3.17Å; E525-A529 WeakPolarHBondContact O-CB 3.05Å; E525-A529 PolarHBondContact O-N 3.09Å; E525-L2009 HydrophobicContact CB-CD2 3.63Å; E525-L2009 HydrophobicContact CG-CD2 4.2Å; E525-R2016 IonicContact OE1-CZ 3.63Å; E525-R2016 IonicContact OE1-NH1 2.87Å; E525-R2016 PolarHBondContact OE1-NH1 3.49Å; E525-R2016 IonicContact OE1-NH2 2.71Å; E525-R2016 PolarHBondContact OE1-NH2 3.41Å
526L77.2Confident81.5Confident17 Ų1742.7 Ų42.79%0.08921%0.211CC..Hα-helixtrans-74.7-37.2177.9-67.4170.3000111.2D524 L528 A529 A530 L2009 L2010D524-L526 VanDerWaalsContact C-N 3.3Å; D524-L526 PolarHBondContact O-N 3.1Å; D524-L526 WeakPolarHBondContact OD1-CB 3.35Å; D524-L526 PolarHBondContact OD1-N 2.83Å; L526-L528 VanDerWaalsContact C-N 3.34Å; L526-A529 PolarHBondContact O-N 3.27Å; L526-A530 WeakPolarHBondContact O-CB 3.18Å; L526-A530 PolarHBondContact O-N 3.43Å; L526-L2009 HydrophobicContact CD2-CB 3.95Å; L526-L2009 HydrophobicContact CD2-CD1 4.32Å; L526-L2009 HydrophobicContact CG-CB 4.42Å; L526-L2010 HydrophobicContact CD1-CD2 3.61Å; L526-L2010 HydrophobicContact CD1-CG 4.16Å
527L84.5Confident81.4Confident1 Ų143.3 Ų43.31%0.00521%0.21CC..Hα-helixtrans-64-40.8170.1-17475.8000111D524 A530 S531 L770 A773 R815 I818 L819D524-L527 HydrophobicContact CB-CB 3.91Å; D524-L527 WeakPolarHBondContact O-CB 2.97Å; D524-L527 PolarHBondContact O-N 3.25Å; D524-L527 WeakPolarHBondContact OD1-CB 3.2Å; D524-L527 PolarHBondContact OD1-N 3.02Å; L527-A530 PolarHBondContact O-N 2.77Å; L527-S531 PolarHBondContact O-N 3.37Å; L527-L770 HydrophobicContact CD2-CD2 3.84Å; L527-L770 HydrophobicContact CG-CD2 3.81Å; L527-A773 HydrophobicContact CD2-CB 3.66Å; L527-R815 HydrophobicContact CD1-CB 4.14Å; L527-R815 HydrophobicContact CD1-CG 4.47Å; L527-I818 HydrophobicContact CD1-CB 4.47Å; L527-L819 HydrophobicContact CD1-CD1 4.35Å; L527-L819 HydrophobicContact CD1-CD2 3.95Å; L527-L819 HydrophobicContact CD1-CG 3.78Å; L527-L819 HydrophobicContact CG-CD2 4.42Å
528L84.5Confident81.3Confident35 Ų3544.3 Ų44.318%0.18322%0.219CC..Hα-helixtrans-65.5-39.5175.6-178.261.7000112I523 D524 E525 L526 K532 L770I523-L528 HydrophobicContact CG2-CB 4.08Å; D524-L528 WeakPolarHBondContact O-CB 3.33Å; D524-L528 PolarHBondContact O-N 3.03Å; E525-L528 PolarHBondContact O-N 3.17Å; L526-L528 VanDerWaalsContact C-N 3.34Å; L528-K532 HydrophobicContact CG-CD 4.34Å; L528-K532 WeakPolarHBondContact O-CB 3.2Å; L528-K532 WeakPolarHBondContact O-CD 3.34Å; L528-K532 VanDerWaalsContact O-CG 3.25Å; L528-K532 WeakPolarHBondContact O-CG 3.21Å; L528-K532 PolarHBondContact O-N 3.47Å; L528-K532 VanDerWaalsContact O-N 3.07Å; L528-L770 HydrophobicContact CD1-CD1 4.02Å
529A77.5Confident81.3Confident13 Ų1339.8 Ų39.811%0.10720%0.203CC..Hα-helixtrans-66.2-40.6172.300000112.1E525 L526 K532 L533 S2002E525-A529 WeakPolarHBondContact O-CB 3.05Å; E525-A529 PolarHBondContact O-N 3.09Å; L526-A529 PolarHBondContact O-N 3.27Å; A529-K532 WeakPolarHBondContact O-CB 3.19Å; A529-K532 PolarHBondContact O-N 2.74Å; A529-L533 PolarHBondContact O-N 3.48Å; A529-S2002 WeakPolarHBondContact CB-OG 3.46Å
530A83.3Confident81.5Confident6 Ų643 Ų435%0.0521%0.213CC..Hα-helixtrans-63.8-40.4175.700000112.6L526 L527 L533 F816 L819L526-A530 WeakPolarHBondContact O-CB 3.18Å; L526-A530 PolarHBondContact O-N 3.43Å; L527-A530 PolarHBondContact O-N 2.77Å; A530-L533 PolarHBondContact O-N 3.2Å; A530-F816 HydrophobicContact CB-CD1 4.03Å; A530-F816 HydrophobicContact CB-CD2 4.49Å; A530-F816 HydrophobicContact CB-CE1 3.62Å; A530-F816 HydrophobicContact CB-CE2 4.12Å; A530-F816 HydrophobicContact CB-CG 4.44Å; A530-F816 HydrophobicContact CB-CZ 3.67Å; A530-L819 HydrophobicContact CB-CD1 3.61Å
531S88.3Confident81.8Confident1 Ų142.7 Ų42.71%0.00720%0.204CC..Hα-helixtrans-64.6-42.3172.9-145.70000111L527 L533 L534 H535 E766L527-S531 PolarHBondContact O-N 3.37Å; S531-L533 VanDerWaalsContact C-N 3.31Å; S531-L533 PolarHBondContact O-N 3.4Å; S531-L534 VanDerWaalsContact O-CB 3.3Å; S531-L534 WeakPolarHBondContact O-CB 3.49Å; S531-L534 PolarHBondContact O-N 2.94Å; S531-H535 PolarHBondContact O-CD2 2.83Å; S531-H535 VanDerWaalsContact O-CD2 3.3Å; S531-E766 PolarHBondContact OG-OE1 2.9Å
532K83.3Confident82.4Confident48 Ų4837.5 Ų37.521%0.20917%0.172CC..Hα-helixtrans-61.3-33.7177.7-79.6169.6-171.5171.50113.9L528 A529 L534 H535 T1995L528-K532 HydrophobicContact CG-CD 4.34Å; L528-K532 WeakPolarHBondContact O-CB 3.2Å; L528-K532 WeakPolarHBondContact O-CD 3.34Å; L528-K532 VanDerWaalsContact O-CG 3.25Å; L528-K532 WeakPolarHBondContact O-CG 3.21Å; L528-K532 PolarHBondContact O-N 3.47Å; L528-K532 VanDerWaalsContact O-N 3.07Å; A529-K532 WeakPolarHBondContact O-CB 3.19Å; A529-K532 PolarHBondContact O-N 2.74Å; K532-L534 PolarHBondContact O-N 2.86Å; K532-H535 PolarHBondContact O-N 3.38Å; K532-T1995 HydrophobicContact CB-CG2 3.71Å; K532-T1995 HydrophobicContact CG-CG2 4.05Å
533L84.6Confident83Confident4 Ų432.3 Ų32.32%0.02115%0.153CC..Hα-helixtrans-62.6-26.9173.9-175.961.4000112.6A529 A530 S531 H535 F536 V542 A545 H640 F816 F1999A529-L533 PolarHBondContact O-N 3.48Å; A530-L533 PolarHBondContact O-N 3.2Å; S531-L533 VanDerWaalsContact C-N 3.31Å; S531-L533 PolarHBondContact O-N 3.4Å; L533-H535 PolarHBondContact O-N 2.75Å; L533-F536 HydrophobicContact CD1-CD1 3.86Å; L533-F536 HydrophobicContact CD1-CE1 4.29Å; L533-F536 HydrophobicContact CD1-CG 4.14Å; L533-F536 WeakPolarHBondContact O-CB 3.42Å; L533-F536 PolarHBondContact O-N 3.37Å; L533-V542 HydrophobicContact CD1-CG2 4.11Å; L533-A545 HydrophobicContact CD1-CB 3.88Å; L533-A545 HydrophobicContact CD2-CB 4.09Å; L533-H640 PolarHBondContact O-CE1 2.9Å; L533-F816 HydrophobicContact CD2-CE1 4.16Å; L533-F816 HydrophobicContact CD2-CZ 3.78Å; L533-F1999 HydrophobicContact CB-CD2 4.41Å; L533-F1999 HydrophobicContact CB-CE2 4.14Å; L533-F1999 HydrophobicContact CD1-CD2 4.35Å; L533-F1999 HydrophobicContact CD1-CE1 4.43Å; L533-F1999 HydrophobicContact CD1-CE2 3.9Å; L533-F1999 HydrophobicContact CD1-CZ 3.97Å; L533-F1999 HydrophobicContact CD2-CE2 4.24Å; L533-F1999 HydrophobicContact CD2-CZ 4.45Å; L533-F1999 HydrophobicContact CG-CE2 4.31Å
534L87.4Confident83Confident3 Ų334.6 Ų34.62%0.01617%0.166CC..Hα-helixtrans-69.2-24.6177.9-54.4175.8000112.5S531 K532 L643 R644 M647S531-L534 VanDerWaalsContact O-CB 3.3Å; S531-L534 WeakPolarHBondContact O-CB 3.49Å; S531-L534 PolarHBondContact O-N 2.94Å; K532-L534 PolarHBondContact O-N 2.86Å; L534-L643 HydrophobicContact CD1-CB 4.15Å; L534-L643 HydrophobicContact CD1-CD1 4.3Å; L534-L643 HydrophobicContact CD1-CD2 4.17Å; L534-L643 HydrophobicContact CD1-CG 4.45Å; L534-L643 HydrophobicContact CD2-CB 3.84Å; L534-L643 HydrophobicContact CD2-CD1 3.94Å; L534-L643 HydrophobicContact CD2-CG 4.45Å; L534-R644 HydrophobicContact CB-CG 4.38Å; L534-R644 PolarHBondContact O-NH1 3.09Å; L534-M647 HydrophobicContact CB-CE 4.28Å; L534-M647 HydrophobicContact CB-SD 3.92Å; L534-M647 HydrophobicContact CD1-SD 3.59Å; L534-M647 VanDerWaalsContact CD1-SD 3.59Å; L534-M647 HydrophobicContact CG-SD 4.36Å
535H85.8Confident82.9Confident72 Ų7234.3 Ų34.333%0.33317%0.165SC..THydrogen-bonded Turntrans-90.75.3178.4-59.7-85.6000113.7S531 K532 L533 E766S531-H535 PolarHBondContact O-CD2 2.83Å; S531-H535 VanDerWaalsContact O-CD2 3.3Å; K532-H535 PolarHBondContact O-N 3.38Å; L533-H535 PolarHBondContact O-N 2.75Å; H535-E766 IonicContact CD2-OE1 2.64Å; H535-E766 IonicContact CE1-OE1 3.82Å; H535-E766 IonicContact CE1-OE2 3.2Å; H535-E766 PolarHBondContact CE1-OE2 3.37Å; H535-E766 IonicContact NE2-OE1 3.61Å; H535-E766 PolarHBondContact NE2-OE1 3.1Å; H535-E766 IonicContact NE2-OE2 3.8Å; H535-E766 PolarHBondContact NE2-OE2 2.98Å
536F80.9Confident83.3Confident15 Ų1531.8 Ų31.87%0.06615%0.153CC..  trans-70.5141.8173.5-94.5-150.4000111.6F459 L533 R541 V542 R644 T1995 F1999F459-F536 WeakPolarHBondContact CZ-O 3.22Å; L533-F536 HydrophobicContact CD1-CD1 3.86Å; L533-F536 HydrophobicContact CD1-CE1 4.29Å; L533-F536 HydrophobicContact CD1-CG 4.14Å; L533-F536 WeakPolarHBondContact O-CB 3.42Å; L533-F536 PolarHBondContact O-N 3.37Å; F536-R541 HydrophobicContact CD1-CB 4.23Å; F536-R541 HydrophobicContact CE1-CB 4.33Å; F536-V542 HydrophobicContact CB-CG2 3.65Å; F536-V542 HydrophobicContact CD1-CG2 4.28Å; F536-V542 HydrophobicContact CG-CG2 4.44Å; F536-R644 PolarHBondContact O-NH1 3.11Å; F536-R644 VanDerWaalsContact O-NH1 3.13Å; F536-T1995 HydrophobicContact CD2-CG2 4.16Å; F536-T1995 HydrophobicContact CE2-CG2 3.95Å; F536-F1999 AromaticContact CE1-CD1 3.82Å; F536-F1999 HydrophobicContact CE1-CD1 3.82Å; F536-F1999 HydrophobicContact CE1-CE1 4.39Å; F536-F1999 HydrophobicContact CE1-CG 4.18Å; F536-F1999 HydrophobicContact CE2-CB 3.93Å; F536-F1999 HydrophobicContact CE2-CG 4.26Å; F536-F1999 HydrophobicContact CZ-CB 3.55Å; F536-F1999 AromaticContact CZ-CD1 3.67Å; F536-F1999 HydrophobicContact CZ-CD1 3.67Å; F536-F1999 AromaticContact CZ-CG 3.66Å; F536-F1999 HydrophobicContact CZ-CG 3.66Å
537R81.3Confident83.5Confident84 Ų8435.5 Ų35.532%0.31717%0.166SC..  trans-102.6-1.5-178.6-46.7-173.595.3173.32.9114.8E463 D467 E1992E463-R537 HydrophobicContact CG-CB 4.39Å; E463-R537 WeakPolarHBondContact OE2-CB 3.21Å; E463-R537 WeakPolarHBondContact OE2-CG 3.34Å; E463-R537 IonicContact OE2-CZ 2.94Å; E463-R537 IonicContact OE2-NE 3.83Å; E463-R537 PolarHBondContact OE2-NE 2.79Å; E463-R537 IonicContact OE2-NH2 2.94Å; D467-R537 IonicContact OD1-NH2 3.96Å; D467-R537 PolarHBondContact OD1-NH2 3.42Å; R537-E1992 WeakPolarHBondContact CD-OE1 3.47Å; R537-E1992 IonicContact CZ-OE1 2.69Å; R537-E1992 IonicContact NE-OE1 3.83Å; R537-E1992 IonicContact NH1-OE1 2.87Å; R537-E1992 PolarHBondContact NH1-OE1 3.01Å
538S83.7Confident83Confident37 Ų3738.5 Ų38.526%0.25918%0.18SC..  trans-106.8114.7178.3168.60000109.7R541 V542S538-R541 PolarHBondContact O-N 2.88Å; S538-R541 PolarHBondContact OG-N 2.94Å; S538-V542 WeakPolarHBondContact O-CG2 3.22Å; S538-V542 PolarHBondContact O-N 3.42Å; S538-V542 VanDerWaalsContact O-N 3.1Å
539S85.7Confident82.7Confident10 Ų1038.4 Ų38.47%0.0718%0.178CC..Hα-helixtrans-61.2-44.6177.130.80000111.6N460 V542 Q543N460-S539 PolarHBondContact OD1-OG 2.89Å; S539-V542 PolarHBondContact O-N 2.85Å; S539-Q543 WeakPolarHBondContact O-CG 3.49Å; S539-Q543 PolarHBondContact O-N 3.12Å
540E84.4Confident82.7Confident119 Ų11938.3 Ų38.356%0.55618%0.176SC*.Hα-helixtrans-52.8-56.8175.3-69.2154.7-165.300111.5V542 Q543 D544E540-V542 VanDerWaalsContact C-N 3.27Å; E540-V542 PolarHBondContact O-N 3.34Å; E540-Q543 PolarHBondContact O-N 3.2Å; E540-D544 PolarHBondContact O-N 3.34Å
541R80.4Confident82.2Confident101 Ų10142.1 Ų42.138%0.38119%0.194SC..Hα-helixtrans-60.4-34.6179-70.7-178.3173-169.2-4.8113.2F536 S538 A545F536-R541 HydrophobicContact CD1-CB 4.23Å; F536-R541 HydrophobicContact CE1-CB 4.33Å; S538-R541 PolarHBondContact O-N 2.88Å; S538-R541 PolarHBondContact OG-N 2.94Å; R541-A545 WeakPolarHBondContact O-CB 3.35Å; R541-A545 PolarHBondContact O-N 2.99Å
542V85Confident81.4Confident0 Ų043.1 Ų43.10%020%0.2CC..Hα-helixtrans-67.1-42174.41660000111.2F455 F459 L533 F536 S538 S539 E540 L546 H640F455-V542 HydrophobicContact CZ-CG1 3.92Å; F459-V542 HydrophobicContact CE2-CB 4.27Å; F459-V542 HydrophobicContact CE2-CG1 4.27Å; F459-V542 HydrophobicContact CE2-CG2 3.97Å; F459-V542 HydrophobicContact CZ-CG2 4Å; L533-V542 HydrophobicContact CD1-CG2 4.11Å; F536-V542 HydrophobicContact CB-CG2 3.65Å; F536-V542 HydrophobicContact CD1-CG2 4.28Å; F536-V542 HydrophobicContact CG-CG2 4.44Å; S538-V542 WeakPolarHBondContact O-CG2 3.22Å; S538-V542 PolarHBondContact O-N 3.42Å; S538-V542 VanDerWaalsContact O-N 3.1Å; S539-V542 PolarHBondContact O-N 2.85Å; E540-V542 VanDerWaalsContact C-N 3.27Å; E540-V542 PolarHBondContact O-N 3.34Å; V542-L546 HydrophobicContact CG1-CD1 4.14Å; V542-L546 WeakPolarHBondContact O-CB 3.33Å; V542-L546 VanDerWaalsContact O-CG 3.26Å; V542-L546 WeakPolarHBondContact O-CG 3.46Å; V542-L546 PolarHBondContact O-N 3.16Å; V542-H640 VanDerWaalsContact CG1-CE1 3.45Å; V542-H640 WeakPolarHBondContact CG1-CE1 2.96Å; V542-H640 WeakPolarHBondContact CG1-NE2 3.39Å
543Q85.6Confident80.7Confident19 Ų1942.7 Ų42.79%0.08920%0.2CC..Hα-helixtrans-67.7-39.9176.1-64.6-169.7-10.900112.3N452 F455 S539 E540 L546 R547 H637N452-Q543 PolarHBondContact OD1-NE2 2.75Å; N452-Q543 PolarHBondContact OD1-OE1 3.44Å; F455-Q543 HydrophobicContact CD1-CG 3.95Å; F455-Q543 HydrophobicContact CE1-CG 3.7Å; F455-Q543 HydrophobicContact CZ-CG 4.36Å; S539-Q543 WeakPolarHBondContact O-CG 3.49Å; S539-Q543 PolarHBondContact O-N 3.12Å; E540-Q543 PolarHBondContact O-N 3.2Å; Q543-L546 PolarHBondContact O-N 3.08Å; Q543-R547 WeakPolarHBondContact O-CB 3.15Å; Q543-R547 WeakPolarHBondContact O-CG 3.27Å; Q543-R547 PolarHBondContact O-N 3.29Å; Q543-H637 WeakPolarHBondContact CG-NE2 3.31Å
544D81.5Confident79.8Confident74 Ų7444.4 Ų44.440%0.39621%0.208SC..Hα-helixtrans-62.7-46.6176.4-61.7-24.6000110.3E540 L546 R547 H548E540-D544 PolarHBondContact O-N 3.34Å; D544-L546 PolarHBondContact O-N 2.55Å; D544-R547 PolarHBondContact O-N 3.11Å; D544-R547 IonicContact OD1-CZ 2.76Å; D544-R547 IonicContact OD1-NH1 3.67Å; D544-R547 PolarHBondContact OD1-NH1 2.87Å; D544-R547 IonicContact OD1-NH2 3.72Å; D544-R547 PolarHBondContact OD1-NH2 3.44Å; D544-H548 WeakPolarHBondContact O-CB 3.28Å; D544-H548 PolarHBondContact O-N 2.75Å
545A80.1Confident78.7Confident5 Ų549.7 Ų49.74%0.04123%0.232CC..Hα-helixtrans-57.3-43172.500000112.9L533 R541 H548 H549 F1999L533-A545 HydrophobicContact CD1-CB 3.88Å; L533-A545 HydrophobicContact CD2-CB 4.09Å; R541-A545 WeakPolarHBondContact O-CB 3.35Å; R541-A545 PolarHBondContact O-N 2.99Å; A545-H548 PolarHBondContact O-N 3.32Å; A545-H549 WeakPolarHBondContact O-CB 3.36Å; A545-H549 PolarHBondContact O-N 2.92Å; A545-F1999 HydrophobicContact CB-CE1 3.78Å; A545-F1999 HydrophobicContact CB-CZ 3.5Å; A545-F1999 VanDerWaalsContact CB-CZ 3.5Å
546L83.9Confident77.7Confident4 Ų448.6 Ų48.62%0.02123%0.231CC..Hα-helixtrans-68.9-38.7177-71.7174.4000112.2V542 Q543 D544 H549 V550 L636 H640V542-L546 HydrophobicContact CG1-CD1 4.14Å; V542-L546 WeakPolarHBondContact O-CB 3.33Å; V542-L546 VanDerWaalsContact O-CG 3.26Å; V542-L546 WeakPolarHBondContact O-CG 3.46Å; V542-L546 PolarHBondContact O-N 3.16Å; Q543-L546 PolarHBondContact O-N 3.08Å; D544-L546 PolarHBondContact O-N 2.55Å; L546-H549 PolarHBondContact O-N 3.34Å; L546-V550 WeakPolarHBondContact O-CG2 3.14Å; L546-V550 PolarHBondContact O-N 3.38Å; L546-V550 VanDerWaalsContact O-N 3.07Å; L546-L636 HydrophobicContact CD2-CB 4.43Å; L546-H640 HydrophobicContact CD1-CB 4.07Å
547R82.2Confident76.7Confident94 Ų9450 Ų5036%0.35524%0.242SC..Hα-helixtrans-65.4-41.9173.9-75.3-176.9-105.7110.30111.3Q543 D544 V550 M551 L633Q543-R547 WeakPolarHBondContact O-CB 3.15Å; Q543-R547 WeakPolarHBondContact O-CG 3.27Å; Q543-R547 PolarHBondContact O-N 3.29Å; D544-R547 PolarHBondContact O-N 3.11Å; D544-R547 IonicContact OD1-CZ 2.76Å; D544-R547 IonicContact OD1-NH1 3.67Å; D544-R547 PolarHBondContact OD1-NH1 2.87Å; D544-R547 IonicContact OD1-NH2 3.72Å; D544-R547 PolarHBondContact OD1-NH2 3.44Å; R547-V550 PolarHBondContact O-N 3.03Å; R547-M551 PolarHBondContact O-N 3.33Å; R547-M551 VanDerWaalsContact O-N 3.1Å; R547-L633 HydrophobicContact CG-CD1 3.93Å; R547-L633 HydrophobicContact CG-CD2 4.07Å
548H73.9Confident75.6Confident65 Ų6555.7 Ų55.730%0.30127%0.269SS..Hα-helixtrans-63.5-39.8172.8-174.7-125.2000111.8D544 A545 V550 M551 V552 E2003D544-H548 WeakPolarHBondContact O-CB 3.28Å; D544-H548 PolarHBondContact O-N 2.75Å; A545-H548 PolarHBondContact O-N 3.32Å; H548-V550 PolarHBondContact O-N 3.29Å; H548-M551 WeakPolarHBondContact O-CB 3.3Å; H548-M551 PolarHBondContact O-N 2.84Å; H548-V552 WeakPolarHBondContact O-CG2 3.28Å; H548-V552 PolarHBondContact O-N 3.25Å; H548-E2003 IonicContact ND1-OE1 2.7Å; H548-E2003 PolarHBondContact ND1-OE1 3.12Å
549H77.2Confident74.1Confident33 Ų3355.9 Ų55.915%0.15327%0.267CS..Hα-helixtrans-60.7-44.8175.5-169.542.9000112.3Y411 A545 L546 M551 V552 I553 F816Y411-H549 AromaticContact CE1-NE2 3.8Å; Y411-H549 AromaticContact CZ-CE1 3.92Å; Y411-H549 AromaticContact CZ-NE2 3.78Å; Y411-H549 PolarHBondContact OH-CE1 2.9Å; Y411-H549 PolarHBondContact OH-NE2 2.78Å; A545-H549 WeakPolarHBondContact O-CB 3.36Å; A545-H549 PolarHBondContact O-N 2.92Å; L546-H549 PolarHBondContact O-N 3.34Å; H549-M551 VanDerWaalsContact C-N 3.34Å; H549-M551 PolarHBondContact O-N 2.84Å; H549-V552 PolarHBondContact O-N 3.41Å; H549-I553 WeakPolarHBondContact O-CD1 3.25Å; H549-I553 VanDerWaalsContact O-CG1 3.24Å; H549-I553 WeakPolarHBondContact O-CG1 3.2Å; H549-I553 PolarHBondContact O-N 2.9Å; H549-F816 AromaticContact CD2-CD2 3.75Å; H549-F816 AromaticContact CD2-CE2 3.6Å; H549-F816 AromaticContact NE2-CD2 3.38Å; H549-F816 WeakPolarHBondContact NE2-CD2 3.48Å; H549-F816 AromaticContact NE2-CE2 3.48Å; H549-F816 WeakPolarHBondContact NE2-CE2 3.32Å
550V78.4Confident72.4Confident11 Ų1162 Ų627%0.06729%0.294CS..Hα-helixtrans-59.3-44.7173.3175.20000111.3L546 R547 H548 V552 I553 Q554 F632 L633 L636L546-V550 WeakPolarHBondContact O-CG2 3.14Å; L546-V550 PolarHBondContact O-N 3.38Å; L546-V550 VanDerWaalsContact O-N 3.07Å; R547-V550 PolarHBondContact O-N 3.03Å; H548-V550 PolarHBondContact O-N 3.29Å; V550-V552 VanDerWaalsContact C-N 3.35Å; V550-V552 PolarHBondContact O-N 3.38Å; V550-I553 PolarHBondContact O-N 3.34Å; V550-Q554 HydrophobicContact CG1-CG 4.34Å; V550-Q554 WeakPolarHBondContact O-CG 3.31Å; V550-Q554 PolarHBondContact O-N 3.14Å; V550-F632 HydrophobicContact CG1-CD1 4.32Å; V550-F632 HydrophobicContact CG1-CE1 4.46Å; V550-F632 HydrophobicContact CG2-CD1 4.02Å; V550-F632 HydrophobicContact CG2-CE1 3.9Å; V550-L633 HydrophobicContact CG2-CD1 3.92Å; V550-L636 HydrophobicContact CG2-CD1 3.35Å
551M73Confident70.6Confident85 Ų8559.3 Ų59.342%0.41929%0.286SS..Hα-helixtrans-58.8-44.9178-169.5-170.479.500111.8R547 H548 H549 Q554 H555R547-M551 PolarHBondContact O-N 3.33Å; R547-M551 VanDerWaalsContact O-N 3.1Å; H548-M551 WeakPolarHBondContact O-CB 3.3Å; H548-M551 PolarHBondContact O-N 2.84Å; H549-M551 VanDerWaalsContact C-N 3.34Å; H549-M551 PolarHBondContact O-N 2.84Å; M551-Q554 PolarHBondContact O-N 3.48Å; M551-H555 WeakPolarHBondContact O-CA 3.4Å; M551-H555 WeakPolarHBondContact O-CB 3.29Å; M551-H555 PolarHBondContact O-N 3.13Å
552V70.3Confident69Low23 Ų2356.8 Ų56.814%0.13929%0.287CS..Hα-helixtrans-69.8-32178.8172.70000112.6H548 H549 V550 H555 P556H548-V552 WeakPolarHBondContact O-CG2 3.28Å; H548-V552 PolarHBondContact O-N 3.25Å; H549-V552 PolarHBondContact O-N 3.41Å; V550-V552 VanDerWaalsContact C-N 3.35Å; V550-V552 PolarHBondContact O-N 3.38Å; V552-H555 CarbonylContact O-C 3.56Å; V552-P556 WeakPolarHBondContact O-CA 3.37Å
553I68.9Low66.8Low38 Ų3860.1 Ų60.120%0.19531%0.31CS..Hα-helixtrans-69.7-46.1173.8-65.8156.9000110.9Y411 H549 V550 F632Y411-I553 HydrophobicContact CD1-CD1 3.61Å; Y411-I553 HydrophobicContact CD1-CG1 4.21Å; Y411-I553 HydrophobicContact CD1-CG2 4.34Å; Y411-I553 HydrophobicContact CD2-CG1 4.4Å; Y411-I553 HydrophobicContact CD2-CG2 4.33Å; Y411-I553 HydrophobicContact CE1-CD1 3.35Å; Y411-I553 HydrophobicContact CE1-CG1 4.02Å; Y411-I553 HydrophobicContact CE2-CD1 4.45Å; Y411-I553 HydrophobicContact CE2-CG1 4.23Å; Y411-I553 HydrophobicContact CG-CD1 4.26Å; Y411-I553 HydrophobicContact CG-CG1 4.39Å; Y411-I553 HydrophobicContact CG-CG2 4.01Å; H549-I553 WeakPolarHBondContact O-CD1 3.25Å; H549-I553 VanDerWaalsContact O-CG1 3.24Å; H549-I553 WeakPolarHBondContact O-CG1 3.2Å; H549-I553 PolarHBondContact O-N 2.9Å; V550-I553 PolarHBondContact O-N 3.34Å; I553-F632 HydrophobicContact CD1-CE1 4.43Å; I553-F632 HydrophobicContact CD1-CZ 4.39Å
554Q65.8Low64.8Low40 Ų4065.4 Ų65.419%0.18734%0.344CS..Hα-helixtrans-66.6-46178.1-71-175.9-0.500112.1V550 M551 P556 S625V550-Q554 HydrophobicContact CG1-CG 4.34Å; V550-Q554 WeakPolarHBondContact O-CG 3.31Å; V550-Q554 PolarHBondContact O-N 3.14Å; M551-Q554 PolarHBondContact O-N 3.48Å; Q554-P556 VanDerWaalsContact O-CD 3.25Å; Q554-P556 WeakPolarHBondContact O-CD 3.2Å; Q554-S625 PolarHBondContact NE2-O 3.48Å; Q554-S625 VanDerWaalsContact NE2-O 3.12Å; Q554-S625 VanDerWaalsContact OE1-CB 3.3Å; Q554-S625 PolarHBondContact OE1-OG 2.79Å
555H65.1Low62.7Low115 Ų11567.5 Ų67.553%0.53236%0.358SS..SBendtrans-121.268.8-172.6-61.692.8000109.4M551 V552 S625M551-H555 WeakPolarHBondContact O-CA 3.4Å; M551-H555 WeakPolarHBondContact O-CB 3.29Å; M551-H555 PolarHBondContact O-N 3.13Å; V552-H555 CarbonylContact O-C 3.56Å; H555-S625 PolarHBondContact CE1-OG 3.06Å
556P63.9Low60.7Low49 Ų4971.1 Ų71.132%0.31838%0.384SS..  trans-59.3125.2-179.724.5-33.6000109V552 Q554 K558V552-P556 WeakPolarHBondContact O-CA 3.37Å; Q554-P556 VanDerWaalsContact O-CD 3.25Å; Q554-P556 WeakPolarHBondContact O-CD 3.2Å; P556-K558 PolarHBondContact O-N 3.31Å
557P60.9Low58.4Low45 Ų4579.1 Ų79.129%0.29242%0.42SS..  trans-55.2142.7179.320.6-31.9000110.2I559 D2007P557-I559 VanDerWaalsContact C-N 3.28Å; P557-I559 PolarHBondContact O-N 2.98Å; P557-D2007 WeakPolarHBondContact CG-OD1 3.24Å
558K58.1Low56.3Low203 Ų20383.7 Ų83.788%0.88344%0.443SS*.  trans-7388.5175.9-75.9-171.6176-176.80108.9P556 Q560P556-K558 PolarHBondContact O-N 3.31Å; K558-Q560 VanDerWaalsContact C-N 3.29Å; K558-Q560 PolarHBondContact O-N 2.9Å
559I52.8Low54.8Low41 Ų4186.3 Ų86.321%0.2146%0.459CS..  trans-61.992172.8-46.1172.8000108.3P557 I805 D2007 L2010P557-I559 VanDerWaalsContact C-N 3.28Å; P557-I559 PolarHBondContact O-N 2.98Å; I559-I805 HydrophobicContact CD1-CG2 3.76Å; I559-I805 HydrophobicContact CG2-CD1 3.76Å; I559-I805 HydrophobicContact CG2-CG2 4.29Å; I559-D2007 HydrophobicContact CG1-CB 4.36Å; I559-L2010 HydrophobicContact CD1-CB 3.78Å; I559-L2010 HydrophobicContact CD1-CD1 3.69Å; I559-L2010 HydrophobicContact CD1-CG 4.38Å
560Q48.8Very low53.2Low138 Ų13888.8 Ų88.865%0.64549%0.494SS*.  trans-65.7130.7156.5-64.9178.9-59.100106.2K558 A562K558-Q560 VanDerWaalsContact C-N 3.29Å; K558-Q560 PolarHBondContact O-N 2.9Å; Q560-A562 PolarHBondContact O-N 2.92Å
561T46.6Very low51.5Low62 Ų6295.2 Ų95.238%0.3852%0.523SS..  trans-53.9114.4176.253.70000109S563 I805T561-S563 VanDerWaalsContact C-N 3.26Å; T561-S563 PolarHBondContact O-N 2.82Å; T561-I805 HydrophobicContact CG2-CD1 3.9Å
562A47.1Very low50.2Low48 Ų4894.6 Ų94.640%0.39752%0.522SS..  trans-79.885-173.700000107.7Q560 V564 L2008 E2011Q560-A562 PolarHBondContact O-N 2.92Å; A562-V564 WeakPolarHBondContact O-CG2 3.21Å; A562-V564 PolarHBondContact O-N 2.7Å; A562-L2008 HydrophobicContact CB-CD2 4.41Å; A562-E2011 WeakPolarHBondContact CB-OE2 3.45Å; A562-E2011 PolarHBondContact N-OE1 3.18Å
563S39.6Very low49Very low70 Ų7097.7 Ų97.749%0.4954%0.541SS..  trans-40.9105.4178.3171.30000110.5T561 V565T561-S563 VanDerWaalsContact C-N 3.26Å; T561-S563 PolarHBondContact O-N 2.82Å; S563-V565 CarbonylContact C-O 3.41Å; S563-V565 CarbonylContact O-C 3.52Å; S563-V565 PolarHBondContact O-N 2.83Å; S563-V565 VanDerWaalsContact O-N 3.11Å; S563-V565 PolarHBondContact OG-O 2.75Å
564V43.3Very low48.5Very low131 Ų13199.7 Ų99.779%0.79456%0.555SS**SBendtrans-67.7-11.6178.8-173.50000110.6A562 S566A562-V564 WeakPolarHBondContact O-CG2 3.21Å; A562-V564 PolarHBondContact O-N 2.7Å; V564-S566 PolarHBondContact O-N 3.14Å
565V36.4Very low47.9Very low117 Ų117103.3 Ų103.371%0.70957%0.571SS**SBendtrans-71.699.8151.2-169.60000108S563S563-V565 CarbonylContact C-O 3.41Å; S563-V565 CarbonylContact O-C 3.52Å; S563-V565 PolarHBondContact O-N 2.83Å; S563-V565 VanDerWaalsContact O-N 3.11Å; S563-V565 PolarHBondContact OG-O 2.75Å
566S39.5Very low47Very low82 Ų8299.5 Ų99.557%0.57356%0.555SS**SBendtrans-43.8139.3-178.257.40000113.6V564V564-S566 PolarHBondContact O-N 3.14Å
567H34.7Very low46.3Very low171 Ų171103.1 Ų103.179%0.79257%0.566SS**  trans81.889.7-179.5-42.9-66.5000116.2
568K39.1Very low45.8Very low190 Ų190106.9 Ų106.983%0.82658%0.578SS**  -147.6155113.2-100.5150.9-172.6-179.50110.4
569D41.2Very low45.3Very low120 Ų120103.6 Ų103.664%0.64256%0.563SS**SBendtrans57.286167.6-56.2-9.6000119.1Q571D569-Q571 PolarHBondContact O-N 3.11Å; D569-Q571 VanDerWaalsContact O-N 3.08Å
570G44.8Very low45Very low86 Ų86102.7 Ų102.789%0.88756%0.559SS**SBendtrans95.4-54.2130.800000117.4N572G570-N572 PolarHBondContact O-N 2.89Å
571Q41.5Very low44.8Very low146 Ų146102.5 Ų102.568%0.68255%0.553SS**  trans-77.8111.3-174.1-63-158.921.800111.9D569 T573 I576D569-Q571 PolarHBondContact O-N 3.11Å; D569-Q571 VanDerWaalsContact O-N 3.08Å; Q571-T573 PolarHBondContact O-N 2.9Å; Q571-T573 VanDerWaalsContact O-N 3.11Å; Q571-I576 HydrophobicContact CB-CD1 4.18Å
572N47Very low44.7Very low71 Ų71103.7 Ų103.738%0.3856%0.56SS.*  trans-67.5107.2177.1-179.95.8000109.9G570 V574 E575 I576G570-N572 PolarHBondContact O-N 2.89Å; N572-V574 PolarHBondContact O-N 3.43Å; N572-V574 VanDerWaalsContact O-N 3.12Å; N572-V574 WeakPolarHBondContact OD1-CB 3.43Å; N572-V574 PolarHBondContact OD1-N 3.47Å; N572-E575 HydrophobicContact CB-CB 4.15Å; N572-E575 HydrophobicContact CB-CG 4.28Å; N572-E575 PolarHBondContact ND2-OE1 3.13Å; N572-E575 WeakPolarHBondContact O-CA 3.35Å; N572-E575 WeakPolarHBondContact O-CB 3.47Å; N572-E575 PolarHBondContact O-N 3.24Å; N572-I576 PolarHBondContact O-N 3.27Å; N572-I576 VanDerWaalsContact O-N 3.09Å
573T44.5Very low44.3Very low88 Ų88102.7 Ų102.754%0.5455%0.548SS..Hα-helixtrans-57.8-28.517846.50000112.4Q571 E575 I576 F577Q571-T573 PolarHBondContact O-N 2.9Å; Q571-T573 VanDerWaalsContact O-N 3.11Å; T573-E575 VanDerWaalsContact C-N 3.28Å; T573-E575 PolarHBondContact O-N 3.19Å; T573-I576 PolarHBondContact O-N 2.72Å; T573-F577 WeakPolarHBondContact O-CB 3.39Å; T573-F577 WeakPolarHBondContact O-CD2 3.36Å; T573-F577 PolarHBondContact O-N 2.84Å
574V58.3Low44.6Very low81 Ų81103.9 Ų103.949%0.49155%0.554SS.*Hα-helixtrans-66.7-29.7173.8-174.70000111.8N572 K578N572-V574 PolarHBondContact O-N 3.43Å; N572-V574 VanDerWaalsContact O-N 3.12Å; N572-V574 WeakPolarHBondContact OD1-CB 3.43Å; N572-V574 PolarHBondContact OD1-N 3.47Å; V574-K578 HydrophobicContact CG1-CD 4.43Å; V574-K578 VanDerWaalsContact O-CB 3.26Å; V574-K578 WeakPolarHBondContact O-CB 3.3Å; V574-K578 WeakPolarHBondContact O-CG 3.28Å; V574-K578 PolarHBondContact O-N 3.23Å
575E51.9Low44.8Very low115 Ų115103.2 Ų103.254%0.53754%0.542SS..Hα-helixtrans-78.3-35.6172.6-79.1165.6-141.100112.5N572 T573 K578 K579N572-E575 HydrophobicContact CB-CB 4.15Å; N572-E575 HydrophobicContact CB-CG 4.28Å; N572-E575 PolarHBondContact ND2-OE1 3.13Å; N572-E575 WeakPolarHBondContact O-CA 3.35Å; N572-E575 WeakPolarHBondContact O-CB 3.47Å; N572-E575 PolarHBondContact O-N 3.24Å; T573-E575 VanDerWaalsContact C-N 3.28Å; T573-E575 PolarHBondContact O-N 3.19Å; E575-K578 PolarHBondContact O-N 3.23Å; E575-K579 WeakPolarHBondContact O-CB 3.21Å; E575-K579 WeakPolarHBondContact O-CG 3.45Å; E575-K579 PolarHBondContact O-N 3.21Å
576I46.6Very low44.9Very low36 Ų3699.1 Ų99.119%0.18552%0.516CS..Hα-helixtrans-62.2-52.5170.5-57.8175.7000109.6Q571 N572 T573 K578 K579 I580Q571-I576 HydrophobicContact CB-CD1 4.18Å; N572-I576 PolarHBondContact O-N 3.27Å; N572-I576 VanDerWaalsContact O-N 3.09Å; T573-I576 PolarHBondContact O-N 2.72Å; I576-K578 VanDerWaalsContact C-N 3.27Å; I576-K578 PolarHBondContact O-N 3.12Å; I576-K579 PolarHBondContact O-N 3.26Å; I576-K579 VanDerWaalsContact O-N 3.09Å; I576-I580 HydrophobicContact CG2-CD1 3.73Å; I576-I580 HydrophobicContact CG2-CG1 4.37Å; I576-I580 WeakPolarHBondContact O-CB 3.26Å; I576-I580 WeakPolarHBondContact O-CG1 3.38Å; I576-I580 PolarHBondContact O-N 3.2Å
577F49.6Very low45.1Very low124 Ų124102.7 Ų102.754%0.54452%0.518SS..Hα-helixtrans-59.2-35.1175.5-83.1-71.2000112.3T573 Y581T573-F577 WeakPolarHBondContact O-CB 3.39Å; T573-F577 WeakPolarHBondContact O-CD2 3.36Å; T573-F577 PolarHBondContact O-N 2.84Å; F577-Y581 AromaticContact CD1-CD2 3.83Å; F577-Y581 HydrophobicContact CD1-CD2 3.83Å; F577-Y581 AromaticContact CD1-CE2 3.62Å; F577-Y581 HydrophobicContact CD1-CE2 3.62Å; F577-Y581 AromaticContact CE1-CE2 3.98Å; F577-Y581 HydrophobicContact CE1-CE2 3.98Å; F577-Y581 WeakPolarHBondContact O-CB 3.47Å; F577-Y581 WeakPolarHBondContact O-CD2 3.21Å; F577-Y581 PolarHBondContact O-N 3.2Å
578K50.7Low45.2Very low125 Ų12598.2 Ų98.254%0.54351%0.506SS..Hα-helixtrans-70-39.1172.1-81.7175.4176.4-177.40113.5V574 E575 I576 I580 T582 N583V574-K578 HydrophobicContact CG1-CD 4.43Å; V574-K578 VanDerWaalsContact O-CB 3.26Å; V574-K578 WeakPolarHBondContact O-CB 3.3Å; V574-K578 WeakPolarHBondContact O-CG 3.28Å; V574-K578 PolarHBondContact O-N 3.23Å; E575-K578 PolarHBondContact O-N 3.23Å; I576-K578 VanDerWaalsContact C-N 3.27Å; I576-K578 PolarHBondContact O-N 3.12Å; K578-I580 VanDerWaalsContact C-N 3.31Å; K578-T582 VanDerWaalsContact CA-OG1 3.27Å; K578-T582 WeakPolarHBondContact CA-OG1 3.46Å; K578-T582 WeakPolarHBondContact CB-OG1 3.43Å; K578-T582 CarbonylContact O-C 3.59Å; K578-T582 VanDerWaalsContact O-C 3.23Å; K578-T582 WeakPolarHBondContact O-CA 3.41Å; K578-T582 WeakPolarHBondContact O-CB 3.39Å; K578-T582 PolarHBondContact O-N 3.16Å; K578-T582 PolarHBondContact O-OG1 3.38Å; K578-N583 PolarHBondContact O-N 2.85Å
579K48.5Very low44.9Very low134 Ų13496.6 Ų96.658%0.58351%0.507SS*.Hα-helixtrans-69.3-30.1174.8-75.3-174.9174.1-176.60112.3E575 I576 N583E575-K579 WeakPolarHBondContact O-CB 3.21Å; E575-K579 WeakPolarHBondContact O-CG 3.45Å; E575-K579 PolarHBondContact O-N 3.21Å; I576-K579 PolarHBondContact O-N 3.26Å; I576-K579 VanDerWaalsContact O-N 3.09Å; K579-N583 WeakPolarHBondContact O-CB 3.35Å
580I44.8Very low44.5Very low22 Ų2295.7 Ų95.711%0.11351%0.51CS..Hα-helixtrans-76.3-50.2175.6-67.9173.7000111.6I576 K578 M2001 V2005I576-I580 HydrophobicContact CG2-CD1 3.73Å; I576-I580 HydrophobicContact CG2-CG1 4.37Å; I576-I580 WeakPolarHBondContact O-CB 3.26Å; I576-I580 WeakPolarHBondContact O-CG1 3.38Å; I576-I580 PolarHBondContact O-N 3.2Å; K578-I580 VanDerWaalsContact C-N 3.31Å; I580-M2001 HydrophobicContact CD1-CG 4.41Å; I580-M2001 HydrophobicContact CG1-CG 4.37Å; I580-M2001 HydrophobicContact CG2-CE 3.35Å; I580-M2001 HydrophobicContact CG2-CG 3.99Å; I580-V2005 HydrophobicContact CD1-CG2 4.02Å
581Y45.5Very low43.8Very low134 Ų134100 Ų10053%0.52551%0.51SS..Hα-helixtrans-103.8-10.3-169.4-67.4-82000115.2F577F577-Y581 AromaticContact CD1-CD2 3.83Å; F577-Y581 HydrophobicContact CD1-CD2 3.83Å; F577-Y581 AromaticContact CD1-CE2 3.62Å; F577-Y581 HydrophobicContact CD1-CE2 3.62Å; F577-Y581 AromaticContact CE1-CE2 3.98Å; F577-Y581 HydrophobicContact CE1-CE2 3.98Å; F577-Y581 WeakPolarHBondContact O-CB 3.47Å; F577-Y581 WeakPolarHBondContact O-CD2 3.21Å; F577-Y581 PolarHBondContact O-N 3.2Å
582T43.7Very low43.3Very low86 Ų8696.6 Ų96.653%0.52852%0.515SS..  trans-131.924.6178.758.90000113.5K578 P584K578-T582 VanDerWaalsContact CA-OG1 3.27Å; K578-T582 WeakPolarHBondContact CA-OG1 3.46Å; K578-T582 WeakPolarHBondContact CB-OG1 3.43Å; K578-T582 CarbonylContact O-C 3.59Å; K578-T582 VanDerWaalsContact O-C 3.23Å; K578-T582 WeakPolarHBondContact O-CA 3.41Å; K578-T582 WeakPolarHBondContact O-CB 3.39Å; K578-T582 PolarHBondContact O-N 3.16Å; K578-T582 PolarHBondContact O-OG1 3.38Å; T582-P584 WeakPolarHBondContact O-CD 3.29Å
583N39.3Very low42.4Very low27 Ų2798.6 Ų98.614%0.14454%0.535CS..  trans-61.5115.5165.8-1775.3000109K578 K579 E585 L586 Q2000K578-N583 PolarHBondContact O-N 2.85Å; K579-N583 WeakPolarHBondContact O-CB 3.35Å; N583-E585 PolarHBondContact O-N 3.29Å; N583-E585 PolarHBondContact OD1-N 2.98Å; N583-L586 HydrophobicContact CB-CD1 4.1Å; N583-L586 HydrophobicContact CB-CG 4.26Å; N583-L586 PolarHBondContact O-N 3.02Å; N583-Q2000 PolarHBondContact ND2-OE1 3.17Å
584P46.4Very low41.7Very low95 Ų95100.2 Ų100.262%0.61754%0.544SS*.G310 helixtrans-62-28.3-176.6-23.135.5000113T582 L586 Y587 S588T582-P584 WeakPolarHBondContact O-CD 3.29Å; P584-L586 PolarHBondContact O-N 3.28Å; P584-Y587 CarbonylContact O-C 3.57Å; P584-Y587 PolarHBondContact O-N 3.22Å; P584-S588 WeakPolarHBondContact O-CB 3.26Å; P584-S588 PolarHBondContact O-N 2.86Å
585E47.5Very low40.2Very low117 Ų117105.1 Ų105.155%0.54756%0.562SS.*G310 helixtrans-63.4-21.8-179.5-59.8177.9170.300114N583 Y587N583-E585 PolarHBondContact O-N 3.29Å; N583-E585 PolarHBondContact OD1-N 2.98Å; E585-Y587 VanDerWaalsContact C-N 3.27Å
586L38.3Very low39Very low32 Ų32105.1 Ų105.117%0.16857%0.574CS.*G310 helixtrans-74.9-18.8174.3-67.9172.6000112.4N583 P584 T1996 V1997N583-L586 HydrophobicContact CB-CD1 4.1Å; N583-L586 HydrophobicContact CB-CG 4.26Å; N583-L586 PolarHBondContact O-N 3.02Å; P584-L586 PolarHBondContact O-N 3.28Å; L586-T1996 HydrophobicContact CD2-CG2 3.8Å; L586-V1997 HydrophobicContact CD1-CG2 3.97Å; L586-V1997 HydrophobicContact CD2-CG2 4.07Å
587Y42.4Very low38.2Very low157 Ų157106.6 Ų106.662%0.61660%0.599SS**THydrogen-bonded Turntrans-126.7-8.3-171.5-59.7-69.3000114P584 E585 N589P584-Y587 CarbonylContact O-C 3.57Å; P584-Y587 PolarHBondContact O-N 3.22Å; E585-Y587 VanDerWaalsContact C-N 3.27Å; Y587-N589 VanDerWaalsContact C-N 3.27Å; Y587-N589 PolarHBondContact O-N 3.45Å
588S38.4Very low37.2Very low77 Ų77111 Ų11154%0.53862%0.618SS.*  trans-70.7-16.3-174.658.50000114.7P584 S590P584-S588 WeakPolarHBondContact O-CB 3.26Å; P584-S588 PolarHBondContact O-N 2.86Å; S588-S590 PolarHBondContact O-N 2.85Å
589N32.9Very low36.1Very low155 Ų155110 Ų11083%0.82963%0.627SS**  trans-77.150.2174.4-73.7-17.7000112.1Y587Y587-N589 VanDerWaalsContact C-N 3.27Å; Y587-N589 PolarHBondContact O-N 3.45Å
590S32.2Very low35.2Very low102 Ų102112.1 Ų112.171%0.71364%0.636SS**  trans-71128.8173.6-174.30000110.3S588 G592S588-S590 PolarHBondContact O-N 2.85Å; S590-G592 PolarHBondContact O-N 2.95Å
591I30.8Very low34.6Very low175 Ų175115.7 Ų115.790%0.89766%0.663SS**SBendtrans-60.9125.5-179-64159.2000110.2
592G30.3Very low34.1Very low76 Ų76115.6 Ų115.678%0.78467%0.671SS**  trans105.558.9163.800000117S590S590-G592 PolarHBondContact O-N 2.95Å
593S28.4Very low33.7Very low113 Ų113118.5 Ų118.579%0.7968%0.684SS**  trans-122.1117.1152.3-165.30000109.6
594V28.9Very low33.5Very low121 Ų121125.1 Ų125.173%0.73371%0.708SS**  trans-90.5138.8179.1176.70000109
595E28.2Very low33.4Very low185 Ų185124.6 Ų124.686%0.86470%0.699SS**  trans44.791163.9-67.9174.9-17400118
596S26.6Very low33.2Very low114 Ų114125.2 Ų125.280%0.79770%0.701SS**  trans-148.6147.1143.462.10000111.9
597G29.1Very low33.5Very low68 Ų68125.7 Ų125.770%0.70171%0.709SS**  trans58.280.8159.200000118.7S599G597-S599 PolarHBondContact O-N 2.88Å
598K28.4Very low33.9Very low217 Ų217124.6 Ų124.694%0.94371%0.71SS**  trans-71.978.3149.1-78.9-173.4175.9-1790109.3K600K598-K600 PolarHBondContact O-N 3.19Å; K598-K600 VanDerWaalsContact O-N 3.14Å
599S27.1Very low34.3Very low104 Ų104122.6 Ų122.673%0.72769%0.694SS**  trans-67.8105.6171.451.10000109.5G597 S601G597-S599 PolarHBondContact O-N 2.88Å; S599-S601 PolarHBondContact O-N 3.15Å; S599-S601 VanDerWaalsContact O-N 3.11Å
600K30.6Very low34.9Very low178 Ų178117 Ų11777%0.77466%0.664SS**  trans-71.497.7167.2-71.8-173.7168.6-157.40109.3K598 D602K598-K600 PolarHBondContact O-N 3.19Å; K598-K600 VanDerWaalsContact O-N 3.14Å; K600-D602 PolarHBondContact O-N 3.2Å
601S32.3Very low35.8Very low97 Ų97118.9 Ų118.968%0.67866%0.655SS**  trans-88.665.9162.657.50000109.4S599 D603S599-S601 PolarHBondContact O-N 3.15Å; S599-S601 VanDerWaalsContact O-N 3.11Å; S601-D603 PolarHBondContact O-N 3.05Å
602D35.4Very low36.6Very low132 Ų132114.6 Ų114.671%0.70663%0.633SS**  trans-8132.5164.4-67.9-49.4000109.9K600 Y604K600-D602 PolarHBondContact O-N 3.2Å; D602-Y604 PolarHBondContact O-N 2.77Å; D602-Y604 VanDerWaalsContact O-N 3.08Å
603D34.4Very low37.5Very low147 Ų147116.2 Ų116.279%0.78662%0.623SS**  trans-77.495.8-178.5-79.4-29.1000109.4S601 D605S601-D603 PolarHBondContact O-N 3.05Å; D603-D605 PolarHBondContact O-N 3.27Å
604Y35.8Very low38.3Very low166 Ų166113.7 Ų113.765%0.65162%0.616SS**  trans-62.998.9176.9174.4-101.8000111.2D602 F606 T609D602-Y604 PolarHBondContact O-N 2.77Å; D602-Y604 VanDerWaalsContact O-N 3.08Å; Y604-F606 HydrophobicContact CE1-CB 4.5Å; Y604-F606 HydrophobicContact CE1-CD2 4.2Å; Y604-F606 PolarHBondContact O-N 2.94Å; Y604-T609 HydrophobicContact CE2-CG2 4.01Å
605D43.9Very low39.3Very low83 Ų83112.9 Ų112.944%0.44461%0.607SS.*  trans-68.299.3172.8-174.9-6.3000110.3D603 A607 Q608 T609D603-D605 PolarHBondContact O-N 3.27Å; D605-A607 VanDerWaalsContact C-N 3.27Å; D605-A607 PolarHBondContact O-N 3.44Å; D605-A607 WeakPolarHBondContact OD1-CA 3.48Å; D605-A607 WeakPolarHBondContact OD1-CB 3.15Å; D605-A607 PolarHBondContact OD1-N 2.91Å; D605-Q608 HydrophobicContact CB-CB 3.98Å; D605-Q608 PolarHBondContact O-N 3.46Å; D605-Q608 PolarHBondContact OD1-N 2.72Å; D605-Q608 VanDerWaalsContact OD1-N 3.13Å; D605-Q608 WeakPolarHBondContact OD2-CB 3.27Å; D605-T609 WeakPolarHBondContact O-CB 3.41Å; D605-T609 PolarHBondContact O-N 3.02Å; D605-T609 PolarHBondContact O-OG1 3.12Å
606F43Very low40.1Very low131 Ų131108.1 Ų108.158%0.57559%0.587SS**Hα-helixtrans-59.5-35.1175.9-178.4-98.7000112.4Y604 T609 M610Y604-F606 HydrophobicContact CE1-CB 4.5Å; Y604-F606 HydrophobicContact CE1-CD2 4.2Å; Y604-F606 PolarHBondContact O-N 2.94Å; F606-T609 PolarHBondContact O-N 3.2Å; F606-M610 HydrophobicContact CD1-CG 3.93Å; F606-M610 HydrophobicContact CD2-CG 4.49Å; F606-M610 HydrophobicContact CE1-CG 3.53Å; F606-M610 HydrophobicContact CE1-SD 4.1Å; F606-M610 HydrophobicContact CE2-CG 4.14Å; F606-M610 HydrophobicContact CE2-SD 4.31Å; F606-M610 HydrophobicContact CG-CG 4.4Å; F606-M610 HydrophobicContact CZ-CG 3.65Å; F606-M610 HydrophobicContact CZ-SD 3.71Å; F606-M610 WeakPolarHBondContact O-CB 3.44Å; F606-M610 VanDerWaalsContact O-CG 3.23Å; F606-M610 WeakPolarHBondContact O-CG 3.38Å; F606-M610 PolarHBondContact O-N 3.12Å
607A45.4Very low40.9Very low41 Ų41109.8 Ų109.834%0.33959%0.587SS.*Hα-helixtrans-73.7-40.5179.800000111.6D605 T609 R611D605-A607 VanDerWaalsContact C-N 3.27Å; D605-A607 PolarHBondContact O-N 3.44Å; D605-A607 WeakPolarHBondContact OD1-CA 3.48Å; D605-A607 WeakPolarHBondContact OD1-CB 3.15Å; D605-A607 PolarHBondContact OD1-N 2.91Å; A607-T609 VanDerWaalsContact C-N 3.29Å; A607-T609 PolarHBondContact O-N 3.29Å; A607-R611 VanDerWaalsContact O-CG 3.29Å; A607-R611 WeakPolarHBondContact O-CG 3.36Å; A607-R611 PolarHBondContact O-N 2.72Å
608Q49.7Very low41.6Very low135 Ų135113.2 Ų113.263%0.63159%0.589SS**Hα-helixtrans-65.1-35.1171.3-168.8172.914.100111.6D605 L612D605-Q608 HydrophobicContact CB-CB 3.98Å; D605-Q608 PolarHBondContact O-N 3.46Å; D605-Q608 PolarHBondContact OD1-N 2.72Å; D605-Q608 VanDerWaalsContact OD1-N 3.13Å; D605-Q608 WeakPolarHBondContact OD2-CB 3.27Å; Q608-L612 WeakPolarHBondContact O-CB 3.24Å; Q608-L612 PolarHBondContact O-N 3.39Å
609T46.4Very low42.1Very low34 Ų34111.8 Ų111.821%0.20959%0.588CS.*Hα-helixtrans-73.5-41.9179.1-49.70000112.4Y604 D605 F606 A607 R611 L612 L613Y604-T609 HydrophobicContact CE2-CG2 4.01Å; D605-T609 WeakPolarHBondContact O-CB 3.41Å; D605-T609 PolarHBondContact O-N 3.02Å; D605-T609 PolarHBondContact O-OG1 3.12Å; F606-T609 PolarHBondContact O-N 3.2Å; A607-T609 VanDerWaalsContact C-N 3.29Å; A607-T609 PolarHBondContact O-N 3.29Å; T609-R611 VanDerWaalsContact C-N 3.33Å; T609-R611 PolarHBondContact O-N 2.91Å; T609-L612 PolarHBondContact O-N 2.85Å; T609-L613 HydrophobicContact CG2-CD1 4Å; T609-L613 HydrophobicContact CG2-CG 4.49Å; T609-L613 WeakPolarHBondContact O-CG 3.44Å; T609-L613 PolarHBondContact O-N 3.48Å
610M45.8Very low42.7Very low39 Ų39112 Ų11219%0.19259%0.59CS.*Hα-helixtrans-56.9-45.9173.7-79.9-74.7-67.400111.7F606 L612 L613 G614 L615 D616F606-M610 HydrophobicContact CD1-CG 3.93Å; F606-M610 HydrophobicContact CD2-CG 4.49Å; F606-M610 HydrophobicContact CE1-CG 3.53Å; F606-M610 HydrophobicContact CE1-SD 4.1Å; F606-M610 HydrophobicContact CE2-CG 4.14Å; F606-M610 HydrophobicContact CE2-SD 4.31Å; F606-M610 HydrophobicContact CG-CG 4.4Å; F606-M610 HydrophobicContact CZ-CG 3.65Å; F606-M610 HydrophobicContact CZ-SD 3.71Å; F606-M610 WeakPolarHBondContact O-CB 3.44Å; F606-M610 VanDerWaalsContact O-CG 3.23Å; F606-M610 WeakPolarHBondContact O-CG 3.38Å; F606-M610 PolarHBondContact O-N 3.12Å; M610-L612 PolarHBondContact O-N 3.01Å; M610-L613 PolarHBondContact O-N 3.32Å; M610-G614 PolarHBondContact O-N 2.97Å; M610-G614 VanDerWaalsContact O-N 3.1Å; M610-L615 HydrophobicContact CE-CB 3.7Å; M610-L615 VanDerWaalsContact CE-O 3.31Å; M610-L615 WeakPolarHBondContact CE-O 3.31Å; M610-L615 PolarHBondContact O-N 2.96Å; M610-L615 VanDerWaalsContact O-N 3.12Å; M610-L615 HydrophobicContact SD-CB 3.84Å; M610-L615 HydrophobicContact SD-CD1 4.31Å; M610-D616 WeakPolarHBondContact CE-OD1 3.47Å
611R51Low43.1Very low140 Ų140105.6 Ų105.653%0.52857%0.574SS.*Hα-helixtrans-64.5-36.4175.3-69.8172.1-176.4149.10.5113.3A607 T609 L613 G614 D616A607-R611 VanDerWaalsContact O-CG 3.29Å; A607-R611 WeakPolarHBondContact O-CG 3.36Å; A607-R611 PolarHBondContact O-N 2.72Å; T609-R611 VanDerWaalsContact C-N 3.33Å; T609-R611 PolarHBondContact O-N 2.91Å; R611-L613 VanDerWaalsContact C-N 3.3Å; R611-G614 PolarHBondContact O-N 3.27Å; R611-D616 WeakPolarHBondContact CG-OD2 3.42Å; R611-D616 IonicContact NE-OD2 3.14Å
612L48.3Very low43.5Very low85 Ų85106.8 Ų106.845%0.44558%0.582SS.*Hα-helixtrans-71.1-26.2176.6-167.170.4000112.6Q608 T609 M610Q608-L612 WeakPolarHBondContact O-CB 3.24Å; Q608-L612 PolarHBondContact O-N 3.39Å; T609-L612 PolarHBondContact O-N 2.85Å; M610-L612 PolarHBondContact O-N 3.01Å
613L48.3Very low43.8Very low110 Ų110107 Ų10758%0.57658%0.584SS**Hα-helixtrans-92.3-5177.7-68.5171.8000113.8T609 M610 R611 L615T609-L613 HydrophobicContact CG2-CD1 4Å; T609-L613 HydrophobicContact CG2-CG 4.49Å; T609-L613 WeakPolarHBondContact O-CG 3.44Å; T609-L613 PolarHBondContact O-N 3.48Å; M610-L613 PolarHBondContact O-N 3.32Å; R611-L613 VanDerWaalsContact C-N 3.3Å; L613-L615 HydrophobicContact CB-CD1 3.92Å; L613-L615 HydrophobicContact CB-CG 3.99Å; L613-L615 HydrophobicContact CD1-CD1 4.23Å
614G45.6Very low44.1Very low61 Ų61104.7 Ų104.763%0.62957%0.571SS**THydrogen-bonded Turntrans67.731-178.700000114.2M610 R611M610-G614 PolarHBondContact O-N 2.97Å; M610-G614 VanDerWaalsContact O-N 3.1Å; R611-G614 PolarHBondContact O-N 3.27Å
615L50.8Low44.6Very low104 Ų10498.6 Ų98.655%0.54555%0.553SS.*  trans-101.14.8-174.4-66.6175.2000114.7M610 L613M610-L615 HydrophobicContact CE-CB 3.7Å; M610-L615 VanDerWaalsContact CE-O 3.31Å; M610-L615 WeakPolarHBondContact CE-O 3.31Å; M610-L615 PolarHBondContact O-N 2.96Å; M610-L615 VanDerWaalsContact O-N 3.12Å; M610-L615 HydrophobicContact SD-CB 3.84Å; M610-L615 HydrophobicContact SD-CD1 4.31Å; L613-L615 HydrophobicContact CB-CD1 3.92Å; L613-L615 HydrophobicContact CB-CG 3.99Å; L613-L615 HydrophobicContact CD1-CD1 4.23Å
616D45Very low44.9Very low84 Ų84100.2 Ų100.245%0.44956%0.56SS.*  trans-90.394.5169.7-76.4-24.9000109.5M610 R611 D618M610-D616 WeakPolarHBondContact CE-OD1 3.47Å; R611-D616 WeakPolarHBondContact CG-OD2 3.42Å; R611-D616 IonicContact NE-OD2 3.14Å; D616-D618 PolarHBondContact O-N 3.12Å; D616-D618 VanDerWaalsContact O-N 3.14Å
617D41.7Very low45.2Very low149 Ų14996.3 Ų96.380%0.79755%0.549SS*.  trans-738.3177.8-96.3-37.5000114.2M619D617-M619 VanDerWaalsContact C-N 3.26Å; D617-M619 PolarHBondContact O-N 3.05Å
618D44.9Very low45.6Very low141 Ų14195.7 Ų95.775%0.75455%0.547SS*.  trans-76.170.1-174.2-102.7-8.4000112.4D616 S620D616-D618 PolarHBondContact O-N 3.12Å; D616-D618 VanDerWaalsContact O-N 3.14Å; D618-S620 PolarHBondContact O-N 3.11Å
619M39.7Very low46.3Very low186 Ų18691.5 Ų91.592%0.91653%0.527SS*.THydrogen-bonded Turntrans-62.944.6179.5-79.3-82.1-169.100115.3D617D617-M619 VanDerWaalsContact C-N 3.26Å; D617-M619 PolarHBondContact O-N 3.05Å
620S39.8Very low47.9Very low110 Ų11090 Ų9077%0.76952%0.519SS*.THydrogen-bonded Turntrans-137.4-5.3179.965.90000115.3D618D618-S620 PolarHBondContact O-N 3.11Å
621G38.4Very low49.6Very low43 Ų4388.2 Ų88.244%0.44351%0.51SS..  trans-89.4105.717300000113N623G621-N623 PolarHBondContact O-N 3.36Å
622S41.1Very low51.2Low121 Ų12181.7 Ų81.785%0.84649%0.485SS*.THydrogen-bonded Turntrans-7717.5-177.668.90000115.5
623N41.3Very low53Low138 Ų13878.4 Ų78.474%0.73847%0.468SS*.THydrogen-bonded Turntrans-121.41.1-169.6-71.47.3000113.9G621 S625G621-N623 PolarHBondContact O-N 3.36Å; N623-S625 PolarHBondContact O-N 2.94Å
624D40.1Very low54.9Low97 Ų9773.2 Ų73.252%0.51944%0.441SS..  trans-80.248.6-175.8-62.5-62.4000113.2I626 S627D624-I626 VanDerWaalsContact C-N 3.32Å; D624-I626 PolarHBondContact O-N 3.31Å; D624-S627 PolarHBondContact O-OG 3.48Å; D624-S627 VanDerWaalsContact O-OG 3.12Å
625S46.8Very low57Low38 Ų3871.1 Ų71.127%0.26641%0.414SS..  trans-77.8-10.9-172.875.50000115.2Q554 H555 N623Q554-S625 PolarHBondContact NE2-O 3.48Å; Q554-S625 VanDerWaalsContact NE2-O 3.12Å; Q554-S625 VanDerWaalsContact OE1-CB 3.3Å; Q554-S625 PolarHBondContact OE1-OG 2.79Å; H555-S625 PolarHBondContact CE1-OG 3.06Å; N623-S625 PolarHBondContact O-N 2.94Å
626I49.2Very low58.8Low118 Ų11866.2 Ų66.261%0.60539%0.389SS*.SBendtrans-87.6-33.9-175.4-63175.3000111.3D624 G628D624-I626 VanDerWaalsContact C-N 3.32Å; D624-I626 PolarHBondContact O-N 3.31Å; I626-G628 PolarHBondContact O-N 2.86Å
627S49.3Very low61Low49 Ų4962.2 Ų62.234%0.34337%0.368SS..THydrogen-bonded Turntrans-73.6-1.2175.1440000113.5I441 M445 D624I441-S627 WeakPolarHBondContact CG2-O 3.2Å; M445-S627 WeakPolarHBondContact CE-O 3.42Å; D624-S627 PolarHBondContact O-OG 3.48Å; D624-S627 VanDerWaalsContact O-OG 3.12Å
628G55Low63.4Low28 Ų2855.2 Ų55.229%0.28933%0.33SS..THydrogen-bonded Turntrans-98.8-1-176.100000116.9I626I626-G628 PolarHBondContact O-N 2.86Å
629Q64.4Low65.7Low47 Ų4749 Ų4922%0.2230%0.296CS..  trans-14250.5-167.2-67.3-175.7-3.400114.2A631 F632 L633Q629-A631 VanDerWaalsContact C-N 3.32Å; Q629-A631 PolarHBondContact O-N 3.17Å; Q629-F632 HydrophobicContact CB-CB 4.42Å; Q629-F632 PolarHBondContact O-N 2.83Å; Q629-L633 PolarHBondContact O-N 3.35Å; Q629-L633 VanDerWaalsContact O-N 3.12Å
630G79.2Confident68.3Low2 Ų240.3 Ų40.32%0.02125%0.253CS..Hα-helixtrans-65.4-33.9-177.700000112.5E444 M445 S634E444-G630 WeakPolarHBondContact O-CA 3.4Å; E444-G630 PolarHBondContact OE2-N 3.48Å; M445-G630 VanDerWaalsContact CE-CA 3.49Å; G630-S634 WeakPolarHBondContact O-CB 3.2Å; G630-S634 PolarHBondContact O-N 3.44Å; G630-S634 PolarHBondContact O-OG 3.45Å
631A82.8Confident70.8Confident1 Ų135.1 Ų35.11%0.00822%0.217CC..Hα-helixtrans-69.2-40.3177.200000112.7L415 L422 E444 Q629 S634 F635L415-A631 HydrophobicContact CD1-CB 3.62Å; L422-A631 HydrophobicContact CD1-CB 3.96Å; E444-A631 HydrophobicContact CB-CB 4.46Å; E444-A631 HydrophobicContact CG-CB 3.83Å; E444-A631 VanDerWaalsContact OE2-CB 3.31Å; E444-A631 WeakPolarHBondContact OE2-CB 3.38Å; E444-A631 PolarHBondContact OE2-N 3.11Å; Q629-A631 VanDerWaalsContact C-N 3.32Å; Q629-A631 PolarHBondContact O-N 3.17Å; A631-S634 WeakPolarHBondContact O-CB 3.01Å; A631-S634 PolarHBondContact O-N 2.88Å; A631-F635 WeakPolarHBondContact O-CB 3.36Å; A631-F635 PolarHBondContact O-N 3.17Å
632F84.3Confident73.5Confident3 Ų335.1 Ų35.11%0.01321%0.205CC..Hα-helixtrans-69.5-44176.8-176.9-122.9000111.7Y411 N413 L418 V550 I553 Q629 S634 F635 L636Y411-F632 HydrophobicContact CD1-CZ 4.38Å; N413-F632 WeakPolarHBondContact OD1-CE1 3.32Å; L418-F632 HydrophobicContact CD1-CB 4Å; L418-F632 HydrophobicContact CD1-CD2 3.88Å; L418-F632 HydrophobicContact CD1-CG 4.43Å; L418-F632 HydrophobicContact CD2-CD2 4.46Å; V550-F632 HydrophobicContact CG1-CD1 4.32Å; V550-F632 HydrophobicContact CG1-CE1 4.46Å; V550-F632 HydrophobicContact CG2-CD1 4.02Å; V550-F632 HydrophobicContact CG2-CE1 3.9Å; I553-F632 HydrophobicContact CD1-CE1 4.43Å; I553-F632 HydrophobicContact CD1-CZ 4.39Å; Q629-F632 HydrophobicContact CB-CB 4.42Å; Q629-F632 PolarHBondContact O-N 2.83Å; F632-S634 VanDerWaalsContact C-N 3.31Å; F632-S634 PolarHBondContact O-N 3.37Å; F632-F635 HydrophobicContact CD2-CD1 4.2Å; F632-F635 HydrophobicContact CE2-CD1 4.28Å; F632-F635 WeakPolarHBondContact O-CB 3.19Å; F632-F635 PolarHBondContact O-N 3.2Å; F632-L636 HydrophobicContact CD1-CD1 4.28Å; F632-L636 HydrophobicContact CE1-CD1 3.85Å; F632-L636 HydrophobicContact CE1-CG 4.49Å; F632-L636 HydrophobicContact CE2-CD1 4.47Å; F632-L636 HydrophobicContact CE2-CD2 4.32Å; F632-L636 HydrophobicContact CE2-CG 4.27Å; F632-L636 HydrophobicContact CZ-CD1 3.95Å; F632-L636 HydrophobicContact CZ-CD2 4.28Å; F632-L636 HydrophobicContact CZ-CG 4.22Å; F632-L636 WeakPolarHBondContact O-CG 3.43Å; F632-L636 PolarHBondContact O-N 3.22Å
633L85.1Confident76Confident17 Ų1729.4 Ų29.49%0.08917%0.165CC..Hα-helixtrans-63.7-38.8175.8-169.262.7000111.4F448 R547 V550 Q629 L636 H637F448-L633 HydrophobicContact CD1-CD2 4.27Å; F448-L633 HydrophobicContact CD2-CB 4.26Å; F448-L633 HydrophobicContact CD2-CD2 4.05Å; F448-L633 HydrophobicContact CD2-CG 4.03Å; F448-L633 HydrophobicContact CE1-CD2 3.81Å; F448-L633 HydrophobicContact CE2-CB 4.38Å; F448-L633 HydrophobicContact CE2-CD2 3.59Å; F448-L633 HydrophobicContact CE2-CG 3.64Å; F448-L633 HydrophobicContact CG-CD2 4.39Å; F448-L633 HydrophobicContact CZ-CD2 3.46Å; F448-L633 VanDerWaalsContact CZ-CD2 3.46Å; F448-L633 HydrophobicContact CZ-CG 4.04Å; R547-L633 HydrophobicContact CG-CD1 3.93Å; R547-L633 HydrophobicContact CG-CD2 4.07Å; V550-L633 HydrophobicContact CG2-CD1 3.92Å; Q629-L633 PolarHBondContact O-N 3.35Å; Q629-L633 VanDerWaalsContact O-N 3.12Å; L633-L636 PolarHBondContact O-N 3.18Å; L633-H637 PolarHBondContact O-N 3.43Å; L633-H637 VanDerWaalsContact O-N 3.07Å; L633-H637 PolarHBondContact O-ND1 3.04Å
634S89Confident78.5Confident0 Ų023 Ų230%013%0.13CC..Hα-helixtrans-58.8-48.8171.5-70.20000112.7F448 I451 G630 A631 F632 L636 H637 L638F448-S634 WeakPolarHBondContact CA-OG 3.46Å; F448-S634 WeakPolarHBondContact CB-OG 2.98Å; F448-S634 PolarHBondContact N-OG 2.88Å; I451-S634 VanDerWaalsContact CD1-CB 3.49Å; G630-S634 WeakPolarHBondContact O-CB 3.2Å; G630-S634 PolarHBondContact O-N 3.44Å; G630-S634 PolarHBondContact O-OG 3.45Å; A631-S634 WeakPolarHBondContact O-CB 3.01Å; A631-S634 PolarHBondContact O-N 2.88Å; F632-S634 VanDerWaalsContact C-N 3.31Å; F632-S634 PolarHBondContact O-N 3.37Å; S634-L636 VanDerWaalsContact C-N 3.33Å; S634-L636 PolarHBondContact O-N 3.33Å; S634-H637 PolarHBondContact O-N 3.24Å; S634-L638 WeakPolarHBondContact O-CG 3.06Å; S634-L638 PolarHBondContact O-N 3.48Å
635F89Confident81Confident17 Ų1719.1 Ų19.18%0.07511%0.109CC..Hα-helixtrans-57.9-45.2176.9166.7-107.4000111.2L418 H421 L422 L425 A631 F632 H637 L638 R639L418-F635 HydrophobicContact CD2-CB 4.44Å; L418-F635 HydrophobicContact CD2-CD1 3.74Å; L418-F635 HydrophobicContact CD2-CD2 4.33Å; L418-F635 HydrophobicContact CD2-CE1 3.99Å; L418-F635 HydrophobicContact CD2-CG 3.92Å; L418-F635 HydrophobicContact CD2-CZ 4.39Å; H421-F635 HydrophobicContact CB-CD2 4.07Å; H421-F635 HydrophobicContact CB-CE2 3.77Å; L422-F635 HydrophobicContact CD2-CB 3.87Å; L422-F635 HydrophobicContact CG-CB 4.36Å; L425-F635 HydrophobicContact CD1-CD2 4.07Å; L425-F635 HydrophobicContact CD1-CE2 4.31Å; A631-F635 WeakPolarHBondContact O-CB 3.36Å; A631-F635 PolarHBondContact O-N 3.17Å; F632-F635 HydrophobicContact CD2-CD1 4.2Å; F632-F635 HydrophobicContact CE2-CD1 4.28Å; F632-F635 WeakPolarHBondContact O-CB 3.19Å; F632-F635 PolarHBondContact O-N 3.2Å; F635-H637 PolarHBondContact O-N 2.89Å; F635-L638 PolarHBondContact O-N 3.4Å; F635-R639 WeakPolarHBondContact O-CB 3.09Å; F635-R639 PolarHBondContact O-N 3.4Å
636L88.8Confident83.3Confident2 Ų217.9 Ų17.91%0.0110%0.1CC..Hα-helixtrans-62.3-43177.4-70179000112.9L546 V550 F632 L633 S634 R639 H640L546-L636 HydrophobicContact CD2-CB 4.43Å; V550-L636 HydrophobicContact CG2-CD1 3.35Å; F632-L636 HydrophobicContact CD1-CD1 4.28Å; F632-L636 HydrophobicContact CE1-CD1 3.85Å; F632-L636 HydrophobicContact CE1-CG 4.49Å; F632-L636 HydrophobicContact CE2-CD1 4.47Å; F632-L636 HydrophobicContact CE2-CD2 4.32Å; F632-L636 HydrophobicContact CE2-CG 4.27Å; F632-L636 HydrophobicContact CZ-CD1 3.95Å; F632-L636 HydrophobicContact CZ-CD2 4.28Å; F632-L636 HydrophobicContact CZ-CG 4.22Å; F632-L636 WeakPolarHBondContact O-CG 3.43Å; F632-L636 PolarHBondContact O-N 3.22Å; L633-L636 PolarHBondContact O-N 3.18Å; S634-L636 VanDerWaalsContact C-N 3.33Å; S634-L636 PolarHBondContact O-N 3.33Å; L636-R639 PolarHBondContact O-N 2.71Å; L636-H640 WeakPolarHBondContact O-CB 3.16Å; L636-H640 PolarHBondContact O-N 3.45Å
637H90.7Very high85.4Confident0 Ų012.4 Ų12.40%07%0.071CC..Hα-helixtrans-62.6-48.3176.7-78.269.2000111.4F448 I451 F455 Q543 L633 S634 F635 R639 H640 L641F448-H637 AromaticContact CE2-CE1 3.75Å; F448-H637 AromaticContact CE2-ND1 3.91Å; I451-H637 HydrophobicContact CG2-CB 4.18Å; F455-H637 HydrophobicContact CD2-CB 3.8Å; F455-H637 AromaticContact CD2-CD2 3.73Å; F455-H637 HydrophobicContact CE2-CB 4.04Å; F455-H637 AromaticContact CE2-CD2 3.89Å; F455-H637 WeakPolarHBondContact CE2-O 3.43Å; F455-H637 AromaticContact CG-CD2 3.98Å; Q543-H637 WeakPolarHBondContact CG-NE2 3.31Å; L633-H637 PolarHBondContact O-N 3.43Å; L633-H637 VanDerWaalsContact O-N 3.07Å; L633-H637 PolarHBondContact O-ND1 3.04Å; S634-H637 PolarHBondContact O-N 3.24Å; F635-H637 PolarHBondContact O-N 2.89Å; H637-R639 PolarHBondContact O-N 3.34Å; H637-H640 PolarHBondContact O-N 2.93Å; H637-L641 PolarHBondContact O-N 3.26Å
638L93.4Very high87.5Confident1 Ų110.2 Ų10.21%0.0056%0.056CC..Hα-helixtrans-67.7-34.7178.2-64.7-178.6000112.7L422 L425 Y429 I431 I451 S634 F635 L641 K642L422-L638 HydrophobicContact CD2-CD1 4.48Å; L425-L638 HydrophobicContact CB-CB 3.93Å; L425-L638 HydrophobicContact CB-CD1 3.81Å; L425-L638 HydrophobicContact CB-CG 4.48Å; L425-L638 HydrophobicContact CD1-CB 3.91Å; L425-L638 HydrophobicContact CG-CB 4.37Å; Y429-L638 HydrophobicContact CD2-CD2 4.01Å; I431-L638 HydrophobicContact CD1-CD2 3.83Å; I451-L638 HydrophobicContact CD1-CD1 3.63Å; I451-L638 HydrophobicContact CD1-CD2 4.5Å; I451-L638 HydrophobicContact CD1-CG 4.07Å; I451-L638 HydrophobicContact CG1-CD1 4.23Å; I451-L638 HydrophobicContact CG1-CD2 4.31Å; I451-L638 HydrophobicContact CG1-CG 4.4Å; I451-L638 HydrophobicContact CG2-CD2 3.83Å; I451-L638 HydrophobicContact CG2-CG 4Å; S634-L638 WeakPolarHBondContact O-CG 3.06Å; S634-L638 PolarHBondContact O-N 3.48Å; F635-L638 PolarHBondContact O-N 3.4Å; L638-L641 HydrophobicContact CD2-CD1 4.46Å; L638-L641 PolarHBondContact O-N 3.16Å; L638-K642 WeakPolarHBondContact O-CB 3.37Å; L638-K642 PolarHBondContact O-N 3.44Å
639R93.1Very high89.4Confident11 Ų119.6 Ų9.64%0.0425%0.046CC..Hα-helixtrans-65.8-39.6174.8-178166.770.2171.93.6111.9F635 L636 H637 K642 L643 D814 Y820F635-R639 WeakPolarHBondContact O-CB 3.09Å; F635-R639 PolarHBondContact O-N 3.4Å; L636-R639 PolarHBondContact O-N 2.71Å; H637-R639 PolarHBondContact O-N 3.34Å; R639-K642 PolarHBondContact O-N 2.9Å; R639-L643 HydrophobicContact CG-CD1 4.34Å; R639-L643 WeakPolarHBondContact O-CB 3.26Å; R639-L643 PolarHBondContact O-N 3.35Å; R639-D814 IonicContact CZ-OD1 3.11Å; R639-D814 IonicContact CZ-OD2 3.44Å; R639-D814 IonicContact NH1-OD1 2.77Å; R639-D814 IonicContact NH1-OD2 2.7Å; R639-D814 PolarHBondContact NH1-OD2 3.44Å; R639-D814 IonicContact NH2-OD1 2.67Å; R639-D814 PolarHBondContact NH2-OD1 3.46Å; R639-D814 VanDerWaalsContact NH2-OD1 3.15Å; R639-D814 IonicContact NH2-OD2 3.34Å; R639-D814 PolarHBondContact NH2-OD2 3.29Å; R639-Y820 HydrophobicContact CG-CD2 3.8Å; R639-Y820 HydrophobicContact CG-CE2 4.44Å; R639-Y820 HydrophobicContact CG-CG 4.2Å
640H92.9Very high90.8Very high4 Ų47.4 Ų7.42%0.0194%0.036CC..Hα-helixtrans-62.9-46.7175.1-177.7100.6000111.6F459 L533 V542 L546 L636 H637 K642 L643 R644F459-H640 AromaticContact CE2-NE2 3.72Å; L533-H640 PolarHBondContact O-CE1 2.9Å; V542-H640 VanDerWaalsContact CG1-CE1 3.45Å; V542-H640 WeakPolarHBondContact CG1-CE1 2.96Å; V542-H640 WeakPolarHBondContact CG1-NE2 3.39Å; L546-H640 HydrophobicContact CD1-CB 4.07Å; L636-H640 WeakPolarHBondContact O-CB 3.16Å; L636-H640 PolarHBondContact O-N 3.45Å; H637-H640 PolarHBondContact O-N 2.93Å; H640-K642 VanDerWaalsContact C-N 3.3Å; H640-K642 PolarHBondContact O-N 3.2Å; H640-L643 PolarHBondContact O-N 2.86Å; H640-R644 WeakPolarHBondContact NE2-CD 3.38Å; H640-R644 PolarHBondContact O-N 2.85Å
641L94.2Very high91.6Very high1 Ų17.5 Ų7.51%0.0054%0.036CC..Hα-helixtrans-58.4-43.8173.4-65.6175.6000111.2Y429 F455 I458 F459 Q462 H637 L638 L643 R644 D645Y429-L641 HydrophobicContact CE2-CB 4.21Å; Y429-L641 VanDerWaalsContact OH-C 3.29Å; Y429-L641 PolarHBondContact OH-O 3.01Å; F455-L641 HydrophobicContact CD2-CD1 3.69Å; F455-L641 HydrophobicContact CD2-CD2 3.99Å; F455-L641 HydrophobicContact CD2-CG 3.74Å; F455-L641 HydrophobicContact CE2-CD1 4.21Å; F455-L641 HydrophobicContact CE2-CD2 3.83Å; F455-L641 HydrophobicContact CE2-CG 3.72Å; F455-L641 HydrophobicContact CG-CD1 4.45Å; F455-L641 HydrophobicContact CZ-CD2 4.35Å; I458-L641 HydrophobicContact CB-CD1 4.09Å; I458-L641 HydrophobicContact CB-CD2 4.39Å; I458-L641 HydrophobicContact CD1-CD1 4.25Å; I458-L641 HydrophobicContact CG2-CD1 4Å; I458-L641 HydrophobicContact CG2-CD2 4.12Å; F459-L641 HydrophobicContact CB-CD2 4Å; F459-L641 HydrophobicContact CD2-CD2 4.25Å; Q462-L641 PolarHBondContact NE2-O 3.35Å; H637-L641 PolarHBondContact O-N 3.26Å; L638-L641 HydrophobicContact CD2-CD1 4.46Å; L638-L641 PolarHBondContact O-N 3.16Å; L641-L643 PolarHBondContact O-N 3.22Å; L641-R644 PolarHBondContact O-N 3.41Å; L641-D645 PolarHBondContact O-N 3.33Å
642K93.8Very high92.2Very high43 Ų437.6 Ų7.619%0.1874%0.037CC..Hα-helixtrans-68.1-36.7-178.2-169.560.7175.7-177.40113L425 T428 Y429 L638 R639 H640 D645 L646 Y820L425-K642 HydrophobicContact CD2-CB 3.74Å; L425-K642 HydrophobicContact CD2-CD 4.45Å; L425-K642 HydrophobicContact CD2-CG 3.86Å; T428-K642 HydrophobicContact CG2-CD 4.37Å; Y429-K642 WeakPolarHBondContact OH-CA 3.41Å; Y429-K642 PolarHBondContact OH-N 3.47Å; Y429-K642 VanDerWaalsContact OH-N 3.17Å; L638-K642 WeakPolarHBondContact O-CB 3.37Å; L638-K642 PolarHBondContact O-N 3.44Å; R639-K642 PolarHBondContact O-N 2.9Å; H640-K642 VanDerWaalsContact C-N 3.3Å; H640-K642 PolarHBondContact O-N 3.2Å; K642-D645 PolarHBondContact O-N 2.69Å; K642-L646 HydrophobicContact CG-CD1 4.28Å; K642-L646 WeakPolarHBondContact O-CB 3.42Å; K642-L646 WeakPolarHBondContact O-CG 3.17Å; K642-L646 PolarHBondContact O-N 3Å; K642-Y820 HydrophobicContact CB-CE2 4.23Å; K642-Y820 HydrophobicContact CG-CE2 3.85Å
643L93.6Very high92.7Very high1 Ų17.7 Ų7.71%0.0054%0.038CC..Hα-helixtrans-57.3-49171.1-90164.3000111.7L534 R639 H640 L641 D645 L646 M647 L819 Y820 W823L534-L643 HydrophobicContact CD1-CB 4.15Å; L534-L643 HydrophobicContact CD1-CD1 4.3Å; L534-L643 HydrophobicContact CD1-CD2 4.17Å; L534-L643 HydrophobicContact CD1-CG 4.45Å; L534-L643 HydrophobicContact CD2-CB 3.84Å; L534-L643 HydrophobicContact CD2-CD1 3.94Å; L534-L643 HydrophobicContact CD2-CG 4.45Å; R639-L643 HydrophobicContact CG-CD1 4.34Å; R639-L643 WeakPolarHBondContact O-CB 3.26Å; R639-L643 PolarHBondContact O-N 3.35Å; H640-L643 PolarHBondContact O-N 2.86Å; L641-L643 PolarHBondContact O-N 3.22Å; L643-D645 VanDerWaalsContact C-N 3.34Å; L643-D645 PolarHBondContact O-N 2.7Å; L643-L646 PolarHBondContact O-N 3.4Å; L643-M647 WeakPolarHBondContact O-CG 3.45Å; L643-M647 PolarHBondContact O-N 2.84Å; L643-L819 HydrophobicContact CD2-CB 4.13Å; L643-Y820 HydrophobicContact CG-CD2 4.39Å; L643-W823 HydrophobicContact CD2-CB 4.18Å; L643-W823 HydrophobicContact CD2-CG 4.28Å
644R93.5Very high93.3Very high3 Ų37.8 Ų7.81%0.0114%0.038CC..Hα-helixtrans-64.7-34.4178.2-76.2171.953.3102.9-6.4113.2Q462 E463 Y466 L534 F536 H640 L641 R648Q462-R644 VanDerWaalsContact OE1-CB 3.28Å; Q462-R644 VanDerWaalsContact OE1-NE 3.11Å; E463-R644 IonicContact OE1-CZ 3.77Å; E463-R644 VanDerWaalsContact OE1-CZ 3.29Å; E463-R644 IonicContact OE1-NH1 2.66Å; E463-R644 PolarHBondContact OE1-NH1 3.28Å; E463-R644 IonicContact OE1-NH2 3.61Å; E463-R644 PolarHBondContact OE1-NH2 2.84Å; Y466-R644 PolarHBondContact OH-O 2.86Å; L534-R644 HydrophobicContact CB-CG 4.38Å; L534-R644 PolarHBondContact O-NH1 3.09Å; F536-R644 PolarHBondContact O-NH1 3.11Å; F536-R644 VanDerWaalsContact O-NH1 3.13Å; H640-R644 WeakPolarHBondContact NE2-CD 3.38Å; H640-R644 PolarHBondContact O-N 2.85Å; L641-R644 PolarHBondContact O-N 3.41Å; R644-R648 WeakPolarHBondContact O-CB 3.05Å; R644-R648 PolarHBondContact O-N 3.38Å; R644-R648 VanDerWaalsContact O-N 3.08Å
645D92.2Very high93.6Very high16 Ų168 Ų89%0.0864%0.039CC..Hα-helixtrans-66.3-45.1171.3-83.2-46.7000112.5Y429 Q462 L641 K642 L643 R648 T649 R742Y429-D645 VanDerWaalsContact CE1-OD2 3.31Å; Y429-D645 WeakPolarHBondContact CE1-OD2 3.32Å; Y429-D645 PolarHBondContact OH-OD2 2.66Å; Q462-D645 PolarHBondContact NE2-OD1 3.16Å; Q462-D645 PolarHBondContact NE2-OD2 3.01Å; L641-D645 PolarHBondContact O-N 3.33Å; K642-D645 PolarHBondContact O-N 2.69Å; L643-D645 VanDerWaalsContact C-N 3.34Å; L643-D645 PolarHBondContact O-N 2.7Å; D645-R648 PolarHBondContact O-N 3.37Å; D645-R648 VanDerWaalsContact O-N 3.14Å; D645-T649 PolarHBondContact O-N 2.89Å; D645-T649 PolarHBondContact O-OG1 2.97Å; D645-R742 IonicContact OD1-CZ 2.71Å; D645-R742 IonicContact OD1-NH1 3.96Å; D645-R742 PolarHBondContact OD1-NH1 3.35Å; D645-R742 IonicContact OD1-NH2 3.93Å
646L94.9Very high93.9Very high12 Ų127.2 Ų7.26%0.0634%0.036CC..Hα-helixtrans-60.6-47.5179.1-72166.1000111.3K642 L643 R648 T649 C650 Y820 W823 T827K642-L646 HydrophobicContact CG-CD1 4.28Å; K642-L646 WeakPolarHBondContact O-CB 3.42Å; K642-L646 WeakPolarHBondContact O-CG 3.17Å; K642-L646 PolarHBondContact O-N 3Å; L643-L646 PolarHBondContact O-N 3.4Å; L646-R648 VanDerWaalsContact C-N 3.3Å; L646-R648 PolarHBondContact O-N 3.33Å; L646-T649 PolarHBondContact O-N 2.96Å; L646-C650 PolarHBondContact O-N 2.97Å; L646-Y820 HydrophobicContact CD1-CD2 4.47Å; L646-Y820 HydrophobicContact CD1-CE2 4.41Å; L646-W823 HydrophobicContact CB-CB 4.28Å; L646-W823 HydrophobicContact CD1-CB 4.42Å; L646-T827 HydrophobicContact CD2-CG2 3.97Å; L646-T827 PolarHBondContact O-OG1 2.8Å
647M94.4Very high94.3Very high2 Ų27.5 Ų7.51%0.014%0.037CC..Hα-helixtrans-55.8-44.5171.8-70.7168.275.100111.4Y466 L534 L643 T649 C650 I651 F762 W823Y466-M647 WeakPolarHBondContact OH-CB 3.33Å; L534-M647 HydrophobicContact CB-CE 4.28Å; L534-M647 HydrophobicContact CB-SD 3.92Å; L534-M647 HydrophobicContact CD1-SD 3.59Å; L534-M647 VanDerWaalsContact CD1-SD 3.59Å; L534-M647 HydrophobicContact CG-SD 4.36Å; L643-M647 WeakPolarHBondContact O-CG 3.45Å; L643-M647 PolarHBondContact O-N 2.84Å; M647-T649 PolarHBondContact O-N 3.29Å; M647-C650 WeakPolarHBondContact O-CB 3.49Å; M647-C650 PolarHBondContact O-N 3.24Å; M647-I651 WeakPolarHBondContact O-CG1 3.09Å; M647-I651 PolarHBondContact O-N 3.28Å; M647-F762 HydrophobicContact CB-CE2 4.16Å; M647-F762 HydrophobicContact CB-CZ 3.83Å; M647-F762 HydrophobicContact CE-CE1 4.21Å; M647-F762 HydrophobicContact CE-CZ 3.83Å; M647-F762 HydrophobicContact CG-CZ 4.04Å; M647-F762 WeakPolarHBondContact O-CE2 3.3Å; M647-W823 HydrophobicContact CE-CZ2 4.47Å; M647-W823 HydrophobicContact CG-CD2 3.81Å; M647-W823 HydrophobicContact CG-CE3 4.17Å; M647-W823 HydrophobicContact CG-CG 4.27Å; M647-W823 HydrophobicContact CG-CH2 4.32Å; M647-W823 HydrophobicContact CG-CZ2 3.95Å; M647-W823 HydrophobicContact CG-CZ3 4.42Å
648R93.1Very high94.5Very high3 Ų38.9 Ų8.91%0.0114%0.042CC..Hα-helixtrans-69.8-31.5-178.1-170.455.1-175.779.3-0.6113.5M465 Y466 R644 D645 L646 S652M465-R648 HydrophobicContact CB-CG 4.25Å; M465-R648 HydrophobicContact CE-CG 3.52Å; M465-R648 PolarHBondContact O-NE 2.86Å; M465-R648 PolarHBondContact O-NH2 3.3Å; M465-R648 HydrophobicContact SD-CG 4.25Å; Y466-R648 HydrophobicContact CE2-CB 4.14Å; Y466-R648 HydrophobicContact CE2-CG 4.44Å; Y466-R648 WeakPolarHBondContact OH-CB 3.43Å; Y466-R648 PolarHBondContact OH-N 2.75Å; R644-R648 WeakPolarHBondContact O-CB 3.05Å; R644-R648 PolarHBondContact O-N 3.38Å; R644-R648 VanDerWaalsContact O-N 3.08Å; D645-R648 PolarHBondContact O-N 3.37Å; D645-R648 VanDerWaalsContact O-N 3.14Å; L646-R648 VanDerWaalsContact C-N 3.3Å; L646-R648 PolarHBondContact O-N 3.33Å; R648-S652 PolarHBondContact O-N 2.81Å; R648-S652 VanDerWaalsContact O-N 3.11Å
649T94.3Very high94.6Very high15 Ų158.8 Ų8.89%0.0924%0.042CC..Hα-helixtrans-69.3-41.6170.6-60.80000111.2D645 L646 M647 I651 S652 V653 R742 T827 E831D645-T649 PolarHBondContact O-N 2.89Å; D645-T649 PolarHBondContact O-OG1 2.97Å; L646-T649 PolarHBondContact O-N 2.96Å; M647-T649 PolarHBondContact O-N 3.29Å; T649-I651 VanDerWaalsContact C-N 3.34Å; T649-I651 PolarHBondContact O-N 2.95Å; T649-S652 WeakPolarHBondContact O-CB 3.16Å; T649-S652 PolarHBondContact O-N 3.14Å; T649-S652 VanDerWaalsContact O-N 3.07Å; T649-V653 PolarHBondContact O-N 3.12Å; T649-R742 HydrophobicContact CG2-CG 4.43Å; T649-T827 HydrophobicContact CG2-CG2 3.64Å; T649-E831 HydrophobicContact CG2-CG 4.38Å
650C95.4Very high94.7Very high1 Ų18.4 Ų8.41%0.0074%0.041CC..Hα-helixtrans-57.3-45.1172.4-74.10000111.9L646 M647 S652 V653 L654 F762 W823 T827L646-C650 PolarHBondContact O-N 2.97Å; M647-C650 WeakPolarHBondContact O-CB 3.49Å; M647-C650 PolarHBondContact O-N 3.24Å; C650-S652 VanDerWaalsContact C-N 3.31Å; C650-S652 PolarHBondContact O-N 3.44Å; C650-V653 PolarHBondContact O-N 2.79Å; C650-L654 WeakPolarHBondContact O-CB 3.29Å; C650-L654 VanDerWaalsContact O-CG 3.29Å; C650-L654 WeakPolarHBondContact O-CG 3.03Å; C650-L654 PolarHBondContact O-N 2.61Å; C650-F762 HydrophobicContact CB-CD2 4.32Å; C650-F762 HydrophobicContact CB-CE2 4.14Å; C650-W823 HydrophobicContact CB-CZ3 4.2Å; C650-T827 PolarHBondContact SG-OG1 3.48Å
651I95.1Very high94.7Very high4 Ų48.6 Ų8.62%0.0214%0.042CC..Hα-helixtrans-58.9-42173.5-65.7169.5000111.5Y466 M647 T649 V653 L654 N655 V754 L759 F762Y466-I651 HydrophobicContact CD1-CD1 4.3Å; Y466-I651 HydrophobicContact CE1-CD1 3.61Å; M647-I651 WeakPolarHBondContact O-CG1 3.09Å; M647-I651 PolarHBondContact O-N 3.28Å; T649-I651 VanDerWaalsContact C-N 3.34Å; T649-I651 PolarHBondContact O-N 2.95Å; I651-V653 PolarHBondContact O-N 3.12Å; I651-L654 PolarHBondContact O-N 3.4Å; I651-N655 WeakPolarHBondContact O-CB 3.35Å; I651-N655 PolarHBondContact O-N 3.4Å; I651-V754 HydrophobicContact CG2-CG1 4.28Å; I651-L759 HydrophobicContact CG2-CD2 3.96Å; I651-F762 HydrophobicContact CD1-CD1 4.17Å; I651-F762 HydrophobicContact CD1-CD2 4.16Å; I651-F762 HydrophobicContact CD1-CE1 4.3Å; I651-F762 HydrophobicContact CD1-CE2 4.26Å; I651-F762 HydrophobicContact CD1-CG 4.11Å; I651-F762 HydrophobicContact CD1-CZ 4.34Å; I651-F762 HydrophobicContact CG1-CB 4.06Å; I651-F762 HydrophobicContact CG1-CD1 4.14Å; I651-F762 HydrophobicContact CG1-CD2 3.37Å; I651-F762 HydrophobicContact CG1-CE2 3.8Å; I651-F762 HydrophobicContact CG1-CG 3.56Å; I651-F762 HydrophobicContact CG1-CZ 4.36Å
652S94.9Very high94.6Very high3 Ų39.1 Ų9.12%0.0214%0.043CC..Hα-helixtrans-63.2-41.2-179.9126.30000112.1R648 T649 C650 Y656 I743R648-S652 PolarHBondContact O-N 2.81Å; R648-S652 VanDerWaalsContact O-N 3.11Å; T649-S652 WeakPolarHBondContact O-CB 3.16Å; T649-S652 PolarHBondContact O-N 3.14Å; T649-S652 VanDerWaalsContact O-N 3.07Å; C650-S652 VanDerWaalsContact C-N 3.31Å; C650-S652 PolarHBondContact O-N 3.44Å; S652-Y656 PolarHBondContact O-N 2.87Å; S652-Y656 VanDerWaalsContact O-N 3.07Å; S652-I743 VanDerWaalsContact CB-O 3.27Å; S652-I743 WeakPolarHBondContact CB-O 3.49Å; S652-I743 PolarHBondContact OG-N 3.39Å; S652-I743 PolarHBondContact OG-O 3.12Å
653V96.3Very high94.3Very high5 Ų57.7 Ų7.73%0.034%0.038CC..Hα-helixtrans-74-40.2177.4175.30000112.6T649 C650 I651 N655 Y656 F657 I743 Q830 K834T649-V653 PolarHBondContact O-N 3.12Å; C650-V653 PolarHBondContact O-N 2.79Å; I651-V653 PolarHBondContact O-N 3.12Å; V653-N655 VanDerWaalsContact C-N 3.3Å; V653-N655 PolarHBondContact O-N 3.45Å; V653-Y656 WeakPolarHBondContact O-CB 3.08Å; V653-Y656 PolarHBondContact O-N 3.21Å; V653-F657 HydrophobicContact CG1-CD2 4.14Å; V653-F657 HydrophobicContact CG1-CE1 4.27Å; V653-F657 HydrophobicContact CG1-CE2 3.48Å; V653-F657 VanDerWaalsContact CG1-CE2 3.48Å; V653-F657 HydrophobicContact CG1-CZ 3.55Å; V653-F657 PolarHBondContact O-N 3.13Å; V653-I743 HydrophobicContact CG2-CG2 4.15Å; V653-Q830 HydrophobicContact CB-CB 4.39Å; V653-Q830 HydrophobicContact CG1-CB 3.95Å; V653-K834 HydrophobicContact CG1-CB 3.99Å
654L96.2Very high94.2Very high20 Ų207.8 Ų7.811%0.1054%0.039CC..Hα-helixtrans-61.7-40.6174-70.3170.5000111.4C650 I651 F657 R658 A758 D761 F762 L765C650-L654 WeakPolarHBondContact O-CB 3.29Å; C650-L654 VanDerWaalsContact O-CG 3.29Å; C650-L654 WeakPolarHBondContact O-CG 3.03Å; C650-L654 PolarHBondContact O-N 2.61Å; I651-L654 PolarHBondContact O-N 3.4Å; L654-F657 PolarHBondContact O-N 3.48Å; L654-R658 PolarHBondContact O-N 2.81Å; L654-A758 HydrophobicContact CB-CB 4.5Å; L654-D761 HydrophobicContact CD1-CB 4.24Å; L654-D761 HydrophobicContact CD2-CB 4.36Å; L654-F762 HydrophobicContact CD1-CB 3.97Å; L654-F762 HydrophobicContact CD1-CD2 4.3Å; L654-L765 HydrophobicContact CD1-CD2 4.2Å
655N96.2Very high93.9Very high4 Ų48 Ų82%0.0214%0.04CC..Hα-helixtrans-63.1-39.5174.1-173.952.1000112.7I651 V653 R658 S659 V745 I753 V754 Y755 A758I651-N655 WeakPolarHBondContact O-CB 3.35Å; I651-N655 PolarHBondContact O-N 3.4Å; V653-N655 VanDerWaalsContact C-N 3.3Å; V653-N655 PolarHBondContact O-N 3.45Å; N655-R658 PolarHBondContact O-N 3.46Å; N655-S659 WeakPolarHBondContact O-CB 3.43Å; N655-S659 PolarHBondContact O-N 2.82Å; N655-V745 WeakPolarHBondContact ND2-CG2 3.49Å; N655-I753 PolarHBondContact ND2-O 3.39Å; N655-V754 HydrophobicContact CB-CG1 4.45Å; N655-V754 WeakPolarHBondContact OD1-CA 3.33Å; N655-Y755 WeakPolarHBondContact OD1-CD2 3.4Å; N655-Y755 PolarHBondContact OD1-N 3.31Å; N655-A758 HydrophobicContact CB-CB 4.06Å
656Y96.1Very high93.4Very high0 Ų08.2 Ų8.20%04%0.041CC..Hα-helixtrans-60.2-46.8172.1178.9-129.3000111.5S652 V653 R658 S659 I660 Y736 I743 K834 M837 D838 N935S652-Y656 PolarHBondContact O-N 2.87Å; S652-Y656 VanDerWaalsContact O-N 3.07Å; V653-Y656 WeakPolarHBondContact O-CB 3.08Å; V653-Y656 PolarHBondContact O-N 3.21Å; Y656-R658 PolarHBondContact O-N 2.78Å; Y656-S659 WeakPolarHBondContact O-CB 3.42Å; Y656-S659 PolarHBondContact O-N 2.74Å; Y656-I660 HydrophobicContact CD1-CD1 3.86Å; Y656-I660 HydrophobicContact CD2-CD1 4.06Å; Y656-I660 HydrophobicContact CD2-CG1 4.21Å; Y656-I660 HydrophobicContact CE1-CD1 3.54Å; Y656-I660 HydrophobicContact CE2-CD1 3.73Å; Y656-I660 HydrophobicContact CE2-CG1 3.86Å; Y656-I660 HydrophobicContact CG-CD1 4.12Å; Y656-I660 VanDerWaalsContact CZ-CD1 3.47Å; Y656-I660 WeakPolarHBondContact O-CG1 3.44Å; Y656-I660 PolarHBondContact O-N 2.92Å; Y656-Y736 AromaticContact CD2-CD1 3.5Å; Y656-Y736 HydrophobicContact CD2-CD1 3.5Å; Y656-Y736 HydrophobicContact CD2-CD2 4.49Å; Y656-Y736 AromaticContact CD2-CE1 3.57Å; Y656-Y736 HydrophobicContact CD2-CE1 3.57Å; Y656-Y736 AromaticContact CD2-CG 3.99Å; Y656-Y736 HydrophobicContact CD2-CG 3.99Å; Y656-Y736 AromaticContact CE2-CD1 3.49Å; Y656-Y736 HydrophobicContact CE2-CD1 3.49Å; Y656-Y736 VanDerWaalsContact CE2-CD1 3.49Å; Y656-Y736 AromaticContact CE2-CD2 3.65Å; Y656-Y736 HydrophobicContact CE2-CD2 3.65Å; Y656-Y736 AromaticContact CE2-CE1 3.59Å; Y656-Y736 HydrophobicContact CE2-CE1 3.59Å; Y656-Y736 AromaticContact CE2-CE2 3.76Å; Y656-Y736 HydrophobicContact CE2-CE2 3.76Å; Y656-Y736 AromaticContact CE2-CG 3.51Å; Y656-Y736 HydrophobicContact CE2-CG 3.51Å; Y656-Y736 AromaticContact CE2-CZ 3.72Å; Y656-I743 HydrophobicContact CD1-CD1 3.74Å; Y656-I743 HydrophobicContact CD2-CD1 3.66Å; Y656-I743 HydrophobicContact CD2-CG1 4.36Å; Y656-I743 HydrophobicContact CE1-CD1 3.83Å; Y656-I743 HydrophobicContact CE2-CD1 3.77Å; Y656-I743 HydrophobicContact CG-CD1 3.65Å; Y656-I743 HydrophobicContact CG-CG1 4.31Å; Y656-I743 HydrophobicContact CG-CG2 4.43Å; Y656-K834 HydrophobicContact CD1-CG 3.79Å; Y656-K834 HydrophobicContact CE1-CG 3.94Å; Y656-M837 HydrophobicContact CE1-CG 4.33Å; Y656-D838 PolarHBondContact OH-OD1 2.95Å; Y656-N935 PolarHBondContact OH-ND2 3.38Å; Y656-N935 VanDerWaalsContact OH-ND2 3.17Å; Y656-N935 PolarHBondContact OH-OD1 2.97Å
657F96.9Very high92.7Very high9 Ų98.7 Ų8.74%0.0394%0.044CC..Hα-helixtrans-62.6-40.5177.3-62.7-31.4000113.1V653 L654 I660 E661 K833 K834 M837 M864V653-F657 HydrophobicContact CG1-CD2 4.14Å; V653-F657 HydrophobicContact CG1-CE1 4.27Å; V653-F657 HydrophobicContact CG1-CE2 3.48Å; V653-F657 VanDerWaalsContact CG1-CE2 3.48Å; V653-F657 HydrophobicContact CG1-CZ 3.55Å; V653-F657 PolarHBondContact O-N 3.13Å; L654-F657 PolarHBondContact O-N 3.48Å; F657-I660 HydrophobicContact CD1-CD1 4.23Å; F657-I660 PolarHBondContact O-N 3.25Å; F657-E661 WeakPolarHBondContact O-CB 3.47Å; F657-E661 PolarHBondContact O-N 3.08Å; F657-K833 HydrophobicContact CE2-CB 4.49Å; F657-K833 HydrophobicContact CZ-CB 3.91Å; F657-K834 HydrophobicContact CE1-CB 4.37Å; F657-K834 HydrophobicContact CZ-CB 4.26Å; F657-M837 HydrophobicContact CD1-CE 4.4Å; F657-M837 HydrophobicContact CD1-CG 4.33Å; F657-M837 HydrophobicContact CE1-CB 4.04Å; F657-M837 HydrophobicContact CE1-CE 4.38Å; F657-M837 HydrophobicContact CE1-CG 4.1Å; F657-M864 HydrophobicContact CB-CB 4.39Å; F657-M864 HydrophobicContact CB-CG 3.99Å; F657-M864 HydrophobicContact CB-SD 4.3Å; F657-M864 HydrophobicContact CD1-CG 4.13Å; F657-M864 HydrophobicContact CG-CB 4.43Å; F657-M864 HydrophobicContact CG-CG 4.06Å
658R95.3Very high92Very high28 Ų288.9 Ų8.911%0.1065%0.045CC..Hα-helixtrans-65.9-35.1174.4-74.1-64.4-172.4-169.7-6.3113.2W496 L654 N655 Y656 E661 R662 Y755 A758 D761 Y865W496-R658 HydrophobicContact CZ2-CB 4.35Å; W496-R658 WeakPolarHBondContact CZ2-O 3.33Å; L654-R658 PolarHBondContact O-N 2.81Å; N655-R658 PolarHBondContact O-N 3.46Å; Y656-R658 PolarHBondContact O-N 2.78Å; R658-E661 WeakPolarHBondContact CD-OE2 3.4Å; R658-E661 IonicContact CZ-OE2 3.89Å; R658-E661 IonicContact NE-OE2 3.29Å; R658-E661 VanDerWaalsContact NH1-CD 3.29Å; R658-E661 IonicContact NH1-OE1 2.69Å; R658-E661 PolarHBondContact NH1-OE1 3.19Å; R658-E661 VanDerWaalsContact NH1-OE1 3.12Å; R658-E661 IonicContact NH1-OE2 3.64Å; R658-E661 PolarHBondContact NH1-OE2 3.1Å; R658-E661 PolarHBondContact O-N 3.47Å; R658-R662 PolarHBondContact O-N 3.46Å; R658-Y755 HydrophobicContact CB-CD2 4.32Å; R658-A758 HydrophobicContact CB-CB 4.45Å; R658-A758 HydrophobicContact CG-CB 4.11Å; R658-D761 WeakPolarHBondContact CG-OD2 3.3Å; R658-D761 IonicContact CZ-OD1 2.96Å; R658-D761 IonicContact CZ-OD2 3.32Å; R658-D761 IonicContact NE-OD1 2.72Å; R658-D761 IonicContact NE-OD2 3.57Å; R658-D761 PolarHBondContact NE-OD2 3.25Å; R658-D761 IonicContact NH2-OD1 2.87Å; R658-D761 PolarHBondContact NH2-OD1 3.14Å; R658-D761 IonicContact NH2-OD2 3.52Å; R658-D761 PolarHBondContact NH2-OD2 3.19Å; R658-Y865 PolarHBondContact NH1-OH 3.43Å
659S94.7Very high91.1Very high0 Ų08.9 Ų8.90%05%0.045CC..Hα-helixtrans-65.6-42.7172.8-174.40000112.1N655 Y656 R662 T663 D734 Y736N655-S659 WeakPolarHBondContact O-CB 3.43Å; N655-S659 PolarHBondContact O-N 2.82Å; Y656-S659 WeakPolarHBondContact O-CB 3.42Å; Y656-S659 PolarHBondContact O-N 2.74Å; S659-R662 WeakPolarHBondContact O-CB 3.24Å; S659-R662 PolarHBondContact O-N 3.05Å; S659-T663 PolarHBondContact O-N 2.94Å; S659-T663 VanDerWaalsContact O-N 3.09Å; S659-D734 WeakPolarHBondContact OG-CB 3.5Å; S659-D734 PolarHBondContact OG-OD2 3.2Å; S659-Y736 WeakPolarHBondContact OG-CE1 3.45Å; S659-Y736 PolarHBondContact OG-OH 3.24Å
660I94.1Very high90Very high3 Ų38.8 Ų8.82%0.0155%0.047CC..Hα-helixtrans-63.5-44171.9-58.8156.7000110.7Y656 F657 R662 T663 L664 M837 V841 M860 M864Y656-I660 HydrophobicContact CD1-CD1 3.86Å; Y656-I660 HydrophobicContact CD2-CD1 4.06Å; Y656-I660 HydrophobicContact CD2-CG1 4.21Å; Y656-I660 HydrophobicContact CE1-CD1 3.54Å; Y656-I660 HydrophobicContact CE2-CD1 3.73Å; Y656-I660 HydrophobicContact CE2-CG1 3.86Å; Y656-I660 HydrophobicContact CG-CD1 4.12Å; Y656-I660 VanDerWaalsContact CZ-CD1 3.47Å; Y656-I660 WeakPolarHBondContact O-CG1 3.44Å; Y656-I660 PolarHBondContact O-N 2.92Å; F657-I660 HydrophobicContact CD1-CD1 4.23Å; F657-I660 PolarHBondContact O-N 3.25Å; I660-R662 VanDerWaalsContact C-N 3.3Å; I660-R662 PolarHBondContact O-N 3.05Å; I660-T663 CarbonylContact O-C 3.59Å; I660-T663 PolarHBondContact O-N 2.85Å; I660-T663 VanDerWaalsContact O-N 3.12Å; I660-L664 HydrophobicContact CG2-CD1 4.14Å; I660-L664 HydrophobicContact CG2-CG 4.05Å; I660-L664 WeakPolarHBondContact O-CG 3.44Å; I660-L664 PolarHBondContact O-N 3.27Å; I660-M837 HydrophobicContact CD1-CG 3.49Å; I660-M837 VanDerWaalsContact CD1-CG 3.49Å; I660-M837 HydrophobicContact CD1-SD 4.13Å; I660-V841 HydrophobicContact CD1-CG2 3.93Å; I660-V841 HydrophobicContact CG1-CG2 4.13Å; I660-V841 HydrophobicContact CG2-CG2 4.09Å; I660-M860 HydrophobicContact CG2-CE 3.8Å; I660-M864 HydrophobicContact CB-CE 3.81Å; I660-M864 HydrophobicContact CG2-CE 3.45Å; I660-M864 VanDerWaalsContact CG2-CE 3.45Å
661E94Very high88.9Confident8 Ų89.5 Ų9.54%0.0375%0.051CC..Hα-helixtrans-59.6-38.2178.2-170.2-168.9-118.200112.1I500 F657 R658 T665 M864 Y865I500-E661 HydrophobicContact CD1-CG 4.24Å; I500-E661 WeakPolarHBondContact CD1-OE2 3.5Å; F657-E661 WeakPolarHBondContact O-CB 3.47Å; F657-E661 PolarHBondContact O-N 3.08Å; R658-E661 WeakPolarHBondContact CD-OE2 3.4Å; R658-E661 IonicContact CZ-OE2 3.89Å; R658-E661 IonicContact NE-OE2 3.29Å; R658-E661 VanDerWaalsContact NH1-CD 3.29Å; R658-E661 IonicContact NH1-OE1 2.69Å; R658-E661 PolarHBondContact NH1-OE1 3.19Å; R658-E661 VanDerWaalsContact NH1-OE1 3.12Å; R658-E661 IonicContact NH1-OE2 3.64Å; R658-E661 PolarHBondContact NH1-OE2 3.1Å; R658-E661 PolarHBondContact O-N 3.47Å; E661-T665 VanDerWaalsContact O-CB 3.29Å; E661-T665 WeakPolarHBondContact O-CB 3.27Å; E661-T665 PolarHBondContact O-N 2.87Å; E661-T665 PolarHBondContact O-OG1 3.23Å; E661-M864 HydrophobicContact CB-SD 4.25Å; E661-Y865 PolarHBondContact OE1-OH 2.89Å
662R91Very high87.5Confident11 Ų1111.7 Ų11.74%0.0427%0.066CC..Hα-helixtrans-57.4-56.1168.8173.6-172.3150.2-165.1-11.9110.9W496 R658 S659 I660 L664 T665 I666 H732 D734 Y755W496-R662 HydrophobicContact CD2-CB 3.6Å; W496-R662 HydrophobicContact CD2-CG 3.86Å; W496-R662 HydrophobicContact CE3-CB 3.79Å; W496-R662 HydrophobicContact CE3-CG 3.69Å; W496-R662 HydrophobicContact CG-CB 4.16Å; W496-R662 HydrophobicContact CG-CG 4.33Å; W496-R662 HydrophobicContact CH2-CB 4.03Å; W496-R662 HydrophobicContact CZ2-CB 3.87Å; W496-R662 HydrophobicContact CZ3-CB 3.99Å; W496-R662 HydrophobicContact CZ3-CG 4.08Å; R658-R662 PolarHBondContact O-N 3.46Å; S659-R662 WeakPolarHBondContact O-CB 3.24Å; S659-R662 PolarHBondContact O-N 3.05Å; I660-R662 VanDerWaalsContact C-N 3.3Å; I660-R662 PolarHBondContact O-N 3.05Å; R662-L664 VanDerWaalsContact C-N 3.33Å; R662-L664 PolarHBondContact O-N 3.08Å; R662-T665 PolarHBondContact O-N 3.25Å; R662-T665 VanDerWaalsContact O-N 3.12Å; R662-I666 HydrophobicContact CG-CD1 3.77Å; R662-I666 WeakPolarHBondContact O-CG1 3.37Å; R662-I666 PolarHBondContact O-N 3.4Å; R662-H732 PolarHBondContact NH2-O 3.07Å; R662-D734 IonicContact CZ-OD1 3.83Å; R662-D734 IonicContact CZ-OD2 2.78Å; R662-D734 VanDerWaalsContact NH1-CG 3.33Å; R662-D734 IonicContact NH1-OD1 2.68Å; R662-D734 PolarHBondContact NH1-OD1 3.35Å; R662-D734 IonicContact NH1-OD2 3.67Å; R662-D734 PolarHBondContact NH1-OD2 3Å; R662-D734 IonicContact NH2-OD1 2.62Å; R662-D734 PolarHBondContact NH2-OD1 3.47Å; R662-Y755 WeakPolarHBondContact CD-OH 3.25Å; R662-Y755 PolarHBondContact NH1-OH 2.93Å
663T89.2Confident85.8Confident13 Ų1315.3 Ų15.38%0.088%0.084CC..Hα-helixtrans-58.2-42.6179.8-800000111.7S659 I660 N667 D733S659-T663 PolarHBondContact O-N 2.94Å; S659-T663 VanDerWaalsContact O-N 3.09Å; I660-T663 CarbonylContact O-C 3.59Å; I660-T663 PolarHBondContact O-N 2.85Å; I660-T663 VanDerWaalsContact O-N 3.12Å; T663-N667 VanDerWaalsContact O-CB 3.3Å; T663-N667 WeakPolarHBondContact O-CB 3.42Å; T663-N667 PolarHBondContact O-N 3.33Å; T663-N667 PolarHBondContact O-ND2 3.49Å; T663-D733 WeakPolarHBondContact CB-OD1 3.21Å; T663-D733 WeakPolarHBondContact CG2-OD1 3.34Å; T663-D733 PolarHBondContact OG1-OD1 2.84Å
664L90Very high83.7Confident3 Ų317.2 Ų17.22%0.0169%0.094CC..Hα-helixtrans-62.8-43.4174.3-67.9-176.4000111.7I660 R662 N667 D668 Y844 A857 M860 M864I660-L664 HydrophobicContact CG2-CD1 4.14Å; I660-L664 HydrophobicContact CG2-CG 4.05Å; I660-L664 WeakPolarHBondContact O-CG 3.44Å; I660-L664 PolarHBondContact O-N 3.27Å; R662-L664 VanDerWaalsContact C-N 3.33Å; R662-L664 PolarHBondContact O-N 3.08Å; L664-N667 PolarHBondContact O-N 2.82Å; L664-D668 WeakPolarHBondContact O-CB 3.34Å; L664-D668 PolarHBondContact O-N 3.49Å; L664-Y844 HydrophobicContact CD2-CD1 4.39Å; L664-Y844 HydrophobicContact CD2-CD2 4Å; L664-Y844 HydrophobicContact CD2-CE1 3.88Å; L664-Y844 HydrophobicContact CD2-CE2 3.42Å; L664-Y844 VanDerWaalsContact CD2-CE2 3.42Å; L664-Y844 HydrophobicContact CD2-CG 4.45Å; L664-A857 HydrophobicContact CD1-CB 4.21Å; L664-A857 HydrophobicContact CD2-CB 3.87Å; L664-A857 HydrophobicContact CG-CB 4.5Å; L664-M860 HydrophobicContact CD1-CB 4.14Å; L664-M860 HydrophobicContact CD1-CE 4.28Å; L664-M860 HydrophobicContact CD2-CE 4.17Å; L664-M860 HydrophobicContact CD2-SD 4.3Å; L664-M864 HydrophobicContact CD1-CE 3.8Å
665T87Confident81.4Confident8 Ų822.3 Ų22.35%0.04913%0.131CC..Hα-helixtrans-66.7-41.7-179.1-57.40000111.8W496 F499 I500 E661 R662 D668 Q669 L671W496-T665 HydrophobicContact CB-CG2 4.39Å; F499-T665 HydrophobicContact CB-CG2 3.91Å; I500-T665 HydrophobicContact CG1-CG2 4.19Å; E661-T665 VanDerWaalsContact O-CB 3.29Å; E661-T665 WeakPolarHBondContact O-CB 3.27Å; E661-T665 PolarHBondContact O-N 2.87Å; E661-T665 PolarHBondContact O-OG1 3.23Å; R662-T665 PolarHBondContact O-N 3.25Å; R662-T665 VanDerWaalsContact O-N 3.12Å; T665-D668 PolarHBondContact O-N 2.65Å; T665-Q669 WeakPolarHBondContact O-CB 3.49Å; T665-Q669 PolarHBondContact O-N 3.22Å; T665-L671 HydrophobicContact CG2-CD1 4.15Å
666I81.9Confident79.2Confident20 Ų2029 Ų2910%0.10316%0.161CC..Hα-helixtrans-60.2-51.5173.2-67.7168.3000110.2R662 D668 G670 L671R662-I666 HydrophobicContact CG-CD1 3.77Å; R662-I666 WeakPolarHBondContact O-CG1 3.37Å; R662-I666 PolarHBondContact O-N 3.4Å; I666-D668 VanDerWaalsContact C-N 3.3Å; I666-D668 PolarHBondContact O-N 3.43Å; I666-G670 PolarHBondContact O-N 3.26Å; I666-L671 HydrophobicContact CG1-CB 4.46Å; I666-L671 HydrophobicContact CG1-CD1 4.42Å; I666-L671 HydrophobicContact CG2-CB 4.49Å; I666-L671 PolarHBondContact O-N 3.48Å
667N80.9Confident77Confident22 Ų2231.1 Ų31.112%0.11818%0.182CC..Hα-helixtrans-68.9-20.8-179.3-82.1-86.5000114.2T663 L664 Q685 Y844 R853T663-N667 VanDerWaalsContact O-CB 3.3Å; T663-N667 WeakPolarHBondContact O-CB 3.42Å; T663-N667 PolarHBondContact O-N 3.33Å; T663-N667 PolarHBondContact O-ND2 3.49Å; L664-N667 PolarHBondContact O-N 2.82Å; N667-Q685 VanDerWaalsContact O-CD 3.29Å; N667-Q685 PolarHBondContact O-NE2 3.13Å; N667-Q685 PolarHBondContact O-OE1 2.82Å; N667-Q685 VanDerWaalsContact O-OE1 3.14Å; N667-Y844 WeakPolarHBondContact CB-OH 3.49Å; N667-R853 PolarHBondContact OD1-NH2 2.87Å
668D79.2Confident75.1Confident7 Ų732.1 Ų32.14%0.03720%0.195CC..Hα-helixtrans-95.9-32.3-178.8-174.569.1000113.3L664 T665 I666 Q685 H687 R854L664-D668 WeakPolarHBondContact O-CB 3.34Å; L664-D668 PolarHBondContact O-N 3.49Å; T665-D668 PolarHBondContact O-N 2.65Å; I666-D668 VanDerWaalsContact C-N 3.3Å; I666-D668 PolarHBondContact O-N 3.43Å; D668-Q685 PolarHBondContact O-OE1 3.26Å; D668-H687 PolarHBondContact O-NE2 3.14Å; D668-H687 IonicContact OD1-CE1 3.78Å; D668-H687 PolarHBondContact OD1-CE1 3.28Å; D668-H687 IonicContact OD1-NE2 3.17Å; D668-H687 PolarHBondContact OD1-NE2 3.31Å; D668-R854 IonicContact OD1-CZ 3.58Å; D668-R854 IonicContact OD1-NH1 2.68Å; D668-R854 PolarHBondContact OD1-NH1 3.36Å; D668-R854 IonicContact OD2-CZ 2.81Å; D668-R854 IonicContact OD2-NH1 2.72Å; D668-R854 PolarHBondContact OD2-NH1 3.06Å
669Q74Confident73.6Confident3 Ų332 Ų321%0.01420%0.197CC..Hα-helixtrans-98.2-13.8-179-64.9-56-59.400114F499 T665 L671 R681F499-Q669 HydrophobicContact CB-CG 4.49Å; F499-Q669 WeakPolarHBondContact O-CG 3.37Å; T665-Q669 WeakPolarHBondContact O-CB 3.49Å; T665-Q669 PolarHBondContact O-N 3.22Å; Q669-L671 HydrophobicContact CB-CD1 4.3Å; Q669-L671 HydrophobicContact CB-CD2 3.85Å; Q669-L671 HydrophobicContact CB-CG 3.88Å; Q669-R681 WeakPolarHBondContact O-CG 3.2Å; Q669-R681 PolarHBondContact O-NE 2.95Å; Q669-R681 VanDerWaalsContact OE1-CZ 3.28Å
670G71.6Confident72.1Confident13 Ų1337.3 Ų37.313%0.13422%0.222CC..THydrogen-bonded Turntrans71.950.3-178.900000112.2I666 T682 S683I666-G670 PolarHBondContact O-N 3.26Å; G670-T682 PolarHBondContact O-N 2.93Å; G670-S683 WeakPolarHBondContact CA-O 3.12Å; G670-S683 PolarHBondContact O-N 2.87Å; G670-S683 VanDerWaalsContact O-N 3.16Å
671L72.4Confident70.5Confident15 Ų1540.7 Ų40.78%0.07924%0.235CC..  trans-87.7145.3-178.3-51.3177.3000110.5F499 T665 I666 Q669 V679 E680 R681F499-L671 HydrophobicContact CB-CD1 3.93Å; F499-L671 HydrophobicContact CD1-CD2 4.03Å; F499-L671 HydrophobicContact CD2-CD1 4Å; F499-L671 HydrophobicContact CE1-CD2 4.39Å; F499-L671 HydrophobicContact CG-CD1 3.96Å; F499-L671 HydrophobicContact CG-CD2 4.11Å; T665-L671 HydrophobicContact CG2-CD1 4.15Å; I666-L671 HydrophobicContact CG1-CB 4.46Å; I666-L671 HydrophobicContact CG1-CD1 4.42Å; I666-L671 HydrophobicContact CG2-CB 4.49Å; I666-L671 PolarHBondContact O-N 3.48Å; Q669-L671 HydrophobicContact CB-CD1 4.3Å; Q669-L671 HydrophobicContact CB-CD2 3.85Å; Q669-L671 HydrophobicContact CB-CG 3.88Å; L671-V679 HydrophobicContact CB-CG1 3.7Å; L671-V679 HydrophobicContact CD1-CG1 3.74Å; L671-V679 HydrophobicContact CD2-CG1 4.31Å; L671-V679 HydrophobicContact CG-CG1 4.1Å; L671-E680 WeakPolarHBondContact CA-O 3.48Å; L671-R681 HydrophobicContact CD2-CB 3.83Å; L671-R681 HydrophobicContact CD2-CG 3.95Å
672S64.9Low68.7Low50 Ų5043.3 Ų43.335%0.3525%0.251SS..EExtended strand (participates in β ladder)trans-127.6153.4165.265.80000111.1E680 T682S672-E680 PolarHBondContact N-O 3.03Å; S672-E680 PolarHBondContact O-N 3.25Å; S672-T682 PolarHBondContact OG-OG1 3.33Å
673M60.2Low66.9Low79 Ų7944.5 Ų44.539%0.38926%0.261SS..EExtended strand (participates in β ladder)trans-75.1122.9168.4-65-60.2-60.400109.1G677 V679M673-G677 WeakPolarHBondContact CE-O 3.32Å; M673-V679 HydrophobicContact SD-CG2 3.96Å
674N52.8Low65.2Low45 Ų4546.3 Ų46.324%0.24127%0.273CS..  trans-86.2162169.170.533.3000110.8K676 G677 G678 E680N674-K676 PolarHBondContact O-N 3.11Å; N674-K676 WeakPolarHBondContact OD1-CB 3.11Å; N674-K676 PolarHBondContact OD1-N 3.31Å; N674-G677 PolarHBondContact O-N 3.45Å; N674-G678 VanDerWaalsContact CG-O 3.28Å; N674-G678 PolarHBondContact N-O 3.07Å; N674-G678 WeakPolarHBondContact OD1-CA 3.29Å; N674-G678 PolarHBondContact OD1-N 3.01Å; N674-G678 VanDerWaalsContact OD1-N 3.07Å; N674-G678 PolarHBondContact OD1-O 3.02Å; N674-E680 PolarHBondContact ND2-OE2 3.43Å; N674-E680 VanDerWaalsContact ND2-OE2 3.07Å
675S46.9Very low63.5Low127 Ų12749 Ų4989%0.88829%0.286SS*.THydrogen-bonded Turntrans-65.30.6-175.856.50000115.3
676K49.9Very low61.9Low146 Ų14650.9 Ų50.964%0.63530%0.296SS*.THydrogen-bonded Turntrans-97.7-2.6172.6-54.3178.7-179.3177.50113N674 G678 H1969N674-K676 PolarHBondContact O-N 3.11Å; N674-K676 WeakPolarHBondContact OD1-CB 3.11Å; N674-K676 PolarHBondContact OD1-N 3.31Å; K676-G678 VanDerWaalsContact C-N 3.3Å; K676-H1969 PolarHBondContact O-NE2 2.72Å
677G51Low60.9Low44 Ų4450.1 Ų50.145%0.45429%0.292SS..SBendtrans82.13.7-172.100000114.3M673 N674M673-G677 WeakPolarHBondContact CE-O 3.32Å; N674-G677 PolarHBondContact O-N 3.45Å
678G56.1Low59.6Low30 Ų3051 Ų5131%0.30929%0.293SS..  trans-81.4148.2174.500000111.6N674 K676N674-G678 VanDerWaalsContact CG-O 3.28Å; N674-G678 PolarHBondContact N-O 3.07Å; N674-G678 WeakPolarHBondContact OD1-CA 3.29Å; N674-G678 PolarHBondContact OD1-N 3.01Å; N674-G678 VanDerWaalsContact OD1-N 3.07Å; N674-G678 PolarHBondContact OD1-O 3.02Å; K676-G678 VanDerWaalsContact C-N 3.3Å
679V63.9Low58.4Low26 Ų2654.7 Ų54.716%0.15832%0.316CS..EExtended strand (participates in β ladder)trans-90124.8173-1730000108.2N495 F499 L671 M673N495-V679 HydrophobicContact CB-CG2 4.32Å; N495-V679 VanDerWaalsContact ND2-CG2 3.34Å; N495-V679 WeakPolarHBondContact ND2-CG2 3.04Å; F499-V679 HydrophobicContact CD2-CG1 4.34Å; F499-V679 HydrophobicContact CE2-CB 3.98Å; F499-V679 HydrophobicContact CE2-CG1 3.98Å; L671-V679 HydrophobicContact CB-CG1 3.7Å; L671-V679 HydrophobicContact CD1-CG1 3.74Å; L671-V679 HydrophobicContact CD2-CG1 4.31Å; L671-V679 HydrophobicContact CG-CG1 4.1Å; M673-V679 HydrophobicContact SD-CG2 3.96Å
680E62.5Low57.2Low110 Ų11056.2 Ų56.251%0.51433%0.332SS..EExtended strand (participates in β ladder)trans-127.2138-177.5-167.2168.8163.600111L671 S672 N674 T682L671-E680 WeakPolarHBondContact CA-O 3.48Å; S672-E680 PolarHBondContact N-O 3.03Å; S672-E680 PolarHBondContact O-N 3.25Å; N674-E680 PolarHBondContact ND2-OE2 3.43Å; N674-E680 VanDerWaalsContact ND2-OE2 3.07Å; E680-T682 VanDerWaalsContact C-N 3.35Å; E680-T682 PolarHBondContact O-N 2.8Å; E680-T682 PolarHBondContact O-OG1 3.34Å
681R60.5Low56.1Low75 Ų7556.4 Ų56.428%0.28333%0.331SS..  trans-84.776.3-175.9-168.1172.4-174.3-148.3-3.2111.5Q669 L671 S683Q669-R681 WeakPolarHBondContact O-CG 3.2Å; Q669-R681 PolarHBondContact O-NE 2.95Å; Q669-R681 VanDerWaalsContact OE1-CZ 3.28Å; L671-R681 HydrophobicContact CD2-CB 3.83Å; L671-R681 HydrophobicContact CD2-CG 3.95Å; R681-S683 PolarHBondContact O-N 2.92Å
682T55.9Low54.8Low62 Ų6257.1 Ų57.138%0.3833%0.334SS..  trans-67.9-33.6-172.7-53.50000113.4G670 S672 E680 K719G670-T682 PolarHBondContact O-N 2.93Å; S672-T682 PolarHBondContact OG-OG1 3.33Å; E680-T682 VanDerWaalsContact C-N 3.35Å; E680-T682 PolarHBondContact O-N 2.8Å; E680-T682 PolarHBondContact O-OG1 3.34Å; T682-K719 PolarHBondContact O-NZ 3.28Å
683S53.4Low54Low36 Ų3656 Ų5625%0.25233%0.331SS..SBendtrans-135.3101177.5-169.80000112G670 R681 Q685G670-S683 WeakPolarHBondContact CA-O 3.12Å; G670-S683 PolarHBondContact O-N 2.87Å; G670-S683 VanDerWaalsContact O-N 3.16Å; R681-S683 PolarHBondContact O-N 2.92Å; S683-Q685 PolarHBondContact O-N 2.89Å
684P54Low53.3Low52 Ų5255.2 Ų55.234%0.33833%0.326SS..  trans-65.3103.6176.9-20.232.9000111.1N686 F716P684-N686 PolarHBondContact O-N 3.02Å; P684-F716 HydrophobicContact CB-CZ 4.35Å; P684-F716 WeakPolarHBondContact O-CE1 3.45Å; P684-F716 WeakPolarHBondContact O-CZ 3.33Å
685Q54.1Low53Low59 Ų5954.9 Ų54.928%0.27633%0.325SS..  trans-62.6122.8-178.9-69.2-168.37.200112.3N667 D668 S683 H687N667-Q685 VanDerWaalsContact O-CD 3.29Å; N667-Q685 PolarHBondContact O-NE2 3.13Å; N667-Q685 PolarHBondContact O-OE1 2.82Å; N667-Q685 VanDerWaalsContact O-OE1 3.14Å; D668-Q685 PolarHBondContact O-OE1 3.26Å; S683-Q685 PolarHBondContact O-N 2.89Å; Q685-H687 WeakPolarHBondContact CB-NE2 3.31Å; Q685-H687 PolarHBondContact O-CD2 3.42Å; Q685-H687 PolarHBondContact O-N 2.92Å; Q685-H687 VanDerWaalsContact O-N 3.11Å; Q685-H687 PolarHBondContact OE1-CE1 3.48Å; Q685-H687 PolarHBondContact OE1-NE2 2.95Å
686N54.6Low53.2Low48 Ų4849.1 Ų49.126%0.25728%0.284SS..  trans-88.669.9-171.9-163.45.4000111.1P684 V705 Y708 R850P684-N686 PolarHBondContact O-N 3.02Å; N686-V705 WeakPolarHBondContact OD1-CG1 3.48Å; N686-Y708 WeakPolarHBondContact ND2-CD1 3.47Å; N686-R850 VanDerWaalsContact O-CZ 3.28Å; N686-R850 PolarHBondContact O-NH1 2.9Å
687H59.6Low53.2Low4 Ų442.9 Ų42.92%0.01926%0.257CS..  trans-72.4127.8-173.9-62.6-74.7000113.1D668 Q685 V689 V691 R854D668-H687 PolarHBondContact O-NE2 3.14Å; D668-H687 IonicContact OD1-CE1 3.78Å; D668-H687 PolarHBondContact OD1-CE1 3.28Å; D668-H687 IonicContact OD1-NE2 3.17Å; D668-H687 PolarHBondContact OD1-NE2 3.31Å; Q685-H687 WeakPolarHBondContact CB-NE2 3.31Å; Q685-H687 PolarHBondContact O-CD2 3.42Å; Q685-H687 PolarHBondContact O-N 2.92Å; Q685-H687 VanDerWaalsContact O-N 3.11Å; Q685-H687 PolarHBondContact OE1-CE1 3.48Å; Q685-H687 PolarHBondContact OE1-NE2 2.95Å; H687-V689 VanDerWaalsContact C-N 3.33Å; H687-V689 PolarHBondContact O-N 3.34Å; H687-V691 HydrophobicContact CB-CG2 3.81Å; H687-R854 PolarHBondContact CD2-NH1 2.96Å; H687-R854 WeakPolarHBondContact ND1-CD 3.24Å; H687-R854 PolarHBondContact NE2-NH1 3.36Å
688R55.2Low52.8Low40 Ų4041.6 Ų41.615%0.15124%0.238CC..SBendtrans-57.6-41172.6-81166.9-178.4151.3-1.3114D104 D851 E1608D104-R688 VanDerWaalsContact CG-NH2 3.27Å; D104-R688 IonicContact OD1-CZ 2.81Å; D104-R688 IonicContact OD1-NH1 3.62Å; D104-R688 IonicContact OD1-NH2 3.36Å; D104-R688 PolarHBondContact OD1-NH2 3.07Å; D104-R688 IonicContact OD2-CZ 3.94Å; D104-R688 VanDerWaalsContact OD2-CZ 3.3Å; D104-R688 IonicContact OD2-NH1 2.58Å; D104-R688 PolarHBondContact OD2-NH1 2.84Å; D104-R688 IonicContact OD2-NH2 2.67Å; D104-R688 PolarHBondContact OD2-NH2 2.7Å; R688-D851 VanDerWaalsContact CD-OD2 3.29Å; R688-D851 WeakPolarHBondContact CD-OD2 3.48Å; R688-D851 IonicContact CZ-OD2 3.91Å; R688-D851 IonicContact NE-OD2 3.5Å; R688-D851 IonicContact NH1-OD2 3.18Å; R688-D851 PolarHBondContact NH1-OD2 2.7Å; R688-E1608 WeakPolarHBondContact CG-OE1 3.25Å; R688-E1608 IonicContact CZ-OE1 2.81Å; R688-E1608 IonicContact NE-OE1 3.59Å; R688-E1608 PolarHBondContact NE-OE1 3.32Å; R688-E1608 IonicContact NH2-OE1 2.97Å; R688-E1608 PolarHBondContact NH2-OE1 3.07Å
689V53.1Low52.3Low85 Ų8542 Ų4252%0.51524%0.236SC..SBendtrans-88.5114.6-177.7-175.90000107.9H687 V691H687-V689 VanDerWaalsContact C-N 3.33Å; H687-V689 PolarHBondContact O-N 3.34Å; V689-V691 PolarHBondContact O-N 2.7Å
690G49.2Very low51.4Low34 Ų3441.3 Ų41.335%0.35123%0.234SC..  trans-41.7119.3-166.500000114.5D692G690-D692 VanDerWaalsContact C-N 3.31Å; G690-D692 PolarHBondContact O-N 3.39Å
691V47.2Very low50.6Low18 Ų1837.2 Ų37.211%0.10922%0.216CC..SBendtrans-64-39.6-172.9-175.50000111.7K501 H687 V689 R854 R1585K501-V691 HydrophobicContact CB-CG1 4.04Å; K501-V691 HydrophobicContact CD-CG1 3.53Å; K501-V691 HydrophobicContact CG-CG1 4.39Å; H687-V691 HydrophobicContact CB-CG2 3.81Å; V689-V691 PolarHBondContact O-N 2.7Å; V691-R854 PolarHBondContact O-NH2 3.41Å; V691-R1585 PolarHBondContact O-NH2 2.99Å
692D46.1Very low50Low29 Ų2934.1 Ų34.116%0.15521%0.206CC..  trans-119.791.5-173.8-76.1-63.3000110K501 G690 Q694 D695 R1786K501-D692 WeakPolarHBondContact CD-OD2 3.3Å; K501-D692 IonicContact NZ-OD1 2.72Å; K501-D692 IonicContact NZ-OD2 3.24Å; K501-D692 PolarHBondContact NZ-OD2 2.75Å; G690-D692 VanDerWaalsContact C-N 3.31Å; G690-D692 PolarHBondContact O-N 3.39Å; D692-Q694 PolarHBondContact O-N 3.03Å; D692-D695 PolarHBondContact O-N 3.05Å; D692-D695 VanDerWaalsContact O-N 3.13Å; D692-R1786 IonicContact OD1-CZ 2.75Å; D692-R1786 IonicContact OD1-NE 2.77Å; D692-R1786 IonicContact OD1-NH2 2.84Å; D692-R1786 PolarHBondContact OD1-NH2 3.38Å
693G48.6Very low49.6Very low27 Ų2731.5 Ų31.528%0.27819%0.189SC..THydrogen-bonded Turntrans-64.14179.800000115.7R1561G693-R1561 PolarHBondContact O-NH1 3.49Å
694Q44.2Very low49.3Very low63 Ų6333.5 Ų33.529%0.29420%0.197SC..THydrogen-bonded Turntrans-71.6-34.1170.1-68.3177.5-42.800111.8D692 N696 R1561D692-Q694 PolarHBondContact O-N 3.03Å; Q694-N696 PolarHBondContact O-N 3.47Å; Q694-R1561 VanDerWaalsContact C-NH1 3.33Å; Q694-R1561 PolarHBondContact O-NH1 3.29Å
695D48.2Very low48.8Very low38 Ų3832.8 Ų32.820%0.20319%0.191CC..SBendtrans-60.2136.4-176.3-74.3-24.2000111.1D692 Q697 S702 R1561D692-D695 PolarHBondContact O-N 3.05Å; D692-D695 VanDerWaalsContact O-N 3.13Å; D695-Q697 PolarHBondContact O-N 2.75Å; D695-S702 WeakPolarHBondContact OD2-CB 3.36Å; D695-S702 PolarHBondContact OD2-OG 2.75Å; D695-R1561 PolarHBondContact O-NH1 3.25Å
696N50.5Low48.3Very low5 Ų530.5 Ų30.53%0.02718%0.181CC..  trans-73-4.7179.6-73.6-89.1000112.8V64 L65 Q694 R1561 K1768 S1772V64-N696 CarbonylContact C-O 3.38Å; V64-N696 VanDerWaalsContact CA-O 3.25Å; V64-N696 WeakPolarHBondContact CA-O 3.21Å; V64-N696 HydrophobicContact CG1-CB 4.22Å; L65-N696 PolarHBondContact N-O 3.11Å; Q694-N696 PolarHBondContact O-N 3.47Å; N696-R1561 WeakPolarHBondContact OD1-CD 3.45Å; N696-K1768 HydrophobicContact CB-CG 4.07Å; N696-K1768 WeakPolarHBondContact OD1-CE 3.45Å; N696-K1768 VanDerWaalsContact OD1-CG 3.3Å; N696-K1768 WeakPolarHBondContact OD1-CG 3.26Å; N696-S1772 WeakPolarHBondContact CB-OG 3.44Å
697Q49.8Very low47.9Very low16 Ų1630.6 Ų30.68%0.07519%0.193CC..BIsolated β-bridgetrans-78.9147.3-170.1-77163.3-8.600112.1S61 Q63 D695 C699 S702S61-Q697 VanDerWaalsContact CA-NE2 3.32Å; S61-Q697 WeakPolarHBondContact O-CG 3.24Å; S61-Q697 PolarHBondContact O-NE2 2.97Å; Q63-Q697 WeakPolarHBondContact O-CA 3.39Å; D695-Q697 PolarHBondContact O-N 2.75Å; Q697-C699 VanDerWaalsContact C-N 3.34Å; Q697-C699 PolarHBondContact O-N 3.32Å; Q697-S702 VanDerWaalsContact OE1-CA 3.25Å
698R41.3Very low47.2Very low17 Ų1731.9 Ų31.96%0.06420%0.198CC..SBendtrans-83.5-9.5-164.6-163.4165.6-175.9-103.6-2.1114.3Q63 L65 N1593Q63-R698 HydrophobicContact CB-CB 4Å; Q63-R698 WeakPolarHBondContact O-CB 3.46Å; Q63-R698 PolarHBondContact O-N 3.38Å; L65-R698 HydrophobicContact CD2-CB 4.39Å; L65-R698 HydrophobicContact CD2-CG 4.24Å; R698-N1593 PolarHBondContact NE-OD1 2.84Å; R698-N1593 PolarHBondContact NH2-ND2 3.36Å
699C46Very low46.5Very low38 Ų3830 Ų3026%0.25719%0.191SC..SBendtrans-138.8163.1179.6-173.80000110.7Q697 N701 E1611Q697-C699 VanDerWaalsContact C-N 3.34Å; Q697-C699 PolarHBondContact O-N 3.32Å; C699-N701 VanDerWaalsContact C-N 3.3Å; C699-N701 PolarHBondContact O-N 2.64Å; C699-E1611 VanDerWaalsContact CB-OE1 3.29Å; C699-E1611 WeakPolarHBondContact CB-OE1 3.42Å; C699-E1611 WeakPolarHBondContact CB-OE2 3.08Å; C699-E1611 PolarHBondContact SG-OE1 2.84Å
700G45.5Very low46.3Very low11 Ų1127.4 Ų27.411%0.11317%0.172CC..SBendtrans-69.1-19-176.900000115.7S702G700-S702 PolarHBondContact O-N 2.9Å
701N45.5Very low45.8Very low25 Ų2528 Ų2813%0.13417%0.167CC..  trans-75.566.9174.5-63.540.3000110.1C699 Y708C699-N701 VanDerWaalsContact C-N 3.3Å; C699-N701 PolarHBondContact O-N 2.64Å; N701-Y708 PolarHBondContact ND2-OH 3.41Å
702S47.3Very low45.3Very low10 Ų1028.7 Ų28.77%0.0717%0.172CC..  trans-71.8157175.6108.40000110.5D695 Q697 G700 N704 V705D695-S702 WeakPolarHBondContact OD2-CB 3.36Å; D695-S702 PolarHBondContact OD2-OG 2.75Å; Q697-S702 VanDerWaalsContact OE1-CA 3.25Å; G700-S702 PolarHBondContact O-N 2.9Å; S702-N704 PolarHBondContact O-N 2.85Å; S702-V705 VanDerWaalsContact O-CB 3.31Å; S702-V705 WeakPolarHBondContact O-CB 3.05Å; S702-V705 WeakPolarHBondContact O-CG2 3.41Å; S702-V705 PolarHBondContact O-N 2.66Å
703L47.4Very low44.8Very low7 Ų731.3 Ų31.34%0.03719%0.191CC..THydrogen-bonded Turntrans-58.8-24.6-173.6-154.686.2000112.7V705 R1780 F1856L703-V705 VanDerWaalsContact C-N 3.3Å; L703-R1780 PolarHBondContact O-NH2 3.33Å; L703-F1856 HydrophobicContact CD2-CB 4.08Å; L703-F1856 HydrophobicContact CD2-CD1 3.25Å; L703-F1856 HydrophobicContact CD2-CD2 3.85Å; L703-F1856 HydrophobicContact CD2-CE1 3.45Å; L703-F1856 VanDerWaalsContact CD2-CE1 3.45Å; L703-F1856 HydrophobicContact CD2-CE2 4.04Å; L703-F1856 HydrophobicContact CD2-CG 3.46Å; L703-F1856 VanDerWaalsContact CD2-CG 3.46Å; L703-F1856 HydrophobicContact CD2-CZ 3.83Å
704N47.5Very low44.1Very low77 Ų7731.8 Ų31.841%0.41219%0.185SC..THydrogen-bonded Turntrans-71.6-23.3176.7-58.5-19.3000113.1S702 R1780S702-N704 PolarHBondContact O-N 2.85Å; N704-R1780 PolarHBondContact OD1-NH1 2.97Å; N704-R1780 PolarHBondContact OD1-NH2 3Å; N704-R1780 VanDerWaalsContact OD1-NH2 3.11Å
705V43.6Very low43.7Very low37 Ų3730.6 Ų30.622%0.22418%0.18CC..THydrogen-bonded Turntrans-78-27.7178.7-168.10000111.1N686 S702 L703 G707 Y708N686-V705 WeakPolarHBondContact OD1-CG1 3.48Å; S702-V705 VanDerWaalsContact O-CB 3.31Å; S702-V705 WeakPolarHBondContact O-CB 3.05Å; S702-V705 WeakPolarHBondContact O-CG2 3.41Å; S702-V705 PolarHBondContact O-N 2.66Å; L703-V705 VanDerWaalsContact C-N 3.3Å; V705-G707 PolarHBondContact O-N 3.29Å; V705-Y708 HydrophobicContact CG1-CD1 4.35Å; V705-Y708 HydrophobicContact CG1-CE1 4.11Å; V705-Y708 WeakPolarHBondContact O-CD1 3.41Å
706H45Very low43.2Very low12 Ų1231.1 Ų31.16%0.05618%0.181CC..G310 helixtrans-66.318.4180-62.4-39.7000116.2A57 Y708 L709A57-H706 WeakPolarHBondContact CB-NE2 3.33Å; H706-Y708 PolarHBondContact CE1-OH 2.66Å; H706-Y708 VanDerWaalsContact CE1-OH 3.28Å; H706-Y708 AromaticContact ND1-CE1 3.62Å; H706-Y708 AromaticContact ND1-CZ 3.35Å; H706-Y708 VanDerWaalsContact ND1-CZ 3.35Å; H706-Y708 PolarHBondContact ND1-OH 3.15Å; H706-Y708 PolarHBondContact O-N 3.04Å; H706-Y708 VanDerWaalsContact O-N 3.11Å; H706-L709 HydrophobicContact CB-CB 4.29Å; H706-L709 HydrophobicContact CB-CD1 4.2Å; H706-L709 WeakPolarHBondContact O-CB 3.48Å; H706-L709 PolarHBondContact O-N 2.84Å
707G45.5Very low42.9Very low49 Ų4931.4 Ų31.451%0.50518%0.182SC..G310 helixtrans-59.5-11.6159.800000113.2V705V705-G707 PolarHBondContact O-N 3.29Å
708Y44.1Very low42.1Very low31 Ų3133 Ų3312%0.12219%0.193CC..G310 helixtrans-82.2-15.216971.6-105.5000114.8E53 N686 N701 V705 H706 F710 N711E53-Y708 WeakPolarHBondContact OE1-CE2 3.44Å; N686-Y708 WeakPolarHBondContact ND2-CD1 3.47Å; N701-Y708 PolarHBondContact ND2-OH 3.41Å; V705-Y708 HydrophobicContact CG1-CD1 4.35Å; V705-Y708 HydrophobicContact CG1-CE1 4.11Å; V705-Y708 WeakPolarHBondContact O-CD1 3.41Å; H706-Y708 PolarHBondContact CE1-OH 2.66Å; H706-Y708 VanDerWaalsContact CE1-OH 3.28Å; H706-Y708 AromaticContact ND1-CE1 3.62Å; H706-Y708 AromaticContact ND1-CZ 3.35Å; H706-Y708 VanDerWaalsContact ND1-CZ 3.35Å; H706-Y708 PolarHBondContact ND1-OH 3.15Å; H706-Y708 PolarHBondContact O-N 3.04Å; H706-Y708 VanDerWaalsContact O-N 3.11Å; Y708-F710 PolarHBondContact O-N 2.95Å; Y708-N711 CarbonylContact O-C 3.55Å; Y708-N711 PolarHBondContact O-N 3.34Å
709L41.6Very low42.3Very low1 Ų137 Ų371%0.00521%0.21CC..THydrogen-bonded Turntrans-68.28.3-171-142.1167000114.4E53 R54 A57 H706 M1860E53-L709 HydrophobicContact CB-CD2 3.87Å; E53-L709 HydrophobicContact CG-CD1 4.44Å; E53-L709 HydrophobicContact CG-CD2 3.73Å; E53-L709 HydrophobicContact CG-CG 3.87Å; R54-L709 HydrophobicContact CG-CD2 3.98Å; A57-L709 HydrophobicContact CB-CD1 3.59Å; H706-L709 HydrophobicContact CB-CB 4.29Å; H706-L709 HydrophobicContact CB-CD1 4.2Å; H706-L709 WeakPolarHBondContact O-CB 3.48Å; H706-L709 PolarHBondContact O-N 2.84Å; L709-M1860 HydrophobicContact CD1-SD 4.02Å
710F48.4Very low42.7Very low30 Ų3036.9 Ų36.913%0.13221%0.206CC..THydrogen-bonded Turntrans-117.9-30.3179.2-42.4-47.3000110.9Y708 M1860 D1863 L1864 L1867Y708-F710 PolarHBondContact O-N 2.95Å; F710-M1860 HydrophobicContact CE1-CB 4.37Å; F710-M1860 WeakPolarHBondContact CE1-O 3.41Å; F710-D1863 HydrophobicContact CD2-CB 4.2Å; F710-D1863 HydrophobicContact CE1-CB 4.24Å; F710-D1863 HydrophobicContact CE2-CB 3.53Å; F710-D1863 HydrophobicContact CZ-CB 3.55Å; F710-L1864 HydrophobicContact CB-CG 4.44Å; F710-L1864 HydrophobicContact CD1-CB 3.51Å; F710-L1864 HydrophobicContact CD1-CD1 3.86Å; F710-L1864 HydrophobicContact CD1-CG 3.6Å; F710-L1864 HydrophobicContact CE1-CB 3.91Å; F710-L1864 HydrophobicContact CE1-CD1 4.41Å; F710-L1864 HydrophobicContact CE1-CG 4.38Å; F710-L1864 HydrophobicContact CG-CB 4.42Å; F710-L1864 HydrophobicContact CG-CG 4.43Å; F710-L1867 VanDerWaalsContact C-CD2 3.43Å; F710-L1867 HydrophobicContact CB-CB 4.34Å; F710-L1867 HydrophobicContact CB-CD2 3.54Å; F710-L1867 WeakPolarHBondContact O-CD2 3.41Å
711N39.4Very low43Very low46 Ų4638.6 Ų38.625%0.24621%0.212CC..SBendtrans-95.9130.1174-68.31.2000107.9Y708 E715 F716 L1867Y708-N711 CarbonylContact O-C 3.55Å; Y708-N711 PolarHBondContact O-N 3.34Å; N711-E715 HydrophobicContact CB-CB 3.67Å; N711-F716 HydrophobicContact CB-CB 4.2Å; N711-L1867 VanDerWaalsContact OD1-CD2 3.29Å; N711-L1867 WeakPolarHBondContact OD1-CD2 3.33Å
712T36.2Very low43.6Very low34 Ų3442.1 Ų42.121%0.20923%0.228CC..  trans-52.5157165.956.10000111.1Q714 E715 F716T712-Q714 CarbonylContact O-C 3.09Å; T712-Q714 PolarHBondContact O-N 3.13Å; T712-E715 VanDerWaalsContact CB-OE1 3.24Å; T712-E715 WeakPolarHBondContact CB-OE1 3.47Å; T712-E715 WeakPolarHBondContact CG2-OE1 3.19Å; T712-E715 PolarHBondContact N-OE1 3.39Å; T712-E715 PolarHBondContact O-N 3.42Å; T712-E715 WeakPolarHBondContact OG1-CG 3.49Å; T712-E715 PolarHBondContact OG1-N 2.88Å; T712-E715 VanDerWaalsContact OG1-N 3.15Å; T712-E715 PolarHBondContact OG1-OE1 3.46Å; T712-F716 PolarHBondContact O-N 3.06Å
713P35.7Very low44.5Very low83 Ų8343.6 Ų43.654%0.53923%0.233SC..THydrogen-bonded Turntrans-56-8.8172.6-27.536000114.6K717P713-K717 WeakPolarHBondContact O-CD 3.44Å; P713-K717 WeakPolarHBondContact O-CE 3.33Å; P713-K717 VanDerWaalsContact O-CG 3.3Å; P713-K717 WeakPolarHBondContact O-CG 3.31Å
714Q33.9Very low45.7Very low37 Ų3743.6 Ų43.617%0.17323%0.233CC..THydrogen-bonded Turntrans-89.7-47166.9-175.9-165.4-60.900112.9R156 T712 F716 K717 V718R156-Q714 VanDerWaalsContact NH2-CD 3.31Å; T712-Q714 CarbonylContact O-C 3.09Å; T712-Q714 PolarHBondContact O-N 3.13Å; Q714-F716 VanDerWaalsContact C-N 3.32Å; Q714-F716 PolarHBondContact O-N 2.96Å; Q714-K717 CarbonylContact O-C 3.53Å; Q714-K717 VanDerWaalsContact O-CA 3.28Å; Q714-K717 WeakPolarHBondContact O-CA 3.38Å; Q714-K717 WeakPolarHBondContact O-CB 3.48Å; Q714-K717 PolarHBondContact O-N 3.1Å; Q714-V718 PolarHBondContact O-N 3Å
715E35.2Very low46.6Very low39 Ų3947.1 Ų47.118%0.18225%0.247CC..THydrogen-bonded Turntrans-60.9-36.9177.8-79.2157.7-85.600112.8N711 T712 K717 V718 Q1871N711-E715 HydrophobicContact CB-CB 3.67Å; T712-E715 VanDerWaalsContact CB-OE1 3.24Å; T712-E715 WeakPolarHBondContact CB-OE1 3.47Å; T712-E715 WeakPolarHBondContact CG2-OE1 3.19Å; T712-E715 PolarHBondContact N-OE1 3.39Å; T712-E715 PolarHBondContact O-N 3.42Å; T712-E715 WeakPolarHBondContact OG1-CG 3.49Å; T712-E715 PolarHBondContact OG1-N 2.88Å; T712-E715 VanDerWaalsContact OG1-N 3.15Å; T712-E715 PolarHBondContact OG1-OE1 3.46Å; E715-K717 PolarHBondContact O-N 2.9Å; E715-V718 WeakPolarHBondContact O-CB 3.47Å; E715-V718 PolarHBondContact O-N 3.01Å; E715-Q1871 PolarHBondContact OE2-NE2 3.37Å
716F38.5Very low47.8Very low49 Ų4951.1 Ų51.122%0.21526%0.262CS..THydrogen-bonded Turntrans-63.3-31.3172.9-158.3-82.3000111.4P684 N711 T712 Q714P684-F716 HydrophobicContact CB-CZ 4.35Å; P684-F716 WeakPolarHBondContact O-CE1 3.45Å; P684-F716 WeakPolarHBondContact O-CZ 3.33Å; N711-F716 HydrophobicContact CB-CB 4.2Å; T712-F716 PolarHBondContact O-N 3.06Å; Q714-F716 VanDerWaalsContact C-N 3.32Å; Q714-F716 PolarHBondContact O-N 2.96Å
717K42.8Very low48.9Very low11 Ų1154.1 Ų54.15%0.04829%0.289CS..THydrogen-bonded Turntrans-85.34.1171.5-57.7-176.8-169.1-167.70114I103 M106 H107 P713 Q714 E715 K719 E720 L721I103-K717 PolarHBondContact O-NZ 2.86Å; M106-K717 HydrophobicContact CE-CB 4.42Å; M106-K717 HydrophobicContact CE-CD 3.54Å; M106-K717 HydrophobicContact SD-CD 4.05Å; M106-K717 PolarHBondContact SD-NZ 3.38Å; H107-K717 VanDerWaalsContact CE1-CE 3.41Å; H107-K717 WeakPolarHBondContact CE1-CE 3.43Å; H107-K717 PolarHBondContact CE1-NZ 2.84Å; H107-K717 VanDerWaalsContact CE1-NZ 3.35Å; H107-K717 WeakPolarHBondContact NE2-CE 3.43Å; P713-K717 WeakPolarHBondContact O-CD 3.44Å; P713-K717 WeakPolarHBondContact O-CE 3.33Å; P713-K717 VanDerWaalsContact O-CG 3.3Å; P713-K717 WeakPolarHBondContact O-CG 3.31Å; Q714-K717 CarbonylContact O-C 3.53Å; Q714-K717 VanDerWaalsContact O-CA 3.28Å; Q714-K717 WeakPolarHBondContact O-CA 3.38Å; Q714-K717 WeakPolarHBondContact O-CB 3.48Å; Q714-K717 PolarHBondContact O-N 3.1Å; E715-K717 PolarHBondContact O-N 2.9Å; K717-K719 PolarHBondContact O-N 2.96Å; K717-E720 HydrophobicContact CB-CB 4.21Å; K717-E720 HydrophobicContact CB-CG 4.3Å; K717-E720 WeakPolarHBondContact CG-OE2 3.48Å; K717-E720 CarbonylContact O-C 3.52Å; K717-E720 WeakPolarHBondContact O-CA 3.42Å; K717-E720 VanDerWaalsContact O-CB 3.32Å; K717-E720 WeakPolarHBondContact O-CB 3.19Å; K717-E720 PolarHBondContact O-N 3.28Å; K717-L721 PolarHBondContact O-N 3.45Å
718V33.2Very low50Low50 Ų5057.8 Ų57.830%0.30329%0.292SS..Hα-helixtrans-65.9-30.3171.8168.70000110.2Q714 E715 E720 L721 E722Q714-V718 PolarHBondContact O-N 3Å; E715-V718 WeakPolarHBondContact O-CB 3.47Å; E715-V718 PolarHBondContact O-N 3.01Å; V718-E720 VanDerWaalsContact C-N 3.29Å; V718-E720 PolarHBondContact O-N 3.26Å; V718-L721 CarbonylContact O-C 3.57Å; V718-L721 WeakPolarHBondContact O-CA 3.24Å; V718-L721 WeakPolarHBondContact O-CB 3.28Å; V718-L721 PolarHBondContact O-N 3.37Å; V718-L721 VanDerWaalsContact O-N 3.07Å; V718-E722 WeakPolarHBondContact O-CG 3.27Å; V718-E722 PolarHBondContact O-N 3.4Å
719K47Very low51.4Low101 Ų10157.5 Ų57.544%0.43929%0.294SS..Hα-helixtrans-63.5-30.4165.9-73.9-175.7168.4-176.60114T682 K717 F723T682-K719 PolarHBondContact O-NZ 3.28Å; K717-K719 PolarHBondContact O-N 2.96Å; K719-F723 WeakPolarHBondContact O-CB 3.42Å; K719-F723 PolarHBondContact O-N 2.93Å
720E53Low52.7Low35 Ų3565.2 Ų65.216%0.16433%0.33CS..Hα-helixtrans-75.5-31.8170.7-58.4-170.5153.600111.3H107 V110 K717 V718 F723 M724H107-E720 IonicContact CD2-OE1 2.72Å; H107-E720 PolarHBondContact CD2-OE1 2.91Å; H107-E720 IonicContact CD2-OE2 3.67Å; V110-E720 HydrophobicContact CG1-CB 4.36Å; V110-E720 HydrophobicContact CG1-CG 4.37Å; V110-E720 HydrophobicContact CG2-CB 3.83Å; V110-E720 HydrophobicContact CG2-CG 4.41Å; K717-E720 HydrophobicContact CB-CB 4.21Å; K717-E720 HydrophobicContact CB-CG 4.3Å; K717-E720 WeakPolarHBondContact CG-OE2 3.48Å; K717-E720 CarbonylContact O-C 3.52Å; K717-E720 WeakPolarHBondContact O-CA 3.42Å; K717-E720 VanDerWaalsContact O-CB 3.32Å; K717-E720 WeakPolarHBondContact O-CB 3.19Å; K717-E720 PolarHBondContact O-N 3.28Å; V718-E720 VanDerWaalsContact C-N 3.29Å; V718-E720 PolarHBondContact O-N 3.26Å; E720-F723 WeakPolarHBondContact O-CB 3.26Å; E720-F723 PolarHBondContact O-N 2.72Å; E720-M724 WeakPolarHBondContact O-CB 3.44Å; E720-M724 WeakPolarHBondContact O-CG 3.19Å; E720-M724 PolarHBondContact O-N 3.19Å
721L52Low54.1Low46 Ų4664.9 Ų64.924%0.24133%0.33CS..Hα-helixtrans-72.2-37.4175.3-161.7135.4000111.8Y148 K717 V718 M724 Q725Y148-L721 HydrophobicContact CE1-CB 4.32Å; Y148-L721 HydrophobicContact CE1-CD1 4.05Å; Y148-L721 HydrophobicContact CE1-CG 4.14Å; Y148-L721 PolarHBondContact OH-N 3.33Å; K717-L721 PolarHBondContact O-N 3.45Å; V718-L721 CarbonylContact O-C 3.57Å; V718-L721 WeakPolarHBondContact O-CA 3.24Å; V718-L721 WeakPolarHBondContact O-CB 3.28Å; V718-L721 PolarHBondContact O-N 3.37Å; V718-L721 VanDerWaalsContact O-N 3.07Å; L721-M724 PolarHBondContact O-N 3.47Å; L721-Q725 WeakPolarHBondContact O-CG 3.19Å; L721-Q725 PolarHBondContact O-N 3.03Å
722E58.6Low55.9Low100 Ų10064.2 Ų64.247%0.46733%0.325SS..Hα-helixtrans-55.8-54.5163.1-72.9168.5-175.500109.7V718 M724 Q725 F726V718-E722 WeakPolarHBondContact O-CG 3.27Å; V718-E722 PolarHBondContact O-N 3.4Å; E722-M724 VanDerWaalsContact C-N 3.25Å; E722-M724 PolarHBondContact O-N 2.88Å; E722-Q725 WeakPolarHBondContact O-CA 3.46Å; E722-Q725 WeakPolarHBondContact O-CB 3.46Å; E722-Q725 PolarHBondContact O-N 2.92Å; E722-F726 WeakPolarHBondContact O-CD2 3.37Å; E722-F726 WeakPolarHBondContact O-CE2 3.4Å
723F66.7Low58Low41 Ų4163.7 Ų63.718%0.1832%0.321CS..Hα-helixtrans-53.3-42.7176.6-178.8-94.4000112.5V110 K113 H114 L117 K719 E720 Q725 F726 V729V110-F723 HydrophobicContact CG1-CD1 3.93Å; V110-F723 HydrophobicContact CG1-CE1 4.47Å; K113-F723 HydrophobicContact CG-CE1 4.35Å; H114-F723 HydrophobicContact CB-CE1 3.84Å; H114-F723 HydrophobicContact CB-CZ 3.61Å; H114-F723 AromaticContact CD2-CE2 3.83Å; H114-F723 AromaticContact CD2-CZ 3.59Å; H114-F723 AromaticContact CG-CZ 4Å; L117-F723 HydrophobicContact CD1-CZ 4.13Å; K719-F723 WeakPolarHBondContact O-CB 3.42Å; K719-F723 PolarHBondContact O-N 2.93Å; E720-F723 WeakPolarHBondContact O-CB 3.26Å; E720-F723 PolarHBondContact O-N 2.72Å; F723-Q725 PolarHBondContact O-N 2.65Å; F723-F726 PolarHBondContact O-N 2.97Å; F723-F726 VanDerWaalsContact O-N 3.1Å; F723-V729 HydrophobicContact CE2-CG2 3.66Å; F723-V729 HydrophobicContact CZ-CG2 3.97Å
724M71.8Confident60.6Low7 Ų759.7 Ų59.73%0.03430%0.295CS..Hα-helixtrans-67.3-14.1177.9-71.6-61.4-68.700113.7V110 K113 T145 Y148 E720 L721 E722V110-M724 HydrophobicContact CG2-CG 3.96Å; V110-M724 HydrophobicContact CG2-SD 4.08Å; K113-M724 HydrophobicContact CB-CE 4.34Å; K113-M724 HydrophobicContact CB-SD 3.91Å; K113-M724 HydrophobicContact CD-CE 3.77Å; K113-M724 HydrophobicContact CD-SD 3.55Å; K113-M724 VanDerWaalsContact CD-SD 3.55Å; K113-M724 HydrophobicContact CG-SD 4.25Å; K113-M724 PolarHBondContact NZ-O 3.09Å; T145-M724 HydrophobicContact CG2-CE 4.42Å; Y148-M724 HydrophobicContact CD1-CB 4.06Å; Y148-M724 HydrophobicContact CD1-CE 4.18Å; Y148-M724 HydrophobicContact CD1-CG 3.7Å; Y148-M724 HydrophobicContact CD2-CE 4.47Å; Y148-M724 HydrophobicContact CD2-CG 4.11Å; Y148-M724 HydrophobicContact CE1-CB 4.01Å; Y148-M724 HydrophobicContact CE1-CG 3.71Å; Y148-M724 HydrophobicContact CE2-CG 4.13Å; Y148-M724 HydrophobicContact CG-CE 3.84Å; Y148-M724 HydrophobicContact CG-CG 3.91Å; Y148-M724 HydrophobicContact CG-SD 4.4Å; E720-M724 WeakPolarHBondContact O-CB 3.44Å; E720-M724 WeakPolarHBondContact O-CG 3.19Å; E720-M724 PolarHBondContact O-N 3.19Å; L721-M724 PolarHBondContact O-N 3.47Å; E722-M724 VanDerWaalsContact C-N 3.25Å; E722-M724 PolarHBondContact O-N 2.88Å
725Q66.9Low63.2Low151 Ų15159 Ų5971%0.70629%0.292SS*.Hα-helixtrans-83.7-22.2170.4-66.8172.519.900113.6L721 E722 F723L721-Q725 WeakPolarHBondContact O-CG 3.19Å; L721-Q725 PolarHBondContact O-N 3.03Å; E722-Q725 WeakPolarHBondContact O-CA 3.46Å; E722-Q725 WeakPolarHBondContact O-CB 3.46Å; E722-Q725 PolarHBondContact O-N 2.92Å; F723-Q725 PolarHBondContact O-N 2.65Å
726F67.8Low65.9Low121 Ų12157.7 Ų57.753%0.53129%0.285SS..  trans-66.5140.9178.8-69.8-98.9000111.7K113 E722 F723K113-F726 WeakPolarHBondContact CE-O 3.48Å; K113-F726 PolarHBondContact NZ-O 2.82Å; E722-F726 WeakPolarHBondContact O-CD2 3.37Å; E722-F726 WeakPolarHBondContact O-CE2 3.4Å; F723-F726 PolarHBondContact O-N 2.97Å; F723-F726 VanDerWaalsContact O-N 3.1Å
727A68.1Low68.4Low75 Ų7558.8 Ų58.862%0.6229%0.288SS*.SBendtrans-95.4-22.1175.800000113.1L117L117-A727 WeakPolarHBondContact CD2-O 3.36Å
728E68.8Low70.6Confident125 Ų12561 Ų6158%0.58430%0.299SS*.  trans-138.2159.4178.8-71.5-161.7-14800111.3K121K121-E728 IonicContact NZ-OE2 3.12Å; K121-E728 PolarHBondContact NZ-OE2 3.09Å
729V73.4Confident72.9Confident25 Ų2562.2 Ų62.215%0.15230%0.301CS..  trans-134141.7173.9163.80000107.9L117 L118 F723L117-V729 HydrophobicContact CB-CB 4.19Å; L117-V729 HydrophobicContact CB-CG2 4.21Å; L117-V729 HydrophobicContact CD1-CB 4.41Å; L117-V729 HydrophobicContact CD1-CG2 3.62Å; L118-V729 HydrophobicContact CD2-CG1 3.88Å; L118-V729 HydrophobicContact CG-CG1 4.43Å; F723-V729 HydrophobicContact CE2-CG2 3.66Å; F723-V729 HydrophobicContact CZ-CG2 3.97Å
730E69.9Low74.5Confident164 Ų16461.9 Ų61.977%0.76630%0.301SS*.  trans-72.3132.4170-65.7-170.216400110.1H732E730-H732 PolarHBondContact O-N 3.17Å; E730-H732 PolarHBondContact O-ND1 3.3Å
731N77.5Confident75.7Confident23 Ų2362.6 Ų62.612%0.12332%0.318CS..  trans-63.6130.4174.2179.545.7000109.8K121 D733 F735 Q748K121-N731 HydrophobicContact CG-CB 4.47Å; N731-D733 PolarHBondContact ND2-O 3Å; N731-D733 PolarHBondContact OD1-N 3.44Å; N731-D733 VanDerWaalsContact OD1-N 3.17Å; N731-D733 PolarHBondContact OD1-O 3.22Å; N731-F735 WeakPolarHBondContact ND2-CE2 3.46Å; N731-Q748 WeakPolarHBondContact O-CB 3.4Å; N731-Q748 WeakPolarHBondContact O-CG 3.41Å
732H76.2Confident77.5Confident31 Ų3161.6 Ų61.614%0.14431%0.311CS..  trans-127.82.8176.259.6-95.3000112.6H114 R662 E730H114-H732 AromaticContact CE1-CE1 3.68Å; H114-H732 AromaticContact NE2-CE1 3.5Å; H114-H732 PolarHBondContact NE2-CE1 3.12Å; R662-H732 PolarHBondContact NH2-O 3.07Å; E730-H732 PolarHBondContact O-N 3.17Å; E730-H732 PolarHBondContact O-ND1 3.3Å
733D81.6Confident79Confident23 Ų2357 Ų5712%0.12329%0.289CS..SBendtrans-90.2143.8171-76.6-39.1000110.5T663 N731T663-D733 WeakPolarHBondContact CB-OD1 3.21Å; T663-D733 WeakPolarHBondContact CG2-OD1 3.34Å; T663-D733 PolarHBondContact OG1-OD1 2.84Å; N731-D733 PolarHBondContact ND2-O 3Å; N731-D733 PolarHBondContact OD1-N 3.44Å; N731-D733 VanDerWaalsContact OD1-N 3.17Å; N731-D733 PolarHBondContact OD1-O 3.22Å
734D89.4Confident80.3Confident0 Ų055.5 Ų55.50%028%0.283CS..  trans-76.9160.8173.2-67.6-19.2000110.7R122 S659 R662 Y736 V745 K746 D747 Y755R122-D734 PolarHBondContact NH1-O 3.12Å; S659-D734 WeakPolarHBondContact OG-CB 3.5Å; S659-D734 PolarHBondContact OG-OD2 3.2Å; R662-D734 IonicContact CZ-OD1 3.83Å; R662-D734 IonicContact CZ-OD2 2.78Å; R662-D734 VanDerWaalsContact NH1-CG 3.33Å; R662-D734 IonicContact NH1-OD1 2.68Å; R662-D734 PolarHBondContact NH1-OD1 3.35Å; R662-D734 IonicContact NH1-OD2 3.67Å; R662-D734 PolarHBondContact NH1-OD2 3Å; R662-D734 IonicContact NH2-OD1 2.62Å; R662-D734 PolarHBondContact NH2-OD1 3.47Å; D734-Y736 HydrophobicContact CB-CE1 4.17Å; D734-V745 HydrophobicContact CB-CG1 3.81Å; D734-K746 CarbonylContact C-O 3.59Å; D734-K746 WeakPolarHBondContact CA-O 3.24Å; D734-K746 WeakPolarHBondContact CB-O 3.29Å; D734-D747 WeakPolarHBondContact OD1-CA 3.24Å; D734-Y755 PolarHBondContact OD2-OH 3.15Å
735F89.3Confident81.3Confident23 Ų2355.3 Ų55.310%0.10128%0.282CS..EExtended strand (participates in β ladder)trans-109.8146.5178.5-58.2-108.9000110.7R122 F125 N731 Y737 V745 K746R122-F735 HydrophobicContact CG-CD1 4.27Å; R122-F735 HydrophobicContact CG-CE1 3.68Å; R122-F735 HydrophobicContact CG-CZ 4.33Å; F125-F735 HydrophobicContact CZ-CE1 4.39Å; N731-F735 WeakPolarHBondContact ND2-CE2 3.46Å; F735-Y737 HydrophobicContact CB-CD2 4.38Å; F735-Y737 HydrophobicContact CB-CE2 3.51Å; F735-Y737 HydrophobicContact CG-CE2 4.46Å; F735-V745 WeakPolarHBondContact O-CA 3.37Å; F735-K746 HydrophobicContact CB-CB 4.28Å; F735-K746 PolarHBondContact N-O 3.41Å; F735-K746 PolarHBondContact O-N 3.41Å
736Y92.5Very high82.4Confident11 Ų1150.4 Ų50.44%0.04326%0.258CS..EExtended strand (participates in β ladder)trans-124.8126.8-173.2-48.3-58.3000111Y656 S659 D734 V745 N935 D937Y656-Y736 AromaticContact CD2-CD1 3.5Å; Y656-Y736 HydrophobicContact CD2-CD1 3.5Å; Y656-Y736 HydrophobicContact CD2-CD2 4.49Å; Y656-Y736 AromaticContact CD2-CE1 3.57Å; Y656-Y736 HydrophobicContact CD2-CE1 3.57Å; Y656-Y736 AromaticContact CD2-CG 3.99Å; Y656-Y736 HydrophobicContact CD2-CG 3.99Å; Y656-Y736 AromaticContact CE2-CD1 3.49Å; Y656-Y736 HydrophobicContact CE2-CD1 3.49Å; Y656-Y736 VanDerWaalsContact CE2-CD1 3.49Å; Y656-Y736 AromaticContact CE2-CD2 3.65Å; Y656-Y736 HydrophobicContact CE2-CD2 3.65Å; Y656-Y736 AromaticContact CE2-CE1 3.59Å; Y656-Y736 HydrophobicContact CE2-CE1 3.59Å; Y656-Y736 AromaticContact CE2-CE2 3.76Å; Y656-Y736 HydrophobicContact CE2-CE2 3.76Å; Y656-Y736 AromaticContact CE2-CG 3.51Å; Y656-Y736 HydrophobicContact CE2-CG 3.51Å; Y656-Y736 AromaticContact CE2-CZ 3.72Å; S659-Y736 WeakPolarHBondContact OG-CE1 3.45Å; S659-Y736 PolarHBondContact OG-OH 3.24Å; D734-Y736 HydrophobicContact CB-CE1 4.17Å; Y736-V745 HydrophobicContact CD1-CG1 4.46Å; Y736-V745 HydrophobicContact CD1-CG2 4.17Å; Y736-V745 HydrophobicContact CE1-CG1 4.26Å; Y736-V745 HydrophobicContact CE1-CG2 4.28Å; Y736-N935 WeakPolarHBondContact CD2-O 3.31Å; Y736-N935 VanDerWaalsContact CD2-OD1 3.23Å; Y736-N935 WeakPolarHBondContact CD2-OD1 3.22Å; Y736-D937 PolarHBondContact O-N 2.79Å
737Y89.9Confident83.4Confident71 Ų7144.7 Ų44.728%0.27823%0.233SC..EExtended strand (participates in β ladder)trans-131148.2-176.1-61.3-85.5000111.4F735 I743 H744 K746 W752 D937F735-Y737 HydrophobicContact CB-CD2 4.38Å; F735-Y737 HydrophobicContact CB-CE2 3.51Å; F735-Y737 HydrophobicContact CG-CE2 4.46Å; Y737-I743 WeakPolarHBondContact O-CA 3.48Å; Y737-H744 PolarHBondContact N-O 3.18Å; Y737-H744 PolarHBondContact O-N 2.9Å; Y737-K746 HydrophobicContact CD2-CD 4.18Å; Y737-K746 HydrophobicContact CD2-CG 4.14Å; Y737-K746 HydrophobicContact CE2-CB 4.25Å; Y737-K746 HydrophobicContact CE2-CD 3.69Å; Y737-K746 HydrophobicContact CE2-CG 3.98Å; Y737-W752 HydrophobicContact CD2-CH2 4.1Å; Y737-W752 HydrophobicContact CD2-CZ3 4Å; Y737-W752 HydrophobicContact CG-CH2 4.24Å; Y737-W752 HydrophobicContact CG-CZ3 4.45Å; Y737-D937 VanDerWaalsContact CA-OD2 3.31Å; Y737-D937 WeakPolarHBondContact CA-OD2 3.22Å; Y737-D937 HydrophobicContact CD1-CB 4.18Å
738H88.1Confident83.9Confident59 Ų5943.4 Ų43.427%0.27321%0.214SC..EExtended strand (participates in β ladder)trans-101.7107.9174.9-63.697.3000111R742 K834 D937H738-R742 WeakPolarHBondContact CA-O 3.3Å; H738-K834 PolarHBondContact NE2-NZ 3.03Å; H738-D937 IonicContact CE1-OD1 2.68Å; H738-D937 IonicContact CG-OD1 2.73Å; H738-D937 PolarHBondContact N-OD2 3.43Å; H738-D937 IonicContact ND1-OD1 3.67Å; H738-D937 PolarHBondContact ND1-OD1 3.36Å; H738-D937 IonicContact ND1-OD2 3.96Å
739E83.3Confident84.4Confident75 Ų7542.1 Ų42.135%0.3522%0.215SC..EExtended strand (participates in β ladder)trans-122.8123.3-177.6-75.1-82.2-172.700108.4W486 G741 R742 W752W486-E739 VanDerWaalsContact CD1-CG 3.41Å; W486-E739 HydrophobicContact CD2-CB 4.35Å; W486-E739 HydrophobicContact CG-CB 4.13Å; W486-E739 HydrophobicContact CG-CG 4.23Å; W486-E739 VanDerWaalsContact NE1-CD 3.34Å; W486-E739 PolarHBondContact NE1-OE2 3.46Å; E739-G741 PolarHBondContact O-N 2.85Å; E739-G741 VanDerWaalsContact O-N 3.09Å; E739-R742 PolarHBondContact N-O 2.87Å; E739-R742 WeakPolarHBondContact O-CB 3.4Å; E739-R742 PolarHBondContact O-N 3.35Å; E739-W752 HydrophobicContact CG-CH2 4.17Å
740E79.2Confident84.9Confident94 Ų9442 Ų4244%0.43922%0.218SC..THydrogen-bonded Turntrans51.427.7-169.4-57.2-168.6150.700114.8R461 W486 R742R461-E740 IonicContact CZ-OE1 3.05Å; R461-E740 IonicContact NH1-OE1 2.9Å; R461-E740 PolarHBondContact NH1-OE1 3.47Å; R461-E740 IonicContact NH1-OE2 3.89Å; R461-E740 IonicContact NH2-OE1 3.23Å; R461-E740 PolarHBondContact NH2-OE1 3.35Å; R461-E740 IonicContact NH2-OE2 3.54Å; W486-E740 HydrophobicContact CH2-CG 4.11Å; W486-E740 WeakPolarHBondContact CH2-OE2 3.25Å; W486-E740 HydrophobicContact CZ2-CG 3.78Å; E740-R742 PolarHBondContact O-N 2.98Å; E740-R742 IonicContact OE2-CZ 3.43Å; E740-R742 IonicContact OE2-NH2 2.82Å; E740-R742 PolarHBondContact OE2-NH2 2.61Å
741G79.6Confident85.8Confident50 Ų5035.5 Ų35.552%0.51519%0.187SC..THydrogen-bonded Turntrans77.9-2.5-174.900000114.7E739E739-G741 PolarHBondContact O-N 2.85Å; E739-G741 VanDerWaalsContact O-N 3.09Å
742R88.2Confident86.5Confident24 Ų2435 Ų359%0.09118%0.183CC..EExtended strand (participates in β ladder)trans-90.1145.5172.6-68.5177.8-94.8-132.82.9110.1D645 T649 H738 E739 E740D645-R742 IonicContact OD1-CZ 2.71Å; D645-R742 IonicContact OD1-NH1 3.96Å; D645-R742 PolarHBondContact OD1-NH1 3.35Å; D645-R742 IonicContact OD1-NH2 3.93Å; T649-R742 HydrophobicContact CG2-CG 4.43Å; H738-R742 WeakPolarHBondContact CA-O 3.3Å; E739-R742 PolarHBondContact N-O 2.87Å; E739-R742 WeakPolarHBondContact O-CB 3.4Å; E739-R742 PolarHBondContact O-N 3.35Å; E740-R742 PolarHBondContact O-N 2.98Å; E740-R742 IonicContact OE2-CZ 3.43Å; E740-R742 IonicContact OE2-NH2 2.82Å; E740-R742 PolarHBondContact OE2-NH2 2.61Å
743I91.5Very high87.4Confident5 Ų533.7 Ų33.73%0.02618%0.177CC..EExtended strand (participates in β ladder)trans-86.1125.6173.1-172.3159.6000110.3S652 V653 Y656 Y737 K834 T936S652-I743 VanDerWaalsContact CB-O 3.27Å; S652-I743 WeakPolarHBondContact CB-O 3.49Å; S652-I743 PolarHBondContact OG-N 3.39Å; S652-I743 PolarHBondContact OG-O 3.12Å; V653-I743 HydrophobicContact CG2-CG2 4.15Å; Y656-I743 HydrophobicContact CD1-CD1 3.74Å; Y656-I743 HydrophobicContact CD2-CD1 3.66Å; Y656-I743 HydrophobicContact CD2-CG1 4.36Å; Y656-I743 HydrophobicContact CE1-CD1 3.83Å; Y656-I743 HydrophobicContact CE2-CD1 3.77Å; Y656-I743 HydrophobicContact CG-CD1 3.65Å; Y656-I743 HydrophobicContact CG-CG1 4.31Å; Y656-I743 HydrophobicContact CG-CG2 4.43Å; Y737-I743 WeakPolarHBondContact O-CA 3.48Å; I743-K834 VanDerWaalsContact CD1-CE 3.42Å; I743-T936 HydrophobicContact CD1-CG2 4.36Å
744H92.4Very high88Confident9 Ų932.8 Ų32.84%0.04217%0.173CC..EExtended strand (participates in β ladder)trans-120.2140.6178.6-73.1-105000110.7W486 Y737 W752W486-H744 HydrophobicContact CB-CB 4.44Å; W486-H744 AromaticContact CE3-CE1 3.65Å; Y737-H744 PolarHBondContact N-O 3.18Å; Y737-H744 PolarHBondContact O-N 2.9Å; H744-W752 HydrophobicContact CB-CE3 3.84Å; H744-W752 HydrophobicContact CB-CH2 4.3Å; H744-W752 HydrophobicContact CB-CZ3 3.43Å; H744-W752 VanDerWaalsContact CB-CZ3 3.43Å
745V94.1Very high88.2Confident2 Ų232.9 Ų32.91%0.01217%0.173CC..EExtended strand (participates in β ladder)trans-99.7126.4-178.2-176.10000109.1N655 D734 F735 Y736 I753N655-V745 WeakPolarHBondContact ND2-CG2 3.49Å; D734-V745 HydrophobicContact CB-CG1 3.81Å; F735-V745 WeakPolarHBondContact O-CA 3.37Å; Y736-V745 HydrophobicContact CD1-CG1 4.46Å; Y736-V745 HydrophobicContact CD1-CG2 4.17Å; Y736-V745 HydrophobicContact CE1-CG1 4.26Å; Y736-V745 HydrophobicContact CE1-CG2 4.28Å; V745-I753 HydrophobicContact CB-CG1 4.33Å; V745-I753 HydrophobicContact CG1-CD1 4.13Å; V745-I753 HydrophobicContact CG1-CG1 3.95Å; V745-I753 PolarHBondContact O-N 2.91Å
746K90.6Very high88.4Confident49 Ų4934.3 Ų34.321%0.21318%0.182CC..EExtended strand (participates in β ladder)trans-100.4142.8157.9-67-173.9-179178.10109.5D734 F735 Y737 Y751 W752D734-K746 CarbonylContact C-O 3.59Å; D734-K746 WeakPolarHBondContact CA-O 3.24Å; D734-K746 WeakPolarHBondContact CB-O 3.29Å; F735-K746 HydrophobicContact CB-CB 4.28Å; F735-K746 PolarHBondContact N-O 3.41Å; F735-K746 PolarHBondContact O-N 3.41Å; Y737-K746 HydrophobicContact CD2-CD 4.18Å; Y737-K746 HydrophobicContact CD2-CG 4.14Å; Y737-K746 HydrophobicContact CE2-CB 4.25Å; Y737-K746 HydrophobicContact CE2-CD 3.69Å; Y737-K746 HydrophobicContact CE2-CG 3.98Å; K746-Y751 CarbonylContact C-O 3.56Å; K746-Y751 VanDerWaalsContact CA-O 3.24Å; K746-Y751 WeakPolarHBondContact CA-O 3.32Å; K746-W752 HydrophobicContact CD-CD2 4.25Å; K746-W752 HydrophobicContact CD-CE3 4.25Å; K746-W752 HydrophobicContact CD-CH2 4.47Å; K746-W752 HydrophobicContact CD-CZ2 4.45Å; K746-W752 HydrophobicContact CD-CZ3 4.34Å; K746-W752 VanDerWaalsContact CE-CH2 3.48Å; K746-W752 HydrophobicContact CG-CD2 3.66Å; K746-W752 HydrophobicContact CG-CE3 3.35Å; K746-W752 HydrophobicContact CG-CG 4.29Å; K746-W752 HydrophobicContact CG-CH2 4.29Å; K746-W752 HydrophobicContact CG-CZ3 3.68Å
747D87.3Confident88.4Confident0 Ų034.1 Ų34.10%018%0.182CC..  trans-74.3174.4175103-46.8000112.2Y471 K492 D734 V749 G750 Y751 I753Y471-D747 PolarHBondContact OH-OD2 3.39Å; Y471-D747 VanDerWaalsContact OH-OD2 3.1Å; K492-D747 IonicContact NZ-OD2 3.62Å; K492-D747 PolarHBondContact NZ-OD2 3.28Å; D734-D747 WeakPolarHBondContact OD1-CA 3.24Å; D747-V749 PolarHBondContact O-N 3.01Å; D747-V749 VanDerWaalsContact O-N 3.08Å; D747-V749 WeakPolarHBondContact OD1-CA 3.24Å; D747-V749 WeakPolarHBondContact OD1-CB 3.44Å; D747-V749 PolarHBondContact OD1-N 3.45Å; D747-G750 PolarHBondContact O-N 3.14Å; D747-G750 PolarHBondContact OD1-N 2.94Å; D747-Y751 PolarHBondContact N-O 2.9Å; D747-Y751 PolarHBondContact OD1-N 3.25Å; D747-I753 HydrophobicContact CB-CD1 3.61Å; D747-I753 HydrophobicContact CB-CG1 4Å; D747-I753 HydrophobicContact CB-CG2 4.07Å
748Q79.3Confident88.6Confident49 Ų4930.8 Ų30.823%0.22917%0.169CC..THydrogen-bonded Turntrans-62.4-16.9-177.674.7-87.111.900115.2N731N731-Q748 WeakPolarHBondContact O-CB 3.4Å; N731-Q748 WeakPolarHBondContact O-CG 3.41Å
749V80.2Confident88.9Confident97 Ų9729.3 Ų29.359%0.58816%0.163SC*.THydrogen-bonded Turntrans-92.8-21.2177-172.50000111.3D747 Y751D747-V749 PolarHBondContact O-N 3.01Å; D747-V749 VanDerWaalsContact O-N 3.08Å; D747-V749 WeakPolarHBondContact OD1-CA 3.24Å; D747-V749 WeakPolarHBondContact OD1-CB 3.44Å; D747-V749 PolarHBondContact OD1-N 3.45Å; V749-Y751 HydrophobicContact CB-CD2 4.14Å; V749-Y751 HydrophobicContact CB-CE2 4.46Å; V749-Y751 HydrophobicContact CG1-CD2 4.14Å; V749-Y751 HydrophobicContact CG1-CE2 3.99Å
750G83.8Confident89.3Confident22 Ų2229.7 Ų29.723%0.22717%0.167CC..SBendtrans110.96.517700000114.8D747D747-G750 PolarHBondContact O-N 3.14Å; D747-G750 PolarHBondContact OD1-N 2.94Å
751Y88.6Confident90.1Very high29 Ų2926.8 Ų26.811%0.11416%0.155CC..  trans-77.6136.1174.3-71.3-86.5000110.9Y471 G482 L483 M490 K746 D747 V749 I753Y471-Y751 HydrophobicContact CE2-CD2 4.3Å; Y471-Y751 HydrophobicContact CE2-CG 4.32Å; G482-Y751 CarbonylContact O-C 3.34Å; G482-Y751 WeakPolarHBondContact O-CA 3.15Å; L483-Y751 HydrophobicContact CD1-CE1 3.81Å; L483-Y751 HydrophobicContact CD2-CD1 3.56Å; L483-Y751 HydrophobicContact CD2-CD2 4.17Å; L483-Y751 HydrophobicContact CD2-CE1 3.59Å; L483-Y751 HydrophobicContact CD2-CE2 4.16Å; L483-Y751 HydrophobicContact CD2-CG 3.88Å; L483-Y751 HydrophobicContact CG-CD1 3.59Å; L483-Y751 HydrophobicContact CG-CE1 3.37Å; L483-Y751 HydrophobicContact CG-CG 4.42Å; M490-Y751 HydrophobicContact CE-CD1 3.22Å; M490-Y751 HydrophobicContact CE-CE1 3.66Å; M490-Y751 HydrophobicContact CE-CG 3.72Å; K746-Y751 CarbonylContact C-O 3.56Å; K746-Y751 VanDerWaalsContact CA-O 3.24Å; K746-Y751 WeakPolarHBondContact CA-O 3.32Å; D747-Y751 PolarHBondContact N-O 2.9Å; D747-Y751 PolarHBondContact OD1-N 3.25Å; V749-Y751 HydrophobicContact CB-CD2 4.14Å; V749-Y751 HydrophobicContact CB-CE2 4.46Å; V749-Y751 HydrophobicContact CG1-CD2 4.14Å; V749-Y751 HydrophobicContact CG1-CE2 3.99Å; Y751-I753 PolarHBondContact O-N 3.01Å
752W92.2Very high90.8Very high12 Ų1224.9 Ų24.95%0.04513%0.133CC..EExtended strand (participates in β ladder)trans-64.9127.7167.1-63.5111.4000110.4G482 M485 W486 A489 M490 Y737 E739 H744 K746G482-W752 VanDerWaalsContact O-CD1 3.25Å; G482-W752 PolarHBondContact O-N 3.33Å; M485-W752 VanDerWaalsContact C-NE1 3.29Å; M485-W752 VanDerWaalsContact O-CD1 3.23Å; W486-W752 HydrophobicContact CB-CD2 3.77Å; W486-W752 HydrophobicContact CB-CE3 4.02Å; W486-W752 HydrophobicContact CB-CG 4.29Å; W486-W752 HydrophobicContact CB-CH2 4.06Å; W486-W752 HydrophobicContact CB-CZ2 3.82Å; W486-W752 HydrophobicContact CB-CZ3 4.18Å; W486-W752 HydrophobicContact CG-CZ2 4.44Å; A489-W752 WeakPolarHBondContact CA-O 3.14Å; A489-W752 HydrophobicContact CB-CB 4.25Å; M490-W752 PolarHBondContact N-O 3.48Å; Y737-W752 HydrophobicContact CD2-CH2 4.1Å; Y737-W752 HydrophobicContact CD2-CZ3 4Å; Y737-W752 HydrophobicContact CG-CH2 4.24Å; Y737-W752 HydrophobicContact CG-CZ3 4.45Å; E739-W752 HydrophobicContact CG-CH2 4.17Å; H744-W752 HydrophobicContact CB-CE3 3.84Å; H744-W752 HydrophobicContact CB-CH2 4.3Å; H744-W752 HydrophobicContact CB-CZ3 3.43Å; H744-W752 VanDerWaalsContact CB-CZ3 3.43Å; K746-W752 HydrophobicContact CD-CD2 4.25Å; K746-W752 HydrophobicContact CD-CE3 4.25Å; K746-W752 HydrophobicContact CD-CH2 4.47Å; K746-W752 HydrophobicContact CD-CZ2 4.45Å; K746-W752 HydrophobicContact CD-CZ3 4.34Å; K746-W752 VanDerWaalsContact CE-CH2 3.48Å; K746-W752 HydrophobicContact CG-CD2 3.66Å; K746-W752 HydrophobicContact CG-CE3 3.35Å; K746-W752 HydrophobicContact CG-CG 4.29Å; K746-W752 HydrophobicContact CG-CH2 4.29Å; K746-W752 HydrophobicContact CG-CZ3 3.68Å
753I93.7Very high91Very high3 Ų328.9 Ų28.92%0.01515%0.151CC..EExtended strand (participates in β ladder)trans-135.4151.7-172.956.1159.7000114.4Y471 M490 K492 N655 V745 D747 Y751 Y755Y471-I753 HydrophobicContact CD2-CG2 3.76Å; Y471-I753 HydrophobicContact CE2-CG2 3.81Å; M490-I753 CarbonylContact O-C 3.16Å; M490-I753 VanDerWaalsContact O-CA 3.28Å; M490-I753 WeakPolarHBondContact O-CA 3.21Å; K492-I753 HydrophobicContact CB-CB 4.34Å; K492-I753 HydrophobicContact CB-CG2 4.26Å; K492-I753 HydrophobicContact CD-CD1 3.8Å; K492-I753 HydrophobicContact CD-CG2 4.16Å; N655-I753 PolarHBondContact ND2-O 3.39Å; V745-I753 HydrophobicContact CB-CG1 4.33Å; V745-I753 HydrophobicContact CG1-CD1 4.13Å; V745-I753 HydrophobicContact CG1-CG1 3.95Å; V745-I753 PolarHBondContact O-N 2.91Å; D747-I753 HydrophobicContact CB-CD1 3.61Å; D747-I753 HydrophobicContact CB-CG1 4Å; D747-I753 HydrophobicContact CB-CG2 4.07Å; Y751-I753 PolarHBondContact O-N 3.01Å; I753-Y755 HydrophobicContact CD1-CE1 4.13Å; I753-Y755 HydrophobicContact CD1-CE2 3.87Å; I753-Y755 WeakPolarHBondContact CD1-OH 3.21Å
754V94.5Very high91Very high4 Ų433.9 Ų33.92%0.02417%0.174CC..EExtended strand (participates in β ladder)trans-126.2134.3162.8178.40000108.9F468 A489 M490 K491 K492 I651 N655 L759F468-V754 HydrophobicContact CD1-CB 4.16Å; F468-V754 HydrophobicContact CD1-CG2 3.94Å; F468-V754 HydrophobicContact CE1-CB 4.22Å; F468-V754 HydrophobicContact CE1-CG2 3.61Å; F468-V754 HydrophobicContact CZ-CG2 4.27Å; A489-V754 HydrophobicContact CB-CG2 4.14Å; M490-V754 PolarHBondContact O-N 3Å; K491-V754 CarbonylContact C-O 3.58Å; K491-V754 VanDerWaalsContact CA-O 3.25Å; K491-V754 WeakPolarHBondContact CA-O 3.48Å; K492-V754 PolarHBondContact N-O 2.95Å; I651-V754 HydrophobicContact CG2-CG1 4.28Å; N655-V754 HydrophobicContact CB-CG1 4.45Å; N655-V754 WeakPolarHBondContact OD1-CA 3.33Å; V754-L759 HydrophobicContact CG1-CD1 4.4Å; V754-L759 HydrophobicContact CG1-CD2 3.95Å; V754-L759 HydrophobicContact CG1-CG 3.96Å
755Y94.9Very high91.1Very high2 Ų233.9 Ų33.91%0.00817%0.174CC..EExtended strand (participates in β ladder)trans-79141.8176.7-68.7-71.8000112.5K492 W496 N655 R658 R662 D734 I753 C757 A758 L759K492-Y755 HydrophobicContact CB-CD1 4.1Å; K492-Y755 HydrophobicContact CB-CE1 4.07Å; K492-Y755 HydrophobicContact CD-CE1 4.06Å; K492-Y755 HydrophobicContact CG-CE1 4.08Å; K492-Y755 WeakPolarHBondContact O-CA 3.49Å; K492-Y755 WeakPolarHBondContact O-CD1 3.16Å; W496-Y755 AromaticContact CH2-CD1 3.51Å; W496-Y755 HydrophobicContact CH2-CD1 3.51Å; W496-Y755 HydrophobicContact CH2-CD2 4.07Å; W496-Y755 AromaticContact CH2-CE1 3.61Å; W496-Y755 HydrophobicContact CH2-CE1 3.61Å; W496-Y755 HydrophobicContact CH2-CE2 4.17Å; W496-Y755 AromaticContact CH2-CG 3.75Å; W496-Y755 HydrophobicContact CH2-CG 3.75Å; W496-Y755 AromaticContact CH2-CZ 3.95Å; W496-Y755 AromaticContact CZ3-CD1 3.71Å; W496-Y755 HydrophobicContact CZ3-CD1 3.71Å; W496-Y755 AromaticContact CZ3-CE1 3.47Å; W496-Y755 HydrophobicContact CZ3-CE1 3.47Å; W496-Y755 VanDerWaalsContact CZ3-CE1 3.47Å; W496-Y755 HydrophobicContact CZ3-CG 4.41Å; W496-Y755 AromaticContact CZ3-CZ 3.99Å; N655-Y755 WeakPolarHBondContact OD1-CD2 3.4Å; N655-Y755 PolarHBondContact OD1-N 3.31Å; R658-Y755 HydrophobicContact CB-CD2 4.32Å; R662-Y755 WeakPolarHBondContact CD-OH 3.25Å; R662-Y755 PolarHBondContact NH1-OH 2.93Å; D734-Y755 PolarHBondContact OD2-OH 3.15Å; I753-Y755 HydrophobicContact CD1-CE1 4.13Å; I753-Y755 HydrophobicContact CD1-CE2 3.87Å; I753-Y755 WeakPolarHBondContact CD1-OH 3.21Å; Y755-C757 VanDerWaalsContact C-N 3.29Å; Y755-C757 PolarHBondContact O-N 3.01Å; Y755-A758 WeakPolarHBondContact O-CB 3.46Å; Y755-A758 PolarHBondContact O-N 3.49Å; Y755-A758 VanDerWaalsContact O-N 3.13Å; Y755-L759 PolarHBondContact O-N 2.82Å
756D91.9Very high91.1Very high53 Ų5334.9 Ų34.928%0.28318%0.179SC..Hα-helixtrans-59.2-38.2174.460.1-8.4000112.9K491 K492 P493 G494 A758 L759 N760K491-D756 HydrophobicContact CD-CB 4.2Å; K491-D756 HydrophobicContact CG-CB 4.2Å; K492-D756 PolarHBondContact O-N 3.05Å; K492-D756 VanDerWaalsContact O-N 3.11Å; P493-D756 WeakPolarHBondContact CA-OD2 3.2Å; G494-D756 PolarHBondContact N-OD1 3.46Å; D756-A758 PolarHBondContact O-N 3.36Å; D756-L759 PolarHBondContact O-N 2.61Å; D756-N760 PolarHBondContact O-N 3.03Å
757C93.2Very high91.2Very high8 Ų837.2 Ų37.25%0.05419%0.19CC..Hα-helixtrans-62-37.6173.257.40000113.1L497 Y755 L759 N760 D761L497-C757 HydrophobicContact CD1-CB 4.21Å; Y755-C757 VanDerWaalsContact C-N 3.29Å; Y755-C757 PolarHBondContact O-N 3.01Å; C757-L759 VanDerWaalsContact C-N 3.29Å; C757-L759 PolarHBondContact O-N 3.37Å; C757-N760 WeakPolarHBondContact O-CB 3.22Å; C757-N760 PolarHBondContact O-N 2.72Å; C757-D761 PolarHBondContact O-N 3.19Å
758A95.2Very high91.5Very high0 Ų037.4 Ų37.40%019%0.191CC..Hα-helixtrans-67.3-29.3176.700000112.9L654 N655 R658 Y755 D756 N760 F762L654-A758 HydrophobicContact CB-CB 4.5Å; N655-A758 HydrophobicContact CB-CB 4.06Å; R658-A758 HydrophobicContact CB-CB 4.45Å; R658-A758 HydrophobicContact CG-CB 4.11Å; Y755-A758 WeakPolarHBondContact O-CB 3.46Å; Y755-A758 PolarHBondContact O-N 3.49Å; Y755-A758 VanDerWaalsContact O-N 3.13Å; D756-A758 PolarHBondContact O-N 3.36Å; A758-N760 VanDerWaalsContact C-N 3.35Å; A758-F762 PolarHBondContact O-N 2.99Å; A758-F762 VanDerWaalsContact O-N 3.13Å
759L93.2Very high92.2Very high28 Ų2835.2 Ų35.215%0.14718%0.181CC..Hα-helixtrans-74.1-26172-62.8175000112.3F468 K491 I651 V754 Y755 D756 C757 K763F468-L759 HydrophobicContact CD2-CD1 3.99Å; F468-L759 HydrophobicContact CD2-CD2 4.08Å; F468-L759 HydrophobicContact CE2-CD2 3.79Å; K491-L759 HydrophobicContact CD-CD1 3.83Å; K491-L759 HydrophobicContact CG-CD1 4.18Å; I651-L759 HydrophobicContact CG2-CD2 3.96Å; V754-L759 HydrophobicContact CG1-CD1 4.4Å; V754-L759 HydrophobicContact CG1-CD2 3.95Å; V754-L759 HydrophobicContact CG1-CG 3.96Å; Y755-L759 PolarHBondContact O-N 2.82Å; D756-L759 PolarHBondContact O-N 2.61Å; C757-L759 VanDerWaalsContact C-N 3.29Å; C757-L759 PolarHBondContact O-N 3.37Å; L759-K763 WeakPolarHBondContact O-CG 3.16Å; L759-K763 PolarHBondContact O-N 3.2Å
760N93Very high92.8Very high83 Ų8331 Ų3144%0.44416%0.155SC..Hα-helixtrans-77.2-42.6172-64.6-25.3000111.2D756 C757 A758 F762 K763 E764D756-N760 PolarHBondContact O-N 3.03Å; C757-N760 WeakPolarHBondContact O-CB 3.22Å; C757-N760 PolarHBondContact O-N 2.72Å; A758-N760 VanDerWaalsContact C-N 3.35Å; N760-F762 PolarHBondContact O-N 2.92Å; N760-K763 WeakPolarHBondContact O-CB 3.33Å; N760-K763 PolarHBondContact O-N 2.76Å; N760-E764 PolarHBondContact O-N 3.32Å
761D94.5Very high93.2Very high34 Ų3430.3 Ų30.318%0.18215%0.146CC..Hα-helixtrans-54.5-40.9172.4-61.4-32.2000111.6L654 R658 C757 E764 L765L654-D761 HydrophobicContact CD1-CB 4.24Å; L654-D761 HydrophobicContact CD2-CB 4.36Å; R658-D761 WeakPolarHBondContact CG-OD2 3.3Å; R658-D761 IonicContact CZ-OD1 2.96Å; R658-D761 IonicContact CZ-OD2 3.32Å; R658-D761 IonicContact NE-OD1 2.72Å; R658-D761 IonicContact NE-OD2 3.57Å; R658-D761 PolarHBondContact NE-OD2 3.25Å; R658-D761 IonicContact NH2-OD1 2.87Å; R658-D761 PolarHBondContact NH2-OD1 3.14Å; R658-D761 IonicContact NH2-OD2 3.52Å; R658-D761 PolarHBondContact NH2-OD2 3.19Å; C757-D761 PolarHBondContact O-N 3.19Å; D761-E764 PolarHBondContact O-N 3.14Å; D761-L765 WeakPolarHBondContact O-CB 3.46Å; D761-L765 PolarHBondContact O-N 3.48Å
762F95.2Very high93.3Very high10 Ų1029.2 Ų29.24%0.04414%0.142CC..Hα-helixtrans-64.7-39.8176.6-178.9-94.1000112.9M647 C650 I651 L654 A758 N760 L765 E766 W823M647-F762 HydrophobicContact CB-CE2 4.16Å; M647-F762 HydrophobicContact CB-CZ 3.83Å; M647-F762 HydrophobicContact CE-CE1 4.21Å; M647-F762 HydrophobicContact CE-CZ 3.83Å; M647-F762 HydrophobicContact CG-CZ 4.04Å; M647-F762 WeakPolarHBondContact O-CE2 3.3Å; C650-F762 HydrophobicContact CB-CD2 4.32Å; C650-F762 HydrophobicContact CB-CE2 4.14Å; I651-F762 HydrophobicContact CD1-CD1 4.17Å; I651-F762 HydrophobicContact CD1-CD2 4.16Å; I651-F762 HydrophobicContact CD1-CE1 4.3Å; I651-F762 HydrophobicContact CD1-CE2 4.26Å; I651-F762 HydrophobicContact CD1-CG 4.11Å; I651-F762 HydrophobicContact CD1-CZ 4.34Å; I651-F762 HydrophobicContact CG1-CB 4.06Å; I651-F762 HydrophobicContact CG1-CD1 4.14Å; I651-F762 HydrophobicContact CG1-CD2 3.37Å; I651-F762 HydrophobicContact CG1-CE2 3.8Å; I651-F762 HydrophobicContact CG1-CG 3.56Å; I651-F762 HydrophobicContact CG1-CZ 4.36Å; L654-F762 HydrophobicContact CD1-CB 3.97Å; L654-F762 HydrophobicContact CD1-CD2 4.3Å; A758-F762 PolarHBondContact O-N 2.99Å; A758-F762 VanDerWaalsContact O-N 3.13Å; N760-F762 PolarHBondContact O-N 2.92Å; F762-L765 WeakPolarHBondContact O-CB 3.42Å; F762-L765 PolarHBondContact O-N 2.9Å; F762-E766 PolarHBondContact O-N 3.46Å; F762-W823 HydrophobicContact CD2-CH2 4.26Å; F762-W823 HydrophobicContact CE1-CH2 4.44Å; F762-W823 AromaticContact CE2-CH2 3.38Å; F762-W823 HydrophobicContact CE2-CH2 3.38Å; F762-W823 HydrophobicContact CE2-CZ2 4.3Å; F762-W823 AromaticContact CE2-CZ3 3.66Å; F762-W823 HydrophobicContact CE2-CZ3 3.66Å; F762-W823 AromaticContact CZ-CH2 3.48Å; F762-W823 HydrophobicContact CZ-CH2 3.48Å; F762-W823 VanDerWaalsContact CZ-CH2 3.48Å; F762-W823 AromaticContact CZ-CZ2 3.98Å; F762-W823 HydrophobicContact CZ-CZ2 3.98Å; F762-W823 HydrophobicContact CZ-CZ3 4.16Å
763K92.1Very high93.2Very high107 Ų10728.7 Ų28.747%0.46514%0.14SC..Hα-helixtrans-67.3-40.5176.7-70.1164.4178.71730112L759 N760 L765 H767L759-K763 WeakPolarHBondContact O-CG 3.16Å; L759-K763 PolarHBondContact O-N 3.2Å; N760-K763 WeakPolarHBondContact O-CB 3.33Å; N760-K763 PolarHBondContact O-N 2.76Å; K763-L765 VanDerWaalsContact C-N 3.33Å; K763-H767 PolarHBondContact O-N 3.37Å
764E92.3Very high93Very high111 Ų11128.6 Ų28.652%0.51914%0.14SC..Hα-helixtrans-64.7-39.4173.1-71.5-168.9-150.600111.6N760 D761 H767 D768N760-E764 PolarHBondContact O-N 3.32Å; D761-E764 PolarHBondContact O-N 3.14Å; E764-H767 PolarHBondContact O-N 3.45Å; E764-D768 PolarHBondContact O-N 3.37Å
765L94.4Very high92.6Very high8 Ų831.5 Ų31.54%0.04215%0.153CC..Hα-helixtrans-62.3-50.4174.1179.958.8000111.6L654 D761 F762 K763 H767 D768 L769 W823 E826 R867L654-L765 HydrophobicContact CD1-CD2 4.2Å; D761-L765 WeakPolarHBondContact O-CB 3.46Å; D761-L765 PolarHBondContact O-N 3.48Å; F762-L765 WeakPolarHBondContact O-CB 3.42Å; F762-L765 PolarHBondContact O-N 2.9Å; K763-L765 VanDerWaalsContact C-N 3.33Å; L765-H767 VanDerWaalsContact C-N 3.31Å; L765-H767 PolarHBondContact O-N 3.48Å; L765-D768 PolarHBondContact O-N 3.21Å; L765-D768 VanDerWaalsContact O-N 3.16Å; L765-L769 HydrophobicContact CD1-CD1 4.46Å; L765-L769 HydrophobicContact CD1-CD2 4.16Å; L765-L769 HydrophobicContact CD1-CG 4.08Å; L765-L769 HydrophobicContact CG-CD1 4.41Å; L765-L769 HydrophobicContact CG-CG 4.38Å; L765-L769 WeakPolarHBondContact O-CG 3.5Å; L765-L769 PolarHBondContact O-N 2.95Å; L765-W823 HydrophobicContact CD2-CZ3 4.35Å; L765-E826 HydrophobicContact CD1-CG 4.14Å; L765-E826 HydrophobicContact CD2-CG 4.12Å; L765-R867 VanDerWaalsContact CD1-NH2 3.35Å
766E94Very high92.1Very high24 Ų2431.6 Ų31.611%0.11215%0.153CC..Hα-helixtrans-56.4-44.1177.1-178.5171-168.400111.4S531 H535 F762 L769 L770 W823S531-E766 PolarHBondContact OG-OE1 2.9Å; H535-E766 IonicContact CD2-OE1 2.64Å; H535-E766 IonicContact CE1-OE1 3.82Å; H535-E766 IonicContact CE1-OE2 3.2Å; H535-E766 PolarHBondContact CE1-OE2 3.37Å; H535-E766 IonicContact NE2-OE1 3.61Å; H535-E766 PolarHBondContact NE2-OE1 3.1Å; H535-E766 IonicContact NE2-OE2 3.8Å; H535-E766 PolarHBondContact NE2-OE2 2.98Å; F762-E766 PolarHBondContact O-N 3.46Å; E766-L769 PolarHBondContact O-N 3.36Å; E766-L770 HydrophobicContact CG-CD1 4.14Å; E766-L770 VanDerWaalsContact O-CG 3.3Å; E766-L770 WeakPolarHBondContact O-CG 3.22Å; E766-L770 PolarHBondContact O-N 3.33Å; E766-W823 HydrophobicContact CB-CH2 4.24Å; E766-W823 HydrophobicContact CB-CZ2 4.04Å; E766-W823 HydrophobicContact CG-CZ2 4.07Å
767H92.6Very high91.6Very high97 Ų9729.3 Ų29.345%0.44914%0.141SC..Hα-helixtrans-62-44.9175.8-171.7-19000112.5K763 E764 L765 L770 L771K763-H767 PolarHBondContact O-N 3.37Å; E764-H767 PolarHBondContact O-N 3.45Å; L765-H767 VanDerWaalsContact C-N 3.31Å; L765-H767 PolarHBondContact O-N 3.48Å; H767-L770 PolarHBondContact O-N 3.15Å; H767-L771 WeakPolarHBondContact O-CG 3.48Å; H767-L771 PolarHBondContact O-N 2.88Å; H767-L771 VanDerWaalsContact O-N 3.13Å
768D92.7Very high90.8Very high4 Ų433.3 Ų33.32%0.02116%0.158CC..Hα-helixtrans-63.1-42.4177.2-79.9-11.8000111.9M514 R518 E764 L765 L771 I772 R867M514-D768 HydrophobicContact CE-CB 3.8Å; M514-D768 WeakPolarHBondContact CE-OD2 3.34Å; M514-D768 HydrophobicContact SD-CB 4.06Å; R518-D768 IonicContact CZ-OD1 2.69Å; R518-D768 VanDerWaalsContact CZ-OD1 3.23Å; R518-D768 IonicContact CZ-OD2 3.25Å; R518-D768 IonicContact NE-OD1 3.39Å; R518-D768 PolarHBondContact NE-OD1 3.34Å; R518-D768 IonicContact NH2-OD1 3.63Å; R518-D768 PolarHBondContact NH2-OD1 2.79Å; R518-D768 IonicContact NH2-OD2 2.7Å; R518-D768 PolarHBondContact NH2-OD2 3.43Å; E764-D768 PolarHBondContact O-N 3.37Å; L765-D768 PolarHBondContact O-N 3.21Å; L765-D768 VanDerWaalsContact O-N 3.16Å; D768-L771 PolarHBondContact O-N 2.97Å; D768-I772 WeakPolarHBondContact O-CD1 3.5Å; D768-I772 VanDerWaalsContact O-CG1 3.3Å; D768-I772 WeakPolarHBondContact O-CG1 3.38Å; D768-I772 PolarHBondContact O-N 3.33Å; D768-R867 IonicContact OD2-CZ 2.98Å; D768-R867 IonicContact OD2-NH1 3.81Å; D768-R867 PolarHBondContact OD2-NH1 3.27Å; D768-R867 IonicContact OD2-NH2 3.86Å
769L93.9Very high89.7Confident4 Ų436.1 Ų36.12%0.02117%0.173CC..Hα-helixtrans-63-41.7177.9-66.4-170.4000111.4L765 E766 L771 I772 A773 I822 W823 E826L765-L769 HydrophobicContact CD1-CD1 4.46Å; L765-L769 HydrophobicContact CD1-CD2 4.16Å; L765-L769 HydrophobicContact CD1-CG 4.08Å; L765-L769 HydrophobicContact CG-CD1 4.41Å; L765-L769 HydrophobicContact CG-CG 4.38Å; L765-L769 WeakPolarHBondContact O-CG 3.5Å; L765-L769 PolarHBondContact O-N 2.95Å; E766-L769 PolarHBondContact O-N 3.36Å; L769-L771 VanDerWaalsContact C-N 3.34Å; L769-L771 PolarHBondContact O-N 3.28Å; L769-I772 HydrophobicContact CD2-CD1 4.46Å; L769-I772 PolarHBondContact O-N 3.47Å; L769-A773 WeakPolarHBondContact O-CB 3.21Å; L769-A773 PolarHBondContact O-N 3.19Å; L769-I822 HydrophobicContact CB-CD1 3.99Å; L769-I822 HydrophobicContact CB-CG1 4.48Å; L769-I822 HydrophobicContact CD2-CD1 4.03Å; L769-I822 HydrophobicContact CD2-CG1 4.06Å; L769-I822 HydrophobicContact CG-CD1 4.49Å; L769-I822 WeakPolarHBondContact O-CD1 3.25Å; L769-W823 HydrophobicContact CD1-CD2 3.99Å; L769-W823 HydrophobicContact CD1-CE3 3.85Å; L769-W823 HydrophobicContact CD1-CH2 3.98Å; L769-W823 HydrophobicContact CD1-CZ2 4.12Å; L769-W823 HydrophobicContact CD1-CZ3 3.84Å; L769-E826 HydrophobicContact CD1-CB 4.17Å; L769-E826 HydrophobicContact CD1-CG 4.16Å; L769-E826 HydrophobicContact CD2-CG 4.36Å
770L93Very high88.2Confident9 Ų936.7 Ų36.75%0.04718%0.177CC..Hα-helixtrans-63.5-36.8176.4-71.6170.3000112.6I523 L527 L528 E766 H767 T774 L819I523-L770 HydrophobicContact CD1-CB 4.27Å; I523-L770 HydrophobicContact CG2-CB 4.06Å; L527-L770 HydrophobicContact CD2-CD2 3.84Å; L527-L770 HydrophobicContact CG-CD2 3.81Å; L528-L770 HydrophobicContact CD1-CD1 4.02Å; E766-L770 HydrophobicContact CG-CD1 4.14Å; E766-L770 VanDerWaalsContact O-CG 3.3Å; E766-L770 WeakPolarHBondContact O-CG 3.22Å; E766-L770 PolarHBondContact O-N 3.33Å; H767-L770 PolarHBondContact O-N 3.15Å; L770-T774 VanDerWaalsContact O-CB 3.25Å; L770-T774 WeakPolarHBondContact O-CB 3.14Å; L770-T774 PolarHBondContact O-N 3.12Å; L770-T774 PolarHBondContact O-OG1 3.24Å; L770-L819 HydrophobicContact CD2-CD2 4.1Å
771L92Very high86.4Confident6 Ų639.7 Ų39.73%0.03119%0.186CC..Hα-helixtrans-66.1-44172.8-71.7171.2000111.9L517 R518 I523 H767 D768 L769 K775L517-L771 HydrophobicContact CB-CB 4.36Å; L517-L771 HydrophobicContact CB-CD1 4.49Å; R518-L771 HydrophobicContact CG-CD1 3.88Å; I523-L771 HydrophobicContact CG1-CD2 4.01Å; H767-L771 WeakPolarHBondContact O-CG 3.48Å; H767-L771 PolarHBondContact O-N 2.88Å; H767-L771 VanDerWaalsContact O-N 3.13Å; D768-L771 PolarHBondContact O-N 2.97Å; L769-L771 VanDerWaalsContact C-N 3.34Å; L769-L771 PolarHBondContact O-N 3.28Å; L771-K775 WeakPolarHBondContact O-CB 3.07Å; L771-K775 PolarHBondContact O-N 3.49Å
772I91Very high84.1Confident6 Ų642.3 Ų42.33%0.03121%0.205CC..Hα-helixtrans-61.1-53.7177.3-69.8162.1000110.3M514 L517 D768 L769 T774 K775 F776 I822 L870M514-I772 HydrophobicContact CE-CD1 4.26Å; L517-I772 HydrophobicContact CD1-CG1 3.88Å; D768-I772 WeakPolarHBondContact O-CD1 3.5Å; D768-I772 VanDerWaalsContact O-CG1 3.3Å; D768-I772 WeakPolarHBondContact O-CG1 3.38Å; D768-I772 PolarHBondContact O-N 3.33Å; L769-I772 HydrophobicContact CD2-CD1 4.46Å; L769-I772 PolarHBondContact O-N 3.47Å; I772-T774 PolarHBondContact O-N 3.24Å; I772-K775 PolarHBondContact O-N 3.5Å; I772-F776 HydrophobicContact CG2-CD2 3.99Å; I772-F776 HydrophobicContact CG2-CE2 3.98Å; I772-F776 WeakPolarHBondContact O-CD2 2.95Å; I772-F776 PolarHBondContact O-N 3.24Å; I772-F776 VanDerWaalsContact O-N 3.1Å; I772-I822 HydrophobicContact CB-CD1 4.23Å; I772-I822 HydrophobicContact CG2-CD1 3.98Å; I772-L870 HydrophobicContact CD1-CD1 3.91Å; I772-L870 HydrophobicContact CG1-CD1 4.21Å; I772-L870 HydrophobicContact CG2-CD1 3.69Å
773A90.8Very high81.5Confident1 Ų147.2 Ų47.21%0.00824%0.236CC..Hα-helixtrans-58.4-45179.400000112.1L527 L769 K775 F776 L777 I818 I822L527-A773 HydrophobicContact CD2-CB 3.66Å; L769-A773 WeakPolarHBondContact O-CB 3.21Å; L769-A773 PolarHBondContact O-N 3.19Å; A773-K775 VanDerWaalsContact C-N 3.28Å; A773-K775 PolarHBondContact O-N 2.99Å; A773-F776 PolarHBondContact O-N 2.99Å; A773-L777 PolarHBondContact O-N 3.05Å; A773-I818 HydrophobicContact CB-CG2 3.73Å; A773-I822 HydrophobicContact CB-CD1 4.09Å
774T88.7Confident78.9Confident2 Ų250 Ų501%0.01226%0.255CS..Hα-helixtrans-59.2-38.3174.8-59.70000111.8R522 D524 L770 I772 L777 Q778R522-T774 WeakPolarHBondContact O-CG2 3.38Å; D524-T774 HydrophobicContact CB-CG2 4.12Å; D524-T774 PolarHBondContact N-OG1 3.47Å; L770-T774 VanDerWaalsContact O-CB 3.25Å; L770-T774 WeakPolarHBondContact O-CB 3.14Å; L770-T774 PolarHBondContact O-N 3.12Å; L770-T774 PolarHBondContact O-OG1 3.24Å; I772-T774 PolarHBondContact O-N 3.24Å; T774-L777 PolarHBondContact O-N 3.1Å; T774-Q778 HydrophobicContact CG2-CG 4.44Å; T774-Q778 WeakPolarHBondContact O-CG 3.37Å; T774-Q778 PolarHBondContact O-N 3.18Å
775K85Confident76.1Confident65 Ų6550.9 Ų50.928%0.28326%0.262SS..Hα-helixtrans-69.6-39.8179.9-177.554.1178.5151.40112.9L517 L771 I772 A773 L777 Q778 N779 L872L517-K775 HydrophobicContact CD2-CB 3.74Å; L517-K775 HydrophobicContact CD2-CG 3.89Å; L771-K775 WeakPolarHBondContact O-CB 3.07Å; L771-K775 PolarHBondContact O-N 3.49Å; I772-K775 PolarHBondContact O-N 3.5Å; A773-K775 VanDerWaalsContact C-N 3.28Å; A773-K775 PolarHBondContact O-N 2.99Å; K775-L777 VanDerWaalsContact C-N 3.35Å; K775-Q778 PolarHBondContact O-N 2.95Å; K775-N779 WeakPolarHBondContact CE-OD1 3.38Å; K775-N779 PolarHBondContact NZ-OD1 3.4Å; K775-N779 VanDerWaalsContact O-CG 3.28Å; K775-N779 PolarHBondContact O-N 3.33Å; K775-N779 VanDerWaalsContact O-N 3.13Å; K775-L872 HydrophobicContact CG-CD1 4.18Å; K775-L872 HydrophobicContact CG-CD2 4.22Å
776F85.7Confident73Confident3 Ų355 Ų551%0.01329%0.291CS..Hα-helixtrans-68.4-34174.4-79.6-81000112.4I772 A773 N779 L872 E874 F877I772-F776 HydrophobicContact CG2-CD2 3.99Å; I772-F776 HydrophobicContact CG2-CE2 3.98Å; I772-F776 WeakPolarHBondContact O-CD2 2.95Å; I772-F776 PolarHBondContact O-N 3.24Å; I772-F776 VanDerWaalsContact O-N 3.1Å; A773-F776 PolarHBondContact O-N 2.99Å; F776-N779 PolarHBondContact O-N 3.19Å; F776-L872 HydrophobicContact CD2-CD2 4.49Å; F776-L872 HydrophobicContact CE2-CD2 3.71Å; F776-L872 HydrophobicContact CZ-CD2 3.97Å; F776-E874 VanDerWaalsContact CE1-O 3.32Å; F776-E874 WeakPolarHBondContact CE1-O 3.48Å; F776-F877 HydrophobicContact CD2-CB 4.17Å; F776-F877 AromaticContact CD2-CD1 3.85Å; F776-F877 HydrophobicContact CD2-CD1 3.85Å; F776-F877 HydrophobicContact CE2-CB 3.76Å; F776-F877 HydrophobicContact CE2-CD1 4.31Å; F776-F877 HydrophobicContact CG-CD1 4.19Å; F776-F877 HydrophobicContact CZ-CB 3.99Å
777L81.3Confident70.1Confident5 Ų559 Ų593%0.02632%0.317CS..Hα-helixtrans-60.5-51.9171-173.665.8000111.4L408 D524 A773 T774 K775 N779 N780 H810 V813 I818L408-L777 HydrophobicContact CD1-CD1 4.13Å; D524-L777 HydrophobicContact CB-CD2 4.04Å; D524-L777 WeakPolarHBondContact OD2-CD2 3.43Å; A773-L777 PolarHBondContact O-N 3.05Å; T774-L777 PolarHBondContact O-N 3.1Å; K775-L777 VanDerWaalsContact C-N 3.35Å; L777-N779 VanDerWaalsContact C-N 3.27Å; L777-N779 PolarHBondContact O-N 3.12Å; L777-N780 PolarHBondContact O-N 3.08Å; L777-H810 HydrophobicContact CD1-CB 4.09Å; L777-V813 HydrophobicContact CD1-CB 4.3Å; L777-V813 HydrophobicContact CD1-CG1 3.85Å; L777-V813 HydrophobicContact CD1-CG2 4.39Å; L777-I818 HydrophobicContact CD1-CD1 4.31Å
778Q76.4Confident67.2Low92 Ų9261 Ų6143%0.4333%0.331SS..Hα-helixtrans-63.3-25.5179.6-73.1173.7800114.9T774 K775T774-Q778 HydrophobicContact CG2-CG 4.44Å; T774-Q778 WeakPolarHBondContact O-CG 3.37Å; T774-Q778 PolarHBondContact O-N 3.18Å; K775-Q778 PolarHBondContact O-N 2.95Å
779N71.7Confident64.4Low59 Ų5967.4 Ų67.432%0.31637%0.365SS..Hα-helixtrans-76.7-25.3179.2-79.7-7.6000112.8K775 F776 L777 K781 L872K775-N779 WeakPolarHBondContact CE-OD1 3.38Å; K775-N779 PolarHBondContact NZ-OD1 3.4Å; K775-N779 VanDerWaalsContact O-CG 3.28Å; K775-N779 PolarHBondContact O-N 3.33Å; K775-N779 VanDerWaalsContact O-N 3.13Å; F776-N779 PolarHBondContact O-N 3.19Å; L777-N779 VanDerWaalsContact C-N 3.27Å; L777-N779 PolarHBondContact O-N 3.12Å; N779-K781 PolarHBondContact O-N 2.75Å; N779-L872 PolarHBondContact ND2-O 3.11Å
780N62.3Low61.6Low40 Ų4076.8 Ų76.821%0.21441%0.406CS..  trans-81.7100-173.8-124.5-63.6000110.4L408 L777 H810 N875L408-N780 HydrophobicContact CD1-CB 3.55Å; L777-N780 PolarHBondContact O-N 3.08Å; N780-H810 PolarHBondContact O-CE1 3.45Å; N780-H810 VanDerWaalsContact O-CE1 3.24Å; N780-N875 PolarHBondContact ND2-O 2.91Å
781K54.9Low58.7Low146 Ų14685 Ų8564%0.63544%0.444SS*.  trans-65.2144.2170.7-66.9178.5-177.1171.60109.4N779 T783N779-K781 PolarHBondContact O-N 2.75Å; K781-T783 VanDerWaalsContact C-N 3.33Å; K781-T783 PolarHBondContact O-N 3.15Å; K781-T783 PolarHBondContact O-OG1 3.01Å
782P46.4Very low55.8Low89 Ų8995 Ų9558%0.57849%0.487SS*.  trans-63.494.7174.426.6-34000109.9L784P782-L784 PolarHBondContact O-N 2.69Å
783T40Very low53.2Low113 Ų113100.4 Ų100.469%0.69353%0.525SS*.  trans-75.4115.9170.8-57.70000106.1K781 I785K781-T783 VanDerWaalsContact C-N 3.33Å; K781-T783 PolarHBondContact O-N 3.15Å; K781-T783 PolarHBondContact O-OG1 3.01Å; T783-I785 VanDerWaalsContact C-N 3.29Å; T783-I785 PolarHBondContact O-N 2.9Å
784L37.4Very low50.4Low167 Ų167105.6 Ų105.687%0.87456%0.557SS**  trans-74.877.7-165.7-154.694.6000111.6P782 S786P782-L784 PolarHBondContact O-N 2.69Å; L784-S786 PolarHBondContact O-N 2.94Å; L784-S786 VanDerWaalsContact O-N 3.12Å
785I33.7Very low47.8Very low129 Ų129112.6 Ų112.666%0.66259%0.593SS**  trans-67109.9177-62.7173000108.1T783 V787T783-I785 VanDerWaalsContact C-N 3.29Å; T783-I785 PolarHBondContact O-N 2.9Å; I785-V787 VanDerWaalsContact C-N 3.28Å; I785-V787 HydrophobicContact CG2-CG2 4.21Å; I785-V787 PolarHBondContact O-N 2.95Å
786S29Very low45.3Very low94 Ų94114.8 Ų114.866%0.65761%0.612SS**  trans-74.674.3-176.9178.90000112.1L784 N788L784-S786 PolarHBondContact O-N 2.94Å; L784-S786 VanDerWaalsContact O-N 3.12Å; S786-N788 PolarHBondContact O-N 3.43Å
787V33.2Very low42.8Very low107 Ų107120.8 Ų120.865%0.64864%0.644SS**  trans-64.6126.8168.8-176.30000109.2I785 D789I785-V787 VanDerWaalsContact C-N 3.28Å; I785-V787 HydrophobicContact CG2-CG2 4.21Å; I785-V787 PolarHBondContact O-N 2.95Å; V787-D789 VanDerWaalsContact C-N 3.32Å; V787-D789 PolarHBondContact O-N 2.99Å
788N32.8Very low40.5Very low141 Ų141126.3 Ų126.375%0.75468%0.678SS**  trans-84.657.8-167.7-88.5-58.9000113.7S786S786-N788 PolarHBondContact O-N 3.43Å
789D32.8Very low38.6Very low138 Ų138129 Ų12974%0.73869%0.69SS**  trans-86.8118.4179.2-95.3-56.3000114.1V787 Q791V787-D789 VanDerWaalsContact C-N 3.32Å; V787-D789 PolarHBondContact O-N 2.99Å; D789-Q791 PolarHBondContact O-N 3.02Å
790K34.6Very low36.8Very low201 Ų201137.3 Ų137.387%0.87472%0.717SS**  trans-99.168.9-178.5-68.4176.4-178.5166.40111.6
791Q32.1Very low36.2Very low182 Ų182144.2 Ų144.285%0.8575%0.749SS**  trans-111.9138.7165.6-71.6-159.41.500112.6D789D789-Q791 PolarHBondContact O-N 3.02Å
792K31.7Very low36Very low214 Ų214142.1 Ų142.193%0.9374%0.744SS**  trans-90.8123.6-178.9-63.6172.1-178.1170.60109.4
793S35.9Very low36.4Very low120 Ų120139.5 Ų139.584%0.83973%0.725SS**  trans-131.4113.3158.548.20000109.5
794T32.5Very low37.6Very low110 Ų110138.3 Ų138.368%0.67572%0.715SS**  trans-81.7137.716741.80000109.2
795I34Very low38.9Very low150 Ų150130.7 Ų130.777%0.76968%0.675SS**  171.4120.8129.9-90.2157.4000111.5
796T33.3Very low40.5Very low111 Ų111125.4 Ų125.468%0.68165%0.651SS**  trans45.5116.6157.4610000122T798T796-T798 PolarHBondContact O-N 3.41Å
797D32.3Very low42.2Very low129 Ų129123 Ų12369%0.6963%0.634SS**  trans-58.5121.5148.6-146.82.6000110.7
798T34Very low43.9Very low120 Ų120120.6 Ų120.674%0.73661%0.613SS**  trans-171.5-9.8153.26.20000115.9T796T796-T798 PolarHBondContact O-N 3.41Å
799H35.8Very low45.6Very low148 Ų148113.9 Ų113.969%0.68558%0.577SS**  trans-101.5115.4178.2-89.6-111.2000112.7D802H799-D802 WeakPolarHBondContact CB-OD2 3.46Å; H799-D802 IonicContact CG-OD2 2.68Å; H799-D802 IonicContact ND1-OD1 3.52Å; H799-D802 PolarHBondContact ND1-OD1 2.93Å; H799-D802 IonicContact ND1-OD2 3.54Å
800R35Very low47.5Very low234 Ų234109 Ų10988%0.88355%0.55SS**  trans-95142.7165.9-73.7-175.5176.8171.52.2109.4
801E48.6Very low49.3Very low186 Ų186103.9 Ų103.987%0.86953%0.525SS*.SBendtrans78.210.4171.1-51.4-172.3-179.200117.4L803E801-L803 PolarHBondContact O-N 3.31Å
802D50.1Low51.4Low102 Ų102101.2 Ų101.255%0.54551%0.513SS..  trans-58.5130165.1-66.6-2.7000110.1H799H799-D802 WeakPolarHBondContact CB-OD2 3.46Å; H799-D802 IonicContact CG-OD2 2.68Å; H799-D802 IonicContact ND1-OD1 3.52Å; H799-D802 PolarHBondContact ND1-OD1 2.93Å; H799-D802 IonicContact ND1-OD2 3.54Å
803L55.7Low53.8Low34 Ų3491.5 Ų91.518%0.17847%0.471CS..  trans-80.8125.4-179.2-178.966.9000110E801 I805 Y808 A2014 L2015 R2018E801-L803 PolarHBondContact O-N 3.31Å; L803-I805 VanDerWaalsContact C-N 3.28Å; L803-I805 HydrophobicContact CD2-CG1 4.32Å; L803-I805 HydrophobicContact CG-CG1 4.39Å; L803-I805 PolarHBondContact O-N 3.1Å; L803-Y808 HydrophobicContact CD1-CD2 3.99Å; L803-Y808 HydrophobicContact CD1-CE2 3.98Å; L803-Y808 HydrophobicContact CD1-CG 4.46Å; L803-A2014 HydrophobicContact CD2-CB 4.46Å; L803-L2015 HydrophobicContact CD2-CD2 3.9Å; L803-L2015 HydrophobicContact CD2-CG 4.5Å; L803-R2018 HydrophobicContact CD1-CB 4.13Å; L803-R2018 HydrophobicContact CD1-CG 3.87Å; L803-R2018 HydrophobicContact CD2-CB 4.18Å; L803-R2018 HydrophobicContact CD2-CG 4.3Å
804D64.2Low56.1Low87 Ų8786.1 Ų86.147%0.46543%0.433SS..  trans-71.585.8169.3176.314.9000110.3A806 S807 Y808D804-A806 PolarHBondContact O-N 3.42Å; D804-A806 WeakPolarHBondContact OD1-CB 3.47Å; D804-A806 PolarHBondContact OD1-N 3.05Å; D804-A806 VanDerWaalsContact OD1-N 3.11Å; D804-S807 PolarHBondContact OD1-N 2.78Å; D804-S807 WeakPolarHBondContact OD2-CB 3.44Å; D804-S807 PolarHBondContact OD2-OG 3.03Å; D804-Y808 WeakPolarHBondContact O-CD2 3.31Å; D804-Y808 PolarHBondContact O-N 2.87Å
805I65.7Low58.7Low7 Ų781.5 Ų81.54%0.03640%0.403CS..Hα-helixtrans-60-32.3178.8-69.8165.9000111I559 T561 L803 A809 L2010 E2011 A2014I559-I805 HydrophobicContact CD1-CG2 3.76Å; I559-I805 HydrophobicContact CG2-CD1 3.76Å; I559-I805 HydrophobicContact CG2-CG2 4.29Å; T561-I805 HydrophobicContact CG2-CD1 3.9Å; L803-I805 VanDerWaalsContact C-N 3.28Å; L803-I805 HydrophobicContact CD2-CG1 4.32Å; L803-I805 HydrophobicContact CG-CG1 4.39Å; L803-I805 PolarHBondContact O-N 3.1Å; I805-A809 WeakPolarHBondContact O-CB 3.18Å; I805-A809 PolarHBondContact O-N 3.33Å; I805-L2010 HydrophobicContact CG2-CB 4.16Å; I805-E2011 HydrophobicContact CD1-CB 4Å; I805-E2011 HydrophobicContact CD1-CG 3.73Å; I805-E2011 HydrophobicContact CG1-CG 4.44Å; I805-E2011 HydrophobicContact CG2-CB 4.4Å; I805-A2014 HydrophobicContact CB-CB 4.06Å; I805-A2014 HydrophobicContact CG1-CB 4.11Å; I805-A2014 HydrophobicContact CG2-CB 3.83Å
806A66.7Low61.2Low19 Ų1975.2 Ų75.216%0.15737%0.371CS..Hα-helixtrans-68-43.1-174.400000113D804 R811D804-A806 PolarHBondContact O-N 3.42Å; D804-A806 WeakPolarHBondContact OD1-CB 3.47Å; D804-A806 PolarHBondContact OD1-N 3.05Å; D804-A806 VanDerWaalsContact OD1-N 3.11Å; A806-R811 WeakPolarHBondContact O-CB 3.35Å; A806-R811 PolarHBondContact O-N 3.22Å; A806-R811 VanDerWaalsContact O-N 3.12Å
807S66.1Low63.9Low43 Ų4370.1 Ų70.130%0.30134%0.34SS..Hα-helixtrans-76.2-42.3176.161.40000112.6D804 A809 H810D804-S807 PolarHBondContact OD1-N 2.78Å; D804-S807 WeakPolarHBondContact OD2-CB 3.44Å; D804-S807 PolarHBondContact OD2-OG 3.03Å; S807-A809 VanDerWaalsContact C-N 3.29Å; S807-A809 PolarHBondContact O-N 3Å; S807-H810 PolarHBondContact O-N 3.3Å; S807-H810 VanDerWaalsContact O-N 3.11Å
808Y67.7Low66.7Low57 Ų5764 Ų6422%0.22431%0.308CS..Hα-helixtrans-68.4-23.8178.8-81.5-96.3000113.5L803 D804 H810 A2017 R2018 E2021L803-Y808 HydrophobicContact CD1-CD2 3.99Å; L803-Y808 HydrophobicContact CD1-CE2 3.98Å; L803-Y808 HydrophobicContact CD1-CG 4.46Å; D804-Y808 WeakPolarHBondContact O-CD2 3.31Å; D804-Y808 PolarHBondContact O-N 2.87Å; Y808-H810 VanDerWaalsContact C-N 3.34Å; Y808-A2017 HydrophobicContact CD1-CB 3.96Å; Y808-A2017 WeakPolarHBondContact O-CB 3.46Å; Y808-R2018 HydrophobicContact CD1-CB 4.22Å; Y808-R2018 HydrophobicContact CE1-CB 4.24Å; Y808-R2018 PolarHBondContact OH-NH1 2.83Å; Y808-E2021 HydrophobicContact CE1-CB 4.46Å; Y808-E2021 VanDerWaalsContact OH-CD 3.23Å; Y808-E2021 PolarHBondContact OH-OE1 3.38Å; Y808-E2021 PolarHBondContact OH-OE2 3.44Å
809A68.7Low69.5Low0 Ų058.5 Ų58.50%027%0.273CS..THydrogen-bonded Turntrans-84.9-4.4172.900000114.1I805 S807 R815 L2010 T2013 A2014I805-A809 WeakPolarHBondContact O-CB 3.18Å; I805-A809 PolarHBondContact O-N 3.33Å; S807-A809 VanDerWaalsContact C-N 3.29Å; S807-A809 PolarHBondContact O-N 3Å; A809-R815 PolarHBondContact O-NH2 3.5Å; A809-L2010 HydrophobicContact CB-CB 4.19Å; A809-L2010 HydrophobicContact CB-CD2 3.69Å; A809-L2010 WeakPolarHBondContact CB-O 3.28Å; A809-T2013 HydrophobicContact CB-CG2 4.4Å; A809-A2014 HydrophobicContact CB-CB 4.2Å
810H72.5Confident72.2Confident36 Ų3653 Ų5317%0.16725%0.247CC..THydrogen-bonded Turntrans52.352.8-171.1-55.5-83.5000112L777 N780 S807 Y808 E812 V813 R815L777-H810 HydrophobicContact CD1-CB 4.09Å; N780-H810 PolarHBondContact O-CE1 3.45Å; N780-H810 VanDerWaalsContact O-CE1 3.24Å; S807-H810 PolarHBondContact O-N 3.3Å; S807-H810 VanDerWaalsContact O-N 3.11Å; Y808-H810 VanDerWaalsContact C-N 3.34Å; H810-E812 VanDerWaalsContact C-N 3.25Å; H810-E812 PolarHBondContact O-N 3.03Å; H810-V813 HydrophobicContact CB-CB 4.28Å; H810-V813 HydrophobicContact CB-CG2 3.89Å; H810-V813 PolarHBondContact O-N 3.38Å; H810-R815 PolarHBondContact O-NH1 3.33Å
811R73.6Confident74.9Confident93 Ų9343.6 Ų43.635%0.35121%0.214SC..THydrogen-bonded Turntrans-58.5-33.9-175.2-174.6-173.964.5-169.1-6.1113.6A806 V813A806-R811 WeakPolarHBondContact O-CB 3.35Å; A806-R811 PolarHBondContact O-N 3.22Å; A806-R811 VanDerWaalsContact O-N 3.12Å; R811-V813 VanDerWaalsContact C-N 3.31Å; R811-V813 PolarHBondContact O-N 3.1Å
812E75.2Confident77.1Confident125 Ų12534.8 Ų34.858%0.58417%0.173SC*.THydrogen-bonded Turntrans-80.6-8.3-175.7-71.1158.9-153.200114.1L410 Y411 H810L410-E812 WeakPolarHBondContact CA-O 3.37Å; Y411-E812 WeakPolarHBondContact CD2-O 3.43Å; Y411-E812 PolarHBondContact N-O 2.88Å; H810-E812 VanDerWaalsContact C-N 3.25Å; H810-E812 PolarHBondContact O-N 3.03Å
813V81.7Confident79.3Confident10 Ų1030 Ų306%0.06115%0.147CC..BIsolated β-bridgetrans-86122.7-176.81780000110.9L408 L410 L777 H810 R811 R815 I818L408-V813 HydrophobicContact CB-CG1 4.34Å; L408-V813 HydrophobicContact CD1-CG1 4.46Å; L408-V813 HydrophobicContact CD1-CG2 4.5Å; L410-V813 HydrophobicContact CD2-CG2 3.86Å; L777-V813 HydrophobicContact CD1-CB 4.3Å; L777-V813 HydrophobicContact CD1-CG1 3.85Å; L777-V813 HydrophobicContact CD1-CG2 4.39Å; H810-V813 HydrophobicContact CB-CB 4.28Å; H810-V813 HydrophobicContact CB-CG2 3.89Å; H810-V813 PolarHBondContact O-N 3.38Å; R811-V813 VanDerWaalsContact C-N 3.31Å; R811-V813 PolarHBondContact O-N 3.1Å; V813-R815 PolarHBondContact O-N 3.12Å; V813-R815 VanDerWaalsContact O-N 3.08Å; V813-I818 HydrophobicContact CG1-CD1 3.71Å; V813-I818 HydrophobicContact CG1-CG1 4.42Å
814D84.8Confident81.1Confident7 Ų729.5 Ų29.54%0.03715%0.146CC..  trans-77.296.4-179.3-175.6-5.9000111.1P409 Y411 R639 F816 G817 I818P409-D814 HydrophobicContact CB-CB 4.49Å; P409-D814 PolarHBondContact O-N 3.01Å; Y411-D814 HydrophobicContact CD1-CB 3.79Å; Y411-D814 HydrophobicContact CD2-CB 4.41Å; Y411-D814 HydrophobicContact CE1-CB 3.67Å; Y411-D814 VanDerWaalsContact CE1-CG 3.4Å; Y411-D814 WeakPolarHBondContact CE1-OD1 3.06Å; Y411-D814 HydrophobicContact CE2-CB 4.3Å; Y411-D814 HydrophobicContact CG-CB 4.18Å; R639-D814 IonicContact CZ-OD1 3.11Å; R639-D814 IonicContact CZ-OD2 3.44Å; R639-D814 IonicContact NH1-OD1 2.77Å; R639-D814 IonicContact NH1-OD2 2.7Å; R639-D814 PolarHBondContact NH1-OD2 3.44Å; R639-D814 IonicContact NH2-OD1 2.67Å; R639-D814 PolarHBondContact NH2-OD1 3.46Å; R639-D814 VanDerWaalsContact NH2-OD1 3.15Å; R639-D814 IonicContact NH2-OD2 3.34Å; R639-D814 PolarHBondContact NH2-OD2 3.29Å; D814-F816 VanDerWaalsContact C-N 3.3Å; D814-F816 PolarHBondContact O-N 2.98Å; D814-F816 WeakPolarHBondContact OD1-CA 3.37Å; D814-F816 WeakPolarHBondContact OD1-CB 3.38Å; D814-F816 PolarHBondContact OD1-N 3.25Å; D814-G817 VanDerWaalsContact CG-N 3.32Å; D814-G817 CarbonylContact O-C 3.55Å; D814-G817 VanDerWaalsContact O-CA 3.26Å; D814-G817 WeakPolarHBondContact O-CA 3.43Å; D814-G817 PolarHBondContact O-N 3.13Å; D814-G817 PolarHBondContact OD1-N 3.45Å; D814-I818 PolarHBondContact O-N 3.01Å
815R86.2Confident82.5Confident13 Ų1326.3 Ų26.35%0.04913%0.129CC..Hα-helixtrans-66.7-28.1179.5-72.1166.5167.384.6-10.1113D524 L527 A809 H810 V813 G817 I818 L819D524-R815 IonicContact OD1-CZ 3.86Å; D524-R815 IonicContact OD1-NE 3.84Å; D524-R815 PolarHBondContact OD1-NE 3Å; D524-R815 IonicContact OD1-NH2 2.71Å; D524-R815 IonicContact OD2-CZ 3.95Å; D524-R815 IonicContact OD2-NE 3.19Å; D524-R815 PolarHBondContact OD2-NE 3.45Å; D524-R815 IonicContact OD2-NH2 2.65Å; D524-R815 PolarHBondContact OD2-NH2 3.3Å; L527-R815 HydrophobicContact CD1-CB 4.14Å; L527-R815 HydrophobicContact CD1-CG 4.47Å; A809-R815 PolarHBondContact O-NH2 3.5Å; H810-R815 PolarHBondContact O-NH1 3.33Å; V813-R815 PolarHBondContact O-N 3.12Å; V813-R815 VanDerWaalsContact O-N 3.08Å; R815-G817 VanDerWaalsContact C-N 3.33Å; R815-I818 PolarHBondContact O-N 2.72Å; R815-L819 WeakPolarHBondContact O-CG 3.5Å; R815-L819 PolarHBondContact O-N 3.25Å
816F88.1Confident84Confident19 Ų1926 Ų268%0.08313%0.128CC..Hα-helixtrans-73.3-28.9169.5-70.9-76.2000111.5A530 L533 H549 D814 Y820A530-F816 HydrophobicContact CB-CD1 4.03Å; A530-F816 HydrophobicContact CB-CD2 4.49Å; A530-F816 HydrophobicContact CB-CE1 3.62Å; A530-F816 HydrophobicContact CB-CE2 4.12Å; A530-F816 HydrophobicContact CB-CG 4.44Å; A530-F816 HydrophobicContact CB-CZ 3.67Å; L533-F816 HydrophobicContact CD2-CE1 4.16Å; L533-F816 HydrophobicContact CD2-CZ 3.78Å; H549-F816 AromaticContact CD2-CD2 3.75Å; H549-F816 AromaticContact CD2-CE2 3.6Å; H549-F816 AromaticContact NE2-CD2 3.38Å; H549-F816 WeakPolarHBondContact NE2-CD2 3.48Å; H549-F816 AromaticContact NE2-CE2 3.48Å; H549-F816 WeakPolarHBondContact NE2-CE2 3.32Å; D814-F816 VanDerWaalsContact C-N 3.3Å; D814-F816 PolarHBondContact O-N 2.98Å; D814-F816 WeakPolarHBondContact OD1-CA 3.37Å; D814-F816 WeakPolarHBondContact OD1-CB 3.38Å; D814-F816 PolarHBondContact OD1-N 3.25Å; F816-Y820 VanDerWaalsContact O-CB 3.27Å; F816-Y820 WeakPolarHBondContact O-CB 3.44Å; F816-Y820 PolarHBondContact O-N 3.3Å
817G88.9Confident85.4Confident4 Ų425.2 Ų25.24%0.04112%0.121CC..Hα-helixtrans-60.3-50.5166.200000112D814 R815 L819 Y820 D821D814-G817 VanDerWaalsContact CG-N 3.32Å; D814-G817 CarbonylContact O-C 3.55Å; D814-G817 VanDerWaalsContact O-CA 3.26Å; D814-G817 WeakPolarHBondContact O-CA 3.43Å; D814-G817 PolarHBondContact O-N 3.13Å; D814-G817 PolarHBondContact OD1-N 3.45Å; R815-G817 VanDerWaalsContact C-N 3.33Å; G817-L819 VanDerWaalsContact C-N 3.34Å; G817-L819 PolarHBondContact O-N 3.42Å; G817-Y820 WeakPolarHBondContact O-CB 3.24Å; G817-Y820 PolarHBondContact O-N 3.18Å; G817-Y820 VanDerWaalsContact O-N 3.12Å; G817-D821 PolarHBondContact O-N 3.01Å
818I91.1Very high86.8Confident1 Ų124 Ų241%0.00511%0.114CC..Hα-helixtrans-60.1-44177.1-58.3172000111L408 P409 L527 A773 L777 V813 D814 R815 Y820 D821 I822 F877L408-I818 HydrophobicContact CD2-CD1 3.85Å; L408-I818 HydrophobicContact CD2-CG1 4.16Å; P409-I818 HydrophobicContact CG-CG1 3.82Å; L527-I818 HydrophobicContact CD1-CB 4.47Å; A773-I818 HydrophobicContact CB-CG2 3.73Å; L777-I818 HydrophobicContact CD1-CD1 4.31Å; V813-I818 HydrophobicContact CG1-CD1 3.71Å; V813-I818 HydrophobicContact CG1-CG1 4.42Å; D814-I818 PolarHBondContact O-N 3.01Å; R815-I818 PolarHBondContact O-N 2.72Å; I818-Y820 VanDerWaalsContact C-N 3.33Å; I818-Y820 PolarHBondContact O-N 3.13Å; I818-D821 PolarHBondContact O-N 3.49Å; I818-I822 WeakPolarHBondContact O-CB 3.47Å; I818-I822 WeakPolarHBondContact O-CG2 3.46Å; I818-I822 PolarHBondContact O-N 2.91Å; I818-F877 HydrophobicContact CG2-CE1 4.31Å
819L92.8Very high88.1Confident3 Ų321.3 Ų21.32%0.01610%0.103CC..Hα-helixtrans-61.8-41.2175.5-72172.7000111.6L527 A530 L643 L770 R815 G817 W823L527-L819 HydrophobicContact CD1-CD1 4.35Å; L527-L819 HydrophobicContact CD1-CD2 3.95Å; L527-L819 HydrophobicContact CD1-CG 3.78Å; L527-L819 HydrophobicContact CG-CD2 4.42Å; A530-L819 HydrophobicContact CB-CD1 3.61Å; L643-L819 HydrophobicContact CD2-CB 4.13Å; L770-L819 HydrophobicContact CD2-CD2 4.1Å; R815-L819 WeakPolarHBondContact O-CG 3.5Å; R815-L819 PolarHBondContact O-N 3.25Å; G817-L819 VanDerWaalsContact C-N 3.34Å; G817-L819 PolarHBondContact O-N 3.42Å; L819-W823 WeakPolarHBondContact O-CB 3.29Å; L819-W823 VanDerWaalsContact O-CD1 3.27Å; L819-W823 PolarHBondContact O-N 2.94Å
820Y92.5Very high89.5Confident33 Ų3321.5 Ų21.513%0.12910%0.104CC..Hα-helixtrans-64.7-46.3177.9179.4-96.3000111.6R639 K642 L643 L646 F816 G817 I818 S824R639-Y820 HydrophobicContact CG-CD2 3.8Å; R639-Y820 HydrophobicContact CG-CE2 4.44Å; R639-Y820 HydrophobicContact CG-CG 4.2Å; K642-Y820 HydrophobicContact CB-CE2 4.23Å; K642-Y820 HydrophobicContact CG-CE2 3.85Å; L643-Y820 HydrophobicContact CG-CD2 4.39Å; L646-Y820 HydrophobicContact CD1-CD2 4.47Å; L646-Y820 HydrophobicContact CD1-CE2 4.41Å; F816-Y820 VanDerWaalsContact O-CB 3.27Å; F816-Y820 WeakPolarHBondContact O-CB 3.44Å; F816-Y820 PolarHBondContact O-N 3.3Å; G817-Y820 WeakPolarHBondContact O-CB 3.24Å; G817-Y820 PolarHBondContact O-N 3.18Å; G817-Y820 VanDerWaalsContact O-N 3.12Å; I818-Y820 VanDerWaalsContact C-N 3.33Å; I818-Y820 PolarHBondContact O-N 3.13Å; Y820-S824 WeakPolarHBondContact O-CB 3.32Å; Y820-S824 PolarHBondContact O-N 3.19Å
821D91.8Very high90.5Very high36 Ų3623 Ų2319%0.19311%0.111CC..Hα-helixtrans-60.6-49.3176.1-75.2-21.2000111.5G817 I818 S824 N825 Y876 F877 V878G817-D821 PolarHBondContact O-N 3.01Å; I818-D821 PolarHBondContact O-N 3.49Å; D821-S824 PolarHBondContact O-N 3.43Å; D821-N825 WeakPolarHBondContact O-CB 3.4Å; D821-N825 PolarHBondContact O-N 3.26Å; D821-N825 PolarHBondContact O-ND2 3.34Å; D821-Y876 HydrophobicContact CB-CE1 4.44Å; D821-Y876 WeakPolarHBondContact CB-OH 3.44Å; D821-Y876 VanDerWaalsContact OD2-CE1 3.3Å; D821-Y876 WeakPolarHBondContact OD2-CE1 3.25Å; D821-Y876 PolarHBondContact OD2-OH 3.31Å; D821-F877 HydrophobicContact CB-CE2 4.17Å; D821-F877 HydrophobicContact CB-CZ 4.02Å; D821-V878 HydrophobicContact CB-CG2 4.32Å
822I94.1Very high91.5Very high1 Ų119.1 Ų19.11%0.00510%0.098CC..Hα-helixtrans-70.4-41.7-174.3-154.6169.7000111.7L769 I772 A773 I818 E826 F877L769-I822 HydrophobicContact CB-CD1 3.99Å; L769-I822 HydrophobicContact CB-CG1 4.48Å; L769-I822 HydrophobicContact CD2-CD1 4.03Å; L769-I822 HydrophobicContact CD2-CG1 4.06Å; L769-I822 HydrophobicContact CG-CD1 4.49Å; L769-I822 WeakPolarHBondContact O-CD1 3.25Å; I772-I822 HydrophobicContact CB-CD1 4.23Å; I772-I822 HydrophobicContact CG2-CD1 3.98Å; A773-I822 HydrophobicContact CB-CD1 4.09Å; I818-I822 WeakPolarHBondContact O-CB 3.47Å; I818-I822 WeakPolarHBondContact O-CG2 3.46Å; I818-I822 PolarHBondContact O-N 2.91Å; I822-E826 VanDerWaalsContact O-CB 3.28Å; I822-E826 WeakPolarHBondContact O-CB 3.38Å; I822-E826 PolarHBondContact O-N 2.89Å; I822-F877 HydrophobicContact CB-CE1 4.35Å; I822-F877 HydrophobicContact CB-CE2 3.84Å; I822-F877 HydrophobicContact CB-CZ 3.58Å; I822-F877 HydrophobicContact CD1-CE1 4.25Å; I822-F877 HydrophobicContact CD1-CZ 4.26Å; I822-F877 HydrophobicContact CG1-CD2 4.43Å; I822-F877 HydrophobicContact CG1-CE1 4.38Å; I822-F877 HydrophobicContact CG1-CE2 3.91Å; I822-F877 HydrophobicContact CG1-CZ 3.89Å
823W96.2Very high92.5Very high2 Ų213.3 Ų13.31%0.0087%0.07CC..Hα-helixtrans-67.6-42.1173.7-78.9116.1000111.8L643 L646 M647 C650 F762 L765 E766 L769 L819 N825 E826 T827L643-W823 HydrophobicContact CD2-CB 4.18Å; L643-W823 HydrophobicContact CD2-CG 4.28Å; L646-W823 HydrophobicContact CB-CB 4.28Å; L646-W823 HydrophobicContact CD1-CB 4.42Å; M647-W823 HydrophobicContact CE-CZ2 4.47Å; M647-W823 HydrophobicContact CG-CD2 3.81Å; M647-W823 HydrophobicContact CG-CE3 4.17Å; M647-W823 HydrophobicContact CG-CG 4.27Å; M647-W823 HydrophobicContact CG-CH2 4.32Å; M647-W823 HydrophobicContact CG-CZ2 3.95Å; M647-W823 HydrophobicContact CG-CZ3 4.42Å; C650-W823 HydrophobicContact CB-CZ3 4.2Å; F762-W823 HydrophobicContact CD2-CH2 4.26Å; F762-W823 HydrophobicContact CE1-CH2 4.44Å; F762-W823 AromaticContact CE2-CH2 3.38Å; F762-W823 HydrophobicContact CE2-CH2 3.38Å; F762-W823 HydrophobicContact CE2-CZ2 4.3Å; F762-W823 AromaticContact CE2-CZ3 3.66Å; F762-W823 HydrophobicContact CE2-CZ3 3.66Å; F762-W823 AromaticContact CZ-CH2 3.48Å; F762-W823 HydrophobicContact CZ-CH2 3.48Å; F762-W823 VanDerWaalsContact CZ-CH2 3.48Å; F762-W823 AromaticContact CZ-CZ2 3.98Å; F762-W823 HydrophobicContact CZ-CZ2 3.98Å; F762-W823 HydrophobicContact CZ-CZ3 4.16Å; L765-W823 HydrophobicContact CD2-CZ3 4.35Å; E766-W823 HydrophobicContact CB-CH2 4.24Å; E766-W823 HydrophobicContact CB-CZ2 4.04Å; E766-W823 HydrophobicContact CG-CZ2 4.07Å; L769-W823 HydrophobicContact CD1-CD2 3.99Å; L769-W823 HydrophobicContact CD1-CE3 3.85Å; L769-W823 HydrophobicContact CD1-CH2 3.98Å; L769-W823 HydrophobicContact CD1-CZ2 4.12Å; L769-W823 HydrophobicContact CD1-CZ3 3.84Å; L819-W823 WeakPolarHBondContact O-CB 3.29Å; L819-W823 VanDerWaalsContact O-CD1 3.27Å; L819-W823 PolarHBondContact O-N 2.94Å; W823-N825 VanDerWaalsContact C-N 3.31Å; W823-N825 PolarHBondContact O-N 2.92Å; W823-E826 PolarHBondContact O-N 3.49Å; W823-T827 WeakPolarHBondContact O-CB 3.43Å; W823-T827 PolarHBondContact O-N 3.43Å; W823-T827 PolarHBondContact O-OG1 3.02Å
824S94.2Very high93.2Very high23 Ų2313.4 Ų13.416%0.1617%0.07CC..Hα-helixtrans-65.3-35179.4-1690000112.6Y820 D821 A828Y820-S824 WeakPolarHBondContact O-CB 3.32Å; Y820-S824 PolarHBondContact O-N 3.19Å; D821-S824 PolarHBondContact O-N 3.43Å; S824-A828 WeakPolarHBondContact O-CB 3.41Å; S824-A828 PolarHBondContact O-N 3.49Å
825N94.7Very high93.6Very high21 Ų2115.7 Ų15.711%0.1128%0.082CC..Hα-helixtrans-76.5-37.5175.4-78.9-87.2000112.2D821 W823 F829 Y881D821-N825 WeakPolarHBondContact O-CB 3.4Å; D821-N825 PolarHBondContact O-N 3.26Å; D821-N825 PolarHBondContact O-ND2 3.34Å; W823-N825 VanDerWaalsContact C-N 3.31Å; W823-N825 PolarHBondContact O-N 2.92Å; N825-F829 WeakPolarHBondContact O-CB 3.08Å; N825-F829 PolarHBondContact O-N 3.32Å; N825-Y881 HydrophobicContact CB-CD1 3.72Å; N825-Y881 HydrophobicContact CB-CD2 4.27Å; N825-Y881 HydrophobicContact CB-CE1 4.3Å; N825-Y881 HydrophobicContact CB-CG 3.69Å; N825-Y881 WeakPolarHBondContact O-CD1 3.33Å
826E96.3Very high94Very high0 Ų015.2 Ų15.20%08%0.081CC..Hα-helixtrans-68.2-42.3174.8-171.968.9-149.300111.8L765 L769 I822 W823 A828 F829 Q830 Y881L765-E826 HydrophobicContact CD1-CG 4.14Å; L765-E826 HydrophobicContact CD2-CG 4.12Å; L769-E826 HydrophobicContact CD1-CB 4.17Å; L769-E826 HydrophobicContact CD1-CG 4.16Å; L769-E826 HydrophobicContact CD2-CG 4.36Å; I822-E826 VanDerWaalsContact O-CB 3.28Å; I822-E826 WeakPolarHBondContact O-CB 3.38Å; I822-E826 PolarHBondContact O-N 2.89Å; W823-E826 PolarHBondContact O-N 3.49Å; E826-A828 PolarHBondContact O-N 2.82Å; E826-F829 WeakPolarHBondContact O-CB 3.4Å; E826-F829 PolarHBondContact O-N 3.16Å; E826-F829 VanDerWaalsContact O-N 3.14Å; E826-Q830 HydrophobicContact CG-CG 4.38Å; E826-Q830 WeakPolarHBondContact O-CG 3.25Å; E826-Q830 PolarHBondContact O-N 3.06Å; E826-Q830 PolarHBondContact OE1-NE2 3.31Å; E826-Y881 HydrophobicContact CB-CE1 4.27Å; E826-Y881 VanDerWaalsContact OE2-CE1 3.29Å; E826-Y881 WeakPolarHBondContact OE2-CE1 3.28Å; E826-Y881 PolarHBondContact OE2-OH 3.36Å
827T96.1Very high94.4Very high3 Ų314.3 Ų14.32%0.0188%0.077CC..Hα-helixtrans-59.6-47.2174-53.40000110.8L646 T649 C650 W823 F829 Q830 E831L646-T827 HydrophobicContact CD2-CG2 3.97Å; L646-T827 PolarHBondContact O-OG1 2.8Å; T649-T827 HydrophobicContact CG2-CG2 3.64Å; C650-T827 PolarHBondContact SG-OG1 3.48Å; W823-T827 WeakPolarHBondContact O-CB 3.43Å; W823-T827 PolarHBondContact O-N 3.43Å; W823-T827 PolarHBondContact O-OG1 3.02Å; T827-F829 VanDerWaalsContact C-N 3.26Å; T827-F829 PolarHBondContact O-N 2.97Å; T827-Q830 PolarHBondContact O-N 3.06Å; T827-E831 HydrophobicContact CG2-CG 4.29Å; T827-E831 WeakPolarHBondContact O-CB 3.44Å; T827-E831 WeakPolarHBondContact O-CG 3.49Å; T827-E831 PolarHBondContact O-N 2.83Å
828A94.8Very high94.6Very high18 Ų1814.2 Ų14.215%0.1498%0.075CC..Hα-helixtrans-61.4-32.8175.900000113S824 E826 T832S824-A828 WeakPolarHBondContact O-CB 3.41Å; S824-A828 PolarHBondContact O-N 3.49Å; E826-A828 PolarHBondContact O-N 2.82Å; A828-T832 WeakPolarHBondContact O-CB 3.5Å; A828-T832 VanDerWaalsContact O-CG2 3.31Å; A828-T832 WeakPolarHBondContact O-CG2 3.41Å; A828-T832 PolarHBondContact O-N 2.83Å; A828-T832 PolarHBondContact O-OG1 3.47Å
829F96.6Very high94.8Very high0 Ų014.2 Ų14.20%08%0.075CC..Hα-helixtrans-69.8-44.8173.9178.9-106.1000112.1N825 E826 T827 T832 K833 K866 P868 Y881 E884 C885 L888N825-F829 WeakPolarHBondContact O-CB 3.08Å; N825-F829 PolarHBondContact O-N 3.32Å; E826-F829 WeakPolarHBondContact O-CB 3.4Å; E826-F829 PolarHBondContact O-N 3.16Å; E826-F829 VanDerWaalsContact O-N 3.14Å; T827-F829 VanDerWaalsContact C-N 3.26Å; T827-F829 PolarHBondContact O-N 2.97Å; F829-T832 WeakPolarHBondContact CA-OG1 3.37Å; F829-T832 PolarHBondContact O-N 3.36Å; F829-T832 PolarHBondContact O-OG1 3.25Å; F829-T832 VanDerWaalsContact O-OG1 3.1Å; F829-K833 HydrophobicContact CD1-CD 3.86Å; F829-K833 HydrophobicContact CE1-CD 3.42Å; F829-K833 VanDerWaalsContact CE1-CD 3.42Å; F829-K833 HydrophobicContact CE1-CG 4.37Å; F829-K833 HydrophobicContact CE2-CD 4.43Å; F829-K833 HydrophobicContact CZ-CD 3.75Å; F829-K833 HydrophobicContact CZ-CG 4.33Å; F829-K833 WeakPolarHBondContact O-CG 3.36Å; F829-K833 PolarHBondContact O-N 3.46Å; F829-K866 WeakPolarHBondContact CE1-O 3.41Å; F829-K866 HydrophobicContact CZ-CG 4.35Å; F829-P868 HydrophobicContact CE1-CG 4.49Å; F829-P868 HydrophobicContact CE2-CB 4.27Å; F829-P868 HydrophobicContact CZ-CB 4.32Å; F829-Y881 HydrophobicContact CB-CD1 4.19Å; F829-Y881 HydrophobicContact CB-CE1 4.28Å; F829-E884 HydrophobicContact CD2-CB 4.29Å; F829-E884 HydrophobicContact CE2-CB 4.15Å; F829-C885 VanDerWaalsContact CA-SG 3.54Å; F829-L888 HydrophobicContact CD2-CD1 3.89Å; F829-L888 HydrophobicContact CE2-CD1 3.67Å; F829-L888 HydrophobicContact CZ-CD1 4.47Å
830Q96.5Very high95Very high4 Ų414.4 Ų14.42%0.0198%0.076CC..Hα-helixtrans-68.6-38.9177.3-60-66.9-800111.7V653 E826 T827 K833 K834V653-Q830 HydrophobicContact CB-CB 4.39Å; V653-Q830 HydrophobicContact CG1-CB 3.95Å; E826-Q830 HydrophobicContact CG-CG 4.38Å; E826-Q830 WeakPolarHBondContact O-CG 3.25Å; E826-Q830 PolarHBondContact O-N 3.06Å; E826-Q830 PolarHBondContact OE1-NE2 3.31Å; T827-Q830 PolarHBondContact O-N 3.06Å; Q830-K833 WeakPolarHBondContact O-CB 3.4Å; Q830-K833 PolarHBondContact O-N 3.22Å; Q830-K833 VanDerWaalsContact OE1-CE 3.32Å; Q830-K834 WeakPolarHBondContact O-CB 3.46Å; Q830-K834 PolarHBondContact O-N 2.86Å
831E94.6Very high95Very high67 Ų6713.3 Ų13.331%0.3137%0.073SC..Hα-helixtrans-62.1-44171.9-74.8175.6178.700112.2T649 T827 K834 N835T649-E831 HydrophobicContact CG2-CG 4.38Å; T827-E831 HydrophobicContact CG2-CG 4.29Å; T827-E831 WeakPolarHBondContact O-CB 3.44Å; T827-E831 WeakPolarHBondContact O-CG 3.49Å; T827-E831 PolarHBondContact O-N 2.83Å; E831-K834 WeakPolarHBondContact O-CB 3.46Å; E831-K834 PolarHBondContact O-N 3.36Å; E831-N835 WeakPolarHBondContact O-CB 3.48Å; E831-N835 PolarHBondContact O-N 2.85Å; E831-N835 PolarHBondContact O-ND2 2.89Å
832T94.4Very high95Very high11 Ų1111.7 Ų11.77%0.0676%0.064CC..Hα-helixtrans-69.5-31.3177.250.20000112.8A828 F829 L836 R889A828-T832 WeakPolarHBondContact O-CB 3.5Å; A828-T832 VanDerWaalsContact O-CG2 3.31Å; A828-T832 WeakPolarHBondContact O-CG2 3.41Å; A828-T832 PolarHBondContact O-N 2.83Å; A828-T832 PolarHBondContact O-OG1 3.47Å; F829-T832 WeakPolarHBondContact CA-OG1 3.37Å; F829-T832 PolarHBondContact O-N 3.36Å; F829-T832 PolarHBondContact O-OG1 3.25Å; F829-T832 VanDerWaalsContact O-OG1 3.1Å; T832-L836 PolarHBondContact O-N 3.1Å; T832-R889 HydrophobicContact CG2-CG 3.66Å
833K96.4Very high95Very high3 Ų311.6 Ų11.61%0.0136%0.064CC..Hα-helixtrans-62.4-48.7165.8-74.2168.752.71800111.8F657 F829 Q830 N835 L836 M837 L863 M864 K866 L888F657-K833 HydrophobicContact CE2-CB 4.49Å; F657-K833 HydrophobicContact CZ-CB 3.91Å; F829-K833 HydrophobicContact CD1-CD 3.86Å; F829-K833 HydrophobicContact CE1-CD 3.42Å; F829-K833 VanDerWaalsContact CE1-CD 3.42Å; F829-K833 HydrophobicContact CE1-CG 4.37Å; F829-K833 HydrophobicContact CE2-CD 4.43Å; F829-K833 HydrophobicContact CZ-CD 3.75Å; F829-K833 HydrophobicContact CZ-CG 4.33Å; F829-K833 WeakPolarHBondContact O-CG 3.36Å; F829-K833 PolarHBondContact O-N 3.46Å; Q830-K833 WeakPolarHBondContact O-CB 3.4Å; Q830-K833 PolarHBondContact O-N 3.22Å; Q830-K833 VanDerWaalsContact OE1-CE 3.32Å; K833-N835 VanDerWaalsContact C-N 3.35Å; K833-N835 PolarHBondContact O-N 3.22Å; K833-L836 PolarHBondContact O-N 3.01Å; K833-M837 WeakPolarHBondContact O-CB 3.39Å; K833-M837 PolarHBondContact O-N 3.42Å; K833-L863 HydrophobicContact CB-CD1 4.42Å; K833-L863 WeakPolarHBondContact CE-O 3.32Å; K833-L863 HydrophobicContact CG-CD1 4.13Å; K833-M864 WeakPolarHBondContact CE-O 3.35Å; K833-M864 PolarHBondContact NZ-O 2.88Å; K833-K866 PolarHBondContact NZ-O 3.12Å; K833-L888 HydrophobicContact CG-CD1 3.65Å
834K95.5Very high94.9Very high13 Ų1311.8 Ų11.86%0.0576%0.064CC..Hα-helixtrans-57-47.7178.5178.9-87.5177.9-163.50111V653 Y656 F657 H738 I743 Q830 E831 L836 M837 D838V653-K834 HydrophobicContact CG1-CB 3.99Å; Y656-K834 HydrophobicContact CD1-CG 3.79Å; Y656-K834 HydrophobicContact CE1-CG 3.94Å; F657-K834 HydrophobicContact CE1-CB 4.37Å; F657-K834 HydrophobicContact CZ-CB 4.26Å; H738-K834 PolarHBondContact NE2-NZ 3.03Å; I743-K834 VanDerWaalsContact CD1-CE 3.42Å; Q830-K834 WeakPolarHBondContact O-CB 3.46Å; Q830-K834 PolarHBondContact O-N 2.86Å; E831-K834 WeakPolarHBondContact O-CB 3.46Å; E831-K834 PolarHBondContact O-N 3.36Å; K834-L836 PolarHBondContact O-N 3.02Å; K834-M837 CarbonylContact O-C 3.57Å; K834-M837 WeakPolarHBondContact O-CA 3.44Å; K834-M837 VanDerWaalsContact O-CB 3.31Å; K834-M837 WeakPolarHBondContact O-CB 3.29Å; K834-M837 PolarHBondContact O-N 3.5Å; K834-D838 WeakPolarHBondContact CD-OD2 3.32Å; K834-D838 WeakPolarHBondContact CE-OD1 3.24Å; K834-D838 WeakPolarHBondContact CE-OD2 3.27Å; K834-D838 VanDerWaalsContact NZ-CG 3.33Å; K834-D838 IonicContact NZ-OD1 2.73Å; K834-D838 PolarHBondContact NZ-OD1 3.2Å; K834-D838 IonicContact NZ-OD2 3.3Å; K834-D838 PolarHBondContact NZ-OD2 3.13Å; K834-D838 VanDerWaalsContact O-CG 3.22Å; K834-D838 PolarHBondContact O-N 3.29Å
835N93.9Very high94.7Very high55 Ų5512.3 Ų12.329%0.2947%0.065SC..Hα-helixtrans-64.4-23-179.1-69.2-34.5000113.8E831 K833 K892E831-N835 WeakPolarHBondContact O-CB 3.48Å; E831-N835 PolarHBondContact O-N 2.85Å; E831-N835 PolarHBondContact O-ND2 2.89Å; K833-N835 VanDerWaalsContact C-N 3.35Å; K833-N835 PolarHBondContact O-N 3.22Å; N835-K892 HydrophobicContact CB-CD 3.94Å; N835-K892 WeakPolarHBondContact O-CG 3.48Å
836L95.6Very high94.6Very high2 Ų211.5 Ų11.51%0.016%0.061CC..Hα-helixtrans-84.7-37.2169.4-18062000111.7T832 K833 K834 D838 I839 Y840 L863 L888 R891 K892T832-L836 PolarHBondContact O-N 3.1Å; K833-L836 PolarHBondContact O-N 3.01Å; K834-L836 PolarHBondContact O-N 3.02Å; L836-D838 VanDerWaalsContact C-N 3.34Å; L836-D838 PolarHBondContact O-N 3.5Å; L836-I839 PolarHBondContact O-N 3.38Å; L836-Y840 HydrophobicContact CD1-CE1 3.92Å; L836-Y840 HydrophobicContact CD1-CE2 4.33Å; L836-Y840 HydrophobicContact CD2-CE2 4.27Å; L836-Y840 HydrophobicContact CG-CE1 4.4Å; L836-Y840 HydrophobicContact CG-CE2 3.95Å; L836-Y840 PolarHBondContact O-N 3.16Å; L836-L863 HydrophobicContact CB-CD2 4.1Å; L836-L863 HydrophobicContact CD2-CD1 4.14Å; L836-L863 HydrophobicContact CD2-CD2 3.87Å; L836-L863 HydrophobicContact CG-CD2 3.81Å; L836-L888 HydrophobicContact CD2-CD2 4.05Å; L836-R891 HydrophobicContact CD2-CB 4.35Å; L836-K892 HydrophobicContact CB-CB 4.44Å; L836-K892 HydrophobicContact CD1-CB 4.18Å
837M95.4Very high94.3Very high0 Ų011.6 Ų11.60%06%0.061CC..Hα-helixtrans-59.5-41.7175.3-176.760.368.800112.2Y656 F657 I660 K833 K834 I839 Y840 V841 M860 L863 M864Y656-M837 HydrophobicContact CE1-CG 4.33Å; F657-M837 HydrophobicContact CD1-CE 4.4Å; F657-M837 HydrophobicContact CD1-CG 4.33Å; F657-M837 HydrophobicContact CE1-CB 4.04Å; F657-M837 HydrophobicContact CE1-CE 4.38Å; F657-M837 HydrophobicContact CE1-CG 4.1Å; I660-M837 HydrophobicContact CD1-CG 3.49Å; I660-M837 VanDerWaalsContact CD1-CG 3.49Å; I660-M837 HydrophobicContact CD1-SD 4.13Å; K833-M837 WeakPolarHBondContact O-CB 3.39Å; K833-M837 PolarHBondContact O-N 3.42Å; K834-M837 CarbonylContact O-C 3.57Å; K834-M837 WeakPolarHBondContact O-CA 3.44Å; K834-M837 VanDerWaalsContact O-CB 3.31Å; K834-M837 WeakPolarHBondContact O-CB 3.29Å; K834-M837 PolarHBondContact O-N 3.5Å; M837-I839 PolarHBondContact O-N 3.05Å; M837-Y840 CarbonylContact O-C 3.15Å; M837-Y840 WeakPolarHBondContact O-CA 3.31Å; M837-Y840 PolarHBondContact O-N 3.06Å; M837-V841 HydrophobicContact CG-CG2 3.99Å; M837-V841 WeakPolarHBondContact O-CG2 3.46Å; M837-V841 PolarHBondContact O-N 2.9Å; M837-V841 HydrophobicContact SD-CG2 4.05Å; M837-M860 HydrophobicContact CE-CB 4.19Å; M837-M860 WeakPolarHBondContact CE-O 3.26Å; M837-M860 HydrophobicContact SD-CB 4.02Å; M837-M860 HydrophobicContact SD-CE 3.85Å; M837-M860 HydrophobicContact SD-CG 4.03Å; M837-L863 HydrophobicContact CB-CD2 4.34Å; M837-L863 HydrophobicContact CE-CB 4.14Å; M837-L863 HydrophobicContact CE-CD2 3.98Å; M837-L863 HydrophobicContact CE-CG 4.1Å; M837-M864 HydrophobicContact CE-CE 3.88Å; M837-M864 HydrophobicContact CE-CG 3.49Å; M837-M864 VanDerWaalsContact CE-CG 3.49Å; M837-M864 HydrophobicContact SD-CE 4.24Å
838D94.3Very high93.9Very high3 Ų311.9 Ų11.92%0.0166%0.062CC..Hα-helixtrans-55.1-41.1-179.2-56.2-39.1000111.9Y656 K834 L836 V841 E842 N935 V940Y656-D838 PolarHBondContact OH-OD1 2.95Å; K834-D838 WeakPolarHBondContact CD-OD2 3.32Å; K834-D838 WeakPolarHBondContact CE-OD1 3.24Å; K834-D838 WeakPolarHBondContact CE-OD2 3.27Å; K834-D838 VanDerWaalsContact NZ-CG 3.33Å; K834-D838 IonicContact NZ-OD1 2.73Å; K834-D838 PolarHBondContact NZ-OD1 3.2Å; K834-D838 IonicContact NZ-OD2 3.3Å; K834-D838 PolarHBondContact NZ-OD2 3.13Å; K834-D838 VanDerWaalsContact O-CG 3.22Å; K834-D838 PolarHBondContact O-N 3.29Å; L836-D838 VanDerWaalsContact C-N 3.34Å; L836-D838 PolarHBondContact O-N 3.5Å; D838-V841 PolarHBondContact O-N 2.94Å; D838-E842 VanDerWaalsContact O-CB 3.31Å; D838-E842 WeakPolarHBondContact O-CB 3.33Å; D838-E842 PolarHBondContact O-N 3.43Å; D838-N935 PolarHBondContact O-ND2 2.8Å; D838-V940 HydrophobicContact CB-CB 4.21Å; D838-V940 HydrophobicContact CB-CG1 4.13Å; D838-V940 HydrophobicContact CB-CG2 3.8Å
839I94.4Very high93.5Very high0 Ų011.7 Ų11.70%06%0.06CC..Hα-helixtrans-64.5-41.2176.4-63169.6000110.6L836 M837 A843 K892 M895 K896 L899 V940 L941L836-I839 PolarHBondContact O-N 3.38Å; M837-I839 PolarHBondContact O-N 3.05Å; I839-A843 WeakPolarHBondContact O-CB 3.44Å; I839-A843 PolarHBondContact O-N 3.35Å; I839-K892 HydrophobicContact CD1-CB 4.39Å; I839-K892 HydrophobicContact CD1-CG 3.57Å; I839-K892 WeakPolarHBondContact CD1-O 3.48Å; I839-M895 HydrophobicContact CG2-CB 4.45Å; I839-K896 HydrophobicContact CD1-CB 3.97Å; I839-L899 HydrophobicContact CG2-CD1 3.9Å; I839-V940 HydrophobicContact CG1-CG1 3.71Å; I839-L941 HydrophobicContact CG2-CD2 4.1Å
840Y95.9Very high92.7Very high7 Ų713.2 Ų13.23%0.0277%0.066CC..Hα-helixtrans-71.8-36.5179.7-63.4-12.4000112.1L836 M837 Y844 L856 M860 L863 M895 T956 I960L836-Y840 HydrophobicContact CD1-CE1 3.92Å; L836-Y840 HydrophobicContact CD1-CE2 4.33Å; L836-Y840 HydrophobicContact CD2-CE2 4.27Å; L836-Y840 HydrophobicContact CG-CE1 4.4Å; L836-Y840 HydrophobicContact CG-CE2 3.95Å; L836-Y840 PolarHBondContact O-N 3.16Å; M837-Y840 CarbonylContact O-C 3.15Å; M837-Y840 WeakPolarHBondContact O-CA 3.31Å; M837-Y840 PolarHBondContact O-N 3.06Å; Y840-Y844 WeakPolarHBondContact O-CB 3.24Å; Y840-Y844 PolarHBondContact O-N 3.31Å; Y840-L856 HydrophobicContact CG-CD1 4.45Å; Y840-M860 HydrophobicContact CD2-CG 4.3Å; Y840-M860 HydrophobicContact CG-CG 4.49Å; Y840-L863 HydrophobicContact CD2-CD2 3.86Å; Y840-L863 HydrophobicContact CE2-CD2 3.77Å; Y840-M895 HydrophobicContact CE1-CG 4.41Å; Y840-T956 HydrophobicContact CD1-CG2 4.42Å; Y840-I960 HydrophobicContact CD1-CD1 4.35Å; Y840-I960 HydrophobicContact CE1-CD1 3.71Å; Y840-I960 HydrophobicContact CE1-CG1 4.32Å; Y840-I960 HydrophobicContact CE2-CD1 4.03Å
841V93.6Very high92Very high10 Ų1014.4 Ų14.46%0.0617%0.073CC..Hα-helixtrans-67.5-42.5172.6-179.90000110.9I660 M837 D838 Y844 N845 M860 N935I660-V841 HydrophobicContact CD1-CG2 3.93Å; I660-V841 HydrophobicContact CG1-CG2 4.13Å; I660-V841 HydrophobicContact CG2-CG2 4.09Å; M837-V841 HydrophobicContact CG-CG2 3.99Å; M837-V841 WeakPolarHBondContact O-CG2 3.46Å; M837-V841 PolarHBondContact O-N 2.9Å; M837-V841 HydrophobicContact SD-CG2 4.05Å; D838-V841 PolarHBondContact O-N 2.94Å; V841-Y844 WeakPolarHBondContact O-CB 3.36Å; V841-Y844 PolarHBondContact O-N 2.95Å; V841-N845 VanDerWaalsContact O-CG 3.27Å; V841-N845 PolarHBondContact O-N 3.32Å; V841-M860 HydrophobicContact CB-CE 4.28Å; V841-M860 HydrophobicContact CG2-CE 3.5Å; V841-M860 VanDerWaalsContact CG2-CE 3.5Å; V841-N935 HydrophobicContact CG1-CB 4.16Å; V841-N935 VanDerWaalsContact CG1-OD1 3.32Å; V841-N935 WeakPolarHBondContact CG1-OD1 3.31Å
842E92.3Very high91.7Very high2 Ų211.8 Ų11.81%0.0096%0.062CC..Hα-helixtrans-62.6-44.4176.3-175157.2-146.400111.5D838 N845 H846 P934 V940 L941D838-E842 VanDerWaalsContact O-CB 3.31Å; D838-E842 WeakPolarHBondContact O-CB 3.33Å; D838-E842 PolarHBondContact O-N 3.43Å; E842-N845 PolarHBondContact O-N 2.82Å; E842-H846 PolarHBondContact O-CD2 3.43Å; E842-P934 HydrophobicContact CG-CG 3.87Å; E842-P934 VanDerWaalsContact OE1-CD 3.25Å; E842-P934 WeakPolarHBondContact OE1-CD 3.31Å; E842-P934 WeakPolarHBondContact OE1-CG 3.5Å; E842-V940 PolarHBondContact OE2-N 2.8Å; E842-V940 VanDerWaalsContact OE2-N 3.17Å; E842-L941 HydrophobicContact CG-CB 4.44Å; E842-L941 HydrophobicContact CG-CD1 4.16Å; E842-L941 HydrophobicContact CG-CG 4.31Å; E842-L941 PolarHBondContact OE2-N 2.93Å
843A93.7Very high91.4Very high0 Ų012.4 Ų12.40%06%0.063CC..Hα-helixtrans-62.9-44.5171.900000112.5I839 N845 H846 I847 L856 L899 T956I839-A843 WeakPolarHBondContact O-CB 3.44Å; I839-A843 PolarHBondContact O-N 3.35Å; A843-N845 VanDerWaalsContact C-N 3.25Å; A843-N845 PolarHBondContact O-N 2.91Å; A843-H846 PolarHBondContact O-N 3.02Å; A843-I847 WeakPolarHBondContact O-CG1 3.45Å; A843-I847 PolarHBondContact O-N 3.19Å; A843-L856 HydrophobicContact CB-CD2 4.18Å; A843-L899 HydrophobicContact CB-CD1 4.23Å; A843-T956 HydrophobicContact CB-CG2 4.37Å
844Y93.6Very high91Very high6 Ų613.3 Ų13.32%0.0247%0.066CC..Hα-helixtrans-56.2-38.8177.5179.1-90.2000112.4L664 N667 Y840 V841 H846 I847 R853 A857 M860L664-Y844 HydrophobicContact CD2-CD1 4.39Å; L664-Y844 HydrophobicContact CD2-CD2 4Å; L664-Y844 HydrophobicContact CD2-CE1 3.88Å; L664-Y844 HydrophobicContact CD2-CE2 3.42Å; L664-Y844 VanDerWaalsContact CD2-CE2 3.42Å; L664-Y844 HydrophobicContact CD2-CG 4.45Å; N667-Y844 WeakPolarHBondContact CB-OH 3.49Å; Y840-Y844 WeakPolarHBondContact O-CB 3.24Å; Y840-Y844 PolarHBondContact O-N 3.31Å; V841-Y844 WeakPolarHBondContact O-CB 3.36Å; V841-Y844 PolarHBondContact O-N 2.95Å; Y844-H846 PolarHBondContact O-N 2.96Å; Y844-I847 PolarHBondContact O-N 2.97Å; Y844-R853 HydrophobicContact CD2-CG 3.72Å; Y844-R853 HydrophobicContact CE2-CB 4.49Å; Y844-R853 HydrophobicContact CE2-CG 3.25Å; Y844-R853 HydrophobicContact CG-CG 4.5Å; Y844-R853 PolarHBondContact OH-NE 3.28Å; Y844-A857 HydrophobicContact CE2-CB 4.09Å; Y844-M860 HydrophobicContact CD2-SD 4.01Å; Y844-M860 HydrophobicContact CG-SD 4.24Å
845N90.9Very high90.7Very high34 Ų3415.9 Ų15.918%0.1828%0.077CC..THydrogen-bonded Turntrans-70.7-4.9176.6-70.6-9.5000114.3V841 E842 A843 P934 F949V841-N845 VanDerWaalsContact O-CG 3.27Å; V841-N845 PolarHBondContact O-N 3.32Å; E842-N845 PolarHBondContact O-N 2.82Å; A843-N845 VanDerWaalsContact C-N 3.25Å; A843-N845 PolarHBondContact O-N 2.91Å; N845-P934 PolarHBondContact ND2-O 3.34Å; N845-F949 WeakPolarHBondContact O-CE1 3.23Å
846H90.9Very high90.7Very high4 Ų413.2 Ų13.22%0.0196%0.063CC..THydrogen-bonded Turntrans-108.9-19.1172.1-72.3-65.5000114.2E842 A843 Y844 I848 H950 L953E842-H846 PolarHBondContact O-CD2 3.43Å; A843-H846 PolarHBondContact O-N 3.02Å; Y844-H846 PolarHBondContact O-N 2.96Å; H846-I848 WeakPolarHBondContact O-CG1 3.35Å; H846-I848 PolarHBondContact O-N 3.36Å; H846-H950 HydrophobicContact CB-CB 4.48Å; H846-L953 HydrophobicContact CB-CD1 3.81Å
847I91.3Very high90.6Very high1 Ų113.2 Ų13.21%0.0056%0.063CC..  trans-75.4121.1-178.5-61.6173.3000110.5A843 Y844 S849 R853 L856 A954A843-I847 WeakPolarHBondContact O-CG1 3.45Å; A843-I847 PolarHBondContact O-N 3.19Å; Y844-I847 PolarHBondContact O-N 2.97Å; I847-S849 WeakPolarHBondContact CG2-O 3.29Å; I847-R853 HydrophobicContact CB-CB 4.36Å; I847-R853 HydrophobicContact CG2-CB 3.85Å; I847-R853 PolarHBondContact O-NH1 3.44Å; I847-L856 HydrophobicContact CD1-CB 4.31Å; I847-L856 HydrophobicContact CD1-CD2 3.59Å; I847-A954 HydrophobicContact CG2-CB 4.23Å
848I87.9Confident90.5Very high9 Ų914.7 Ų14.75%0.0467%0.07CC..  trans-96.6-28.9-179.8-38.7-176.5000111.7Q108 I111 L112 H846 R850 P951Q108-I848 HydrophobicContact CB-CG2 3.85Å; Q108-I848 HydrophobicContact CG-CG2 4.27Å; Q108-I848 WeakPolarHBondContact O-CG2 3.44Å; I111-I848 HydrophobicContact CB-CG2 4.14Å; I111-I848 WeakPolarHBondContact CD1-O 3.38Å; I111-I848 HydrophobicContact CG2-CG2 4.05Å; L112-I848 HydrophobicContact CB-CD1 4.3Å; L112-I848 HydrophobicContact CB-CG2 3.93Å; L112-I848 HydrophobicContact CD1-CD1 3.96Å; L112-I848 HydrophobicContact CD2-CD1 3.98Å; L112-I848 HydrophobicContact CG-CD1 4.3Å; H846-I848 WeakPolarHBondContact O-CG1 3.35Å; H846-I848 PolarHBondContact O-N 3.36Å; I848-R850 PolarHBondContact O-N 3.48Å; I848-P951 HydrophobicContact CD1-CB 4.47Å; I848-P951 HydrophobicContact CD1-CG 3.87Å
849S85.6Confident90.5Very high15 Ų1516.2 Ų16.211%0.1058%0.078CC..  trans-70.4118.4175.6172.10000111.6I847 D851 S852 R853 E1603I847-S849 WeakPolarHBondContact CG2-O 3.29Å; S849-D851 VanDerWaalsContact C-N 3.3Å; S849-D851 PolarHBondContact O-N 2.68Å; S849-S852 PolarHBondContact O-N 2.94Å; S849-S852 PolarHBondContact OG-OG 3.32Å; S849-R853 VanDerWaalsContact O-CB 3.23Å; S849-R853 WeakPolarHBondContact O-CB 3.41Å; S849-R853 PolarHBondContact O-N 2.93Å; S849-E1603 WeakPolarHBondContact CB-OE1 3.32Å; S849-E1603 PolarHBondContact OG-OE1 3.47Å
850R81Confident90.5Very high31 Ų3116.2 Ų16.212%0.1178%0.078CC..Hα-helixtrans-50.7-47.6177.9-179.4-164.165.2-156.7-1112.3I111 N686 I848 R853 R854I111-R850 HydrophobicContact CD1-CB 4.24Å; N686-R850 VanDerWaalsContact O-CZ 3.28Å; N686-R850 PolarHBondContact O-NH1 2.9Å; I848-R850 PolarHBondContact O-N 3.48Å; R850-R853 PolarHBondContact O-N 3.5Å; R850-R854 WeakPolarHBondContact O-CB 3.37Å; R850-R854 PolarHBondContact O-N 3.13Å
851D81.5Confident90.5Very high30 Ų3016.1 Ų16.116%0.168%0.078CC..Hα-helixtrans-71.1-40.9-172.8-51.6-35.8000110.9R688 S849 K855R688-D851 VanDerWaalsContact CD-OD2 3.29Å; R688-D851 WeakPolarHBondContact CD-OD2 3.48Å; R688-D851 IonicContact CZ-OD2 3.91Å; R688-D851 IonicContact NE-OD2 3.5Å; R688-D851 IonicContact NH1-OD2 3.18Å; R688-D851 PolarHBondContact NH1-OD2 2.7Å; S849-D851 VanDerWaalsContact C-N 3.3Å; S849-D851 PolarHBondContact O-N 2.68Å; D851-K855 WeakPolarHBondContact O-CG 3.48Å; D851-K855 PolarHBondContact O-N 3.35Å
852S87.9Confident90.5Very high12 Ų1217.5 Ų17.58%0.0849%0.085CC..Hα-helixtrans-64.7-39.9172.8-53.50000111.8S849 K855 L856 E1603S849-S852 PolarHBondContact O-N 2.94Å; S849-S852 PolarHBondContact OG-OG 3.32Å; S852-K855 PolarHBondContact O-N 2.77Å; S852-L856 PolarHBondContact O-N 2.72Å; S852-E1603 PolarHBondContact OG-OE1 3.23Å
853R88.5Confident90.7Very high23 Ų2318 Ų189%0.0879%0.088CC..Hα-helixtrans-67.1-40.7178.4-171.2169.2175.6153.5-7.3111.8N667 Y844 I847 S849 R850 L856 A857N667-R853 PolarHBondContact OD1-NH2 2.87Å; Y844-R853 HydrophobicContact CD2-CG 3.72Å; Y844-R853 HydrophobicContact CE2-CB 4.49Å; Y844-R853 HydrophobicContact CE2-CG 3.25Å; Y844-R853 HydrophobicContact CG-CG 4.5Å; Y844-R853 PolarHBondContact OH-NE 3.28Å; I847-R853 HydrophobicContact CB-CB 4.36Å; I847-R853 HydrophobicContact CG2-CB 3.85Å; I847-R853 PolarHBondContact O-NH1 3.44Å; S849-R853 VanDerWaalsContact O-CB 3.23Å; S849-R853 WeakPolarHBondContact O-CB 3.41Å; S849-R853 PolarHBondContact O-N 2.93Å; R850-R853 PolarHBondContact O-N 3.5Å; R853-L856 PolarHBondContact O-N 3.32Å; R853-A857 WeakPolarHBondContact O-CB 3.34Å; R853-A857 PolarHBondContact O-N 3.21Å
854R87.4Confident90.7Very high22 Ų2218.7 Ų18.78%0.0839%0.091CC..Hα-helixtrans-66.2-40.2173-175.3176.7174.189.113.4112.2L502 D668 H687 V691 R850 L856 A857 Q858L502-R854 HydrophobicContact CD2-CG 4.46Å; D668-R854 IonicContact OD1-CZ 3.58Å; D668-R854 IonicContact OD1-NH1 2.68Å; D668-R854 PolarHBondContact OD1-NH1 3.36Å; D668-R854 IonicContact OD2-CZ 2.81Å; D668-R854 IonicContact OD2-NH1 2.72Å; D668-R854 PolarHBondContact OD2-NH1 3.06Å; H687-R854 PolarHBondContact CD2-NH1 2.96Å; H687-R854 WeakPolarHBondContact ND1-CD 3.24Å; H687-R854 PolarHBondContact NE2-NH1 3.36Å; V691-R854 PolarHBondContact O-NH2 3.41Å; R850-R854 WeakPolarHBondContact O-CB 3.37Å; R850-R854 PolarHBondContact O-N 3.13Å; R854-L856 PolarHBondContact O-N 2.82Å; R854-A857 PolarHBondContact O-N 3.41Å; R854-Q858 PolarHBondContact O-N 3.02Å
855K89Confident90.7Very high67 Ų6722.8 Ų22.829%0.29111%0.107SC..Hα-helixtrans-57.9-46.1172.1-78.8-173.1173.9-162.70111.7D851 S852 Q858 M859 P957D851-K855 WeakPolarHBondContact O-CG 3.48Å; D851-K855 PolarHBondContact O-N 3.35Å; S852-K855 PolarHBondContact O-N 2.77Å; K855-Q858 PolarHBondContact O-N 2.89Å; K855-M859 PolarHBondContact O-N 3.44Å; K855-P957 HydrophobicContact CB-CB 3.84Å; K855-P957 HydrophobicContact CB-CG 3.93Å; K855-P957 HydrophobicContact CD-CB 4.38Å
856L93.9Very high90.7Very high0 Ų023.6 Ų23.60%011%0.109CC..Hα-helixtrans-65.1-42.1177.6-169.154.5000111.7Y840 A843 I847 S852 R853 R854 Q858 M859 M860 T956 P957 I960Y840-L856 HydrophobicContact CG-CD1 4.45Å; A843-L856 HydrophobicContact CB-CD2 4.18Å; I847-L856 HydrophobicContact CD1-CB 4.31Å; I847-L856 HydrophobicContact CD1-CD2 3.59Å; S852-L856 PolarHBondContact O-N 2.72Å; R853-L856 PolarHBondContact O-N 3.32Å; R854-L856 PolarHBondContact O-N 2.82Å; L856-Q858 VanDerWaalsContact C-N 3.29Å; L856-Q858 PolarHBondContact O-N 3.41Å; L856-M859 PolarHBondContact O-N 3.43Å; L856-M859 VanDerWaalsContact O-N 3.1Å; L856-M860 HydrophobicContact CD1-CG 4.49Å; L856-M860 HydrophobicContact CG-CG 4.32Å; L856-M860 HydrophobicContact CG-SD 3.92Å; L856-M860 VanDerWaalsContact O-CG 3.26Å; L856-M860 WeakPolarHBondContact O-CG 3.38Å; L856-M860 PolarHBondContact O-N 3.18Å; L856-T956 HydrophobicContact CD1-CG2 3.84Å; L856-T956 HydrophobicContact CD2-CG2 4.35Å; L856-P957 HydrophobicContact CB-CG 3.92Å; L856-P957 HydrophobicContact CD1-CG 4.45Å; L856-I960 HydrophobicContact CD1-CD1 4.11Å
857A93.6Very high90.8Very high2 Ų225.9 Ų25.92%0.01712%0.117CC..Hα-helixtrans-58.1-37.9176.500000113.1L502 L664 Y844 R853 R854 T861L502-A857 HydrophobicContact CD1-CB 3.58Å; L664-A857 HydrophobicContact CD1-CB 4.21Å; L664-A857 HydrophobicContact CD2-CB 3.87Å; L664-A857 HydrophobicContact CG-CB 4.5Å; Y844-A857 HydrophobicContact CE2-CB 4.09Å; R853-A857 WeakPolarHBondContact O-CB 3.34Å; R853-A857 PolarHBondContact O-N 3.21Å; R854-A857 PolarHBondContact O-N 3.41Å; A857-T861 PolarHBondContact O-N 3.45Å; A857-T861 PolarHBondContact O-OG1 3.4Å
858Q92.9Very high90.8Very high30 Ų3026.2 Ų26.214%0.1412%0.12CC..Hα-helixtrans-64-47.1173-179.261.266.200111.5L502 K503 R854 K855 L856 M860 T861 D862L502-Q858 HydrophobicContact CD2-CB 4.4Å; K503-Q858 PolarHBondContact O-NE2 2.79Å; R854-Q858 PolarHBondContact O-N 3.02Å; K855-Q858 PolarHBondContact O-N 2.89Å; L856-Q858 VanDerWaalsContact C-N 3.29Å; L856-Q858 PolarHBondContact O-N 3.41Å; Q858-M860 VanDerWaalsContact C-N 3.32Å; Q858-M860 PolarHBondContact O-N 2.95Å; Q858-T861 WeakPolarHBondContact O-CA 3.43Å; Q858-T861 WeakPolarHBondContact O-CB 3.34Å; Q858-T861 PolarHBondContact O-N 2.89Å; Q858-T861 VanDerWaalsContact O-N 3.1Å; Q858-D862 PolarHBondContact NE2-OD1 3.33Å; Q858-D862 PolarHBondContact O-N 3.06Å
859M93.7Very high91Very high35 Ų3527 Ų2717%0.17212%0.122CC..Hα-helixtrans-66.7-32.8179.1-66.6170.2177.900112.8K855 L856 D862 L863 P957 I960 E961K855-M859 PolarHBondContact O-N 3.44Å; L856-M859 PolarHBondContact O-N 3.43Å; L856-M859 VanDerWaalsContact O-N 3.1Å; M859-D862 PolarHBondContact O-N 3.24Å; M859-L863 PolarHBondContact O-N 3.24Å; M859-P957 HydrophobicContact CE-CB 3.93Å; M859-P957 WeakPolarHBondContact CE-O 3.37Å; M859-P957 VanDerWaalsContact SD-CA 3.55Å; M859-P957 HydrophobicContact SD-CB 3.7Å; M859-I960 HydrophobicContact CB-CD1 4.45Å; M859-I960 HydrophobicContact CG-CG2 4.45Å; M859-I960 HydrophobicContact SD-CB 3.85Å; M859-I960 HydrophobicContact SD-CD1 3.94Å; M859-I960 HydrophobicContact SD-CG2 3.88Å; M859-E961 HydrophobicContact CE-CB 4.08Å
860M96.5Very high91.1Very high1 Ų127.2 Ų27.21%0.00512%0.122CC..Hα-helixtrans-63.9-45.3169.2-68164.973.700110.6I660 L664 M837 Y840 V841 Y844 L856 Q858 D862 L863 M864I660-M860 HydrophobicContact CG2-CE 3.8Å; L664-M860 HydrophobicContact CD1-CB 4.14Å; L664-M860 HydrophobicContact CD1-CE 4.28Å; L664-M860 HydrophobicContact CD2-CE 4.17Å; L664-M860 HydrophobicContact CD2-SD 4.3Å; M837-M860 HydrophobicContact CE-CB 4.19Å; M837-M860 WeakPolarHBondContact CE-O 3.26Å; M837-M860 HydrophobicContact SD-CB 4.02Å; M837-M860 HydrophobicContact SD-CE 3.85Å; M837-M860 HydrophobicContact SD-CG 4.03Å; Y840-M860 HydrophobicContact CD2-CG 4.3Å; Y840-M860 HydrophobicContact CG-CG 4.49Å; V841-M860 HydrophobicContact CB-CE 4.28Å; V841-M860 HydrophobicContact CG2-CE 3.5Å; V841-M860 VanDerWaalsContact CG2-CE 3.5Å; Y844-M860 HydrophobicContact CD2-SD 4.01Å; Y844-M860 HydrophobicContact CG-SD 4.24Å; L856-M860 HydrophobicContact CD1-CG 4.49Å; L856-M860 HydrophobicContact CG-CG 4.32Å; L856-M860 HydrophobicContact CG-SD 3.92Å; L856-M860 VanDerWaalsContact O-CG 3.26Å; L856-M860 WeakPolarHBondContact O-CG 3.38Å; L856-M860 PolarHBondContact O-N 3.18Å; Q858-M860 VanDerWaalsContact C-N 3.32Å; Q858-M860 PolarHBondContact O-N 2.95Å; M860-D862 VanDerWaalsContact C-N 3.34Å; M860-D862 PolarHBondContact O-N 3.13Å; M860-L863 PolarHBondContact O-N 3.01Å; M860-L863 VanDerWaalsContact O-N 3.16Å; M860-M864 HydrophobicContact CB-CE 4.25Å; M860-M864 WeakPolarHBondContact O-CG 3.33Å; M860-M864 PolarHBondContact O-N 3.23Å
861T94.7Very high91.2Very high4 Ų426.4 Ų26.43%0.02512%0.12CC..Hα-helixtrans-58.6-46175-52.60000110.9P504 A857 Q858 L863 M864 Y865P504-T861 HydrophobicContact CB-CG2 4.33Å; A857-T861 PolarHBondContact O-N 3.45Å; A857-T861 PolarHBondContact O-OG1 3.4Å; Q858-T861 WeakPolarHBondContact O-CA 3.43Å; Q858-T861 WeakPolarHBondContact O-CB 3.34Å; Q858-T861 PolarHBondContact O-N 2.89Å; Q858-T861 VanDerWaalsContact O-N 3.1Å; T861-L863 VanDerWaalsContact C-N 3.29Å; T861-L863 PolarHBondContact O-N 2.89Å; T861-M864 PolarHBondContact O-N 3.21Å; T861-Y865 HydrophobicContact CG2-CD2 4.07Å; T861-Y865 HydrophobicContact CG2-CE2 4.13Å; T861-Y865 WeakPolarHBondContact O-CD2 3.17Å; T861-Y865 PolarHBondContact O-N 3.17Å
862D93.7Very high91.2Very high39 Ų3926.6 Ų26.621%0.20912%0.121CC..Hα-helixtrans-59.2-39.2176.7-61.7-15.6000111.7P504 K505 Q858 M859 M860 K866P504-D862 WeakPolarHBondContact CA-OD1 3.08Å; K505-D862 PolarHBondContact N-OD1 3.29Å; Q858-D862 PolarHBondContact NE2-OD1 3.33Å; Q858-D862 PolarHBondContact O-N 3.06Å; M859-D862 PolarHBondContact O-N 3.24Å; M860-D862 VanDerWaalsContact C-N 3.34Å; M860-D862 PolarHBondContact O-N 3.13Å; D862-K866 PolarHBondContact O-N 3.05Å; D862-K866 VanDerWaalsContact O-N 3.15Å
863L95.6Very high90.9Very high14 Ų1432.1 Ų32.17%0.07315%0.15CC..Hα-helixtrans-68.4-43.4175.1179.259.7000112.7K833 L836 M837 Y840 M859 M860 T861 Y865 K866 L888K833-L863 HydrophobicContact CB-CD1 4.42Å; K833-L863 WeakPolarHBondContact CE-O 3.32Å; K833-L863 HydrophobicContact CG-CD1 4.13Å; L836-L863 HydrophobicContact CB-CD2 4.1Å; L836-L863 HydrophobicContact CD2-CD1 4.14Å; L836-L863 HydrophobicContact CD2-CD2 3.87Å; L836-L863 HydrophobicContact CG-CD2 3.81Å; M837-L863 HydrophobicContact CB-CD2 4.34Å; M837-L863 HydrophobicContact CE-CB 4.14Å; M837-L863 HydrophobicContact CE-CD2 3.98Å; M837-L863 HydrophobicContact CE-CG 4.1Å; Y840-L863 HydrophobicContact CD2-CD2 3.86Å; Y840-L863 HydrophobicContact CE2-CD2 3.77Å; M859-L863 PolarHBondContact O-N 3.24Å; M860-L863 PolarHBondContact O-N 3.01Å; M860-L863 VanDerWaalsContact O-N 3.16Å; T861-L863 VanDerWaalsContact C-N 3.29Å; T861-L863 PolarHBondContact O-N 2.89Å; L863-Y865 VanDerWaalsContact C-N 3.32Å; L863-Y865 PolarHBondContact O-N 3.37Å; L863-K866 WeakPolarHBondContact O-CB 3.33Å; L863-K866 PolarHBondContact O-N 2.95Å; L863-L888 HydrophobicContact CD1-CD2 4.21Å
864M94.6Very high90.5Very high13 Ų1333.6 Ų33.66%0.06416%0.157CC..Hα-helixtrans-55.8-47.3179.2-69173.6-158.100111.5F657 I660 E661 L664 K833 M837 M860 T861F657-M864 HydrophobicContact CB-CB 4.39Å; F657-M864 HydrophobicContact CB-CG 3.99Å; F657-M864 HydrophobicContact CB-SD 4.3Å; F657-M864 HydrophobicContact CD1-CG 4.13Å; F657-M864 HydrophobicContact CG-CB 4.43Å; F657-M864 HydrophobicContact CG-CG 4.06Å; I660-M864 HydrophobicContact CB-CE 3.81Å; I660-M864 HydrophobicContact CG2-CE 3.45Å; I660-M864 VanDerWaalsContact CG2-CE 3.45Å; E661-M864 HydrophobicContact CB-SD 4.25Å; L664-M864 HydrophobicContact CD1-CE 3.8Å; K833-M864 WeakPolarHBondContact CE-O 3.35Å; K833-M864 PolarHBondContact NZ-O 2.88Å; M837-M864 HydrophobicContact CE-CE 3.88Å; M837-M864 HydrophobicContact CE-CG 3.49Å; M837-M864 VanDerWaalsContact CE-CG 3.49Å; M837-M864 HydrophobicContact SD-CE 4.24Å; M860-M864 HydrophobicContact CB-CE 4.25Å; M860-M864 WeakPolarHBondContact O-CG 3.33Å; M860-M864 PolarHBondContact O-N 3.23Å; T861-M864 PolarHBondContact O-N 3.21Å
865Y92.7Very high90Very high93 Ų9337 Ų3737%0.36518%0.177SC..Hα-helixtrans-87.1-1-177.1-69.4-92.3000113.7P504 R658 E661 T861 L863 R867P504-Y865 HydrophobicContact CB-CD2 4Å; P504-Y865 HydrophobicContact CB-CG 3.98Å; P504-Y865 HydrophobicContact CG-CD1 4.23Å; P504-Y865 HydrophobicContact CG-CD2 3.9Å; P504-Y865 HydrophobicContact CG-CG 3.72Å; R658-Y865 PolarHBondContact NH1-OH 3.43Å; E661-Y865 PolarHBondContact OE1-OH 2.89Å; T861-Y865 HydrophobicContact CG2-CD2 4.07Å; T861-Y865 HydrophobicContact CG2-CE2 4.13Å; T861-Y865 WeakPolarHBondContact O-CD2 3.17Å; T861-Y865 PolarHBondContact O-N 3.17Å; L863-Y865 VanDerWaalsContact C-N 3.32Å; L863-Y865 PolarHBondContact O-N 3.37Å; Y865-R867 PolarHBondContact O-N 3.15Å
866K92.9Very high89.9Confident50 Ų5034.3 Ų34.322%0.21717%0.165CC..  trans-60.2127.4174.1-169.9-178.3174.9-171.10110.3F829 K833 D862 L863 E884F829-K866 WeakPolarHBondContact CE1-O 3.41Å; F829-K866 HydrophobicContact CZ-CG 4.35Å; K833-K866 PolarHBondContact NZ-O 3.12Å; D862-K866 PolarHBondContact O-N 3.05Å; D862-K866 VanDerWaalsContact O-N 3.15Å; L863-K866 WeakPolarHBondContact O-CB 3.33Å; L863-K866 PolarHBondContact O-N 2.95Å; K866-E884 IonicContact NZ-OE2 3.3Å; K866-E884 PolarHBondContact NZ-OE2 3.46Å
867R91.6Very high89.7Confident52 Ų5234.4 Ų34.420%0.19617%0.166CC..  trans-110157.1168.4-67-64.4-67.8-74.92.2109.5V510 L765 D768 Y865V510-R867 HydrophobicContact CG1-CB 4.28Å; L765-R867 VanDerWaalsContact CD1-NH2 3.35Å; D768-R867 IonicContact OD2-CZ 2.98Å; D768-R867 IonicContact OD2-NH1 3.81Å; D768-R867 PolarHBondContact OD2-NH1 3.27Å; D768-R867 IonicContact OD2-NH2 3.86Å; Y865-R867 PolarHBondContact O-N 3.15Å
868P91.8Very high89.4Confident9 Ų935.3 Ų35.36%0.05817%0.171CC..  trans-70.2142.2179.929.8-34.8000111.1F829 L870 Y881 E884F829-P868 HydrophobicContact CE1-CG 4.49Å; F829-P868 HydrophobicContact CE2-CB 4.27Å; F829-P868 HydrophobicContact CZ-CB 4.32Å; P868-L870 HydrophobicContact CB-CD2 4.46Å; P868-Y881 HydrophobicContact CB-CD1 4.41Å; P868-Y881 HydrophobicContact CB-CE1 4.24Å; P868-Y881 HydrophobicContact CG-CD1 4.31Å; P868-Y881 HydrophobicContact CG-CE1 3.66Å; P868-Y881 HydrophobicContact CG-CE2 4.19Å; P868-E884 HydrophobicContact CB-CG 4.25Å
869R91.4Very high89.1Confident24 Ų2436.6 Ų36.69%0.09118%0.181CC..  trans-77.5123.2170.1-68.2162.2-66.2178.41.6108.7V510 E884 Q979 I983 E986V510-R869 HydrophobicContact CG2-CB 4.46Å; V510-R869 HydrophobicContact CG2-CG 3.68Å; R869-E884 WeakPolarHBondContact CB-OE1 3.49Å; R869-E884 IonicContact CZ-OE1 3.66Å; R869-E884 IonicContact CZ-OE2 2.68Å; R869-E884 PolarHBondContact N-OE1 3Å; R869-E884 IonicContact NE-OE1 2.97Å; R869-E884 PolarHBondContact NE-OE1 3.02Å; R869-E884 IonicContact NE-OE2 2.63Å; R869-E884 VanDerWaalsContact NH2-CD 3.32Å; R869-E884 IonicContact NH2-OE1 3.41Å; R869-E884 PolarHBondContact NH2-OE1 2.85Å; R869-E884 IonicContact NH2-OE2 3.94Å; R869-E884 PolarHBondContact NH2-OE2 3.04Å; R869-Q979 HydrophobicContact CB-CG 4.38Å; R869-I983 HydrophobicContact CB-CD1 3.81Å; R869-I983 HydrophobicContact CB-CG1 4.17Å; R869-I983 WeakPolarHBondContact O-CD1 3.38Å; R869-E986 IonicContact CZ-OE2 3.95Å; R869-E986 IonicContact NH1-OE2 3.81Å; R869-E986 PolarHBondContact NH1-OE2 3.28Å; R869-E986 IonicContact NH2-OE1 3.03Å; R869-E986 IonicContact NH2-OE2 2.84Å; R869-E986 PolarHBondContact NH2-OE2 3.24Å
870L88.2Confident88.9Confident20 Ų2035.2 Ų35.211%0.10518%0.175CC..  trans-115.1146.3177.8-57.4-179.7000110I772 P868 F877 A880 Y881I772-L870 HydrophobicContact CD1-CD1 3.91Å; I772-L870 HydrophobicContact CG1-CD1 4.21Å; I772-L870 HydrophobicContact CG2-CD1 3.69Å; P868-L870 HydrophobicContact CB-CD2 4.46Å; L870-F877 HydrophobicContact CD2-CB 4.35Å; L870-A880 HydrophobicContact CD2-CB 3.83Å; L870-Y881 HydrophobicContact CD1-CE2 4.41Å; L870-Y881 HydrophobicContact CD2-CD2 3.92Å; L870-Y881 HydrophobicContact CD2-CE2 3.85Å
871D84Confident88.7Confident14 Ų1435.2 Ų35.28%0.07518%0.175CC..  trans-109.2106.1171.3-161-36.5000108.2N873 E874 Q979 I980D871-N873 PolarHBondContact O-N 2.65Å; D871-N873 PolarHBondContact OD1-N 3.37Å; D871-N873 PolarHBondContact OD1-ND2 2.67Å; D871-E874 HydrophobicContact CB-CG 3.99Å; D871-E874 PolarHBondContact O-N 2.69Å; D871-Q979 HydrophobicContact CB-CB 4.12Å; D871-Q979 WeakPolarHBondContact OD2-CA 3.42Å; D871-Q979 WeakPolarHBondContact OD2-CB 3.33Å; D871-Q979 PolarHBondContact OD2-N 3.32Å; D871-I980 HydrophobicContact CB-CB 4.25Å; D871-I980 PolarHBondContact OD2-N 3.27Å
872L81.5Confident88.5Confident34 Ų3438.3 Ų38.318%0.17819%0.188CC..THydrogen-bonded Turntrans-71.14.6-175.5-62.7-177.3000113.7T513 L517 K775 F776 N779T513-L872 HydrophobicContact CG2-CD1 3.47Å; T513-L872 VanDerWaalsContact CG2-CD1 3.47Å; T513-L872 HydrophobicContact CG2-CG 3.88Å; L517-L872 HydrophobicContact CD2-CD1 4.27Å; L517-L872 HydrophobicContact CG-CD1 4.45Å; K775-L872 HydrophobicContact CG-CD1 4.18Å; K775-L872 HydrophobicContact CG-CD2 4.22Å; F776-L872 HydrophobicContact CD2-CD2 4.49Å; F776-L872 HydrophobicContact CE2-CD2 3.71Å; F776-L872 HydrophobicContact CZ-CD2 3.97Å; N779-L872 PolarHBondContact ND2-O 3.11Å
873N80.7Confident88.5Confident129 Ų12939 Ų3969%0.6919%0.188SC*.THydrogen-bonded Turntrans-100.4-8.1176.4-50.8-80.1000112.9D871D871-N873 PolarHBondContact O-N 2.65Å; D871-N873 PolarHBondContact OD1-N 3.37Å; D871-N873 PolarHBondContact OD1-ND2 2.67Å
874E81.1Confident88.4Confident53 Ų5338.3 Ų38.325%0.24819%0.185CC..SBendtrans-82.8159.9174.8-59.5-60.6148.500111F776 D871 Y876 R978 I980F776-E874 VanDerWaalsContact CE1-O 3.32Å; F776-E874 WeakPolarHBondContact CE1-O 3.48Å; D871-E874 HydrophobicContact CB-CG 3.99Å; D871-E874 PolarHBondContact O-N 2.69Å; E874-Y876 VanDerWaalsContact C-N 3.33Å; E874-Y876 PolarHBondContact O-N 2.9Å; E874-R978 WeakPolarHBondContact OE1-CD 3.18Å; E874-R978 IonicContact OE1-CZ 2.82Å; E874-R978 IonicContact OE1-NE 3.49Å; E874-R978 IonicContact OE1-NH1 2.66Å; E874-R978 PolarHBondContact OE1-NH1 2.65Å; E874-R978 IonicContact OE2-NH1 3.39Å; E874-I980 HydrophobicContact CG-CB 4.4Å; E874-I980 HydrophobicContact CG-CG2 4.24Å; E874-I980 WeakPolarHBondContact OE1-CG2 3.45Å
875N76.9Confident88.5Confident94 Ų9437.8 Ų37.850%0.50318%0.182SC..SBendtrans-66.8-30.9-173.8-65.7-24.7000113.7N780N780-N875 PolarHBondContact ND2-O 2.91Å
876Y85.6Confident88.5Confident11 Ų1134.2 Ų34.24%0.04317%0.172CC..  trans-158.8154.5-178.1-159.2-141.1000112.3L408 P409 D821 E874 V878L408-Y876 HydrophobicContact CD2-CD2 3.97Å; L408-Y876 HydrophobicContact CD2-CE2 3.68Å; P409-Y876 WeakPolarHBondContact CD-OH 3.33Å; D821-Y876 HydrophobicContact CB-CE1 4.44Å; D821-Y876 WeakPolarHBondContact CB-OH 3.44Å; D821-Y876 VanDerWaalsContact OD2-CE1 3.3Å; D821-Y876 WeakPolarHBondContact OD2-CE1 3.25Å; D821-Y876 PolarHBondContact OD2-OH 3.31Å; E874-Y876 VanDerWaalsContact C-N 3.33Å; E874-Y876 PolarHBondContact O-N 2.9Å; Y876-V878 HydrophobicContact CD1-CB 4.21Å; Y876-V878 HydrophobicContact CD1-CG2 3.66Å; Y876-V878 HydrophobicContact CE1-CB 4.48Å; Y876-V878 HydrophobicContact CE1-CG2 3.47Å; Y876-V878 VanDerWaalsContact CE1-CG2 3.47Å
877F89.1Confident88.7Confident2 Ų231.8 Ų31.81%0.00916%0.162CC..SBendtrans-78.7-22.2-170.454.4-99.7000115.3F776 I818 D821 I822 L870 T879 A880 Y881F776-F877 HydrophobicContact CD2-CB 4.17Å; F776-F877 AromaticContact CD2-CD1 3.85Å; F776-F877 HydrophobicContact CD2-CD1 3.85Å; F776-F877 HydrophobicContact CE2-CB 3.76Å; F776-F877 HydrophobicContact CE2-CD1 4.31Å; F776-F877 HydrophobicContact CG-CD1 4.19Å; F776-F877 HydrophobicContact CZ-CB 3.99Å; I818-F877 HydrophobicContact CG2-CE1 4.31Å; D821-F877 HydrophobicContact CB-CE2 4.17Å; D821-F877 HydrophobicContact CB-CZ 4.02Å; I822-F877 HydrophobicContact CB-CE1 4.35Å; I822-F877 HydrophobicContact CB-CE2 3.84Å; I822-F877 HydrophobicContact CB-CZ 3.58Å; I822-F877 HydrophobicContact CD1-CE1 4.25Å; I822-F877 HydrophobicContact CD1-CZ 4.26Å; I822-F877 HydrophobicContact CG1-CD2 4.43Å; I822-F877 HydrophobicContact CG1-CE1 4.38Å; I822-F877 HydrophobicContact CG1-CE2 3.91Å; I822-F877 HydrophobicContact CG1-CZ 3.89Å; L870-F877 HydrophobicContact CD2-CB 4.35Å; F877-T879 VanDerWaalsContact C-N 3.28Å; F877-T879 PolarHBondContact O-N 2.9Å; F877-A880 PolarHBondContact O-N 3.19Å; F877-Y881 HydrophobicContact CB-CD2 4.36Å; F877-Y881 HydrophobicContact CB-CE2 4.46Å; F877-Y881 AromaticContact CD2-CD2 3.9Å; F877-Y881 HydrophobicContact CD2-CD2 3.9Å; F877-Y881 HydrophobicContact CD2-CE2 4.03Å; F877-Y881 PolarHBondContact O-N 3.21Å
878V89Confident88.9Confident21 Ų2129.5 Ų29.513%0.12715%0.153CC..Hα-helixtrans-56.4-38.6-168.7173.60000112.8D821 Y876 A880 Y881 K882D821-V878 HydrophobicContact CB-CG2 4.32Å; Y876-V878 HydrophobicContact CD1-CB 4.21Å; Y876-V878 HydrophobicContact CD1-CG2 3.66Å; Y876-V878 HydrophobicContact CE1-CB 4.48Å; Y876-V878 HydrophobicContact CE1-CG2 3.47Å; Y876-V878 VanDerWaalsContact CE1-CG2 3.47Å; V878-A880 VanDerWaalsContact C-N 3.34Å; V878-A880 PolarHBondContact O-N 3.46Å; V878-Y881 PolarHBondContact O-N 2.95Å; V878-K882 HydrophobicContact CG1-CD 4.2Å; V878-K882 HydrophobicContact CG1-CG 4.23Å; V878-K882 WeakPolarHBondContact O-CG 3.25Å; V878-K882 PolarHBondContact O-N 3.42Å
879T85.8Confident89.1Confident56 Ų5633.6 Ų33.634%0.34417%0.167SC..Hα-helixtrans-59.8-41.6178.7-53.80000112.5F877 K882 Y883F877-T879 VanDerWaalsContact C-N 3.28Å; F877-T879 PolarHBondContact O-N 2.9Å; T879-K882 PolarHBondContact O-N 3.11Å; T879-Y883 HydrophobicContact CG2-CD2 3.97Å; T879-Y883 HydrophobicContact CG2-CE2 3.52Å; T879-Y883 WeakPolarHBondContact O-CD2 3.41Å; T879-Y883 PolarHBondContact O-N 3.29Å
880A89.4Confident89.2Confident7 Ų733.3 Ų33.36%0.05817%0.167CC..Hα-helixtrans-67.7-43.217900000111.6L870 F877 V878 Y883 E884 I980 I983L870-A880 HydrophobicContact CD2-CB 3.83Å; F877-A880 PolarHBondContact O-N 3.19Å; V878-A880 VanDerWaalsContact C-N 3.34Å; V878-A880 PolarHBondContact O-N 3.46Å; A880-Y883 PolarHBondContact O-N 2.74Å; A880-E884 PolarHBondContact O-N 2.89Å; A880-I980 HydrophobicContact CB-CD1 4.04Å; A880-I983 HydrophobicContact CB-CD1 4.28Å
881Y93.1Very high89.6Confident0 Ų033.4 Ų33.40%017%0.166CC..Hα-helixtrans-59.9-47.3173.3-88.3-89.5000112.2N825 E826 F829 P868 L870 F877 V878 Y883 E884 C885N825-Y881 HydrophobicContact CB-CD1 3.72Å; N825-Y881 HydrophobicContact CB-CD2 4.27Å; N825-Y881 HydrophobicContact CB-CE1 4.3Å; N825-Y881 HydrophobicContact CB-CG 3.69Å; N825-Y881 WeakPolarHBondContact O-CD1 3.33Å; E826-Y881 HydrophobicContact CB-CE1 4.27Å; E826-Y881 VanDerWaalsContact OE2-CE1 3.29Å; E826-Y881 WeakPolarHBondContact OE2-CE1 3.28Å; E826-Y881 PolarHBondContact OE2-OH 3.36Å; F829-Y881 HydrophobicContact CB-CD1 4.19Å; F829-Y881 HydrophobicContact CB-CE1 4.28Å; P868-Y881 HydrophobicContact CB-CD1 4.41Å; P868-Y881 HydrophobicContact CB-CE1 4.24Å; P868-Y881 HydrophobicContact CG-CD1 4.31Å; P868-Y881 HydrophobicContact CG-CE1 3.66Å; P868-Y881 HydrophobicContact CG-CE2 4.19Å; L870-Y881 HydrophobicContact CD1-CE2 4.41Å; L870-Y881 HydrophobicContact CD2-CD2 3.92Å; L870-Y881 HydrophobicContact CD2-CE2 3.85Å; F877-Y881 HydrophobicContact CB-CD2 4.36Å; F877-Y881 HydrophobicContact CB-CE2 4.46Å; F877-Y881 AromaticContact CD2-CD2 3.9Å; F877-Y881 HydrophobicContact CD2-CD2 3.9Å; F877-Y881 HydrophobicContact CD2-CE2 4.03Å; F877-Y881 PolarHBondContact O-N 3.21Å; V878-Y881 PolarHBondContact O-N 2.95Å; Y881-Y883 VanDerWaalsContact C-N 3.28Å; Y881-Y883 PolarHBondContact O-N 3.43Å; Y881-E884 PolarHBondContact O-N 3.42Å; Y881-C885 WeakPolarHBondContact O-CB 3.41Å; Y881-C885 PolarHBondContact O-N 2.82Å; Y881-C885 PolarHBondContact O-SG 3.01Å
882K89.8Confident90.1Very high69 Ų6935 Ų3530%0.317%0.172SC..Hα-helixtrans-56.3-41.1178.3-77.7-169.7171.8-164.70112S398 V878 T879 A886S398-K882 WeakPolarHBondContact O-CE 3.44Å; S398-K882 PolarHBondContact O-NZ 2.84Å; V878-K882 HydrophobicContact CG1-CD 4.2Å; V878-K882 HydrophobicContact CG1-CG 4.23Å; V878-K882 WeakPolarHBondContact O-CG 3.25Å; V878-K882 PolarHBondContact O-N 3.42Å; T879-K882 PolarHBondContact O-N 3.11Å; K882-A886 WeakPolarHBondContact O-CB 3.24Å; K882-A886 PolarHBondContact O-N 3.22Å; K882-A886 VanDerWaalsContact O-N 3.1Å
883Y93.3Very high90.7Very high53 Ų5336.8 Ų36.821%0.20818%0.18CC..Hα-helixtrans-73.8-41.1176.4-67.2-54.5000114T879 A880 Y881 C885 A886 I887 I980 I984 K987T879-Y883 HydrophobicContact CG2-CD2 3.97Å; T879-Y883 HydrophobicContact CG2-CE2 3.52Å; T879-Y883 WeakPolarHBondContact O-CD2 3.41Å; T879-Y883 PolarHBondContact O-N 3.29Å; A880-Y883 PolarHBondContact O-N 2.74Å; Y881-Y883 VanDerWaalsContact C-N 3.28Å; Y881-Y883 PolarHBondContact O-N 3.43Å; Y883-C885 VanDerWaalsContact C-N 3.34Å; Y883-C885 PolarHBondContact O-N 3.26Å; Y883-A886 WeakPolarHBondContact O-CB 3.35Å; Y883-A886 PolarHBondContact O-N 2.88Å; Y883-A886 VanDerWaalsContact O-N 3.11Å; Y883-I887 WeakPolarHBondContact O-CG1 3.44Å; Y883-I887 PolarHBondContact O-N 2.98Å; Y883-I980 HydrophobicContact CD2-CD1 4.16Å; Y883-I984 HydrophobicContact CD2-CG1 3.88Å; Y883-I984 HydrophobicContact CE2-CD1 3.97Å; Y883-I984 HydrophobicContact CE2-CG1 3.54Å; Y883-I984 HydrophobicContact CG-CG1 4.5Å; Y883-K987 HydrophobicContact CD1-CD 4.36Å; Y883-K987 HydrophobicContact CD1-CG 4.13Å
884E94.3Very high91.4Very high0 Ų030.8 Ų30.80%015%0.148CC..Hα-helixtrans-61.9-40.8175.2-75.1-86.1-143.600111.9F829 K866 P868 R869 A880 Y881 A886 I887 L888 I983F829-E884 HydrophobicContact CD2-CB 4.29Å; F829-E884 HydrophobicContact CE2-CB 4.15Å; K866-E884 IonicContact NZ-OE2 3.3Å; K866-E884 PolarHBondContact NZ-OE2 3.46Å; P868-E884 HydrophobicContact CB-CG 4.25Å; R869-E884 WeakPolarHBondContact CB-OE1 3.49Å; R869-E884 IonicContact CZ-OE1 3.66Å; R869-E884 IonicContact CZ-OE2 2.68Å; R869-E884 PolarHBondContact N-OE1 3Å; R869-E884 IonicContact NE-OE1 2.97Å; R869-E884 PolarHBondContact NE-OE1 3.02Å; R869-E884 IonicContact NE-OE2 2.63Å; R869-E884 VanDerWaalsContact NH2-CD 3.32Å; R869-E884 IonicContact NH2-OE1 3.41Å; R869-E884 PolarHBondContact NH2-OE1 2.85Å; R869-E884 IonicContact NH2-OE2 3.94Å; R869-E884 PolarHBondContact NH2-OE2 3.04Å; A880-E884 PolarHBondContact O-N 2.89Å; Y881-E884 PolarHBondContact O-N 3.42Å; E884-A886 VanDerWaalsContact C-N 3.34Å; E884-A886 PolarHBondContact O-N 3.4Å; E884-I887 PolarHBondContact O-N 3.3Å; E884-L888 WeakPolarHBondContact O-CG 3.19Å; E884-L888 PolarHBondContact O-N 3.19Å; E884-L888 VanDerWaalsContact O-N 3.09Å; E884-I983 HydrophobicContact CG-CG2 4Å
885C95.4Very high92.1Very high2 Ų228.3 Ų28.31%0.01414%0.136CC..Hα-helixtrans-63.9-37.1172.3-680000112F829 Y881 Y883 L888 R889F829-C885 VanDerWaalsContact CA-SG 3.54Å; Y881-C885 WeakPolarHBondContact O-CB 3.41Å; Y881-C885 PolarHBondContact O-N 2.82Å; Y881-C885 PolarHBondContact O-SG 3.01Å; Y883-C885 VanDerWaalsContact C-N 3.34Å; Y883-C885 PolarHBondContact O-N 3.26Å; C885-L888 PolarHBondContact O-N 3.43Å; C885-R889 VanDerWaalsContact O-CG 3.25Å; C885-R889 WeakPolarHBondContact O-CG 3.24Å; C885-R889 PolarHBondContact O-N 3.02Å
886A94.3Very high93Very high18 Ų1826.8 Ų26.815%0.14913%0.125CC..Hα-helixtrans-63.2-46174.900000111.9K882 Y883 E884 L888 R889 Q890 K987K882-A886 WeakPolarHBondContact O-CB 3.24Å; K882-A886 PolarHBondContact O-N 3.22Å; K882-A886 VanDerWaalsContact O-N 3.1Å; Y883-A886 WeakPolarHBondContact O-CB 3.35Å; Y883-A886 PolarHBondContact O-N 2.88Å; Y883-A886 VanDerWaalsContact O-N 3.11Å; E884-A886 VanDerWaalsContact C-N 3.34Å; E884-A886 PolarHBondContact O-N 3.4Å; A886-L888 PolarHBondContact O-N 2.97Å; A886-R889 PolarHBondContact O-N 3.21Å; A886-Q890 VanDerWaalsContact O-CG 3.25Å; A886-Q890 WeakPolarHBondContact O-CG 3.36Å; A886-Q890 PolarHBondContact O-N 3.33Å; A886-Q890 PolarHBondContact O-OE1 3.31Å; A886-K987 HydrophobicContact CB-CG 4.05Å
887I96Very high93.3Very high0 Ų027.6 Ų27.60%013%0.132CC..Hα-helixtrans-55.4-49.2175.2-69.6161.5000111.2Y883 E884 R889 Q890 R891 I983 E986 K987 F990Y883-I887 WeakPolarHBondContact O-CG1 3.44Å; Y883-I887 PolarHBondContact O-N 2.98Å; E884-I887 PolarHBondContact O-N 3.3Å; I887-R889 PolarHBondContact O-N 3.19Å; I887-Q890 PolarHBondContact O-N 3.2Å; I887-R891 HydrophobicContact CG2-CG 4.5Å; I887-R891 WeakPolarHBondContact O-CB 3.28Å; I887-R891 WeakPolarHBondContact O-CG 3.48Å; I887-R891 PolarHBondContact O-N 3.44Å; I887-I983 HydrophobicContact CD1-CG2 3.78Å; I887-E986 HydrophobicContact CD1-CB 3.9Å; I887-E986 HydrophobicContact CD1-CG 3.84Å; I887-E986 HydrophobicContact CG1-CB 4.49Å; I887-E986 HydrophobicContact CG1-CG 4.15Å; I887-E986 HydrophobicContact CG2-CG 4.17Å; I887-E986 WeakPolarHBondContact CG2-OE1 3.37Å; I887-K987 HydrophobicContact CD1-CB 4.27Å; I887-K987 HydrophobicContact CG1-CB 3.85Å; I887-F990 HydrophobicContact CG2-CD2 3.96Å; I887-F990 HydrophobicContact CG2-CE2 4.03Å
888L96Very high93.5Very high3 Ų327.5 Ų27.52%0.01613%0.132CC..Hα-helixtrans-64.4-40.9-180-69.1176.4000112.3F829 K833 L836 L863 E884 C885 A886 K892F829-L888 HydrophobicContact CD2-CD1 3.89Å; F829-L888 HydrophobicContact CE2-CD1 3.67Å; F829-L888 HydrophobicContact CZ-CD1 4.47Å; K833-L888 HydrophobicContact CG-CD1 3.65Å; L836-L888 HydrophobicContact CD2-CD2 4.05Å; L863-L888 HydrophobicContact CD1-CD2 4.21Å; E884-L888 WeakPolarHBondContact O-CG 3.19Å; E884-L888 PolarHBondContact O-N 3.19Å; E884-L888 VanDerWaalsContact O-N 3.09Å; C885-L888 PolarHBondContact O-N 3.43Å; A886-L888 PolarHBondContact O-N 2.97Å; L888-K892 WeakPolarHBondContact O-CB 3.43Å; L888-K892 PolarHBondContact O-N 3.12Å
889R95.5Very high93.8Very high95 Ų9526.5 Ų26.536%0.35813%0.126SC..Hα-helixtrans-62.2-45.2173.7-69176.5-153.8120.7-13111.8T832 C885 A886 I887 K892 E893T832-R889 HydrophobicContact CG2-CG 3.66Å; C885-R889 VanDerWaalsContact O-CG 3.25Å; C885-R889 WeakPolarHBondContact O-CG 3.24Å; C885-R889 PolarHBondContact O-N 3.02Å; A886-R889 PolarHBondContact O-N 3.21Å; I887-R889 PolarHBondContact O-N 3.19Å; R889-K892 WeakPolarHBondContact O-CB 3.34Å; R889-K892 PolarHBondContact O-N 3.33Å; R889-E893 WeakPolarHBondContact O-CG 3.46Å; R889-E893 PolarHBondContact O-N 2.68Å
890Q94.7Very high94.2Very high18 Ų1825.5 Ų25.58%0.08412%0.118CC..Hα-helixtrans-62.5-47.6178.4-66.5155.3-2700111A886 I887 K892 E893 I894 K987 F990 D991A886-Q890 VanDerWaalsContact O-CG 3.25Å; A886-Q890 WeakPolarHBondContact O-CG 3.36Å; A886-Q890 PolarHBondContact O-N 3.33Å; A886-Q890 PolarHBondContact O-OE1 3.31Å; I887-Q890 PolarHBondContact O-N 3.2Å; Q890-K892 VanDerWaalsContact C-N 3.31Å; Q890-K892 PolarHBondContact O-N 2.89Å; Q890-E893 PolarHBondContact O-N 3.12Å; Q890-I894 WeakPolarHBondContact O-CB 3.4Å; Q890-I894 VanDerWaalsContact O-CG1 3.28Å; Q890-I894 WeakPolarHBondContact O-CG1 3.49Å; Q890-I894 PolarHBondContact O-N 3Å; Q890-K987 PolarHBondContact NE2-O 2.87Å; Q890-K987 VanDerWaalsContact NE2-O 3.15Å; Q890-K987 PolarHBondContact OE1-O 2.93Å; Q890-F990 HydrophobicContact CB-CB 3.76Å; Q890-F990 HydrophobicContact CG-CB 4.33Å; Q890-F990 VanDerWaalsContact OE1-CB 3.32Å; Q890-D991 PolarHBondContact NE2-OD1 2.84Å; Q890-D991 PolarHBondContact NE2-OD2 2.91Å
891R95.2Very high94.3Very high23 Ų2328.6 Ų28.69%0.08713%0.134CC..Hα-helixtrans-57.6-41.5175.8-72.6174.879.41253112.3L836 I887 M895 D964 E986 F990L836-R891 HydrophobicContact CD2-CB 4.35Å; I887-R891 HydrophobicContact CG2-CG 4.5Å; I887-R891 WeakPolarHBondContact O-CB 3.28Å; I887-R891 WeakPolarHBondContact O-CG 3.48Å; I887-R891 PolarHBondContact O-N 3.44Å; R891-M895 WeakPolarHBondContact O-CB 3.29Å; R891-M895 WeakPolarHBondContact O-CG 3.31Å; R891-M895 PolarHBondContact O-N 2.96Å; R891-D964 IonicContact CZ-OD1 2.72Å; R891-D964 VanDerWaalsContact CZ-OD1 3.24Å; R891-D964 IonicContact NH1-OD1 3.45Å; R891-D964 PolarHBondContact NH1-OD1 3.47Å; R891-D964 VanDerWaalsContact NH2-CG 3.31Å; R891-D964 IonicContact NH2-OD1 3.71Å; R891-D964 PolarHBondContact NH2-OD1 3Å; R891-D964 IonicContact NH2-OD2 3.5Å; R891-D964 PolarHBondContact NH2-OD2 3.12Å; R891-E986 IonicContact NH1-OE1 2.82Å; R891-F990 HydrophobicContact CG-CD1 3.94Å; R891-F990 HydrophobicContact CG-CD2 4.18Å; R891-F990 HydrophobicContact CG-CE1 3.62Å; R891-F990 HydrophobicContact CG-CE2 3.86Å; R891-F990 HydrophobicContact CG-CG 4.23Å; R891-F990 HydrophobicContact CG-CZ 3.58Å
892K95Very high94.3Very high46 Ų4628.7 Ų28.720%0.213%0.134CC..Hα-helixtrans-60-54.5174.9177.3-150.7170.7-143.60111.6N835 L836 I839 L888 R889 Q890 I894 M895 K896N835-K892 HydrophobicContact CB-CD 3.94Å; N835-K892 WeakPolarHBondContact O-CG 3.48Å; L836-K892 HydrophobicContact CB-CB 4.44Å; L836-K892 HydrophobicContact CD1-CB 4.18Å; I839-K892 HydrophobicContact CD1-CB 4.39Å; I839-K892 HydrophobicContact CD1-CG 3.57Å; I839-K892 WeakPolarHBondContact CD1-O 3.48Å; L888-K892 WeakPolarHBondContact O-CB 3.43Å; L888-K892 PolarHBondContact O-N 3.12Å; R889-K892 WeakPolarHBondContact O-CB 3.34Å; R889-K892 PolarHBondContact O-N 3.33Å; Q890-K892 VanDerWaalsContact C-N 3.31Å; Q890-K892 PolarHBondContact O-N 2.89Å; K892-I894 VanDerWaalsContact C-N 3.34Å; K892-I894 PolarHBondContact O-N 3.38Å; K892-M895 PolarHBondContact O-N 3.1Å; K892-K896 VanDerWaalsContact O-CB 3.31Å; K892-K896 WeakPolarHBondContact O-CB 3.23Å; K892-K896 PolarHBondContact O-N 3.42Å
893E94.8Very high94.4Very high73 Ų7325.5 Ų25.534%0.34112%0.121SC..Hα-helixtrans-66.2-36.9-177.2-61.9-51.7134.800112R889 Q890 S897R889-E893 WeakPolarHBondContact O-CG 3.46Å; R889-E893 PolarHBondContact O-N 2.68Å; Q890-E893 PolarHBondContact O-N 3.12Å; E893-S897 WeakPolarHBondContact O-CB 3.41Å; E893-S897 PolarHBondContact O-N 3.39Å
894I95.2Very high94.3Very high2 Ų225.9 Ų25.91%0.0113%0.131CC..Hα-helixtrans-59.1-54.5172.2-74.3167000110.6Q890 K892 K896 S897 I898 M963 F990 L993 K994 I997Q890-I894 WeakPolarHBondContact O-CB 3.4Å; Q890-I894 VanDerWaalsContact O-CG1 3.28Å; Q890-I894 WeakPolarHBondContact O-CG1 3.49Å; Q890-I894 PolarHBondContact O-N 3Å; K892-I894 VanDerWaalsContact C-N 3.34Å; K892-I894 PolarHBondContact O-N 3.38Å; I894-K896 VanDerWaalsContact C-N 3.35Å; I894-K896 PolarHBondContact O-N 2.57Å; I894-S897 WeakPolarHBondContact O-CB 3.35Å; I894-S897 PolarHBondContact O-N 2.69Å; I894-I898 HydrophobicContact CG2-CD1 3.78Å; I894-I898 WeakPolarHBondContact O-CG1 3.42Å; I894-I898 PolarHBondContact O-N 3.24Å; I894-M963 HydrophobicContact CG2-CE 3.68Å; I894-M963 HydrophobicContact CG2-SD 4.35Å; I894-F990 HydrophobicContact CD1-CD1 3.91Å; I894-L993 HydrophobicContact CD1-CB 4.41Å; I894-L993 HydrophobicContact CD1-CD2 4.31Å; I894-L993 HydrophobicContact CD1-CG 4.21Å; I894-K994 HydrophobicContact CD1-CB 4.04Å; I894-K994 HydrophobicContact CG1-CB 3.94Å; I894-K994 HydrophobicContact CG1-CG 4.37Å; I894-I997 HydrophobicContact CG1-CD1 4.44Å; I894-I997 HydrophobicContact CG2-CD1 3.7Å
895M95.5Very high94Very high1 Ų129 Ų291%0.00515%0.148CC..Hα-helixtrans-64.7-38.8-179-73.4-58.8-57.600112I839 Y840 R891 K892 S897 I898 L899 T956 L959 M963I839-M895 HydrophobicContact CG2-CB 4.45Å; Y840-M895 HydrophobicContact CE1-CG 4.41Å; R891-M895 WeakPolarHBondContact O-CB 3.29Å; R891-M895 WeakPolarHBondContact O-CG 3.31Å; R891-M895 PolarHBondContact O-N 2.96Å; K892-M895 PolarHBondContact O-N 3.1Å; M895-S897 PolarHBondContact O-N 3.11Å; M895-I898 PolarHBondContact O-N 3.2Å; M895-I898 HydrophobicContact SD-CD1 4.47Å; M895-L899 HydrophobicContact CE-CD1 4Å; M895-L899 HydrophobicContact CE-CD2 4.05Å; M895-L899 HydrophobicContact CE-CG 3.99Å; M895-L899 WeakPolarHBondContact O-CB 3.49Å; M895-L899 WeakPolarHBondContact O-CG 3.23Å; M895-L899 PolarHBondContact O-N 2.81Å; M895-T956 HydrophobicContact CE-CG2 3.92Å; M895-L959 HydrophobicContact CE-CB 4.29Å; M895-L959 HydrophobicContact CE-CD1 4.09Å; M895-L959 HydrophobicContact SD-CB 4.22Å; M895-L959 HydrophobicContact SD-CD1 4.49Å; M895-M963 HydrophobicContact SD-CE 3.89Å
896K95.1Very high93.7Very high62 Ų6229.2 Ų29.227%0.2715%0.149SC..Hα-helixtrans-59.7-43.1174.3-179.9164.2174.6151.30112I839 K892 I894 N900 V940 L941I839-K896 HydrophobicContact CD1-CB 3.97Å; K892-K896 VanDerWaalsContact O-CB 3.31Å; K892-K896 WeakPolarHBondContact O-CB 3.23Å; K892-K896 PolarHBondContact O-N 3.42Å; I894-K896 VanDerWaalsContact C-N 3.35Å; I894-K896 PolarHBondContact O-N 2.57Å; K896-N900 WeakPolarHBondContact CG-ND2 3.37Å; K896-N900 WeakPolarHBondContact O-CB 3.24Å; K896-N900 PolarHBondContact O-N 3.42Å; K896-N900 VanDerWaalsContact O-N 3.1Å; K896-N900 PolarHBondContact O-ND2 2.81Å; K896-N900 VanDerWaalsContact O-ND2 3.09Å; K896-V940 WeakPolarHBondContact CD-O 3.44Å; K896-V940 WeakPolarHBondContact CE-O 3.41Å; K896-V940 PolarHBondContact NZ-O 3.21Å; K896-L941 HydrophobicContact CG-CD2 4.34Å
897S93.1Very high93.5Very high29 Ų2930.1 Ų30.120%0.20315%0.148CC..Hα-helixtrans-59.9-54.4173.91760000111.4E893 I894 M895 L899 N900 N901E893-S897 WeakPolarHBondContact O-CB 3.41Å; E893-S897 PolarHBondContact O-N 3.39Å; I894-S897 WeakPolarHBondContact O-CB 3.35Å; I894-S897 PolarHBondContact O-N 2.69Å; M895-S897 PolarHBondContact O-N 3.11Å; S897-L899 PolarHBondContact O-N 3.41Å; S897-N900 PolarHBondContact O-N 2.99Å; S897-N901 WeakPolarHBondContact O-CB 3.4Å; S897-N901 PolarHBondContact O-N 3.29Å
898I94Very high93Very high0 Ų035.5 Ų35.50%017%0.173CC..Hα-helixtrans-60.5-48.8-175.8-60.9167.2000111.1Y197 I201 I894 M895 N901 Q902 L959 M963 I997Y197-I898 HydrophobicContact CE1-CG2 4.17Å; I201-I898 HydrophobicContact CD1-CG1 4.14Å; I201-I898 HydrophobicContact CD1-CG2 3.92Å; I201-I898 HydrophobicContact CG2-CD1 4.24Å; I894-I898 HydrophobicContact CG2-CD1 3.78Å; I894-I898 WeakPolarHBondContact O-CG1 3.42Å; I894-I898 PolarHBondContact O-N 3.24Å; M895-I898 PolarHBondContact O-N 3.2Å; M895-I898 HydrophobicContact SD-CD1 4.47Å; I898-N901 PolarHBondContact O-N 2.98Å; I898-Q902 WeakPolarHBondContact O-CB 3.42Å; I898-Q902 PolarHBondContact O-N 2.88Å; I898-L959 HydrophobicContact CD1-CD2 4.33Å; I898-L959 HydrophobicContact CG2-CD1 3.73Å; I898-M963 HydrophobicContact CD1-CE 3.85Å; I898-I997 HydrophobicContact CD1-CD1 4.14Å; I898-I997 HydrophobicContact CG1-CG2 4.48Å
899L94.8Very high92.6Very high0 Ų036.5 Ų36.50%018%0.177CC..Hα-helixtrans-73.2-33.9-175.2-58.9-172000112.6I839 A843 M895 S897 Q902 V903 L941 L953 T956 L959I839-L899 HydrophobicContact CG2-CD1 3.9Å; A843-L899 HydrophobicContact CB-CD1 4.23Å; M895-L899 HydrophobicContact CE-CD1 4Å; M895-L899 HydrophobicContact CE-CD2 4.05Å; M895-L899 HydrophobicContact CE-CG 3.99Å; M895-L899 WeakPolarHBondContact O-CB 3.49Å; M895-L899 WeakPolarHBondContact O-CG 3.23Å; M895-L899 PolarHBondContact O-N 2.81Å; S897-L899 PolarHBondContact O-N 3.41Å; L899-Q902 PolarHBondContact O-N 3.49Å; L899-V903 WeakPolarHBondContact O-CG2 3.33Å; L899-V903 PolarHBondContact O-N 3.48Å; L899-L941 HydrophobicContact CB-CD1 4.02Å; L899-L941 HydrophobicContact CB-CD2 4.04Å; L899-L941 HydrophobicContact CD1-CD1 4.24Å; L899-L953 HydrophobicContact CB-CD2 4.15Å; L899-L953 HydrophobicContact CD2-CD2 3.87Å; L899-L953 HydrophobicContact CG-CD2 4.37Å; L899-T956 HydrophobicContact CD1-CG2 4.42Å; L899-L959 HydrophobicContact CD2-CD1 4.34Å
900N94.2Very high92.1Very high34 Ų3432.2 Ų32.218%0.18216%0.161CC..Hα-helixtrans-65.3-40.9172.7-77-24.3000112.2K896 S897 Q902 S904 L941 C942K896-N900 WeakPolarHBondContact CG-ND2 3.37Å; K896-N900 WeakPolarHBondContact O-CB 3.24Å; K896-N900 PolarHBondContact O-N 3.42Å; K896-N900 VanDerWaalsContact O-N 3.1Å; K896-N900 PolarHBondContact O-ND2 2.81Å; K896-N900 VanDerWaalsContact O-ND2 3.09Å; S897-N900 PolarHBondContact O-N 2.99Å; N900-Q902 VanDerWaalsContact C-N 3.35Å; N900-S904 WeakPolarHBondContact O-CB 3.29Å; N900-S904 PolarHBondContact O-N 2.96Å; N900-S904 PolarHBondContact O-OG 3.41Å; N900-L941 VanDerWaalsContact OD1-CA 3.28Å; N900-L941 WeakPolarHBondContact OD1-CA 3.39Å; N900-L941 WeakPolarHBondContact OD1-CB 3.37Å; N900-C942 PolarHBondContact OD1-N 3.34Å
901N91.8Very high91.6Very high72 Ų7236.8 Ų36.839%0.38518%0.181SC..Hα-helixtrans-64.5-42.2173.5-71.1-8.7000110.6Y197 S897 I898 S904 N905Y197-N901 HydrophobicContact CE1-CB 3.82Å; Y197-N901 WeakPolarHBondContact OH-CB 3.5Å; Y197-N901 PolarHBondContact OH-ND2 3.42Å; S897-N901 WeakPolarHBondContact O-CB 3.4Å; S897-N901 PolarHBondContact O-N 3.29Å; I898-N901 PolarHBondContact O-N 2.98Å; N901-S904 PolarHBondContact O-N 3.25Å; N901-N905 WeakPolarHBondContact O-CB 3.4Å; N901-N905 PolarHBondContact O-N 3.47Å; N901-N905 PolarHBondContact O-ND2 2.79Å
902Q92.8Very high90.9Very high2 Ų242.3 Ų42.31%0.00921%0.205CC..Hα-helixtrans-60.6-48.8177.5-176.960.119.300112.4S194 V198 I898 L899 N900 S904 N905 E906 S952 L953S194-Q902 PolarHBondContact O-NE2 2.64Å; V198-Q902 HydrophobicContact CG2-CG 4.42Å; I898-Q902 WeakPolarHBondContact O-CB 3.42Å; I898-Q902 PolarHBondContact O-N 2.88Å; L899-Q902 PolarHBondContact O-N 3.49Å; N900-Q902 VanDerWaalsContact C-N 3.35Å; Q902-S904 VanDerWaalsContact C-N 3.34Å; Q902-S904 PolarHBondContact O-N 2.89Å; Q902-N905 PolarHBondContact O-N 3.34Å; Q902-E906 WeakPolarHBondContact O-CB 3.29Å; Q902-E906 PolarHBondContact O-N 3.39Å; Q902-S952 VanDerWaalsContact NE2-CB 3.3Å; Q902-S952 PolarHBondContact NE2-OG 3.38Å; Q902-L953 HydrophobicContact CG-CD2 4.32Å
903V92.1Very high90.1Very high3 Ų340.8 Ų40.82%0.01820%0.199CC..Hα-helixtrans-62.4-40.6175.9168.50000111.5L899 E906 R907 C942 H950 L953L899-V903 WeakPolarHBondContact O-CG2 3.33Å; L899-V903 PolarHBondContact O-N 3.48Å; V903-E906 PolarHBondContact O-N 3.44Å; V903-R907 HydrophobicContact CG1-CG 4.37Å; V903-R907 WeakPolarHBondContact O-CB 3.42Å; V903-R907 VanDerWaalsContact O-CG 3.29Å; V903-R907 WeakPolarHBondContact O-CG 3.38Å; V903-R907 PolarHBondContact O-N 3.42Å; V903-C942 WeakPolarHBondContact CG1-SG 3.43Å; V903-H950 WeakPolarHBondContact CG1-NE2 3.41Å; V903-L953 HydrophobicContact CG2-CD1 4.08Å; V903-L953 HydrophobicContact CG2-CD2 4.06Å; V903-L953 HydrophobicContact CG2-CG 4.39Å
904S90.8Very high88.9Confident61 Ų6139.5 Ų39.543%0.42719%0.194SC..Hα-helixtrans-64.2-44.6177.8-58.50000112.1N900 N901 Q902 R907 E908N900-S904 WeakPolarHBondContact O-CB 3.29Å; N900-S904 PolarHBondContact O-N 2.96Å; N900-S904 PolarHBondContact O-OG 3.41Å; N901-S904 PolarHBondContact O-N 3.25Å; Q902-S904 VanDerWaalsContact C-N 3.34Å; Q902-S904 PolarHBondContact O-N 2.89Å; S904-R907 PolarHBondContact O-N 3.5Å; S904-E908 PolarHBondContact O-N 3.2Å
905N88.3Confident87.1Confident65 Ų6544 Ų4435%0.34823%0.23SC..Hα-helixtrans-62.3-41.4175.1-69.8-25.1000111.9N901 Q902 Y909N901-N905 WeakPolarHBondContact O-CB 3.4Å; N901-N905 PolarHBondContact O-N 3.47Å; N901-N905 PolarHBondContact O-ND2 2.79Å; Q902-N905 PolarHBondContact O-N 3.34Å; N905-Y909 PolarHBondContact O-N 2.77Å
906E88.8Confident85.3Confident6 Ų651.7 Ų51.73%0.02827%0.272CS..Hα-helixtrans-66.2-46.2177.5-168.4177.4164.600111.1Y190 Q902 V903 E908 Y909 L910 H950 P951 S952Y190-E906 PolarHBondContact OH-OE1 2.8Å; Q902-E906 WeakPolarHBondContact O-CB 3.29Å; Q902-E906 PolarHBondContact O-N 3.39Å; V903-E906 PolarHBondContact O-N 3.44Å; E906-E908 PolarHBondContact O-N 3.28Å; E906-Y909 PolarHBondContact O-N 3.41Å; E906-Y909 VanDerWaalsContact O-N 3.1Å; E906-L910 HydrophobicContact CG-CD1 4.05Å; E906-L910 HydrophobicContact CG-CG 4.21Å; E906-L910 VanDerWaalsContact O-CG 3.3Å; E906-L910 WeakPolarHBondContact O-CG 3.23Å; E906-L910 PolarHBondContact O-N 3.39Å; E906-H950 IonicContact OE1-ND1 3.36Å; E906-H950 IonicContact OE2-CG 2.77Å; E906-H950 IonicContact OE2-ND1 2.77Å; E906-P951 WeakPolarHBondContact OE1-CD 3.46Å; E906-S952 VanDerWaalsContact OE2-CB 3.29Å; E906-S952 WeakPolarHBondContact OE2-CB 3.47Å; E906-S952 PolarHBondContact OE2-OG 2.84Å
907R89.8Confident83.9Confident38 Ų3856.7 Ų56.714%0.14329%0.294CS..Hα-helixtrans-56.2-45.5174.9-76.3169.7166.7171.7-6.5112.6V903 S904 Y909 L910 K911 L926 C942 P943 E948V903-R907 HydrophobicContact CG1-CG 4.37Å; V903-R907 WeakPolarHBondContact O-CB 3.42Å; V903-R907 VanDerWaalsContact O-CG 3.29Å; V903-R907 WeakPolarHBondContact O-CG 3.38Å; V903-R907 PolarHBondContact O-N 3.42Å; S904-R907 PolarHBondContact O-N 3.5Å; R907-Y909 VanDerWaalsContact C-N 3.26Å; R907-Y909 PolarHBondContact O-N 3.13Å; R907-L910 PolarHBondContact O-N 2.97Å; R907-K911 WeakPolarHBondContact O-CG 3.4Å; R907-K911 PolarHBondContact O-N 2.78Å; R907-L926 HydrophobicContact CB-CD2 4.34Å; R907-L926 HydrophobicContact CG-CD2 4.15Å; R907-C942 PolarHBondContact NH1-SG 3.18Å; R907-C942 VanDerWaalsContact NH1-SG 3.36Å; R907-P943 PolarHBondContact NH2-O 3.38Å; R907-E948 IonicContact CZ-OE1 3.66Å; R907-E948 IonicContact CZ-OE2 3.83Å; R907-E948 IonicContact NE-OE1 2.77Å; R907-E948 PolarHBondContact NE-OE1 2.89Å; R907-E948 IonicContact NE-OE2 3.2Å; R907-E948 VanDerWaalsContact NH2-CD 3.35Å; R907-E948 IonicContact NH2-OE1 2.71Å; R907-E948 PolarHBondContact NH2-OE1 3.38Å; R907-E948 IonicContact NH2-OE2 3.19Å; R907-E948 PolarHBondContact NH2-OE2 2.72Å
908E86.8Confident82.7Confident113 Ų11358.6 Ų58.653%0.52830%0.304SS..Hα-helixtrans-64.6-31.8178.3-157-156.4135.400112.3S904 E906 K912S904-E908 PolarHBondContact O-N 3.2Å; E906-E908 PolarHBondContact O-N 3.28Å; E908-K912 WeakPolarHBondContact O-CD 3.17Å; E908-K912 WeakPolarHBondContact O-CE 3.34Å; E908-K912 WeakPolarHBondContact O-CG 3.32Å; E908-K912 WeakPolarHBondContact OE1-CE 3.49Å; E908-K912 IonicContact OE1-NZ 2.77Å; E908-K912 PolarHBondContact OE1-NZ 3.07Å
909Y86Confident81.9Confident23 Ų2362.1 Ų62.19%0.0932%0.32CS..Hα-helixtrans-78.1-43.4176.7-173.3-129.7000112.4Y190 R193 N905 E906 R907 K911 K912 L913 E1022Y190-Y909 HydrophobicContact CD2-CD1 4.14Å; Y190-Y909 AromaticContact CD2-CE1 3.8Å; Y190-Y909 HydrophobicContact CD2-CE1 3.8Å; Y190-Y909 HydrophobicContact CE2-CD1 4.48Å; R193-Y909 HydrophobicContact CB-CE1 4.03Å; R193-Y909 HydrophobicContact CG-CD1 3.94Å; R193-Y909 HydrophobicContact CG-CD2 4.38Å; R193-Y909 HydrophobicContact CG-CE1 3.52Å; R193-Y909 HydrophobicContact CG-CE2 4.02Å; R193-Y909 HydrophobicContact CG-CG 4.35Å; N905-Y909 PolarHBondContact O-N 2.77Å; E906-Y909 PolarHBondContact O-N 3.41Å; E906-Y909 VanDerWaalsContact O-N 3.1Å; R907-Y909 VanDerWaalsContact C-N 3.26Å; R907-Y909 PolarHBondContact O-N 3.13Å; Y909-K911 PolarHBondContact O-N 3.23Å; Y909-K912 WeakPolarHBondContact O-CB 3.23Å; Y909-K912 PolarHBondContact O-N 3.37Å; Y909-L913 HydrophobicContact CD1-CD1 3.99Å; Y909-L913 HydrophobicContact CE1-CD1 3.77Å; Y909-L913 HydrophobicContact CE1-CG 4.48Å; Y909-L913 HydrophobicContact CE2-CD1 4.48Å; Y909-L913 HydrophobicContact CE2-CD2 4.2Å; Y909-L913 HydrophobicContact CE2-CG 4.34Å; Y909-L913 HydrophobicContact CG-CD1 4.44Å; Y909-L913 PolarHBondContact O-N 2.85Å; Y909-E1022 WeakPolarHBondContact CE2-O 3.34Å; Y909-E1022 PolarHBondContact OH-O 2.69Å
910L85.2Confident81.4Confident6 Ų665.4 Ų65.43%0.03133%0.333CS..Hα-helixtrans-56.4-36.5176-72.2172.8000112.6Y190 E906 R907 K912 L913 H914 P923 L926Y190-L910 HydrophobicContact CE2-CD2 4.49Å; E906-L910 HydrophobicContact CG-CD1 4.05Å; E906-L910 HydrophobicContact CG-CG 4.21Å; E906-L910 VanDerWaalsContact O-CG 3.3Å; E906-L910 WeakPolarHBondContact O-CG 3.23Å; E906-L910 PolarHBondContact O-N 3.39Å; R907-L910 PolarHBondContact O-N 2.97Å; L910-K912 VanDerWaalsContact C-N 3.28Å; L910-K912 PolarHBondContact O-N 3.25Å; L910-L913 PolarHBondContact O-N 2.6Å; L910-H914 PolarHBondContact O-ND1 3.36Å; L910-P923 HydrophobicContact CD2-CB 4.07Å; L910-P923 HydrophobicContact CD2-CG 3.31Å; L910-L926 HydrophobicContact CB-CB 4.39Å
911K83.8Confident80.8Confident114 Ų11463.8 Ų63.850%0.49633%0.325SS..Hα-helixtrans-68.4-19.7175.3-71.4-176.8-171.5-150.80114.4R907 Y909 L926 E928R907-K911 WeakPolarHBondContact O-CG 3.4Å; R907-K911 PolarHBondContact O-N 2.78Å; Y909-K911 PolarHBondContact O-N 3.23Å; K911-L926 HydrophobicContact CG-CD2 4.28Å; K911-E928 WeakPolarHBondContact CE-OE1 3.49Å; K911-E928 IonicContact NZ-OE1 3.83Å; K911-E928 PolarHBondContact NZ-OE1 3.41Å; K911-E928 IonicContact NZ-OE2 2.72Å; K911-E928 PolarHBondContact NZ-OE2 3.18Å
912K80.8Confident80.5Confident138 Ų13861 Ų6160%0.631%0.31SS*.Hα-helixtrans-91.1-23177.7-65.8167-172.1171.90112.7E908 Y909 L910E908-K912 WeakPolarHBondContact O-CD 3.17Å; E908-K912 WeakPolarHBondContact O-CE 3.34Å; E908-K912 WeakPolarHBondContact O-CG 3.32Å; E908-K912 WeakPolarHBondContact OE1-CE 3.49Å; E908-K912 IonicContact OE1-NZ 2.77Å; E908-K912 PolarHBondContact OE1-NZ 3.07Å; Y909-K912 WeakPolarHBondContact O-CB 3.23Å; Y909-K912 PolarHBondContact O-N 3.37Å; L910-K912 VanDerWaalsContact C-N 3.28Å; L910-K912 PolarHBondContact O-N 3.25Å
913L77.7Confident79.9Confident14 Ų1461.3 Ų61.37%0.07331%0.312CS..Hα-helixtrans-83.3-29.7-175.4-69.4172.4000114.2Y190 Y909 L910 L922 V1024Y190-L913 HydrophobicContact CD2-CD1 4.31Å; Y909-L913 HydrophobicContact CD1-CD1 3.99Å; Y909-L913 HydrophobicContact CE1-CD1 3.77Å; Y909-L913 HydrophobicContact CE1-CG 4.48Å; Y909-L913 HydrophobicContact CE2-CD1 4.48Å; Y909-L913 HydrophobicContact CE2-CD2 4.2Å; Y909-L913 HydrophobicContact CE2-CG 4.34Å; Y909-L913 HydrophobicContact CG-CD1 4.44Å; Y909-L913 PolarHBondContact O-N 2.85Å; L910-L913 PolarHBondContact O-N 2.6Å; L913-L922 HydrophobicContact CD1-CD2 4.25Å; L913-V1024 HydrophobicContact CD2-CB 3.85Å; L913-V1024 HydrophobicContact CD2-CG2 3.76Å
914H70.5Confident79.3Confident47 Ų4762.3 Ų62.322%0.21832%0.318CS..  trans-108.3107.2-168-64.297.9000112.1L910 P923 P925L910-H914 PolarHBondContact O-ND1 3.36Å; H914-P923 PolarHBondContact NE2-O 3.49Å; H914-P925 HydrophobicContact CB-CB 4.44Å
915A56.4Low78.7Confident95 Ų9560.8 Ų60.879%0.78531%0.307SS*.SBendtrans-107-45.8178.600000114.3
916D58.4Low78.5Confident164 Ų16459.3 Ų59.388%0.87730%0.299SS*.SBendtrans-154.5-29.4-175.9-102.7-42.7000115
917K65.9Low78.3Confident167 Ų16760.5 Ų60.573%0.72631%0.306SS*.  trans-121143.4-174.1-66.3179.4-177.5173.90111.7
918V67.3Low78Confident69 Ų6963.1 Ų63.142%0.41832%0.319SS..  trans-90.3116.2170.8-179.90000108.1P925V918-P925 HydrophobicContact CG2-CG 4.43Å
919E77.9Confident77.9Confident73 Ų7361.5 Ų61.534%0.34131%0.311SS..  trans-109.9134.7176.8-55.2-162.2143.400110.3R186R186-E919 IonicContact CZ-OE2 3.68Å; R186-E919 IonicContact NE-OE2 2.78Å; R186-E919 PolarHBondContact NE-OE2 3.44Å; R186-E919 IonicContact NH2-OE1 3.81Å; R186-E919 PolarHBondContact NH2-OE1 2.87Å; R186-E919 IonicContact NH2-OE2 3.73Å; R186-E919 PolarHBondContact NH2-OE2 3.12Å
920Y85.1Confident77.7Confident69 Ų6963.2 Ų63.227%0.27133%0.325SS..THydrogen-bonded Turntrans-66.5150.2-179.2-58.6-34.3000112.2N146 E147 D150 R186 L922N146-Y920 WeakPolarHBondContact CB-OH 3.33Å; E147-Y920 HydrophobicContact CB-CD1 3.9Å; E147-Y920 HydrophobicContact CB-CE1 3.73Å; E147-Y920 HydrophobicContact CG-CD1 3.75Å; E147-Y920 HydrophobicContact CG-CE1 4.11Å; E147-Y920 HydrophobicContact CG-CG 4.13Å; D150-Y920 HydrophobicContact CB-CD2 4.45Å; D150-Y920 HydrophobicContact CB-CE2 3.94Å; D150-Y920 VanDerWaalsContact OD2-CD2 3.29Å; D150-Y920 WeakPolarHBondContact OD2-CD2 3.35Å; D150-Y920 WeakPolarHBondContact OD2-CE2 3.49Å; R186-Y920 VanDerWaalsContact CD-O 3.3Å; R186-Y920 WeakPolarHBondContact CD-O 3.48Å; Y920-L922 VanDerWaalsContact C-N 3.32Å
921G81.4Confident77.7Confident1 Ų167.6 Ų67.61%0.0135%0.348CS..THydrogen-bonded Turntrans92.7-18.7-174.300000113.8H187H187-G921 VanDerWaalsContact CA-O 3.26Å; H187-G921 WeakPolarHBondContact CA-O 3.43Å; H187-G921 WeakPolarHBondContact CB-O 3.35Å
922L83.9Confident77.9Confident12 Ų1262.9 Ų62.96%0.06333%0.328CS..SBendtrans-79.4160.2165.6-71.5176.5000111.6R105 L913 Y920 V1024R105-L922 PolarHBondContact NH2-O 3.32Å; R105-L922 VanDerWaalsContact NH2-O 3.07Å; L913-L922 HydrophobicContact CD1-CD2 4.25Å; Y920-L922 VanDerWaalsContact C-N 3.32Å; L922-V1024 HydrophobicContact CD2-CB 4.28Å; L922-V1024 HydrophobicContact CD2-CG1 3.9Å; L922-V1024 HydrophobicContact CD2-CG2 4.19Å
923P81.3Confident78.1Confident10 Ų1056.8 Ų56.87%0.06530%0.303CS..PPolyproline II helixtrans-66.7164.8163.433-40.4000111.4Y190 L910 H914Y190-P923 HydrophobicContact CD2-CG 3.87Å; Y190-P923 HydrophobicContact CE1-CB 4.45Å; Y190-P923 HydrophobicContact CE1-CG 4.27Å; Y190-P923 HydrophobicContact CE2-CB 4.32Å; Y190-P923 HydrophobicContact CE2-CG 3.53Å; Y190-P923 HydrophobicContact CG-CG 4.41Å; L910-P923 HydrophobicContact CD2-CB 4.07Å; L910-P923 HydrophobicContact CD2-CG 3.31Å; H914-P923 PolarHBondContact NE2-O 3.49Å
924P78.9Confident78.2Confident23 Ų2356.4 Ų56.415%0.14930%0.302CS..PPolyproline II helixtrans-53.2146.3170.3-27.436000113.9L112 K140L112-P924 HydrophobicContact CD2-CG 3.94Å; K140-P924 HydrophobicContact CD-CB 4.29Å
925P78.5Confident78.8Confident30 Ų3054.2 Ų54.220%0.19529%0.292CS..PPolyproline II helixtrans-63.2142.9168.826.4-34.2000111.2H914 V918 I927H914-P925 HydrophobicContact CB-CB 4.44Å; V918-P925 HydrophobicContact CG2-CG 4.43Å; P925-I927 PolarHBondContact O-N 2.9Å
926L83.4Confident80.1Confident33 Ų3350 Ų5017%0.17326%0.256CS..PPolyproline II helixtrans-74.2118.2178.9176.358.9000110.9R907 L910 K911 E928 Y945 E948R907-L926 HydrophobicContact CB-CD2 4.34Å; R907-L926 HydrophobicContact CG-CD2 4.15Å; L910-L926 HydrophobicContact CB-CB 4.39Å; K911-L926 HydrophobicContact CG-CD2 4.28Å; L926-E928 HydrophobicContact CD2-CG 4.22Å; L926-E928 HydrophobicContact CG-CG 3.95Å; L926-Y945 HydrophobicContact CD1-CD2 3.95Å; L926-Y945 HydrophobicContact CD1-CE2 4.44Å; L926-E948 HydrophobicContact CD1-CB 4.2Å; L926-E948 HydrophobicContact CD1-CG 3.83Å; L926-E948 WeakPolarHBondContact CD1-OE1 3.44Å
927I84.4Confident81.1Confident32 Ų3245.4 Ų45.416%0.16423%0.232CC..  trans-105102.3178.9-60.3168.3000108.7E136 P925 K929 Y945 L947E136-I927 HydrophobicContact CB-CD1 4.42Å; P925-I927 PolarHBondContact O-N 2.9Å; I927-K929 HydrophobicContact CG2-CB 4.43Å; I927-K929 HydrophobicContact CG2-CG 4.42Å; I927-K929 PolarHBondContact O-N 2.96Å; I927-Y945 VanDerWaalsContact O-CB 3.26Å; I927-Y945 WeakPolarHBondContact O-CB 3.48Å; I927-L947 HydrophobicContact CD1-CB 4.33Å; I927-L947 HydrophobicContact CD1-CD1 3.78Å
928E84.9Confident81.8Confident93 Ų9344 Ų4444%0.43523%0.228SC..  trans-79.554.6-172-57.9-156.6117.500113.8K911 L926 Y945K911-E928 WeakPolarHBondContact CE-OE1 3.49Å; K911-E928 IonicContact NZ-OE1 3.83Å; K911-E928 PolarHBondContact NZ-OE1 3.41Å; K911-E928 IonicContact NZ-OE2 2.72Å; K911-E928 PolarHBondContact NZ-OE2 3.18Å; L926-E928 HydrophobicContact CD2-CG 4.22Å; L926-E928 HydrophobicContact CG-CG 3.95Å; E928-Y945 HydrophobicContact CB-CD1 4.37Å; E928-Y945 HydrophobicContact CB-CD2 4.45Å; E928-Y945 HydrophobicContact CB-CE1 3.83Å; E928-Y945 HydrophobicContact CB-CE2 3.94Å; E928-Y945 HydrophobicContact CG-CD2 4.36Å; E928-Y945 HydrophobicContact CG-CE2 3.78Å; E928-Y945 PolarHBondContact OE1-OH 3.47Å
929K84.4Confident82.3Confident79 Ų7943.1 Ų43.134%0.34322%0.223SC..  trans-129.7142.6179.3-65.4-171.8-170.6165.30113.5S132 I133 E136 I927 Y945 L946S132-K929 PolarHBondContact O-NZ 3.37Å; I133-K929 HydrophobicContact CD1-CB 3.91Å; I133-K929 HydrophobicContact CG1-CB 4.17Å; I133-K929 HydrophobicContact CG1-CD 4.08Å; E136-K929 IonicContact OE1-NZ 2.68Å; E136-K929 PolarHBondContact OE1-NZ 3.29Å; E136-K929 WeakPolarHBondContact OE2-CD 3.21Å; E136-K929 VanDerWaalsContact OE2-CE 3.29Å; E136-K929 WeakPolarHBondContact OE2-CE 3.29Å; E136-K929 IonicContact OE2-NZ 3.24Å; E136-K929 PolarHBondContact OE2-NZ 2.89Å; I927-K929 HydrophobicContact CG2-CB 4.43Å; I927-K929 HydrophobicContact CG2-CG 4.42Å; I927-K929 PolarHBondContact O-N 2.96Å; K929-Y945 VanDerWaalsContact N-CD1 3.26Å; K929-L946 PolarHBondContact O-N 3.39Å
930C82.3Confident82.6Confident58 Ų5840.6 Ų40.639%0.39221%0.213SC..  trans50.293.3-178.4-168.50000113.1I133 Y945 L946I133-C930 HydrophobicContact CD1-CB 3.46Å; I133-C930 VanDerWaalsContact CD1-CB 3.46Å; C930-Y945 CarbonylContact O-C 3.59Å; C930-Y945 WeakPolarHBondContact O-CA 3.47Å; C930-L946 HydrophobicContact CB-CB 4.13Å; C930-L946 PolarHBondContact O-N 3.43Å
931L85.4Confident82.8Confident98 Ų9838 Ų3851%0.51320%0.203SC..EExtended strand (participates in β ladder)trans-71.3134.2170.9-69170.4000110P943 V944 Y945L931-P943 HydrophobicContact CB-CB 4.32Å; L931-P943 HydrophobicContact CD1-CB 4.49Å; L931-P943 HydrophobicContact CD2-CB 4.19Å; L931-V944 CarbonylContact C-O 3.57Å; L931-V944 WeakPolarHBondContact CA-O 3.5Å; L931-Y945 HydrophobicContact CD2-CD1 3.43Å; L931-Y945 VanDerWaalsContact CD2-CD1 3.43Å; L931-Y945 HydrophobicContact CD2-CD2 4.24Å; L931-Y945 HydrophobicContact CD2-CE1 3.39Å; L931-Y945 HydrophobicContact CD2-CE2 4.19Å; L931-Y945 HydrophobicContact CD2-CG 3.88Å; L931-Y945 HydrophobicContact CG-CD1 3.92Å; L931-Y945 HydrophobicContact CG-CE1 3.77Å
932I86.9Confident83.1Confident15 Ų1539 Ų398%0.07721%0.211CC..EExtended strand (participates in β ladder)trans-128.1160.417861.2161.8000110.6R119 Y123 P934 V944 L946R119-I932 HydrophobicContact CG-CD1 3.88Å; Y123-I932 HydrophobicContact CD1-CB 4.32Å; Y123-I932 HydrophobicContact CD1-CG2 3.99Å; Y123-I932 HydrophobicContact CD2-CD1 3.9Å; Y123-I932 HydrophobicContact CE1-CB 4.31Å; Y123-I932 HydrophobicContact CE1-CG2 4.49Å; Y123-I932 HydrophobicContact CE2-CD1 3.82Å; Y123-I932 HydrophobicContact CG-CD1 4.45Å; Y123-I932 HydrophobicContact CG-CG2 4.06Å; I932-P934 HydrophobicContact CD1-CB 4.43Å; I932-V944 HydrophobicContact CG1-CG2 4.07Å; I932-V944 WeakPolarHBondContact CG1-O 3.49Å; I932-V944 PolarHBondContact N-O 3.2Å; I932-V944 PolarHBondContact O-N 3.44Å; I932-L946 HydrophobicContact CD1-CD1 4.36Å; I932-L946 HydrophobicContact CG2-CD1 4.3Å
933A85.8Confident83.2Confident10 Ų1041.1 Ų41.18%0.08323%0.225CC..  trans-99.9117.9158.900000107.8Y123 T936 D937 P939Y123-A933 VanDerWaalsContact CZ-O 3.31Å; Y123-A933 PolarHBondContact OH-O 3.5Å; A933-T936 WeakPolarHBondContact CB-O 3.09Å; A933-D937 WeakPolarHBondContact CB-O 3.04Å; A933-P939 HydrophobicContact CB-CB 3.88Å; A933-P939 HydrophobicContact CB-CG 4.32Å
934P80.2Confident83.6Confident7 Ų740.8 Ų40.85%0.04522%0.222CC..SBendtrans-85.5-10.3-165.833.8-37.4000114.7Y123 E842 N845 I932 V944Y123-P934 WeakPolarHBondContact OH-CA 3.34Å; E842-P934 HydrophobicContact CG-CG 3.87Å; E842-P934 VanDerWaalsContact OE1-CD 3.25Å; E842-P934 WeakPolarHBondContact OE1-CD 3.31Å; E842-P934 WeakPolarHBondContact OE1-CG 3.5Å; N845-P934 PolarHBondContact ND2-O 3.34Å; I932-P934 HydrophobicContact CD1-CB 4.43Å; P934-V944 HydrophobicContact CB-CG2 4.31Å; P934-V944 HydrophobicContact CG-CG2 3.99Å
935N81.4Confident84.1Confident1 Ų141.8 Ų41.81%0.00522%0.224CC..SBendtrans-115.4-69-179172.630.4000110.3R122 Y656 Y736 D838 V841R122-N935 PolarHBondContact NH2-O 3.39Å; Y656-N935 PolarHBondContact OH-ND2 3.38Å; Y656-N935 VanDerWaalsContact OH-ND2 3.17Å; Y656-N935 PolarHBondContact OH-OD1 2.97Å; Y736-N935 WeakPolarHBondContact CD2-O 3.31Å; Y736-N935 VanDerWaalsContact CD2-OD1 3.23Å; Y736-N935 WeakPolarHBondContact CD2-OD1 3.22Å; D838-N935 PolarHBondContact O-ND2 2.8Å; V841-N935 HydrophobicContact CG1-CB 4.16Å; V841-N935 VanDerWaalsContact CG1-OD1 3.32Å; V841-N935 WeakPolarHBondContact CG1-OD1 3.31Å
936T83.6Confident84.6Confident5 Ų540.5 Ų40.53%0.03122%0.215CC..BIsolated β-bridgetrans-97177176.936.70000111.6I743 A933 E938I743-T936 HydrophobicContact CD1-CG2 4.36Å; A933-T936 WeakPolarHBondContact CB-O 3.09Å; T936-E938 PolarHBondContact OG1-O 3.28Å
937D81.2Confident84.8Confident69 Ų6939.4 Ų39.437%0.36921%0.209SC..SBendtrans-64-40.4169477.8000113.4Y736 Y737 H738 A933Y736-D937 PolarHBondContact O-N 2.79Å; Y737-D937 VanDerWaalsContact CA-OD2 3.31Å; Y737-D937 WeakPolarHBondContact CA-OD2 3.22Å; Y737-D937 HydrophobicContact CD1-CB 4.18Å; H738-D937 IonicContact CE1-OD1 2.68Å; H738-D937 IonicContact CG-OD1 2.73Å; H738-D937 PolarHBondContact N-OD2 3.43Å; H738-D937 IonicContact ND1-OD1 3.67Å; H738-D937 PolarHBondContact ND1-OD1 3.36Å; H738-D937 IonicContact ND1-OD2 3.96Å; A933-D937 WeakPolarHBondContact CB-O 3.04Å
938E79.8Confident85.1Confident138 Ų13838.1 Ų38.165%0.64520%0.203SC*.SBendtrans-93.9141.4168.2-62.8-162.6155.700111.9T936T936-E938 PolarHBondContact OG1-O 3.28Å
939P78.6Confident85.4Confident50 Ų5034.6 Ų34.633%0.32519%0.186SC..  trans-80.7134.5176.129.7-28.3000111.1A933 P943A933-P939 HydrophobicContact CB-CB 3.88Å; A933-P939 HydrophobicContact CB-CG 4.32Å; P939-P943 HydrophobicContact CB-CB 4.46Å; P939-P943 HydrophobicContact CB-CG 4.36Å; P939-P943 HydrophobicContact CG-CB 4.22Å; P939-P943 HydrophobicContact CG-CG 3.8Å
940V83.7Confident85.7Confident20 Ų2030.8 Ų30.812%0.12117%0.169CC..SBendtrans-97.8-34.3-173.8-177.70000111.7D838 I839 E842 K896D838-V940 HydrophobicContact CB-CB 4.21Å; D838-V940 HydrophobicContact CB-CG1 4.13Å; D838-V940 HydrophobicContact CB-CG2 3.8Å; I839-V940 HydrophobicContact CG1-CG1 3.71Å; E842-V940 PolarHBondContact OE2-N 2.8Å; E842-V940 VanDerWaalsContact OE2-N 3.17Å; K896-V940 WeakPolarHBondContact CD-O 3.44Å; K896-V940 WeakPolarHBondContact CE-O 3.41Å; K896-V940 PolarHBondContact NZ-O 3.21Å
941L89.2Confident85.9Confident13 Ų1329.3 Ų29.37%0.06816%0.159CC..SBendtrans-82.9-155.4157.4-63.1-176.3000109.8I839 E842 K896 L899 N900I839-L941 HydrophobicContact CG2-CD2 4.1Å; E842-L941 HydrophobicContact CG-CB 4.44Å; E842-L941 HydrophobicContact CG-CD1 4.16Å; E842-L941 HydrophobicContact CG-CG 4.31Å; E842-L941 PolarHBondContact OE2-N 2.93Å; K896-L941 HydrophobicContact CG-CD2 4.34Å; L899-L941 HydrophobicContact CB-CD1 4.02Å; L899-L941 HydrophobicContact CB-CD2 4.04Å; L899-L941 HydrophobicContact CD1-CD1 4.24Å; N900-L941 VanDerWaalsContact OD1-CA 3.28Å; N900-L941 WeakPolarHBondContact OD1-CA 3.39Å; N900-L941 WeakPolarHBondContact OD1-CB 3.37Å
942C87.1Confident86Confident24 Ų2424.8 Ų24.816%0.16214%0.136CC..SBendtrans-75.6144.1170.159.20000111.1N900 V903 R907 V944N900-C942 PolarHBondContact OD1-N 3.34Å; V903-C942 WeakPolarHBondContact CG1-SG 3.43Å; R907-C942 PolarHBondContact NH1-SG 3.18Å; R907-C942 VanDerWaalsContact NH1-SG 3.36Å; C942-V944 PolarHBondContact O-N 2.98Å
943P86.9Confident86.3Confident55 Ų5524.1 Ų24.136%0.35713%0.132SC..  trans-55.1140.9175.3-17.525.9000111.6R907 L931 P939R907-P943 PolarHBondContact NH2-O 3.38Å; L931-P943 HydrophobicContact CB-CB 4.32Å; L931-P943 HydrophobicContact CD1-CB 4.49Å; L931-P943 HydrophobicContact CD2-CB 4.19Å; P939-P943 HydrophobicContact CB-CB 4.46Å; P939-P943 HydrophobicContact CB-CG 4.36Å; P939-P943 HydrophobicContact CG-CB 4.22Å; P939-P943 HydrophobicContact CG-CG 3.8Å
944V89.8Confident86.5Confident3 Ų323.9 Ų23.92%0.01813%0.13CC..EExtended strand (participates in β ladder)trans-115.6150.3-177.9-61.40000111.8L931 I932 P934 C942 E948L931-V944 CarbonylContact C-O 3.57Å; L931-V944 WeakPolarHBondContact CA-O 3.5Å; I932-V944 HydrophobicContact CG1-CG2 4.07Å; I932-V944 WeakPolarHBondContact CG1-O 3.49Å; I932-V944 PolarHBondContact N-O 3.2Å; I932-V944 PolarHBondContact O-N 3.44Å; P934-V944 HydrophobicContact CB-CG2 4.31Å; P934-V944 HydrophobicContact CG-CG2 3.99Å; C942-V944 PolarHBondContact O-N 2.98Å; V944-E948 VanDerWaalsContact CA-OE2 3.29Å; V944-E948 WeakPolarHBondContact CA-OE2 3.39Å; V944-E948 WeakPolarHBondContact CB-OE2 3.49Å
945Y89.3Confident87.1Confident44 Ų4423.5 Ų23.517%0.17313%0.128CC..EExtended strand (participates in β ladder)trans-75.1153.8177.3-59.5-77.2000111.5R119 L926 I927 E928 K929 C930 L931 L947 E948R119-Y945 PolarHBondContact NH1-O 3.08Å; L926-Y945 HydrophobicContact CD1-CD2 3.95Å; L926-Y945 HydrophobicContact CD1-CE2 4.44Å; I927-Y945 VanDerWaalsContact O-CB 3.26Å; I927-Y945 WeakPolarHBondContact O-CB 3.48Å; E928-Y945 HydrophobicContact CB-CD1 4.37Å; E928-Y945 HydrophobicContact CB-CD2 4.45Å; E928-Y945 HydrophobicContact CB-CE1 3.83Å; E928-Y945 HydrophobicContact CB-CE2 3.94Å; E928-Y945 HydrophobicContact CG-CD2 4.36Å; E928-Y945 HydrophobicContact CG-CE2 3.78Å; E928-Y945 PolarHBondContact OE1-OH 3.47Å; K929-Y945 VanDerWaalsContact N-CD1 3.26Å; C930-Y945 CarbonylContact O-C 3.59Å; C930-Y945 WeakPolarHBondContact O-CA 3.47Å; L931-Y945 HydrophobicContact CD2-CD1 3.43Å; L931-Y945 VanDerWaalsContact CD2-CD1 3.43Å; L931-Y945 HydrophobicContact CD2-CD2 4.24Å; L931-Y945 HydrophobicContact CD2-CE1 3.39Å; L931-Y945 HydrophobicContact CD2-CE2 4.19Å; L931-Y945 HydrophobicContact CD2-CG 3.88Å; L931-Y945 HydrophobicContact CG-CD1 3.92Å; L931-Y945 HydrophobicContact CG-CE1 3.77Å; Y945-L947 PolarHBondContact O-N 3.27Å; Y945-E948 WeakPolarHBondContact CD2-OE2 3.38Å; Y945-E948 PolarHBondContact N-OE2 2.91Å; Y945-E948 WeakPolarHBondContact O-CB 3.49Å; Y945-E948 PolarHBondContact O-N 3.33Å
946L87.7Confident87.7Confident4 Ų423.5 Ų23.52%0.02113%0.128CC..THydrogen-bonded Turntrans-54-32.3-173.8-179.863.4000113.7R119 W120 Y123 I133 K929 C930 I932R119-L946 WeakPolarHBondContact CD-O 3.44Å; R119-L946 HydrophobicContact CG-CD1 4.1Å; W120-L946 HydrophobicContact CE3-CD2 4.07Å; W120-L946 HydrophobicContact CZ3-CD2 3.94Å; Y123-L946 HydrophobicContact CD2-CD1 4.37Å; Y123-L946 HydrophobicContact CG-CD1 4.44Å; I133-L946 HydrophobicContact CD1-CD2 4.05Å; I133-L946 HydrophobicContact CG2-CD2 4.32Å; K929-L946 PolarHBondContact O-N 3.39Å; C930-L946 HydrophobicContact CB-CB 4.13Å; C930-L946 PolarHBondContact O-N 3.43Å; I932-L946 HydrophobicContact CD1-CD1 4.36Å; I932-L946 HydrophobicContact CG2-CD1 4.3Å
947L89.4Confident88.2Confident9 Ų923.3 Ų23.35%0.04713%0.127CC..THydrogen-bonded Turntrans-107.511.8-179.4-56.3-179.8000113.8H116 I133 E136 Y137 I927 Y945H116-L947 PolarHBondContact CE1-O 3.31Å; I133-L947 HydrophobicContact CG2-CD1 3.89Å; I133-L947 HydrophobicContact CG2-CG 4.36Å; E136-L947 HydrophobicContact CB-CD1 4.39Å; Y137-L947 HydrophobicContact CD2-CD2 3.9Å; I927-L947 HydrophobicContact CD1-CB 4.33Å; I927-L947 HydrophobicContact CD1-CD1 3.78Å; Y945-L947 PolarHBondContact O-N 3.27Å
948E90.5Very high88.6Confident6 Ų620.4 Ų20.43%0.02811%0.112CC..  trans-93.1130.7-174.9178.4178.2-13900113.4R119 R907 L926 V944 Y945 H950R119-E948 PolarHBondContact NH1-O 3.13Å; R907-E948 IonicContact CZ-OE1 3.66Å; R907-E948 IonicContact CZ-OE2 3.83Å; R907-E948 IonicContact NE-OE1 2.77Å; R907-E948 PolarHBondContact NE-OE1 2.89Å; R907-E948 IonicContact NE-OE2 3.2Å; R907-E948 VanDerWaalsContact NH2-CD 3.35Å; R907-E948 IonicContact NH2-OE1 2.71Å; R907-E948 PolarHBondContact NH2-OE1 3.38Å; R907-E948 IonicContact NH2-OE2 3.19Å; R907-E948 PolarHBondContact NH2-OE2 2.72Å; L926-E948 HydrophobicContact CD1-CB 4.2Å; L926-E948 HydrophobicContact CD1-CG 3.83Å; L926-E948 WeakPolarHBondContact CD1-OE1 3.44Å; V944-E948 VanDerWaalsContact CA-OE2 3.29Å; V944-E948 WeakPolarHBondContact CA-OE2 3.39Å; V944-E948 WeakPolarHBondContact CB-OE2 3.49Å; Y945-E948 WeakPolarHBondContact CD2-OE2 3.38Å; Y945-E948 PolarHBondContact N-OE2 2.91Å; Y945-E948 WeakPolarHBondContact O-CB 3.49Å; Y945-E948 PolarHBondContact O-N 3.33Å; E948-H950 VanDerWaalsContact CD-NE2 3.25Å; E948-H950 WeakPolarHBondContact CG-NE2 3.26Å; E948-H950 IonicContact OE1-CE1 3.34Å; E948-H950 PolarHBondContact OE1-CE1 2.88Å; E948-H950 IonicContact OE1-NE2 2.71Å; E948-H950 PolarHBondContact OE1-NE2 2.91Å; E948-H950 IonicContact OE2-NE2 3.66Å
949F90.2Very high89.3Confident18 Ų1813.9 Ų13.98%0.0798%0.081CC..  trans-134144.1174.5-71.9-95.7000110.3L112 H116 N845 P951L112-F949 HydrophobicContact CD1-CB 4.19Å; L112-F949 HydrophobicContact CD1-CD1 4.19Å; L112-F949 HydrophobicContact CD1-CD2 3.73Å; L112-F949 HydrophobicContact CD1-CE2 4.15Å; L112-F949 HydrophobicContact CD1-CG 3.77Å; H116-F949 AromaticContact CE1-CD2 3.83Å; H116-F949 AromaticContact CE1-CE2 3.62Å; H116-F949 AromaticContact ND1-CE2 3.7Å; H116-F949 AromaticContact NE2-CD2 3.93Å; H116-F949 AromaticContact NE2-CE2 3.91Å; N845-F949 WeakPolarHBondContact O-CE1 3.23Å; F949-P951 WeakPolarHBondContact O-CD 3.26Å
950H89.9Confident90Very high0 Ų011.8 Ų11.80%07%0.067CC..  trans-120.187.7-177.1-63.9-57.5000110.5H846 V903 E906 E948 S952 L953H846-H950 HydrophobicContact CB-CB 4.48Å; V903-H950 WeakPolarHBondContact CG1-NE2 3.41Å; E906-H950 IonicContact OE1-ND1 3.36Å; E906-H950 IonicContact OE2-CG 2.77Å; E906-H950 IonicContact OE2-ND1 2.77Å; E948-H950 VanDerWaalsContact CD-NE2 3.25Å; E948-H950 WeakPolarHBondContact CG-NE2 3.26Å; E948-H950 IonicContact OE1-CE1 3.34Å; E948-H950 PolarHBondContact OE1-CE1 2.88Å; E948-H950 IonicContact OE1-NE2 2.71Å; E948-H950 PolarHBondContact OE1-NE2 2.91Å; E948-H950 IonicContact OE2-NE2 3.66Å; H950-S952 PolarHBondContact O-N 3.42Å; H950-S952 VanDerWaalsContact O-N 3.17Å; H950-L953 HydrophobicContact CB-CD1 3.85Å; H950-L953 HydrophobicContact CB-CG 3.91Å; H950-L953 WeakPolarHBondContact O-CB 3.37Å; H950-L953 PolarHBondContact O-N 3.04Å
951P86.8Confident90.4Very high26 Ų2613.6 Ų13.617%0.1698%0.075CC..G310 helixtrans-57.2-30.4179.5-22.632.9000112.6I848 E906 F949 L953 A954I848-P951 HydrophobicContact CD1-CB 4.47Å; I848-P951 HydrophobicContact CD1-CG 3.87Å; E906-P951 WeakPolarHBondContact OE1-CD 3.46Å; F949-P951 WeakPolarHBondContact O-CD 3.26Å; P951-L953 PolarHBondContact O-N 2.76Å; P951-L953 VanDerWaalsContact O-N 3.1Å; P951-A954 WeakPolarHBondContact O-CB 3.38Å; P951-A954 PolarHBondContact O-N 3.49Å
952S88.5Confident90.5Very high4 Ų413 Ų133%0.0287%0.071CC..G310 helixtrans-62.8-18.8-178.379.30000114Q902 E906 H950 A954 C955Q902-S952 VanDerWaalsContact NE2-CB 3.3Å; Q902-S952 PolarHBondContact NE2-OG 3.38Å; E906-S952 VanDerWaalsContact OE2-CB 3.29Å; E906-S952 WeakPolarHBondContact OE2-CB 3.47Å; E906-S952 PolarHBondContact OE2-OG 2.84Å; H950-S952 PolarHBondContact O-N 3.42Å; H950-S952 VanDerWaalsContact O-N 3.17Å; S952-A954 PolarHBondContact O-N 2.75Å; S952-A954 VanDerWaalsContact O-N 3.1Å; S952-C955 WeakPolarHBondContact O-CB 3.35Å; S952-C955 PolarHBondContact O-N 2.64Å; S952-C955 VanDerWaalsContact O-N 3.14Å; S952-C955 PolarHBondContact O-SG 3.42Å
953L91.9Very high90.8Very high0 Ų012 Ų120%06%0.064CC..G310 helixtrans-65.1-7.7171.3-62.7179.1000113.1H846 L899 Q902 V903 H950 P951 C955 T956H846-L953 HydrophobicContact CB-CD1 3.81Å; L899-L953 HydrophobicContact CB-CD2 4.15Å; L899-L953 HydrophobicContact CD2-CD2 3.87Å; L899-L953 HydrophobicContact CG-CD2 4.37Å; Q902-L953 HydrophobicContact CG-CD2 4.32Å; V903-L953 HydrophobicContact CG2-CD1 4.08Å; V903-L953 HydrophobicContact CG2-CD2 4.06Å; V903-L953 HydrophobicContact CG2-CG 4.39Å; H950-L953 HydrophobicContact CB-CD1 3.85Å; H950-L953 HydrophobicContact CB-CG 3.91Å; H950-L953 WeakPolarHBondContact O-CB 3.37Å; H950-L953 PolarHBondContact O-N 3.04Å; P951-L953 PolarHBondContact O-N 2.76Å; P951-L953 VanDerWaalsContact O-N 3.1Å; L953-C955 PolarHBondContact O-N 2.9Å; L953-C955 VanDerWaalsContact O-N 3.08Å; L953-T956 VanDerWaalsContact O-CB 3.29Å; L953-T956 WeakPolarHBondContact O-CB 3.45Å; L953-T956 PolarHBondContact O-N 2.64Å; L953-T956 PolarHBondContact O-OG1 2.96Å
954A90.6Very high91Very high5 Ų512.1 Ų12.14%0.0416%0.062CC..G310 helixtrans-56.8-14.7165.300000114I847 P951 S952 T956 P957 E1603I847-A954 HydrophobicContact CG2-CB 4.23Å; P951-A954 WeakPolarHBondContact O-CB 3.38Å; P951-A954 PolarHBondContact O-N 3.49Å; S952-A954 PolarHBondContact O-N 2.75Å; S952-A954 VanDerWaalsContact O-N 3.1Å; A954-T956 VanDerWaalsContact C-N 3.28Å; A954-T956 PolarHBondContact O-N 2.77Å; A954-P957 VanDerWaalsContact O-CD 3.31Å; A954-P957 WeakPolarHBondContact O-CD 3.48Å; A954-E1603 WeakPolarHBondContact CB-OE1 3.4Å
955C92.5Very high91Very high0 Ų012.2 Ų12.20%06%0.062CC..G310 helixtrans-70.2-16.8170.2690000114.8L195 V198 S952 L953 S958 L959 I1602L195-C955 HydrophobicContact CD2-CB 4.01Å; V198-C955 HydrophobicContact CB-CB 4.25Å; V198-C955 HydrophobicContact CG1-CB 3.74Å; V198-C955 HydrophobicContact CG2-CB 4.32Å; S952-C955 WeakPolarHBondContact O-CB 3.35Å; S952-C955 PolarHBondContact O-N 2.64Å; S952-C955 VanDerWaalsContact O-N 3.14Å; S952-C955 PolarHBondContact O-SG 3.42Å; L953-C955 PolarHBondContact O-N 2.9Å; L953-C955 VanDerWaalsContact O-N 3.08Å; C955-S958 WeakPolarHBondContact O-CB 3.4Å; C955-S958 PolarHBondContact O-N 3.48Å; C955-L959 PolarHBondContact O-N 2.9Å; C955-L959 VanDerWaalsContact O-N 3.16Å; C955-I1602 HydrophobicContact CB-CD1 3.75Å
956T94.7Very high91.1Very high0 Ų010.1 Ų10.10%05%0.054CC..Hα-helixtrans-53.1-43.9-173.2-58.30000113.6Y840 A843 L856 M895 L899 L953 A954 S958 L959 I960Y840-T956 HydrophobicContact CD1-CG2 4.42Å; A843-T956 HydrophobicContact CB-CG2 4.37Å; L856-T956 HydrophobicContact CD1-CG2 3.84Å; L856-T956 HydrophobicContact CD2-CG2 4.35Å; M895-T956 HydrophobicContact CE-CG2 3.92Å; L899-T956 HydrophobicContact CD1-CG2 4.42Å; L953-T956 VanDerWaalsContact O-CB 3.29Å; L953-T956 WeakPolarHBondContact O-CB 3.45Å; L953-T956 PolarHBondContact O-N 2.64Å; L953-T956 PolarHBondContact O-OG1 2.96Å; A954-T956 VanDerWaalsContact C-N 3.28Å; A954-T956 PolarHBondContact O-N 2.77Å; T956-S958 PolarHBondContact O-N 3.4Å; T956-L959 PolarHBondContact O-N 2.87Å; T956-I960 HydrophobicContact CG2-CD1 4.12Å; T956-I960 WeakPolarHBondContact O-CG1 3.47Å; T956-I960 PolarHBondContact O-N 2.92Å
957P93.1Very high91.3Very high2 Ų210.4 Ų10.41%0.0136%0.056CC..Hα-helixtrans-63.6-41176.7-23.436.3000113.6K855 L856 M859 A954 L959 I960 E961K855-P957 HydrophobicContact CB-CB 3.84Å; K855-P957 HydrophobicContact CB-CG 3.93Å; K855-P957 HydrophobicContact CD-CB 4.38Å; L856-P957 HydrophobicContact CB-CG 3.92Å; L856-P957 HydrophobicContact CD1-CG 4.45Å; M859-P957 HydrophobicContact CE-CB 3.93Å; M859-P957 WeakPolarHBondContact CE-O 3.37Å; M859-P957 VanDerWaalsContact SD-CA 3.55Å; M859-P957 HydrophobicContact SD-CB 3.7Å; A954-P957 VanDerWaalsContact O-CD 3.31Å; A954-P957 WeakPolarHBondContact O-CD 3.48Å; P957-L959 VanDerWaalsContact C-N 3.31Å; P957-L959 PolarHBondContact O-N 3.34Å; P957-I960 PolarHBondContact O-N 3.03Å; P957-E961 WeakPolarHBondContact O-CB 3.49Å; P957-E961 PolarHBondContact O-N 3.17Å
958S91.4Very high91.2Very high7 Ų712.7 Ų12.75%0.0496%0.064CC..Hα-helixtrans-63.8-36.2179.2-71.20000112.5C955 T956 S962 V1599 I1602C955-S958 WeakPolarHBondContact O-CB 3.4Å; C955-S958 PolarHBondContact O-N 3.48Å; T956-S958 PolarHBondContact O-N 3.4Å; S958-S962 VanDerWaalsContact O-CB 3.23Å; S958-S962 WeakPolarHBondContact O-CB 3.3Å; S958-S962 PolarHBondContact O-N 2.94Å; S958-V1599 WeakPolarHBondContact CB-O 3.47Å; S958-V1599 PolarHBondContact OG-O 2.73Å; S958-I1602 WeakPolarHBondContact OG-CG1 3.47Å
959L93.4Very high91.1Very high1 Ų113.4 Ų13.41%0.0057%0.068CC..Hα-helixtrans-62.8-45.7173.5-81.5167.7000111.8V198 I201 M895 I898 L899 C955 T956 P957 S962 M963V198-L959 HydrophobicContact CG1-CD1 3.75Å; V198-L959 HydrophobicContact CG1-CD2 3.84Å; V198-L959 HydrophobicContact CG1-CG 3.64Å; I201-L959 HydrophobicContact CG2-CD2 3.94Å; M895-L959 HydrophobicContact CE-CB 4.29Å; M895-L959 HydrophobicContact CE-CD1 4.09Å; M895-L959 HydrophobicContact SD-CB 4.22Å; M895-L959 HydrophobicContact SD-CD1 4.49Å; I898-L959 HydrophobicContact CD1-CD2 4.33Å; I898-L959 HydrophobicContact CG2-CD1 3.73Å; L899-L959 HydrophobicContact CD2-CD1 4.34Å; C955-L959 PolarHBondContact O-N 2.9Å; C955-L959 VanDerWaalsContact O-N 3.16Å; T956-L959 PolarHBondContact O-N 2.87Å; P957-L959 VanDerWaalsContact C-N 3.31Å; P957-L959 PolarHBondContact O-N 3.34Å; L959-S962 PolarHBondContact O-N 3.41Å; L959-M963 WeakPolarHBondContact O-CG 3.3Å; L959-M963 PolarHBondContact O-N 3.35Å
960I93.8Very high91Very high7 Ų712.7 Ų12.74%0.0367%0.066CC..Hα-helixtrans-62.9-50178.1-63.2164.3000110.2Y840 L856 M859 T956 P957 S962 M963 D964Y840-I960 HydrophobicContact CD1-CD1 4.35Å; Y840-I960 HydrophobicContact CE1-CD1 3.71Å; Y840-I960 HydrophobicContact CE1-CG1 4.32Å; Y840-I960 HydrophobicContact CE2-CD1 4.03Å; L856-I960 HydrophobicContact CD1-CD1 4.11Å; M859-I960 HydrophobicContact CB-CD1 4.45Å; M859-I960 HydrophobicContact CG-CG2 4.45Å; M859-I960 HydrophobicContact SD-CB 3.85Å; M859-I960 HydrophobicContact SD-CD1 3.94Å; M859-I960 HydrophobicContact SD-CG2 3.88Å; T956-I960 HydrophobicContact CG2-CD1 4.12Å; T956-I960 WeakPolarHBondContact O-CG1 3.47Å; T956-I960 PolarHBondContact O-N 2.92Å; P957-I960 PolarHBondContact O-N 3.03Å; I960-S962 VanDerWaalsContact C-N 3.32Å; I960-S962 PolarHBondContact O-N 2.84Å; I960-M963 PolarHBondContact O-N 3.03Å; I960-D964 PolarHBondContact O-N 2.97Å
961E91.3Very high90.8Very high58 Ų5814.1 Ų14.127%0.2717%0.073SC..Hα-helixtrans-59.1-40.5178.9-174166.8-16400112.1M859 P957 D964 E965 V1599M859-E961 HydrophobicContact CE-CB 4.08Å; P957-E961 WeakPolarHBondContact O-CB 3.49Å; P957-E961 PolarHBondContact O-N 3.17Å; E961-D964 PolarHBondContact O-N 2.92Å; E961-E965 VanDerWaalsContact O-CB 3.29Å; E961-E965 WeakPolarHBondContact O-CB 3.35Å; E961-E965 PolarHBondContact O-N 2.89Å; E961-V1599 HydrophobicContact CB-CG1 4.27Å; E961-V1599 HydrophobicContact CG-CG1 4.14Å
962S91.8Very high90.6Very high0 Ų015.3 Ų15.30%08%0.08CC..Hα-helixtrans-64.4-43.5175.5-167.70000112.5V205 S958 L959 I960 S966 Y1633V205-S962 WeakPolarHBondContact CG1-O 3.3Å; V205-S962 WeakPolarHBondContact CG1-OG 3.49Å; S958-S962 VanDerWaalsContact O-CB 3.23Å; S958-S962 WeakPolarHBondContact O-CB 3.3Å; S958-S962 PolarHBondContact O-N 2.94Å; L959-S962 PolarHBondContact O-N 3.41Å; I960-S962 VanDerWaalsContact C-N 3.32Å; I960-S962 PolarHBondContact O-N 2.84Å; S962-S966 WeakPolarHBondContact O-CB 3.37Å; S962-S966 PolarHBondContact O-N 3.27Å; S962-S966 VanDerWaalsContact O-N 3.08Å; S962-S966 PolarHBondContact O-OG 3.19Å; S962-Y1633 WeakPolarHBondContact CA-OH 3.34Å; S962-Y1633 PolarHBondContact O-OH 2.82Å; S962-Y1633 PolarHBondContact OG-OH 3.33Å
963M93.7Very high90.3Very high2 Ų217.6 Ų17.61%0.019%0.091CC..Hα-helixtrans-63.7-44.8176.4-69.2176.6-162.900111.5V205 I894 M895 I898 L959 I960 S966 V967 F990 L993V205-M963 HydrophobicContact CG1-CG 4.33Å; I894-M963 HydrophobicContact CG2-CE 3.68Å; I894-M963 HydrophobicContact CG2-SD 4.35Å; M895-M963 HydrophobicContact SD-CE 3.89Å; I898-M963 HydrophobicContact CD1-CE 3.85Å; L959-M963 WeakPolarHBondContact O-CG 3.3Å; L959-M963 PolarHBondContact O-N 3.35Å; I960-M963 PolarHBondContact O-N 3.03Å; M963-S966 PolarHBondContact O-N 3.04Å; M963-V967 WeakPolarHBondContact O-CG2 3.34Å; M963-V967 PolarHBondContact O-N 2.94Å; M963-F990 HydrophobicContact CB-CE1 4.29Å; M963-F990 HydrophobicContact CB-CZ 4.44Å; M963-F990 HydrophobicContact CG-CE1 4.49Å; M963-F990 HydrophobicContact SD-CE1 4.19Å; M963-L993 HydrophobicContact CG-CD2 4.32Å
964D91.7Very high89.8Confident58 Ų5819 Ų1931%0.3110%0.098SC..Hα-helixtrans-72-33-177.5-70.2-35.1000113.1R891 I960 E961 R968R891-D964 IonicContact CZ-OD1 2.72Å; R891-D964 VanDerWaalsContact CZ-OD1 3.24Å; R891-D964 IonicContact NH1-OD1 3.45Å; R891-D964 PolarHBondContact NH1-OD1 3.47Å; R891-D964 VanDerWaalsContact NH2-CG 3.31Å; R891-D964 IonicContact NH2-OD1 3.71Å; R891-D964 PolarHBondContact NH2-OD1 3Å; R891-D964 IonicContact NH2-OD2 3.5Å; R891-D964 PolarHBondContact NH2-OD2 3.12Å; I960-D964 PolarHBondContact O-N 2.97Å; E961-D964 PolarHBondContact O-N 2.92Å; D964-R968 VanDerWaalsContact O-CB 3.22Å; D964-R968 WeakPolarHBondContact O-CB 2.88Å; D964-R968 PolarHBondContact O-N 2.84Å; D964-R968 VanDerWaalsContact O-N 3.11Å
965E89Confident89.2Confident6 Ų622.1 Ų22.13%0.02812%0.117CC..Hα-helixtrans-63.2-39.9168.4-177.763.8-121.200112E961 R968 T969 P1632 Y1633 S1638E961-E965 VanDerWaalsContact O-CB 3.29Å; E961-E965 WeakPolarHBondContact O-CB 3.35Å; E961-E965 PolarHBondContact O-N 2.89Å; E965-R968 VanDerWaalsContact CD-NH2 3.34Å; E965-R968 IonicContact OE1-CZ 2.65Å; E965-R968 IonicContact OE1-NH1 2.78Å; E965-R968 PolarHBondContact OE1-NH1 2.83Å; E965-R968 IonicContact OE1-NH2 3.86Å; E965-R968 IonicContact OE2-CZ 2.75Å; E965-R968 IonicContact OE2-NH1 3.98Å; E965-R968 PolarHBondContact OE2-NH1 3.09Å; E965-R968 IonicContact OE2-NH2 3.49Å; E965-R968 PolarHBondContact OE2-NH2 3.13Å; E965-T969 WeakPolarHBondContact O-CB 3.39Å; E965-T969 PolarHBondContact O-N 3.43Å; E965-T969 PolarHBondContact O-OG1 2.89Å; E965-P1632 HydrophobicContact CG-CG 4.18Å; E965-P1632 WeakPolarHBondContact OE2-CG 3.44Å; E965-Y1633 HydrophobicContact CB-CE2 4Å; E965-Y1633 HydrophobicContact CG-CD2 3.61Å; E965-Y1633 HydrophobicContact CG-CE2 3.35Å; E965-S1638 WeakPolarHBondContact OE1-CB 3.36Å; E965-S1638 PolarHBondContact OE1-OG 2.99Å
966S91.3Very high88.7Confident0 Ų022.7 Ų22.70%012%0.121CC..Hα-helixtrans-75.4-39.6-179.1-66.80000113.3V205 P209 S962 M963 T969 T970 Y1633V205-S966 WeakPolarHBondContact CG1-OG 3.46Å; V205-S966 PolarHBondContact O-OG 3.39Å; P209-S966 WeakPolarHBondContact CG-O 3.2Å; S962-S966 WeakPolarHBondContact O-CB 3.37Å; S962-S966 PolarHBondContact O-N 3.27Å; S962-S966 VanDerWaalsContact O-N 3.08Å; S962-S966 PolarHBondContact O-OG 3.19Å; M963-S966 PolarHBondContact O-N 3.04Å; S966-T969 PolarHBondContact O-N 3.22Å; S966-T970 WeakPolarHBondContact O-CB 3.43Å; S966-T970 PolarHBondContact O-N 3.46Å; S966-T970 PolarHBondContact O-OG1 2.94Å; S966-Y1633 PolarHBondContact OG-OH 3.21Å
967V91.9Very high87.9Confident9 Ų931 Ų316%0.05516%0.157CC..Hα-helixtrans-58.4-48.6169.9167.50000110.3M963 T969 T970 I971 E986 F989 F990M963-V967 WeakPolarHBondContact O-CG2 3.34Å; M963-V967 PolarHBondContact O-N 2.94Å; V967-T969 PolarHBondContact O-N 2.79Å; V967-T970 WeakPolarHBondContact O-CB 3.46Å; V967-T970 PolarHBondContact O-N 3.27Å; V967-T970 VanDerWaalsContact O-N 3.17Å; V967-I971 HydrophobicContact CG1-CD1 3.84Å; V967-I971 WeakPolarHBondContact O-CG1 3.47Å; V967-I971 PolarHBondContact O-N 2.77Å; V967-E986 HydrophobicContact CG1-CB 4.17Å; V967-E986 HydrophobicContact CG1-CG 3.75Å; V967-E986 HydrophobicContact CG2-CG 4.23Å; V967-F989 HydrophobicContact CG2-CD1 3.49Å; V967-F989 VanDerWaalsContact CG2-CD1 3.49Å; V967-F989 HydrophobicContact CG2-CD2 4.5Å; V967-F989 HydrophobicContact CG2-CE1 3.53Å; V967-F989 HydrophobicContact CG2-CG 4.02Å; V967-F989 HydrophobicContact CG2-CZ 4.08Å; V967-F990 HydrophobicContact CG2-CE2 3.75Å; V967-F990 HydrophobicContact CG2-CZ 3.78Å
968R88.1Confident87.2Confident57 Ų5737 Ų3722%0.21518%0.179CC..Hα-helixtrans-62.6-41.1178.1168.716339.185.93.1112.8D964 E965 T970 I971 T972 S1638D964-R968 VanDerWaalsContact O-CB 3.22Å; D964-R968 WeakPolarHBondContact O-CB 2.88Å; D964-R968 PolarHBondContact O-N 2.84Å; D964-R968 VanDerWaalsContact O-N 3.11Å; E965-R968 VanDerWaalsContact CD-NH2 3.34Å; E965-R968 IonicContact OE1-CZ 2.65Å; E965-R968 IonicContact OE1-NH1 2.78Å; E965-R968 PolarHBondContact OE1-NH1 2.83Å; E965-R968 IonicContact OE1-NH2 3.86Å; E965-R968 IonicContact OE2-CZ 2.75Å; E965-R968 IonicContact OE2-NH1 3.98Å; E965-R968 PolarHBondContact OE2-NH1 3.09Å; E965-R968 IonicContact OE2-NH2 3.49Å; E965-R968 PolarHBondContact OE2-NH2 3.13Å; R968-T970 VanDerWaalsContact C-N 3.33Å; R968-I971 PolarHBondContact O-N 2.77Å; R968-T972 WeakPolarHBondContact O-CB 3.07Å; R968-T972 PolarHBondContact O-N 2.78Å; R968-T972 PolarHBondContact O-OG1 3.06Å; R968-S1638 PolarHBondContact NH1-OG 2.77Å
969T87Confident86.9Confident21 Ų2137.6 Ų37.613%0.12918%0.181CC..Hα-helixtrans-60-44.9173.1-65.50000110.7P209 E965 S966 V967 T972 M973P209-T969 HydrophobicContact CB-CG2 4.04Å; P209-T969 HydrophobicContact CG-CG2 4.11Å; E965-T969 WeakPolarHBondContact O-CB 3.39Å; E965-T969 PolarHBondContact O-N 3.43Å; E965-T969 PolarHBondContact O-OG1 2.89Å; S966-T969 PolarHBondContact O-N 3.22Å; V967-T969 PolarHBondContact O-N 2.79Å; T969-T972 PolarHBondContact O-N 2.84Å; T969-M973 WeakPolarHBondContact O-CB 3.36Å; T969-M973 PolarHBondContact O-N 3.19Å
970T88.4Confident86.6Confident3 Ų338.3 Ų38.32%0.01819%0.185CC..Hα-helixtrans-60.4-48.6176.9-53.40000112.4P209 L216 S966 V967 R968 T972 M973 L974 L985 F989P209-T970 WeakPolarHBondContact CB-OG1 3.3Å; P209-T970 WeakPolarHBondContact CG-OG1 3.39Å; L216-T970 HydrophobicContact CD1-CG2 3.85Å; S966-T970 WeakPolarHBondContact O-CB 3.43Å; S966-T970 PolarHBondContact O-N 3.46Å; S966-T970 PolarHBondContact O-OG1 2.94Å; V967-T970 WeakPolarHBondContact O-CB 3.46Å; V967-T970 PolarHBondContact O-N 3.27Å; V967-T970 VanDerWaalsContact O-N 3.17Å; R968-T970 VanDerWaalsContact C-N 3.33Å; T970-T972 VanDerWaalsContact C-N 3.3Å; T970-T972 PolarHBondContact O-N 2.74Å; T970-M973 PolarHBondContact O-N 2.77Å; T970-L974 HydrophobicContact CG2-CD1 4.28Å; T970-L974 PolarHBondContact O-N 3.26Å; T970-L974 VanDerWaalsContact O-N 3.13Å; T970-L985 HydrophobicContact CG2-CD1 3.99Å; T970-L985 HydrophobicContact CG2-CD2 4.26Å; T970-L985 HydrophobicContact CG2-CG 4.15Å; T970-F989 HydrophobicContact CG2-CD2 4.44Å; T970-F989 WeakPolarHBondContact OG1-CD2 3.31Å
971I86.8Confident86.3Confident30 Ų3039.7 Ų39.715%0.15419%0.191CC..Hα-helixtrans-60.1-41.8176.8-69.4168.2000110.7V967 R968 L974 T975 P976 R982 L985V967-I971 HydrophobicContact CG1-CD1 3.84Å; V967-I971 WeakPolarHBondContact O-CG1 3.47Å; V967-I971 PolarHBondContact O-N 2.77Å; R968-I971 PolarHBondContact O-N 2.77Å; I971-L974 PolarHBondContact O-N 2.81Å; I971-T975 PolarHBondContact O-N 2.75Å; I971-P976 HydrophobicContact CG2-CG 4.13Å; I971-P976 VanDerWaalsContact O-CD 3.29Å; I971-P976 WeakPolarHBondContact O-CD 3.36Å; I971-R982 HydrophobicContact CG2-CG 4.24Å; I971-L985 HydrophobicContact CG1-CD2 4.17Å
972T82.7Confident86.2Confident52 Ų5241.7 Ų41.732%0.31920%0.196SC..Hα-helixtrans-71.9-30-179.8-47.60000112.4R968 T969 T970 K1641R968-T972 WeakPolarHBondContact O-CB 3.07Å; R968-T972 PolarHBondContact O-N 2.78Å; R968-T972 PolarHBondContact O-OG1 3.06Å; T969-T972 PolarHBondContact O-N 2.84Å; T970-T972 VanDerWaalsContact C-N 3.3Å; T970-T972 PolarHBondContact O-N 2.74Å; T972-K1641 HydrophobicContact CG2-CB 3.97Å; T972-K1641 HydrophobicContact CG2-CD 3.54Å; T972-K1641 HydrophobicContact CG2-CG 4.37Å
973M80.7Confident86.2Confident52 Ų5241.7 Ų41.726%0.25620%0.196SC..Hα-helixtrans-75-28177.6-166.6-173.2-157.100113.3Y210 R213 T969 T970 F1199Y210-M973 HydrophobicContact CD1-CE 3.63Å; Y210-M973 HydrophobicContact CD1-SD 4.46Å; Y210-M973 HydrophobicContact CE1-CE 3.9Å; R213-M973 HydrophobicContact CB-CE 4.47Å; R213-M973 HydrophobicContact CB-SD 4.2Å; R213-M973 HydrophobicContact CG-CE 4.07Å; R213-M973 HydrophobicContact CG-SD 3.87Å; T969-M973 WeakPolarHBondContact O-CB 3.36Å; T969-M973 PolarHBondContact O-N 3.19Å; T970-M973 PolarHBondContact O-N 2.77Å; M973-F1199 HydrophobicContact CE-CB 4.23Å; M973-F1199 HydrophobicContact CE-CD1 3.7Å; M973-F1199 HydrophobicContact CE-CE1 4.18Å; M973-F1199 HydrophobicContact CE-CG 3.92Å
974L82Confident86.1Confident30 Ų3042.2 Ų42.216%0.15720%0.199CC..Hα-helixtrans-108.3-11-175.8-64.8177.5000114.4R213 L216 K217 T970 I971 L985R213-L974 HydrophobicContact CG-CD2 4.32Å; L216-L974 HydrophobicContact CB-CD1 4.22Å; K217-L974 HydrophobicContact CB-CD2 4.03Å; K217-L974 HydrophobicContact CD-CD2 4.2Å; K217-L974 HydrophobicContact CG-CD2 4.27Å; T970-L974 HydrophobicContact CG2-CD1 4.28Å; T970-L974 PolarHBondContact O-N 3.26Å; T970-L974 VanDerWaalsContact O-N 3.13Å; I971-L974 PolarHBondContact O-N 2.81Å; L974-L985 HydrophobicContact CB-CD2 4.06Å; L974-L985 HydrophobicContact CD1-CD1 3.68Å; L974-L985 HydrophobicContact CD1-CD2 3.95Å; L974-L985 HydrophobicContact CD1-CG 4.48Å
975T78.6Confident86.1Confident70 Ų7039.5 Ų39.543%0.42918%0.184SC..  trans47.752.6172.356.20000115.9I971 K977 I1334I971-T975 PolarHBondContact O-N 2.75Å; T975-K977 PolarHBondContact O-N 3.47Å; T975-I1334 HydrophobicContact CG2-CD1 4.14Å
976P81.9Confident86.3Confident12 Ų1239.7 Ų39.78%0.07819%0.185CC..  trans-60.2135.3175.627-35.9000111.8I971 Q981 R982 L985I971-P976 HydrophobicContact CG2-CG 4.13Å; I971-P976 VanDerWaalsContact O-CD 3.29Å; I971-P976 WeakPolarHBondContact O-CD 3.36Å; P976-Q981 HydrophobicContact CB-CB 3.69Å; P976-R982 HydrophobicContact CB-CG 4.03Å; P976-R982 HydrophobicContact CG-CB 4.41Å; P976-R982 HydrophobicContact CG-CG 3.38Å; P976-L985 HydrophobicContact CG-CD2 4.39Å
977K77.1Confident86.5Confident174 Ų17441.8 Ų41.876%0.75719%0.194SC*.SBendtrans-89-35.6-171.1-63.7-163176.2-160.60113.7T975 Q981 E1337T975-K977 PolarHBondContact O-N 3.47Å; K977-Q981 VanDerWaalsContact N-OE1 3.13Å; K977-E1337 IonicContact NZ-OE2 2.7Å
978R79.2Confident86.6Confident129 Ų12941.9 Ų41.949%0.48720%0.195SC..SBendtrans-92.1158.4172.5-70.1-166.3-176.8178.32.3111.5E874 I980 Q981E874-R978 WeakPolarHBondContact OE1-CD 3.18Å; E874-R978 IonicContact OE1-CZ 2.82Å; E874-R978 IonicContact OE1-NE 3.49Å; E874-R978 IonicContact OE1-NH1 2.66Å; E874-R978 PolarHBondContact OE1-NH1 2.65Å; E874-R978 IonicContact OE2-NH1 3.39Å; R978-I980 HydrophobicContact CB-CG2 3.99Å; R978-Q981 HydrophobicContact CB-CG 4.17Å; R978-Q981 VanDerWaalsContact N-OE1 3.14Å; R978-Q981 PolarHBondContact O-N 2.71Å
979Q84.5Confident86.9Confident18 Ų1839.2 Ų39.28%0.08419%0.185CC..Hα-helixtrans-71.2-37.5176.2-172.870.8-7.800110.5R869 D871 Q981 R982 I983R869-Q979 HydrophobicContact CB-CG 4.38Å; D871-Q979 HydrophobicContact CB-CB 4.12Å; D871-Q979 WeakPolarHBondContact OD2-CA 3.42Å; D871-Q979 WeakPolarHBondContact OD2-CB 3.33Å; D871-Q979 PolarHBondContact OD2-N 3.32Å; Q979-Q981 VanDerWaalsContact C-N 3.27Å; Q979-Q981 PolarHBondContact O-N 3.4Å; Q979-R982 WeakPolarHBondContact O-CB 3.32Å; Q979-R982 PolarHBondContact O-N 3.43Å; Q979-I983 PolarHBondContact O-N 3.37Å
980I87.7Confident87.4Confident16 Ų1638.2 Ų38.28%0.08218%0.178CC..Hα-helixtrans-58.3-37.3175.7-169.759.8000112.7D871 E874 A880 Y883 R978 R982 I983 I984D871-I980 HydrophobicContact CB-CB 4.25Å; D871-I980 PolarHBondContact OD2-N 3.27Å; E874-I980 HydrophobicContact CG-CB 4.4Å; E874-I980 HydrophobicContact CG-CG2 4.24Å; E874-I980 WeakPolarHBondContact OE1-CG2 3.45Å; A880-I980 HydrophobicContact CB-CD1 4.04Å; Y883-I980 HydrophobicContact CD2-CD1 4.16Å; R978-I980 HydrophobicContact CB-CG2 3.99Å; I980-R982 VanDerWaalsContact C-N 3.26Å; I980-R982 PolarHBondContact O-N 3.04Å; I980-I983 HydrophobicContact CD1-CD1 4.31Å; I980-I983 PolarHBondContact O-N 3.04Å; I980-I984 HydrophobicContact CG1-CD1 4.09Å; I980-I984 WeakPolarHBondContact O-CG1 3.21Å; I980-I984 PolarHBondContact O-N 3.49Å
981Q87.3Confident87.6Confident37 Ų3741.1 Ų41.117%0.17319%0.194CC..Hα-helixtrans-65.3-26.4177.8-70.2175.7-26.900113.1N224 P976 K977 R978 Q979 L985N224-Q981 PolarHBondContact OD1-NE2 3.26Å; P976-Q981 HydrophobicContact CB-CB 3.69Å; K977-Q981 VanDerWaalsContact N-OE1 3.13Å; R978-Q981 HydrophobicContact CB-CG 4.17Å; R978-Q981 VanDerWaalsContact N-OE1 3.14Å; R978-Q981 PolarHBondContact O-N 2.71Å; Q979-Q981 VanDerWaalsContact C-N 3.27Å; Q979-Q981 PolarHBondContact O-N 3.4Å; Q981-L985 VanDerWaalsContact O-CB 3.31Å; Q981-L985 WeakPolarHBondContact O-CB 3.32Å; Q981-L985 PolarHBondContact O-N 3.24Å; Q981-L985 VanDerWaalsContact O-N 3.12Å
982R89.7Confident87.9Confident99 Ų9942.7 Ų42.737%0.37420%0.198SC..Hα-helixtrans-72.5-41174.6-68.7164172.9-158.9-8.4111.5I971 P976 Q979 I980 L985 E986I971-R982 HydrophobicContact CG2-CG 4.24Å; P976-R982 HydrophobicContact CB-CG 4.03Å; P976-R982 HydrophobicContact CG-CB 4.41Å; P976-R982 HydrophobicContact CG-CG 3.38Å; Q979-R982 WeakPolarHBondContact O-CB 3.32Å; Q979-R982 PolarHBondContact O-N 3.43Å; I980-R982 VanDerWaalsContact C-N 3.26Å; I980-R982 PolarHBondContact O-N 3.04Å; R982-L985 PolarHBondContact O-N 3.04Å; R982-E986 PolarHBondContact O-N 3.49Å
983I91.3Very high88.4Confident0 Ų040.2 Ų40.20%018%0.183CC..Hα-helixtrans-66.5-46178.5-50.4169000109.6R869 A880 E884 I887 Q979 I980 L985 E986 K987R869-I983 HydrophobicContact CB-CD1 3.81Å; R869-I983 HydrophobicContact CB-CG1 4.17Å; R869-I983 WeakPolarHBondContact O-CD1 3.38Å; A880-I983 HydrophobicContact CB-CD1 4.28Å; E884-I983 HydrophobicContact CG-CG2 4Å; I887-I983 HydrophobicContact CD1-CG2 3.78Å; Q979-I983 PolarHBondContact O-N 3.37Å; I980-I983 HydrophobicContact CD1-CD1 4.31Å; I980-I983 PolarHBondContact O-N 3.04Å; I983-L985 VanDerWaalsContact C-N 3.34Å; I983-L985 PolarHBondContact O-N 2.99Å; I983-E986 PolarHBondContact O-N 3.24Å; I983-K987 WeakPolarHBondContact O-CB 3.28Å; I983-K987 PolarHBondContact O-N 3.47Å
984I91.1Very high89Confident14 Ų1441.3 Ų41.37%0.07219%0.186CC..Hα-helixtrans-56.3-48174.4-68.9168.1000110.9L220 E223 Y883 I980 E986 K987 L988L220-I984 HydrophobicContact CD1-CB 4.3Å; L220-I984 HydrophobicContact CD1-CG2 3.76Å; E223-I984 WeakPolarHBondContact OE2-CG2 3.36Å; Y883-I984 HydrophobicContact CD2-CG1 3.88Å; Y883-I984 HydrophobicContact CE2-CD1 3.97Å; Y883-I984 HydrophobicContact CE2-CG1 3.54Å; Y883-I984 HydrophobicContact CG-CG1 4.5Å; I980-I984 HydrophobicContact CG1-CD1 4.09Å; I980-I984 WeakPolarHBondContact O-CG1 3.21Å; I980-I984 PolarHBondContact O-N 3.49Å; I984-E986 PolarHBondContact O-N 2.97Å; I984-K987 PolarHBondContact O-N 3.02Å; I984-L988 HydrophobicContact CG2-CD1 4.27Å; I984-L988 WeakPolarHBondContact O-CG 3.26Å; I984-L988 PolarHBondContact O-N 2.9Å
985L91.3Very high89.4Confident1 Ų144 Ų441%0.00520%0.201CC..Hα-helixtrans-63.4-37.8179.7179.658.3000113.2L216 T970 I971 L974 P976 Q981 R982 I983 F989L216-L985 HydrophobicContact CB-CD1 4.16Å; L216-L985 HydrophobicContact CD2-CD1 4.27Å; T970-L985 HydrophobicContact CG2-CD1 3.99Å; T970-L985 HydrophobicContact CG2-CD2 4.26Å; T970-L985 HydrophobicContact CG2-CG 4.15Å; I971-L985 HydrophobicContact CG1-CD2 4.17Å; L974-L985 HydrophobicContact CB-CD2 4.06Å; L974-L985 HydrophobicContact CD1-CD1 3.68Å; L974-L985 HydrophobicContact CD1-CD2 3.95Å; L974-L985 HydrophobicContact CD1-CG 4.48Å; P976-L985 HydrophobicContact CG-CD2 4.39Å; Q981-L985 VanDerWaalsContact O-CB 3.31Å; Q981-L985 WeakPolarHBondContact O-CB 3.32Å; Q981-L985 PolarHBondContact O-N 3.24Å; Q981-L985 VanDerWaalsContact O-N 3.12Å; R982-L985 PolarHBondContact O-N 3.04Å; I983-L985 VanDerWaalsContact C-N 3.34Å; I983-L985 PolarHBondContact O-N 2.99Å; L985-F989 WeakPolarHBondContact O-CB 3.49Å; L985-F989 PolarHBondContact O-N 2.93Å
986E94.6Very high89.9Confident10 Ų1043.3 Ų43.35%0.04719%0.193CC..Hα-helixtrans-67.5-41.2174.2-176.9177.2168.100112R869 I887 R891 V967 R982 I983 I984 L988 F989 F990R869-E986 IonicContact CZ-OE2 3.95Å; R869-E986 IonicContact NH1-OE2 3.81Å; R869-E986 PolarHBondContact NH1-OE2 3.28Å; R869-E986 IonicContact NH2-OE1 3.03Å; R869-E986 IonicContact NH2-OE2 2.84Å; R869-E986 PolarHBondContact NH2-OE2 3.24Å; I887-E986 HydrophobicContact CD1-CB 3.9Å; I887-E986 HydrophobicContact CD1-CG 3.84Å; I887-E986 HydrophobicContact CG1-CB 4.49Å; I887-E986 HydrophobicContact CG1-CG 4.15Å; I887-E986 HydrophobicContact CG2-CG 4.17Å; I887-E986 WeakPolarHBondContact CG2-OE1 3.37Å; R891-E986 IonicContact NH1-OE1 2.82Å; V967-E986 HydrophobicContact CG1-CB 4.17Å; V967-E986 HydrophobicContact CG1-CG 3.75Å; V967-E986 HydrophobicContact CG2-CG 4.23Å; R982-E986 PolarHBondContact O-N 3.49Å; I983-E986 PolarHBondContact O-N 3.24Å; I984-E986 PolarHBondContact O-N 2.97Å; E986-L988 PolarHBondContact O-N 2.78Å; E986-F989 WeakPolarHBondContact O-CB 3.31Å; E986-F989 PolarHBondContact O-N 3.04Å; E986-F990 HydrophobicContact CG-CD2 3.85Å; E986-F990 HydrophobicContact CG-CE2 3.67Å; E986-F990 VanDerWaalsContact O-CD2 3.29Å; E986-F990 WeakPolarHBondContact O-CD2 3.21Å; E986-F990 PolarHBondContact O-N 3.44Å; E986-F990 VanDerWaalsContact O-N 3.08Å
987K94.7Very high90.2Very high43 Ų4343.3 Ų43.319%0.18719%0.192CC..Hα-helixtrans-59.8-44.1174179.9-87.4-175.6-168.50111.5Y883 A886 I887 Q890 I983 I984 F990 D991Y883-K987 HydrophobicContact CD1-CD 4.36Å; Y883-K987 HydrophobicContact CD1-CG 4.13Å; A886-K987 HydrophobicContact CB-CG 4.05Å; I887-K987 HydrophobicContact CD1-CB 4.27Å; I887-K987 HydrophobicContact CG1-CB 3.85Å; Q890-K987 PolarHBondContact NE2-O 2.87Å; Q890-K987 VanDerWaalsContact NE2-O 3.15Å; Q890-K987 PolarHBondContact OE1-O 2.93Å; I983-K987 WeakPolarHBondContact O-CB 3.28Å; I983-K987 PolarHBondContact O-N 3.47Å; I984-K987 PolarHBondContact O-N 3.02Å; K987-F990 PolarHBondContact O-N 3.1Å; K987-D991 WeakPolarHBondContact CD-OD2 3.4Å; K987-D991 WeakPolarHBondContact CE-OD2 3.39Å; K987-D991 IonicContact NZ-OD2 3.63Å; K987-D991 PolarHBondContact NZ-OD2 3.3Å; K987-D991 PolarHBondContact O-N 3.41Å
988L93.4Very high90.6Very high12 Ų1239.6 Ų39.66%0.06318%0.181CC..Hα-helixtrans-65.2-40.4176.2-71.2174.6000112.1L216 L220 E223 I984 E986 F990 D991 Y992L216-L988 HydrophobicContact CD2-CB 3.73Å; L220-L988 HydrophobicContact CB-CD1 4.3Å; E223-L988 WeakPolarHBondContact OE2-CD1 3.33Å; I984-L988 HydrophobicContact CG2-CD1 4.27Å; I984-L988 WeakPolarHBondContact O-CG 3.26Å; I984-L988 PolarHBondContact O-N 2.9Å; E986-L988 PolarHBondContact O-N 2.78Å; L988-F990 VanDerWaalsContact C-N 3.34Å; L988-F990 PolarHBondContact O-N 2.96Å; L988-D991 PolarHBondContact O-N 3.18Å; L988-Y992 WeakPolarHBondContact O-CD2 3.37Å; L988-Y992 PolarHBondContact O-N 3.31Å
989F95.8Very high90.9Very high1 Ų137.4 Ų37.40%0.00418%0.182CC..Hα-helixtrans-56.5-48.3175.2173.8-81.3000111F208 P209 V967 T970 L985 E986 Y992 L993F208-F989 AromaticContact CD1-CD2 3.73Å; F208-F989 HydrophobicContact CD1-CD2 3.73Å; F208-F989 AromaticContact CD1-CE2 3.4Å; F208-F989 HydrophobicContact CD1-CE2 3.4Å; F208-F989 AromaticContact CD1-CZ 3.98Å; F208-F989 HydrophobicContact CD1-CZ 3.98Å; F208-F989 AromaticContact CE1-CD2 3.78Å; F208-F989 HydrophobicContact CE1-CD2 3.78Å; F208-F989 AromaticContact CE1-CE2 3.9Å; F208-F989 HydrophobicContact CE1-CE2 3.9Å; F208-F989 HydrophobicContact CE1-CG 4.24Å; F208-F989 HydrophobicContact CE1-CZ 4.44Å; F208-F989 HydrophobicContact CG-CE2 4.34Å; P209-F989 HydrophobicContact CG-CE2 4.42Å; V967-F989 HydrophobicContact CG2-CD1 3.49Å; V967-F989 VanDerWaalsContact CG2-CD1 3.49Å; V967-F989 HydrophobicContact CG2-CD2 4.5Å; V967-F989 HydrophobicContact CG2-CE1 3.53Å; V967-F989 HydrophobicContact CG2-CG 4.02Å; V967-F989 HydrophobicContact CG2-CZ 4.08Å; T970-F989 HydrophobicContact CG2-CD2 4.44Å; T970-F989 WeakPolarHBondContact OG1-CD2 3.31Å; L985-F989 WeakPolarHBondContact O-CB 3.49Å; L985-F989 PolarHBondContact O-N 2.93Å; E986-F989 WeakPolarHBondContact O-CB 3.31Å; E986-F989 PolarHBondContact O-N 3.04Å; F989-Y992 PolarHBondContact O-N 3.04Å; F989-L993 HydrophobicContact CE1-CD2 3.79Å; F989-L993 HydrophobicContact CZ-CD2 4.39Å; F989-L993 VanDerWaalsContact O-CB 3.29Å; F989-L993 WeakPolarHBondContact O-CB 3.37Å; F989-L993 PolarHBondContact O-N 2.83Å
990F96.2Very high90.7Very high0 Ų039.4 Ų39.40%019%0.188CC..Hα-helixtrans-73-29.2-179.1-76.3-63.9000114.1I887 Q890 R891 I894 M963 V967 E986 K987 L988 L993 K994I887-F990 HydrophobicContact CG2-CD2 3.96Å; I887-F990 HydrophobicContact CG2-CE2 4.03Å; Q890-F990 HydrophobicContact CB-CB 3.76Å; Q890-F990 HydrophobicContact CG-CB 4.33Å; Q890-F990 VanDerWaalsContact OE1-CB 3.32Å; R891-F990 HydrophobicContact CG-CD1 3.94Å; R891-F990 HydrophobicContact CG-CD2 4.18Å; R891-F990 HydrophobicContact CG-CE1 3.62Å; R891-F990 HydrophobicContact CG-CE2 3.86Å; R891-F990 HydrophobicContact CG-CG 4.23Å; R891-F990 HydrophobicContact CG-CZ 3.58Å; I894-F990 HydrophobicContact CD1-CD1 3.91Å; M963-F990 HydrophobicContact CB-CE1 4.29Å; M963-F990 HydrophobicContact CB-CZ 4.44Å; M963-F990 HydrophobicContact CG-CE1 4.49Å; M963-F990 HydrophobicContact SD-CE1 4.19Å; V967-F990 HydrophobicContact CG2-CE2 3.75Å; V967-F990 HydrophobicContact CG2-CZ 3.78Å; E986-F990 HydrophobicContact CG-CD2 3.85Å; E986-F990 HydrophobicContact CG-CE2 3.67Å; E986-F990 VanDerWaalsContact O-CD2 3.29Å; E986-F990 WeakPolarHBondContact O-CD2 3.21Å; E986-F990 PolarHBondContact O-N 3.44Å; E986-F990 VanDerWaalsContact O-N 3.08Å; K987-F990 PolarHBondContact O-N 3.1Å; L988-F990 VanDerWaalsContact C-N 3.34Å; L988-F990 PolarHBondContact O-N 2.96Å; F990-L993 HydrophobicContact CD1-CD2 4.1Å; F990-L993 HydrophobicContact CE1-CD2 4.22Å; F990-K994 WeakPolarHBondContact O-CB 3.45Å; F990-K994 PolarHBondContact O-N 3.41Å
991D92.7Very high90.2Very high64 Ų6446.5 Ų46.534%0.34221%0.214SC..Hα-helixtrans-60-53.1169.4-84.8-36.3000111.7Q890 K987 L988 L993 K994 N995Q890-D991 PolarHBondContact NE2-OD1 2.84Å; Q890-D991 PolarHBondContact NE2-OD2 2.91Å; K987-D991 WeakPolarHBondContact CD-OD2 3.4Å; K987-D991 WeakPolarHBondContact CE-OD2 3.39Å; K987-D991 IonicContact NZ-OD2 3.63Å; K987-D991 PolarHBondContact NZ-OD2 3.3Å; K987-D991 PolarHBondContact O-N 3.41Å; L988-D991 PolarHBondContact O-N 3.18Å; D991-L993 VanDerWaalsContact C-N 3.34Å; D991-L993 PolarHBondContact O-N 3.48Å; D991-K994 PolarHBondContact O-N 2.7Å; D991-N995 PolarHBondContact O-N 3.41Å
992Y92.6Very high89.7Confident62 Ų6249.2 Ų49.224%0.24324%0.235CC..Hα-helixtrans-66.4-36.4179.6-71.4-62.7000111.7Y212 L216 S219 L988 F989 N995 E996Y212-Y992 HydrophobicContact CD1-CD1 4.06Å; Y212-Y992 HydrophobicContact CD1-CD2 4.35Å; Y212-Y992 AromaticContact CD1-CG 3.87Å; Y212-Y992 HydrophobicContact CD1-CG 3.87Å; Y212-Y992 AromaticContact CE1-CD1 3.88Å; Y212-Y992 HydrophobicContact CE1-CD1 3.88Å; Y212-Y992 HydrophobicContact CE1-CG 4.07Å; L216-Y992 HydrophobicContact CD2-CD2 3.73Å; L216-Y992 HydrophobicContact CD2-CE2 4Å; L216-Y992 HydrophobicContact CG-CD2 4.3Å; L216-Y992 HydrophobicContact CG-CE2 4.48Å; S219-Y992 PolarHBondContact OG-OH 2.91Å; L988-Y992 WeakPolarHBondContact O-CD2 3.37Å; L988-Y992 PolarHBondContact O-N 3.31Å; F989-Y992 PolarHBondContact O-N 3.04Å; Y992-N995 PolarHBondContact O-N 3.48Å; Y992-E996 PolarHBondContact O-N 2.98Å
993L93.7Very high89.2Confident0 Ų046.7 Ų46.70%023%0.229CC..Hα-helixtrans-65.8-39.9178.3179.259.5000111.6M204 V205 F208 I894 M963 F989 F990 D991 E996 I997M204-L993 HydrophobicContact CE-CD1 3.69Å; M204-L993 HydrophobicContact SD-CD1 3.87Å; V205-L993 HydrophobicContact CG2-CD1 4.01Å; F208-L993 HydrophobicContact CD2-CD1 4.02Å; F208-L993 HydrophobicContact CE1-CB 4.42Å; F208-L993 HydrophobicContact CE2-CB 4.04Å; F208-L993 HydrophobicContact CE2-CD1 4.04Å; F208-L993 HydrophobicContact CZ-CB 3.87Å; F208-L993 VanDerWaalsContact CZ-N 3.31Å; I894-L993 HydrophobicContact CD1-CB 4.41Å; I894-L993 HydrophobicContact CD1-CD2 4.31Å; I894-L993 HydrophobicContact CD1-CG 4.21Å; M963-L993 HydrophobicContact CG-CD2 4.32Å; F989-L993 HydrophobicContact CE1-CD2 3.79Å; F989-L993 HydrophobicContact CZ-CD2 4.39Å; F989-L993 VanDerWaalsContact O-CB 3.29Å; F989-L993 WeakPolarHBondContact O-CB 3.37Å; F989-L993 PolarHBondContact O-N 2.83Å; F990-L993 HydrophobicContact CD1-CD2 4.1Å; F990-L993 HydrophobicContact CE1-CD2 4.22Å; D991-L993 VanDerWaalsContact C-N 3.34Å; D991-L993 PolarHBondContact O-N 3.48Å; L993-E996 PolarHBondContact O-N 2.89Å; L993-I997 HydrophobicContact CD1-CD1 3.99Å; L993-I997 HydrophobicContact CD1-CG1 4.4Å; L993-I997 HydrophobicContact CG-CD1 4.01Å; L993-I997 WeakPolarHBondContact O-CG1 3.31Å; L993-I997 PolarHBondContact O-N 3.15Å; L993-I997 VanDerWaalsContact O-N 3.15Å
994K92.9Very high88.7Confident75 Ų7546.7 Ų46.733%0.32623%0.229SC..Hα-helixtrans-58.7-48.3172.6-180174174.8177.10111I894 F990 D991 E996 I997 D998I894-K994 HydrophobicContact CD1-CB 4.04Å; I894-K994 HydrophobicContact CG1-CB 3.94Å; I894-K994 HydrophobicContact CG1-CG 4.37Å; F990-K994 WeakPolarHBondContact O-CB 3.45Å; F990-K994 PolarHBondContact O-N 3.41Å; D991-K994 PolarHBondContact O-N 2.7Å; K994-E996 VanDerWaalsContact C-N 3.31Å; K994-E996 PolarHBondContact O-N 3.37Å; K994-I997 PolarHBondContact O-N 3.49Å; K994-I997 VanDerWaalsContact O-N 3.13Å; K994-D998 WeakPolarHBondContact CE-OD2 3.36Å; K994-D998 WeakPolarHBondContact CG-OD2 3.48Å; K994-D998 WeakPolarHBondContact O-CB 3.33Å; K994-D998 PolarHBondContact O-N 3.32Å
995N90.4Very high88.4Confident87 Ų8749.2 Ų49.247%0.46525%0.245SC..Hα-helixtrans-60.8-36.9179.6178.388.9000113.1D991 Y992 T999D991-N995 PolarHBondContact O-N 3.41Å; Y992-N995 PolarHBondContact O-N 3.48Å; N995-T999 WeakPolarHBondContact O-CB 3.33Å; N995-T999 WeakPolarHBondContact O-CG2 3.47Å; N995-T999 PolarHBondContact O-N 2.96Å; N995-T999 PolarHBondContact O-OG1 3.4Å
996E89.2Confident88.2Confident56 Ų5650.5 Ų50.526%0.26225%0.254SS..Hα-helixtrans-66.4-36.5175.5-162.772-149.400112.1M204 F208 Y212 Y992 L993 K994 W1000M204-E996 HydrophobicContact CE-CB 4.3Å; M204-E996 HydrophobicContact CE-CG 3.96Å; M204-E996 HydrophobicContact CG-CG 4.39Å; M204-E996 HydrophobicContact SD-CG 4.08Å; F208-E996 HydrophobicContact CE2-CB 4.36Å; Y212-E996 WeakPolarHBondContact CE2-OE2 3.4Å; Y212-E996 PolarHBondContact OH-OE2 2.94Å; Y992-E996 PolarHBondContact O-N 2.98Å; L993-E996 PolarHBondContact O-N 2.89Å; K994-E996 VanDerWaalsContact C-N 3.31Å; K994-E996 PolarHBondContact O-N 3.37Å; E996-W1000 PolarHBondContact O-N 3.37Å
997I89.2Confident88Confident11 Ų1150.3 Ų50.36%0.05625%0.253CS..Hα-helixtrans-75.7-40.8177.9-67.1168000111.4M204 I894 I898 L993 K994 T999 W1000M204-I997 HydrophobicContact CE-CG1 3.95Å; I894-I997 HydrophobicContact CG1-CD1 4.44Å; I894-I997 HydrophobicContact CG2-CD1 3.7Å; I898-I997 HydrophobicContact CD1-CD1 4.14Å; I898-I997 HydrophobicContact CG1-CG2 4.48Å; L993-I997 HydrophobicContact CD1-CD1 3.99Å; L993-I997 HydrophobicContact CD1-CG1 4.4Å; L993-I997 HydrophobicContact CG-CD1 4.01Å; L993-I997 WeakPolarHBondContact O-CG1 3.31Å; L993-I997 PolarHBondContact O-N 3.15Å; L993-I997 VanDerWaalsContact O-N 3.15Å; K994-I997 PolarHBondContact O-N 3.49Å; K994-I997 VanDerWaalsContact O-N 3.13Å; I997-T999 PolarHBondContact O-N 2.95Å; I997-W1000 VanDerWaalsContact O-CB 3.31Å; I997-W1000 WeakPolarHBondContact O-CB 3.35Å; I997-W1000 PolarHBondContact O-N 3.32Å
998D85.8Confident87.8Confident97 Ų9750.5 Ų50.552%0.51926%0.257SS..Hα-helixtrans-68.4-15.4176.6-69.6-11.6000112.4K994K994-D998 WeakPolarHBondContact CE-OD2 3.36Å; K994-D998 WeakPolarHBondContact CG-OD2 3.48Å; K994-D998 WeakPolarHBondContact O-CB 3.33Å; K994-D998 PolarHBondContact O-N 3.32Å
999T84.8Confident87.5Confident83 Ų8352.6 Ų52.651%0.50928%0.276SS..THydrogen-bonded Turntrans-113.917.1177.459.80000114.3N995 I997N995-T999 WeakPolarHBondContact O-CB 3.33Å; N995-T999 WeakPolarHBondContact O-CG2 3.47Å; N995-T999 PolarHBondContact O-N 2.96Å; N995-T999 PolarHBondContact O-OG1 3.4Å; I997-T999 PolarHBondContact O-N 2.95Å
1000W79.6Confident87.1Confident60 Ų6057.6 Ų57.623%0.22730%0.3CS..  trans-56.7147.2-174.7-165.6-102.8000114.2Q200 I201 M204 E996 I997 W1076Q200-W1000 HydrophobicContact CB-CZ2 3.92Å; I201-W1000 HydrophobicContact CG1-CH2 4.07Å; I201-W1000 HydrophobicContact CG1-CZ2 3.92Å; M204-W1000 HydrophobicContact CB-CH2 3.76Å; M204-W1000 HydrophobicContact CB-CZ3 3.86Å; M204-W1000 HydrophobicContact CE-CE3 4.24Å; M204-W1000 HydrophobicContact CE-CH2 4.35Å; M204-W1000 HydrophobicContact CE-CZ3 3.53Å; M204-W1000 HydrophobicContact CG-CH2 4.3Å; M204-W1000 HydrophobicContact CG-CZ3 3.88Å; E996-W1000 PolarHBondContact O-N 3.37Å; I997-W1000 VanDerWaalsContact O-CB 3.31Å; I997-W1000 WeakPolarHBondContact O-CB 3.35Å; I997-W1000 PolarHBondContact O-N 3.32Å; W1000-W1076 AromaticContact CH2-CZ2 3.75Å; W1000-W1076 HydrophobicContact CH2-CZ2 3.75Å; W1000-W1076 AromaticContact CZ2-CZ2 3.79Å; W1000-W1076 HydrophobicContact CZ2-CZ2 3.79Å
1001R78.2Confident86.7Confident164 Ų16458.2 Ų58.262%0.61930%0.303SS*.  trans-119.6152.6-177.6-63.3-172.4-174.7-175.33.1112.4
1002P77Confident86.4Confident94 Ų9458.3 Ų58.361%0.6130%0.302SS*.  trans-60.4145.4174.1-23.634.3000113.6T1005P1002-T1005 HydrophobicContact CB-CG2 4.07Å; P1002-T1005 WeakPolarHBondContact O-CB 3.25Å; P1002-T1005 WeakPolarHBondContact O-CG2 3.11Å; P1002-T1005 PolarHBondContact O-OG1 3.22Å
1003L78.1Confident86.2Confident47 Ų4760.1 Ų60.125%0.24631%0.311CS..THydrogen-bonded Turntrans-56.9144.4177.1-174.461.5000112.3Q200 T1005 F1016 L1072 W1076Q200-L1003 HydrophobicContact CG-CD1 4.13Å; L1003-T1005 PolarHBondContact O-N 2.91Å; L1003-F1016 HydrophobicContact CD1-CD1 4.5Å; L1003-F1016 HydrophobicContact CD1-CE1 4.01Å; L1003-F1016 HydrophobicContact CD2-CD1 3.75Å; L1003-F1016 HydrophobicContact CD2-CE1 3.93Å; L1003-F1016 HydrophobicContact CG-CD1 3.61Å; L1003-F1016 HydrophobicContact CG-CE1 3.61Å; L1003-L1072 HydrophobicContact CD2-CD2 4.41Å; L1003-W1076 HydrophobicContact CD1-CB 3.96Å; L1003-W1076 HydrophobicContact CD1-CD2 3.73Å; L1003-W1076 HydrophobicContact CD1-CE3 3.51Å; L1003-W1076 HydrophobicContact CD1-CG 3.94Å; L1003-W1076 HydrophobicContact CD1-CZ3 4.24Å
1004G81.6Confident85.9Confident0 Ų061.5 Ų61.50%032%0.318CS..THydrogen-bonded Turntrans78.3-1.8173.700000115S1006 Y1007 Q1012G1004-S1006 PolarHBondContact O-N 2.98Å; G1004-S1006 VanDerWaalsContact O-N 3.11Å; G1004-Y1007 PolarHBondContact O-N 3.26Å; G1004-Q1012 WeakPolarHBondContact O-CG 3.37Å; G1004-Q1012 PolarHBondContact O-NE2 3.03Å
1005T84.2Confident85.7Confident67 Ų6757.9 Ų57.941%0.41130%0.302SS..THydrogen-bonded Turntrans-61.3-20.3-175.943.50000114.8P1002 L1003P1002-T1005 HydrophobicContact CB-CG2 4.07Å; P1002-T1005 WeakPolarHBondContact O-CB 3.25Å; P1002-T1005 WeakPolarHBondContact O-CG2 3.11Å; P1002-T1005 PolarHBondContact O-OG1 3.22Å; L1003-T1005 PolarHBondContact O-N 2.91Å
1006S87.7Confident85.6Confident27 Ų2755.1 Ų55.119%0.18929%0.286CS..THydrogen-bonded Turntrans-87.3-9175.4-58.50000114.8G1004 E1079 T1141 L1142G1004-S1006 PolarHBondContact O-N 2.98Å; G1004-S1006 VanDerWaalsContact O-N 3.11Å; S1006-E1079 VanDerWaalsContact CB-CD 3.43Å; S1006-E1079 WeakPolarHBondContact CB-OE1 3.43Å; S1006-E1079 PolarHBondContact OG-OE1 3.43Å; S1006-T1141 CarbonylContact O-C 3.45Å; S1006-T1141 WeakPolarHBondContact O-CA 3.28Å; S1006-T1141 WeakPolarHBondContact O-CB 3.32Å; S1006-L1142 PolarHBondContact O-N 3.44Å
1007Y90.9Very high85.2Confident6 Ų653.4 Ų53.42%0.02428%0.28CS..BIsolated β-bridgetrans-93.1171.1-179.1-69.2-88.7000112.5G1004 I1011 Q1012 F1016 M1075 E1079 L1142G1004-Y1007 PolarHBondContact O-N 3.26Å; Y1007-I1011 HydrophobicContact CD1-CD1 4.44Å; Y1007-I1011 HydrophobicContact CD1-CG2 4.46Å; Y1007-I1011 HydrophobicContact CG-CG2 4.48Å; Y1007-Q1012 PolarHBondContact O-NE2 3.39Å; Y1007-Q1012 VanDerWaalsContact O-NE2 3.12Å; Y1007-F1016 AromaticContact CD2-CE2 3.85Å; Y1007-F1016 HydrophobicContact CD2-CE2 3.85Å; Y1007-F1016 AromaticContact CD2-CZ 3.89Å; Y1007-F1016 HydrophobicContact CD2-CZ 3.89Å; Y1007-F1016 HydrophobicContact CE2-CE2 4.46Å; Y1007-F1016 HydrophobicContact CE2-CZ 4.09Å; Y1007-F1016 HydrophobicContact CG-CE2 4.05Å; Y1007-F1016 HydrophobicContact CG-CZ 4.48Å; Y1007-M1075 HydrophobicContact CD1-CE 3.65Å; Y1007-M1075 HydrophobicContact CD2-CE 4.41Å; Y1007-M1075 HydrophobicContact CE1-CE 3.37Å; Y1007-M1075 HydrophobicContact CE2-CE 4.17Å; Y1007-M1075 HydrophobicContact CG-CE 4.17Å; Y1007-M1075 PolarHBondContact OH-O 3.3Å; Y1007-E1079 HydrophobicContact CE2-CB 4.25Å; Y1007-L1142 HydrophobicContact CD1-CB 3.93Å; Y1007-L1142 WeakPolarHBondContact CD1-O 3.37Å; Y1007-L1142 HydrophobicContact CE1-CB 3.78Å; Y1007-L1142 HydrophobicContact CE2-CD1 4.43Å; Y1007-L1142 HydrophobicContact CG-CB 4.43Å
1008T89.2Confident84.7Confident47 Ų4756 Ų5629%0.28830%0.298SS..  trans-62.6150.2177.571.60000111.9Q1010 I1011 Q1012 T1141T1008-Q1010 PolarHBondContact O-N 2.86Å; T1008-I1011 HydrophobicContact CG2-CD1 4.38Å; T1008-I1011 PolarHBondContact O-N 3.27Å; T1008-I1011 VanDerWaalsContact O-N 3.16Å; T1008-I1011 WeakPolarHBondContact OG1-CG1 3.26Å; T1008-I1011 PolarHBondContact OG1-N 3.45Å; T1008-Q1012 WeakPolarHBondContact O-CG 3.47Å; T1008-Q1012 PolarHBondContact O-N 3.21Å; T1008-T1141 WeakPolarHBondContact CG2-OG1 3.35Å
1009A87.8Confident84.5Confident56 Ų5659.2 Ų59.246%0.46330%0.304SS..THydrogen-bonded Turntrans-62.7-8.7174.800000114.2K1013A1009-K1013 WeakPolarHBondContact O-CD 3.19Å; A1009-K1013 VanDerWaalsContact O-CE 3.26Å; A1009-K1013 WeakPolarHBondContact O-CE 3.45Å; A1009-K1013 VanDerWaalsContact O-CG 3.25Å; A1009-K1013 WeakPolarHBondContact O-CG 3.44Å
1010Q87Confident84.6Confident107 Ų10755.6 Ų55.650%0.528%0.281SS..THydrogen-bonded Turntrans-87.4-50.6171.5-169.661.525.900110.8T1008 Q1012 K1013 D1014T1008-Q1010 PolarHBondContact O-N 2.86Å; Q1010-Q1012 PolarHBondContact O-N 2.86Å; Q1010-K1013 WeakPolarHBondContact O-CA 3.3Å; Q1010-K1013 WeakPolarHBondContact O-CB 3.49Å; Q1010-K1013 PolarHBondContact O-N 3.05Å; Q1010-D1014 WeakPolarHBondContact CG-OD2 3.46Å; Q1010-D1014 PolarHBondContact NE2-OD2 3.31Å; Q1010-D1014 PolarHBondContact O-N 3.49Å
1011I87.8Confident84.9Confident13 Ų1352.9 Ų52.97%0.06727%0.271CS..Hα-helixtrans-58-37.3174.4-64.4167000110.7Y1007 T1008 K1013 D1014 L1015 F1016 M1075 L1144Y1007-I1011 HydrophobicContact CD1-CD1 4.44Å; Y1007-I1011 HydrophobicContact CD1-CG2 4.46Å; Y1007-I1011 HydrophobicContact CG-CG2 4.48Å; T1008-I1011 HydrophobicContact CG2-CD1 4.38Å; T1008-I1011 PolarHBondContact O-N 3.27Å; T1008-I1011 VanDerWaalsContact O-N 3.16Å; T1008-I1011 WeakPolarHBondContact OG1-CG1 3.26Å; T1008-I1011 PolarHBondContact OG1-N 3.45Å; I1011-K1013 VanDerWaalsContact C-N 3.3Å; I1011-K1013 PolarHBondContact O-N 3.06Å; I1011-D1014 PolarHBondContact O-N 3.29Å; I1011-L1015 HydrophobicContact CG2-CB 4.47Å; I1011-L1015 WeakPolarHBondContact O-CB 3.39Å; I1011-L1015 PolarHBondContact O-N 2.96Å; I1011-F1016 HydrophobicContact CG2-CD2 4.12Å; I1011-F1016 HydrophobicContact CG2-CE2 3.84Å; I1011-M1075 HydrophobicContact CG2-CE 3.97Å; I1011-L1144 HydrophobicContact CD1-CB 4.24Å
1012Q87.6Confident85.3Confident66 Ų6646 Ų4631%0.30825%0.246SC..Hα-helixtrans-57.7-38.3171.5-73.2171.90.900113.3G1004 Y1007 T1008 Q1010 F1016 S1017G1004-Q1012 WeakPolarHBondContact O-CG 3.37Å; G1004-Q1012 PolarHBondContact O-NE2 3.03Å; Y1007-Q1012 PolarHBondContact O-NE2 3.39Å; Y1007-Q1012 VanDerWaalsContact O-NE2 3.12Å; T1008-Q1012 WeakPolarHBondContact O-CG 3.47Å; T1008-Q1012 PolarHBondContact O-N 3.21Å; Q1010-Q1012 PolarHBondContact O-N 2.86Å; Q1012-F1016 CarbonylContact O-C 3.52Å; Q1012-S1017 PolarHBondContact O-N 3.48Å
1013K86.9Confident85.8Confident100 Ų10043.9 Ų43.944%0.43523%0.229SC..Hα-helixtrans-81.8-32179.9-70.3167.6-168165.10113.2A1009 Q1010 I1011 S1017 R1160A1009-K1013 WeakPolarHBondContact O-CD 3.19Å; A1009-K1013 VanDerWaalsContact O-CE 3.26Å; A1009-K1013 WeakPolarHBondContact O-CE 3.45Å; A1009-K1013 VanDerWaalsContact O-CG 3.25Å; A1009-K1013 WeakPolarHBondContact O-CG 3.44Å; Q1010-K1013 WeakPolarHBondContact O-CA 3.3Å; Q1010-K1013 WeakPolarHBondContact O-CB 3.49Å; Q1010-K1013 PolarHBondContact O-N 3.05Å; I1011-K1013 VanDerWaalsContact C-N 3.3Å; I1011-K1013 PolarHBondContact O-N 3.06Å; K1013-S1017 WeakPolarHBondContact O-CB 3.21Å; K1013-R1160 WeakPolarHBondContact O-CD 3.34Å
1014D88.6Confident86.2Confident28 Ų2841.7 Ų41.715%0.1522%0.218CC..Hα-helixtrans-91.7-31.4-173.4-72.1-33.6000113.8Q1010 I1011 S1158 F1159Q1010-D1014 WeakPolarHBondContact CG-OD2 3.46Å; Q1010-D1014 PolarHBondContact NE2-OD2 3.31Å; Q1010-D1014 PolarHBondContact O-N 3.49Å; I1011-D1014 PolarHBondContact O-N 3.29Å; D1014-S1158 VanDerWaalsContact OD1-CB 3.27Å; D1014-S1158 WeakPolarHBondContact OD1-CB 3.21Å; D1014-S1158 PolarHBondContact OD1-OG 2.96Å; D1014-F1159 WeakPolarHBondContact O-CB 3.34Å; D1014-F1159 PolarHBondContact O-N 3.42Å
1015L88.9Confident86.3Confident0 Ų044.9 Ų44.90%024%0.237CC..THydrogen-bonded Turntrans-111.8-56.7-178.7-179.660.8000113I1011 S1017 R1068 L1071 L1072 M1075 F1157 F1159I1011-L1015 HydrophobicContact CG2-CB 4.47Å; I1011-L1015 WeakPolarHBondContact O-CB 3.39Å; I1011-L1015 PolarHBondContact O-N 2.96Å; L1015-S1017 VanDerWaalsContact C-N 3.26Å; L1015-S1017 PolarHBondContact O-N 3.31Å; L1015-R1068 HydrophobicContact CD1-CG 3.82Å; L1015-R1068 PolarHBondContact O-NE 3.19Å; L1015-R1068 VanDerWaalsContact O-NE 3.11Å; L1015-R1068 PolarHBondContact O-NH2 2.8Å; L1015-L1071 HydrophobicContact CD1-CD2 4.28Å; L1015-L1071 HydrophobicContact CD2-CD2 4.14Å; L1015-L1071 HydrophobicContact CD2-CG 4.28Å; L1015-L1072 HydrophobicContact CD1-CD2 4.26Å; L1015-L1072 HydrophobicContact CD1-CG 4.32Å; L1015-L1072 HydrophobicContact CD2-CD2 4.16Å; L1015-L1072 HydrophobicContact CG-CD2 3.8Å; L1015-L1072 HydrophobicContact CG-CG 4.38Å; L1015-M1075 HydrophobicContact CD2-CE 3.96Å; L1015-M1075 HydrophobicContact CD2-SD 3.23Å; L1015-M1075 WeakPolarHBondContact CD2-SD 3.27Å; L1015-F1157 HydrophobicContact CB-CE2 4.1Å; L1015-F1157 HydrophobicContact CD1-CE2 4.09Å; L1015-F1157 HydrophobicContact CD2-CE2 4.44Å; L1015-F1157 HydrophobicContact CG-CE2 4.42Å; L1015-F1159 HydrophobicContact CD1-CD2 3.83Å; L1015-F1159 HydrophobicContact CD1-CE2 3.67Å
1016F86.7Confident86.5Confident28 Ų2844.5 Ų44.512%0.12323%0.231CC..SBendtrans-76-13-173.4-64.4-79.3000113.5L1003 Y1007 I1011 Q1012 L1072 M1075L1003-F1016 HydrophobicContact CD1-CD1 4.5Å; L1003-F1016 HydrophobicContact CD1-CE1 4.01Å; L1003-F1016 HydrophobicContact CD2-CD1 3.75Å; L1003-F1016 HydrophobicContact CD2-CE1 3.93Å; L1003-F1016 HydrophobicContact CG-CD1 3.61Å; L1003-F1016 HydrophobicContact CG-CE1 3.61Å; Y1007-F1016 AromaticContact CD2-CE2 3.85Å; Y1007-F1016 HydrophobicContact CD2-CE2 3.85Å; Y1007-F1016 AromaticContact CD2-CZ 3.89Å; Y1007-F1016 HydrophobicContact CD2-CZ 3.89Å; Y1007-F1016 HydrophobicContact CE2-CE2 4.46Å; Y1007-F1016 HydrophobicContact CE2-CZ 4.09Å; Y1007-F1016 HydrophobicContact CG-CE2 4.05Å; Y1007-F1016 HydrophobicContact CG-CZ 4.48Å; I1011-F1016 HydrophobicContact CG2-CD2 4.12Å; I1011-F1016 HydrophobicContact CG2-CE2 3.84Å; Q1012-F1016 CarbonylContact O-C 3.52Å; F1016-L1072 HydrophobicContact CD1-CD2 3.28Å; F1016-L1072 HydrophobicContact CE1-CD2 3.4Å; F1016-L1072 HydrophobicContact CG-CD2 4.09Å; F1016-L1072 HydrophobicContact CZ-CD2 4.28Å; F1016-M1075 HydrophobicContact CE2-CE 3.87Å; F1016-M1075 HydrophobicContact CZ-CE 3.88Å; F1016-M1075 HydrophobicContact CZ-SD 4.48Å
1017S82.5Confident86.6Confident20 Ų2043.2 Ų43.214%0.1422%0.222CC..  trans-64.7126.7174.3179.90000111.4Q1012 K1013 L1015 Y1019 R1068Q1012-S1017 PolarHBondContact O-N 3.48Å; K1013-S1017 WeakPolarHBondContact O-CB 3.21Å; L1015-S1017 VanDerWaalsContact C-N 3.26Å; L1015-S1017 PolarHBondContact O-N 3.31Å; S1017-Y1019 VanDerWaalsContact C-N 3.29Å; S1017-Y1019 PolarHBondContact O-N 2.91Å; S1017-Y1019 PolarHBondContact OG-N 3.13Å; S1017-R1068 PolarHBondContact O-NH2 3.29Å
1018P78.8Confident86.5Confident65 Ų6543.2 Ų43.242%0.42222%0.223SC..  trans-82.1-5.9177.935-37.9000113.3F1020 E1022P1018-F1020 VanDerWaalsContact C-N 3.31Å; P1018-F1020 PolarHBondContact O-N 3.4Å; P1018-E1022 HydrophobicContact CB-CB 4.31Å; P1018-E1022 HydrophobicContact CB-CG 4.45Å; P1018-E1022 WeakPolarHBondContact CB-OE2 3.29Å; P1018-E1022 WeakPolarHBondContact O-CB 3.17Å
1019Y80.3Confident86.5Confident165 Ų16546 Ų4665%0.64723%0.233SC*.THydrogen-bonded Turntrans-61.2-26.3-154.3-170.1-94.5000116.9S1017S1017-Y1019 VanDerWaalsContact C-N 3.29Å; S1017-Y1019 PolarHBondContact O-N 2.91Å; S1017-Y1019 PolarHBondContact OG-N 3.13Å
1020F86.9Confident86.7Confident8 Ų843.4 Ų43.44%0.03521%0.211CC..THydrogen-bonded Turntrans-124.6-58.2-175.9-177.3-86.6000112.5P1018 E1022 D1023 Q1026 M1027 L1030 R1160 K1162 V1165P1018-F1020 VanDerWaalsContact C-N 3.31Å; P1018-F1020 PolarHBondContact O-N 3.4Å; F1020-E1022 VanDerWaalsContact C-N 3.27Å; F1020-E1022 PolarHBondContact O-N 3.29Å; F1020-D1023 WeakPolarHBondContact O-CB 3.5Å; F1020-D1023 PolarHBondContact O-N 3.14Å; F1020-D1023 VanDerWaalsContact O-N 3.1Å; F1020-Q1026 HydrophobicContact CD2-CB 4.28Å; F1020-Q1026 HydrophobicContact CE2-CB 3.98Å; F1020-Q1026 HydrophobicContact CZ-CB 4.45Å; F1020-M1027 HydrophobicContact CD1-SD 4.13Å; F1020-M1027 HydrophobicContact CE1-SD 3.69Å; F1020-L1030 HydrophobicContact CE1-CD2 4.29Å; F1020-L1030 HydrophobicContact CZ-CB 4.48Å; F1020-L1030 HydrophobicContact CZ-CD1 4.35Å; F1020-R1160 WeakPolarHBondContact CB-O 3.28Å; F1020-K1162 HydrophobicContact CD2-CB 4.47Å; F1020-K1162 HydrophobicContact CE2-CB 3.62Å; F1020-K1162 HydrophobicContact CE2-CD 4.45Å; F1020-K1162 HydrophobicContact CE2-CG 4.12Å; F1020-K1162 HydrophobicContact CZ-CB 3.71Å; F1020-K1162 HydrophobicContact CZ-CD 4.47Å; F1020-K1162 HydrophobicContact CZ-CG 3.87Å; F1020-V1165 HydrophobicContact CD1-CB 4.38Å; F1020-V1165 HydrophobicContact CD1-CG2 3.78Å; F1020-V1165 HydrophobicContact CE1-CB 4.02Å; F1020-V1165 HydrophobicContact CE1-CG1 4.13Å; F1020-V1165 HydrophobicContact CE1-CG2 3.93Å
1021I86.8Confident86.9Confident3 Ų338.3 Ų38.32%0.01519%0.187CC..THydrogen-bonded Turntrans-71.2-17.2-174.3-169.5159.9000114.6M1027 L1064 V1065 F1159I1021-M1027 HydrophobicContact CB-SD 4.33Å; I1021-M1027 HydrophobicContact CD1-CE 4.45Å; I1021-M1027 HydrophobicContact CG1-CE 4.02Å; I1021-M1027 HydrophobicContact CG1-SD 4.05Å; I1021-L1064 HydrophobicContact CD1-CG 4.46Å; I1021-V1065 HydrophobicContact CD1-CG2 4.23Å; I1021-V1065 HydrophobicContact CG1-CG2 4.32Å; I1021-F1159 HydrophobicContact CB-CB 4.45Å; I1021-F1159 HydrophobicContact CD1-CD1 3.5Å; I1021-F1159 VanDerWaalsContact CD1-CD1 3.5Å; I1021-F1159 HydrophobicContact CD1-CE1 3.95Å; I1021-F1159 HydrophobicContact CD1-CG 4.5Å; I1021-F1159 HydrophobicContact CG2-CB 3.87Å; I1021-F1159 HydrophobicContact CG2-CD1 4.46Å; I1021-F1159 HydrophobicContact CG2-CG 4.48Å
1022E85.4Confident87.1Confident20 Ų2040.8 Ų40.89%0.09320%0.2CC..THydrogen-bonded Turntrans-97.91.3174.2-56.6177.3-174.500112.3R193 Y909 P1018 F1020 R1068R193-E1022 WeakPolarHBondContact CD-OE2 3.45Å; R193-E1022 IonicContact CZ-OE2 3.46Å; R193-E1022 IonicContact NE-OE2 3.99Å; R193-E1022 IonicContact NH1-OE2 2.79Å; R193-E1022 PolarHBondContact NH1-OE2 2.75Å; Y909-E1022 WeakPolarHBondContact CE2-O 3.34Å; Y909-E1022 PolarHBondContact OH-O 2.69Å; P1018-E1022 HydrophobicContact CB-CB 4.31Å; P1018-E1022 HydrophobicContact CB-CG 4.45Å; P1018-E1022 WeakPolarHBondContact CB-OE2 3.29Å; P1018-E1022 WeakPolarHBondContact O-CB 3.17Å; F1020-E1022 VanDerWaalsContact C-N 3.27Å; F1020-E1022 PolarHBondContact O-N 3.29Å; E1022-R1068 IonicContact OE1-CZ 2.61Å; E1022-R1068 IonicContact OE1-NH1 3.26Å; E1022-R1068 PolarHBondContact OE1-NH1 3.42Å; E1022-R1068 IonicContact OE1-NH2 3.71Å; E1022-R1068 PolarHBondContact OE1-NH2 3.02Å
1023D87.5Confident87.3Confident48 Ų4842.5 Ų42.526%0.25721%0.208SC..  trans-88.3109.1167.9-175.6-39.3000109.2F1020 V1025 Q1026 M1027F1020-D1023 WeakPolarHBondContact O-CB 3.5Å; F1020-D1023 PolarHBondContact O-N 3.14Å; F1020-D1023 VanDerWaalsContact O-N 3.1Å; D1023-V1025 VanDerWaalsContact C-N 3.27Å; D1023-V1025 PolarHBondContact O-N 2.96Å; D1023-V1025 WeakPolarHBondContact OD1-CA 3.24Å; D1023-V1025 WeakPolarHBondContact OD1-CB 3.41Å; D1023-V1025 PolarHBondContact OD1-N 3.42Å; D1023-Q1026 HydrophobicContact CB-CB 4.05Å; D1023-Q1026 HydrophobicContact CB-CG 4.14Å; D1023-Q1026 VanDerWaalsContact CG-NE2 3.33Å; D1023-Q1026 PolarHBondContact OD1-N 3.35Å; D1023-Q1026 PolarHBondContact OD2-NE2 2.9Å; D1023-M1027 WeakPolarHBondContact O-CB 3.16Å; D1023-M1027 WeakPolarHBondContact O-CG 3.44Å; D1023-M1027 PolarHBondContact O-N 3.11Å
1024V87.3Confident87.5Confident1 Ų138 Ų381%0.00619%0.189CC..Hα-helixtrans-65.7-30.2-177-178.20000112.1R186 I189 L913 L922 S1028R186-V1024 HydrophobicContact CB-CG1 3.75Å; R186-V1024 HydrophobicContact CG-CG1 3.63Å; I189-V1024 HydrophobicContact CB-CG2 4.07Å; I189-V1024 HydrophobicContact CG2-CG2 3.72Å; L913-V1024 HydrophobicContact CD2-CB 3.85Å; L913-V1024 HydrophobicContact CD2-CG2 3.76Å; L922-V1024 HydrophobicContact CD2-CB 4.28Å; L922-V1024 HydrophobicContact CD2-CG1 3.9Å; L922-V1024 HydrophobicContact CD2-CG2 4.19Å; V1024-S1028 VanDerWaalsContact O-CB 3.23Å; V1024-S1028 WeakPolarHBondContact O-CB 3.46Å; V1024-S1028 PolarHBondContact O-N 3.43Å; V1024-S1028 PolarHBondContact O-OG 2.97Å
1025V84.4Confident87.5Confident68 Ų6837 Ų3741%0.41218%0.183SC..Hα-helixtrans-73.3-50.8-179.9-175.40000109.4D1023 M1027 S1028 E1029D1023-V1025 VanDerWaalsContact C-N 3.27Å; D1023-V1025 PolarHBondContact O-N 2.96Å; D1023-V1025 WeakPolarHBondContact OD1-CA 3.24Å; D1023-V1025 WeakPolarHBondContact OD1-CB 3.41Å; D1023-V1025 PolarHBondContact OD1-N 3.42Å; V1025-M1027 VanDerWaalsContact C-N 3.3Å; V1025-M1027 PolarHBondContact O-N 3.19Å; V1025-S1028 PolarHBondContact O-N 2.91Å; V1025-S1028 VanDerWaalsContact O-N 3.09Å; V1025-E1029 PolarHBondContact O-N 3.26Å
1026Q87.2Confident87.6Confident58 Ų5841.6 Ų41.627%0.27121%0.207SC..Hα-helixtrans-60.6-38.9177.2-67.2-176.667.100112F1020 D1023 L1030F1020-Q1026 HydrophobicContact CD2-CB 4.28Å; F1020-Q1026 HydrophobicContact CE2-CB 3.98Å; F1020-Q1026 HydrophobicContact CZ-CB 4.45Å; D1023-Q1026 HydrophobicContact CB-CB 4.05Å; D1023-Q1026 HydrophobicContact CB-CG 4.14Å; D1023-Q1026 VanDerWaalsContact CG-NE2 3.33Å; D1023-Q1026 PolarHBondContact OD1-N 3.35Å; D1023-Q1026 PolarHBondContact OD2-NE2 2.9Å; Q1026-L1030 WeakPolarHBondContact O-CB 3.31Å; Q1026-L1030 PolarHBondContact O-N 2.82Å
1027M91.1Very high87.8Confident0 Ų041.8 Ų41.80%021%0.212CC..Hα-helixtrans-71.6-29.8174.9-73-64-66.100113.4I189 F1020 I1021 D1023 V1025 L1030 C1031 L1061 V1065 V1165I189-M1027 HydrophobicContact CD1-CB 3.55Å; I189-M1027 HydrophobicContact CD1-CE 4.41Å; I189-M1027 HydrophobicContact CD1-CG 3.97Å; F1020-M1027 HydrophobicContact CD1-SD 4.13Å; F1020-M1027 HydrophobicContact CE1-SD 3.69Å; I1021-M1027 HydrophobicContact CB-SD 4.33Å; I1021-M1027 HydrophobicContact CD1-CE 4.45Å; I1021-M1027 HydrophobicContact CG1-CE 4.02Å; I1021-M1027 HydrophobicContact CG1-SD 4.05Å; D1023-M1027 WeakPolarHBondContact O-CB 3.16Å; D1023-M1027 WeakPolarHBondContact O-CG 3.44Å; D1023-M1027 PolarHBondContact O-N 3.11Å; V1025-M1027 VanDerWaalsContact C-N 3.3Å; V1025-M1027 PolarHBondContact O-N 3.19Å; M1027-L1030 HydrophobicContact CE-CD2 3.87Å; M1027-L1030 HydrophobicContact SD-CD2 3.66Å; M1027-C1031 VanDerWaalsContact O-CB 3.28Å; M1027-C1031 WeakPolarHBondContact O-CB 3.48Å; M1027-C1031 PolarHBondContact O-N 3.03Å; M1027-L1061 HydrophobicContact CE-CD1 3.72Å; M1027-V1065 HydrophobicContact CE-CG2 3.99Å; M1027-V1165 HydrophobicContact SD-CG1 4.45Å
1028S88.6Confident88Confident6 Ų640.8 Ų40.84%0.04221%0.205CC..Hα-helixtrans-73.1-38.9173.5-620000111.8V1024 V1025 C1031 N1032V1024-S1028 VanDerWaalsContact O-CB 3.23Å; V1024-S1028 WeakPolarHBondContact O-CB 3.46Å; V1024-S1028 PolarHBondContact O-N 3.43Å; V1024-S1028 PolarHBondContact O-OG 2.97Å; V1025-S1028 PolarHBondContact O-N 2.91Å; V1025-S1028 VanDerWaalsContact O-N 3.09Å; S1028-C1031 WeakPolarHBondContact O-CB 3.29Å; S1028-C1031 PolarHBondContact O-N 3.5Å; S1028-N1032 PolarHBondContact O-N 3.1Å; S1028-N1032 PolarHBondContact O-ND2 2.87Å
1029E89Confident88.4Confident107 Ų10742 Ų4250%0.521%0.205SC..Hα-helixtrans-62.6-45.6170.2-73.4-169.9-176.500112.2V1025 C1031 N1032 Q1033V1025-E1029 PolarHBondContact O-N 3.26Å; E1029-C1031 VanDerWaalsContact C-N 3.32Å; E1029-C1031 PolarHBondContact O-N 3.37Å; E1029-N1032 PolarHBondContact O-N 3.33Å; E1029-Q1033 WeakPolarHBondContact O-CG 3.46Å; E1029-Q1033 PolarHBondContact O-N 2.97Å
1030L90.9Very high88.8Confident0 Ų041.3 Ų41.30%021%0.208CC..Hα-helixtrans-55.2-49.4173.6178.885.3000110.4F1020 Q1026 M1027 N1032 Q1033 Y1034 L1061 K1162 V1165 M1166 L1169F1020-L1030 HydrophobicContact CE1-CD2 4.29Å; F1020-L1030 HydrophobicContact CZ-CB 4.48Å; F1020-L1030 HydrophobicContact CZ-CD1 4.35Å; Q1026-L1030 WeakPolarHBondContact O-CB 3.31Å; Q1026-L1030 PolarHBondContact O-N 2.82Å; M1027-L1030 HydrophobicContact CE-CD2 3.87Å; M1027-L1030 HydrophobicContact SD-CD2 3.66Å; L1030-N1032 PolarHBondContact O-N 3.33Å; L1030-Q1033 PolarHBondContact O-N 2.92Å; L1030-Y1034 VanDerWaalsContact O-CB 3.32Å; L1030-Y1034 WeakPolarHBondContact O-CB 3.35Å; L1030-Y1034 PolarHBondContact O-N 3.47Å; L1030-L1061 HydrophobicContact CD2-CD1 4.36Å; L1030-K1162 HydrophobicContact CD1-CG 3.91Å; L1030-V1165 HydrophobicContact CD2-CG1 3.59Å; L1030-M1166 HydrophobicContact CD1-CG 3.72Å; L1030-M1166 HydrophobicContact CD1-SD 3.59Å; L1030-M1166 VanDerWaalsContact CD1-SD 3.59Å; L1030-M1166 HydrophobicContact CG-SD 4.4Å; L1030-L1169 HydrophobicContact CD2-CD1 4.29Å
1031C91.7Very high88.7Confident0 Ų047 Ų470%023%0.229CC..Hα-helixtrans-56.5-49.5178.3-175.40000111.4L185 M1027 S1028 E1029 Q1033 Y1034 I1035 L1061L185-C1031 HydrophobicContact CD2-CB 3.75Å; M1027-C1031 VanDerWaalsContact O-CB 3.28Å; M1027-C1031 WeakPolarHBondContact O-CB 3.48Å; M1027-C1031 PolarHBondContact O-N 3.03Å; S1028-C1031 WeakPolarHBondContact O-CB 3.29Å; S1028-C1031 PolarHBondContact O-N 3.5Å; E1029-C1031 VanDerWaalsContact C-N 3.32Å; E1029-C1031 PolarHBondContact O-N 3.37Å; C1031-Q1033 PolarHBondContact O-N 3.18Å; C1031-Y1034 PolarHBondContact O-N 3.11Å; C1031-I1035 VanDerWaalsContact O-CD1 3.3Å; C1031-I1035 WeakPolarHBondContact O-CD1 3.49Å; C1031-I1035 VanDerWaalsContact O-CG1 3.22Å; C1031-I1035 WeakPolarHBondContact O-CG1 3.43Å; C1031-I1035 PolarHBondContact O-N 3.23Å; C1031-I1035 VanDerWaalsContact SG-CD1 3.54Å; C1031-L1061 HydrophobicContact CB-CD2 3.86Å
1032N92.2Very high88.5Confident66 Ų6648.3 Ų48.335%0.35324%0.236SC..Hα-helixtrans-59.1-43.7178.4-82.7-76000112.4Q182 S1028 E1029 L1030 I1035 L1036Q182-N1032 PolarHBondContact NE2-ND2 2.68Å; Q182-N1032 PolarHBondContact NE2-OD1 2.67Å; Q182-N1032 PolarHBondContact OE1-ND2 2.72Å; S1028-N1032 PolarHBondContact O-N 3.1Å; S1028-N1032 PolarHBondContact O-ND2 2.87Å; E1029-N1032 PolarHBondContact O-N 3.33Å; L1030-N1032 PolarHBondContact O-N 3.33Å; N1032-I1035 PolarHBondContact O-N 2.77Å; N1032-L1036 WeakPolarHBondContact O-CG 3.45Å; N1032-L1036 PolarHBondContact O-N 2.81Å; N1032-L1036 VanDerWaalsContact O-N 3.13Å
1033Q91.2Very high88.1Confident101 Ų10151.5 Ų51.547%0.47226%0.26SS..Hα-helixtrans-68-37.5177.1-68.1175.66.600112.1E1029 L1030 C1031 L1036 S1037E1029-Q1033 WeakPolarHBondContact O-CG 3.46Å; E1029-Q1033 PolarHBondContact O-N 2.97Å; L1030-Q1033 PolarHBondContact O-N 2.92Å; C1031-Q1033 PolarHBondContact O-N 3.18Å; Q1033-L1036 PolarHBondContact O-N 3.02Å; Q1033-S1037 PolarHBondContact O-N 3.06Å
1034Y90.6Very high87.6Confident7 Ų760 Ų603%0.02729%0.289CS..Hα-helixtrans-65-45.9175.1-175.6-107.4000111.6L1030 C1031 L1036 S1037 V1038 E1057 M1166 L1169L1030-Y1034 VanDerWaalsContact O-CB 3.32Å; L1030-Y1034 WeakPolarHBondContact O-CB 3.35Å; L1030-Y1034 PolarHBondContact O-N 3.47Å; C1031-Y1034 PolarHBondContact O-N 3.11Å; Y1034-L1036 PolarHBondContact O-N 2.91Å; Y1034-S1037 WeakPolarHBondContact O-CB 3.44Å; Y1034-S1037 PolarHBondContact O-N 3.35Å; Y1034-S1037 VanDerWaalsContact O-N 3.13Å; Y1034-S1037 PolarHBondContact O-OG 3.28Å; Y1034-V1038 HydrophobicContact CD1-CG2 4.26Å; Y1034-V1038 HydrophobicContact CE1-CG2 4.04Å; Y1034-V1038 WeakPolarHBondContact O-CG2 3.18Å; Y1034-V1038 PolarHBondContact O-N 3.18Å; Y1034-E1057 HydrophobicContact CE1-CB 4.1Å; Y1034-E1057 WeakPolarHBondContact CE1-O 3.31Å; Y1034-E1057 PolarHBondContact OH-O 3.26Å; Y1034-M1166 HydrophobicContact CD2-CE 4.12Å; Y1034-M1166 HydrophobicContact CD2-SD 4.25Å; Y1034-L1169 HydrophobicContact CD2-CD1 3.91Å; Y1034-L1169 HydrophobicContact CE2-CB 3.99Å; Y1034-L1169 HydrophobicContact CE2-CD1 4.06Å; Y1034-L1169 HydrophobicContact CG-CD1 4.23Å
1035I90.4Very high87.3Confident6 Ų662 Ų623%0.03131%0.31CS..Hα-helixtrans-54.7-48.9174.1-69.9153.6000111.2V178 Q182 C1031 N1032 S1037 V1038 Q1039 L1058V178-I1035 HydrophobicContact CG1-CD1 3.45Å; V178-I1035 VanDerWaalsContact CG1-CD1 3.45Å; V178-I1035 HydrophobicContact CG1-CG1 4.23Å; V178-I1035 HydrophobicContact CG1-CG2 4.12Å; V178-I1035 HydrophobicContact CG2-CG2 4.35Å; Q182-I1035 HydrophobicContact CG-CD1 4.47Å; C1031-I1035 VanDerWaalsContact O-CD1 3.3Å; C1031-I1035 WeakPolarHBondContact O-CD1 3.49Å; C1031-I1035 VanDerWaalsContact O-CG1 3.22Å; C1031-I1035 WeakPolarHBondContact O-CG1 3.43Å; C1031-I1035 PolarHBondContact O-N 3.23Å; C1031-I1035 VanDerWaalsContact SG-CD1 3.54Å; N1032-I1035 PolarHBondContact O-N 2.77Å; I1035-S1037 VanDerWaalsContact C-N 3.32Å; I1035-S1037 PolarHBondContact O-N 2.9Å; I1035-V1038 WeakPolarHBondContact O-CB 3.38Å; I1035-V1038 PolarHBondContact O-N 2.73Å; I1035-V1038 VanDerWaalsContact O-N 3.12Å; I1035-Q1039 HydrophobicContact CG2-CG 4.3Å; I1035-Q1039 WeakPolarHBondContact O-CG 3.2Å; I1035-Q1039 PolarHBondContact O-N 2.79Å; I1035-L1058 HydrophobicContact CD1-CD2 4.38Å; I1035-L1058 HydrophobicContact CG1-CD2 3.77Å
1036L90.8Very high87.2Confident97 Ų9764.7 Ų64.751%0.50832%0.322SS..Hα-helixtrans-60.3-42.5178-69.6169.4000111.3N1032 Q1033 Y1034 V1038 Q1039 Q1040N1032-L1036 WeakPolarHBondContact O-CG 3.45Å; N1032-L1036 PolarHBondContact O-N 2.81Å; N1032-L1036 VanDerWaalsContact O-N 3.13Å; Q1033-L1036 PolarHBondContact O-N 3.02Å; Y1034-L1036 PolarHBondContact O-N 2.91Å; L1036-V1038 VanDerWaalsContact C-N 3.29Å; L1036-V1038 PolarHBondContact O-N 2.91Å; L1036-Q1039 PolarHBondContact O-N 2.81Å; L1036-Q1040 WeakPolarHBondContact O-CB 3.19Å; L1036-Q1040 VanDerWaalsContact O-CG 3.25Å; L1036-Q1040 WeakPolarHBondContact O-CG 3.46Å; L1036-Q1040 PolarHBondContact O-N 2.79Å
1037S89.3Confident86.9Confident31 Ų3167.5 Ų67.522%0.21733%0.334CS..Hα-helixtrans-63.5-33.5175.587.30000113.2Q1033 Y1034 I1035 R1041Q1033-S1037 PolarHBondContact O-N 3.06Å; Y1034-S1037 WeakPolarHBondContact O-CB 3.44Å; Y1034-S1037 PolarHBondContact O-N 3.35Å; Y1034-S1037 VanDerWaalsContact O-N 3.13Å; Y1034-S1037 PolarHBondContact O-OG 3.28Å; I1035-S1037 VanDerWaalsContact C-N 3.32Å; I1035-S1037 PolarHBondContact O-N 2.9Å; S1037-R1041 WeakPolarHBondContact O-CG 3.42Å; S1037-R1041 PolarHBondContact O-N 3.19Å; S1037-R1041 PolarHBondContact O-NE 2.98Å; S1037-R1041 PolarHBondContact OG-NH2 3.23Å
1038V87.4Confident86.4Confident0 Ų071 Ų710%035%0.349CS..Hα-helixtrans-72.3-47.6178.31640000110.1Y1034 I1035 L1036 Q1040 R1041 N1042 Y1053 L1054 E1057Y1034-V1038 HydrophobicContact CD1-CG2 4.26Å; Y1034-V1038 HydrophobicContact CE1-CG2 4.04Å; Y1034-V1038 WeakPolarHBondContact O-CG2 3.18Å; Y1034-V1038 PolarHBondContact O-N 3.18Å; I1035-V1038 WeakPolarHBondContact O-CB 3.38Å; I1035-V1038 PolarHBondContact O-N 2.73Å; I1035-V1038 VanDerWaalsContact O-N 3.12Å; L1036-V1038 VanDerWaalsContact C-N 3.29Å; L1036-V1038 PolarHBondContact O-N 2.91Å; V1038-Q1040 VanDerWaalsContact C-N 3.32Å; V1038-Q1040 PolarHBondContact O-N 2.88Å; V1038-R1041 VanDerWaalsContact CG2-NH2 3.25Å; V1038-R1041 PolarHBondContact O-N 3.39Å; V1038-N1042 WeakPolarHBondContact O-CB 3.28Å; V1038-N1042 PolarHBondContact O-N 3.5Å; V1038-Y1053 HydrophobicContact CG1-CD1 4.24Å; V1038-Y1053 HydrophobicContact CG1-CE1 4.09Å; V1038-L1054 HydrophobicContact CB-CD1 4.34Å; V1038-L1054 HydrophobicContact CG1-CD1 3.59Å; V1038-E1057 HydrophobicContact CB-CG 4.35Å; V1038-E1057 HydrophobicContact CG1-CB 4.13Å; V1038-E1057 HydrophobicContact CG1-CG 3.68Å; V1038-E1057 HydrophobicContact CG2-CB 3.72Å; V1038-E1057 HydrophobicContact CG2-CG 3.69Å
1039Q87.4Confident86.2Confident91 Ų9174.2 Ų74.243%0.42537%0.368SS..Hα-helixtrans-64.3-35.9-179.9-70.9174.6-13.200112.2I1035 L1036 N1042I1035-Q1039 HydrophobicContact CG2-CG 4.3Å; I1035-Q1039 WeakPolarHBondContact O-CG 3.2Å; I1035-Q1039 PolarHBondContact O-N 2.79Å; L1036-Q1039 PolarHBondContact O-N 2.81Å; Q1039-N1042 CarbonylContact O-C 3.6Å; Q1039-N1042 PolarHBondContact O-N 3.29Å
1040Q87.8Confident86.1Confident149 Ų14974.1 Ų74.170%0.69636%0.363SS*.Hα-helixtrans-65.8-43.8173.2-72.1170.64.200112.4L1036 V1038L1036-Q1040 WeakPolarHBondContact O-CB 3.19Å; L1036-Q1040 VanDerWaalsContact O-CG 3.25Å; L1036-Q1040 WeakPolarHBondContact O-CG 3.46Å; L1036-Q1040 PolarHBondContact O-N 2.79Å; V1038-Q1040 VanDerWaalsContact C-N 3.32Å; V1038-Q1040 PolarHBondContact O-N 2.88Å
1041R85.9Confident85.9Confident128 Ų12875.8 Ų75.848%0.48337%0.371SS..Hα-helixtrans-64-39.4174.4-77.2179.4-79138-10.5112.2S1037 V1038 S1043 E1057S1037-R1041 WeakPolarHBondContact O-CG 3.42Å; S1037-R1041 PolarHBondContact O-N 3.19Å; S1037-R1041 PolarHBondContact O-NE 2.98Å; S1037-R1041 PolarHBondContact OG-NH2 3.23Å; V1038-R1041 VanDerWaalsContact CG2-NH2 3.25Å; V1038-R1041 PolarHBondContact O-N 3.39Å; R1041-S1043 PolarHBondContact O-N 3.2Å; R1041-E1057 IonicContact CZ-OE2 3.96Å; R1041-E1057 IonicContact NH1-OE2 3.97Å; R1041-E1057 PolarHBondContact NH1-OE2 3.06Å; R1041-E1057 IonicContact NH2-OE2 3.36Å
1042N83Confident85.7Confident30 Ų3078 Ų7816%0.1638%0.383CS..THydrogen-bonded Turntrans-98.246.9-170.9-167.526.8000113.2V1038 Q1039 R1044 R1050 Y1053V1038-N1042 WeakPolarHBondContact O-CB 3.28Å; V1038-N1042 PolarHBondContact O-N 3.5Å; Q1039-N1042 CarbonylContact O-C 3.6Å; Q1039-N1042 PolarHBondContact O-N 3.29Å; N1042-R1044 VanDerWaalsContact C-N 3.34Å; N1042-R1044 PolarHBondContact O-N 2.95Å; N1042-R1050 WeakPolarHBondContact ND2-CA 3.35Å; N1042-R1050 PolarHBondContact ND2-O 3.17Å; N1042-R1050 VanDerWaalsContact O-CD 3.27Å; N1042-R1050 WeakPolarHBondContact O-CD 3.47Å; N1042-Y1053 HydrophobicContact CB-CD1 3.88Å; N1042-Y1053 HydrophobicContact CB-CE1 4.09Å; N1042-Y1053 VanDerWaalsContact ND2-CD1 3.34Å; N1042-Y1053 WeakPolarHBondContact ND2-CD1 3.47Å
1043S76.2Confident85.6Confident87 Ų8779 Ų7961%0.60838%0.383SS*.  trans-82.6-2.6-17351.30000115.1R1041R1041-S1043 PolarHBondContact O-N 3.2Å
1044R77.2Confident85.6Confident226 Ų22674.6 Ų74.685%0.85336%0.362SS*.SBendtrans-131.6137.6-176.2-67.9179.2172.8170.5-2.9111.2N1042N1042-R1044 VanDerWaalsContact C-N 3.34Å; N1042-R1044 PolarHBondContact O-N 2.95Å
1045G80.8Confident85.6Confident44 Ų4474.3 Ų74.345%0.45436%0.361SS..SBendtrans127.3167.4-18000000113.1R1050G1045-R1050 PolarHBondContact O-NE 3.27Å; G1045-R1050 PolarHBondContact O-NH2 3.17Å
1046D82.2Confident85.6Confident124 Ų12476.3 Ų76.366%0.66337%0.372SS*.  trans-66.5160.8176.6-59.8-42.5000111.7K1048 T1049 R1050D1046-K1048 PolarHBondContact O-N 2.96Å; D1046-T1049 HydrophobicContact CB-CG2 4.44Å; D1046-T1049 PolarHBondContact N-OG1 2.91Å; D1046-T1049 PolarHBondContact O-N 2.78Å; D1046-T1049 PolarHBondContact O-OG1 3.3Å; D1046-R1050 PolarHBondContact O-N 3.44Å
1047K80.5Confident85.7Confident118 Ų11871.8 Ų71.851%0.51335%0.348SS..Hα-helixtrans-56-54.1-177.2-178-177.5163.9-140.70111.4E174 T1049 R1050 Q1051E174-K1047 HydrophobicContact CG-CD 4.46Å; E174-K1047 HydrophobicContact CG-CG 4.32Å; E174-K1047 VanDerWaalsContact OE1-CB 3.31Å; E174-K1047 WeakPolarHBondContact OE1-CB 3.36Å; E174-K1047 WeakPolarHBondContact OE1-CG 3.45Å; E174-K1047 WeakPolarHBondContact OE2-CD 3.43Å; E174-K1047 WeakPolarHBondContact OE2-CE 3.42Å; E174-K1047 IonicContact OE2-NZ 3.87Å; E174-K1047 PolarHBondContact OE2-NZ 2.82Å; K1047-T1049 PolarHBondContact O-N 3.04Å; K1047-R1050 PolarHBondContact O-N 2.91Å; K1047-Q1051 WeakPolarHBondContact O-CB 3.43Å; K1047-Q1051 PolarHBondContact O-N 2.77Å
1048K81.9Confident85.8Confident72 Ų7270.4 Ų70.431%0.31334%0.338SS..Hα-helixtrans-53.3-46.9174.2-171.5172.2176.7177.90113.1D170 E174 D1046 R1050 Q1051 N1052D170-K1048 IonicContact OD2-NZ 3.84Å; D170-K1048 PolarHBondContact OD2-NZ 2.98Å; E174-K1048 HydrophobicContact CG-CB 4.2Å; E174-K1048 WeakPolarHBondContact OE1-CA 3.41Å; E174-K1048 WeakPolarHBondContact OE1-CB 3.4Å; E174-K1048 PolarHBondContact OE1-N 3.16Å; D1046-K1048 PolarHBondContact O-N 2.96Å; K1048-R1050 PolarHBondContact O-N 2.96Å; K1048-Q1051 PolarHBondContact O-N 3.03Å; K1048-N1052 WeakPolarHBondContact O-CB 3.35Å; K1048-N1052 VanDerWaalsContact O-CG 3.28Å; K1048-N1052 PolarHBondContact O-N 3.42Å; K1048-N1052 PolarHBondContact O-OD1 3.35Å
1049T84.2Confident86.1Confident75 Ų7570.4 Ų70.446%0.4634%0.338SS..Hα-helixtrans-66-41-179.563.80000112.8D1046 K1047 Q1051 Y1053D1046-T1049 HydrophobicContact CB-CG2 4.44Å; D1046-T1049 PolarHBondContact N-OG1 2.91Å; D1046-T1049 PolarHBondContact O-N 2.78Å; D1046-T1049 PolarHBondContact O-OG1 3.3Å; K1047-T1049 PolarHBondContact O-N 3.04Å; T1049-Q1051 VanDerWaalsContact C-N 3.33Å; T1049-Q1051 PolarHBondContact O-N 3.36Å; T1049-Y1053 PolarHBondContact O-N 2.86Å; T1049-Y1053 VanDerWaalsContact O-N 3.09Å
1050R85.8Confident86.4Confident105 Ų10567.1 Ų67.140%0.39632%0.322SS..Hα-helixtrans-65.6-38.2175.3-77.1-175.3-74.8146.7-2.6111.7N1042 G1045 D1046 K1047 K1048 L1054N1042-R1050 WeakPolarHBondContact ND2-CA 3.35Å; N1042-R1050 PolarHBondContact ND2-O 3.17Å; N1042-R1050 VanDerWaalsContact O-CD 3.27Å; N1042-R1050 WeakPolarHBondContact O-CD 3.47Å; G1045-R1050 PolarHBondContact O-NE 3.27Å; G1045-R1050 PolarHBondContact O-NH2 3.17Å; D1046-R1050 PolarHBondContact O-N 3.44Å; K1047-R1050 PolarHBondContact O-N 2.91Å; K1048-R1050 PolarHBondContact O-N 2.96Å; R1050-L1054 WeakPolarHBondContact O-CB 3.34Å; R1050-L1054 PolarHBondContact O-N 3.32Å
1051Q88.1Confident86.7Confident34 Ų3460 Ų6016%0.15929%0.289CS..Hα-helixtrans-71.4-42.1178.9-169.866.59.600112.4V173 V176 K1047 K1048 T1049 Y1053 L1054 L1055V173-Q1051 HydrophobicContact CG1-CB 4.05Å; V173-Q1051 HydrophobicContact CG1-CG 3.53Å; V173-Q1051 WeakPolarHBondContact O-CG 3.09Å; V176-Q1051 PolarHBondContact O-NE2 3.08Å; K1047-Q1051 WeakPolarHBondContact O-CB 3.43Å; K1047-Q1051 PolarHBondContact O-N 2.77Å; K1048-Q1051 PolarHBondContact O-N 3.03Å; T1049-Q1051 VanDerWaalsContact C-N 3.33Å; T1049-Q1051 PolarHBondContact O-N 3.36Å; Q1051-Y1053 VanDerWaalsContact C-N 3.33Å; Q1051-Y1053 PolarHBondContact O-N 3.17Å; Q1051-L1054 PolarHBondContact O-N 3.39Å; Q1051-L1055 PolarHBondContact O-N 2.78Å
1052N88Confident87.1Confident48 Ų4854 Ų5426%0.25727%0.266SS..Hα-helixtrans-56.2-47.6171.4-74.214000111.1V173 K1048 L1055 N1056V173-N1052 WeakPolarHBondContact CG1-OD1 3.36Å; K1048-N1052 WeakPolarHBondContact O-CB 3.35Å; K1048-N1052 VanDerWaalsContact O-CG 3.28Å; K1048-N1052 PolarHBondContact O-N 3.42Å; K1048-N1052 PolarHBondContact O-OD1 3.35Å; N1052-L1055 PolarHBondContact O-N 2.86Å; N1052-N1056 WeakPolarHBondContact O-CB 3.44Å; N1052-N1056 PolarHBondContact O-N 2.95Å
1053Y89Confident87.6Confident86 Ų8652.7 Ų52.734%0.33726%0.259SS..Hα-helixtrans-59.6-48.4175.7-177.8-80.6000110.9V1038 N1042 T1049 Q1051 L1055 N1056 E1057V1038-Y1053 HydrophobicContact CG1-CD1 4.24Å; V1038-Y1053 HydrophobicContact CG1-CE1 4.09Å; N1042-Y1053 HydrophobicContact CB-CD1 3.88Å; N1042-Y1053 HydrophobicContact CB-CE1 4.09Å; N1042-Y1053 VanDerWaalsContact ND2-CD1 3.34Å; N1042-Y1053 WeakPolarHBondContact ND2-CD1 3.47Å; T1049-Y1053 PolarHBondContact O-N 2.86Å; T1049-Y1053 VanDerWaalsContact O-N 3.09Å; Q1051-Y1053 VanDerWaalsContact C-N 3.33Å; Q1051-Y1053 PolarHBondContact O-N 3.17Å; Y1053-L1055 PolarHBondContact O-N 2.9Å; Y1053-N1056 PolarHBondContact O-N 3.17Å; Y1053-N1056 VanDerWaalsContact O-N 3.13Å; Y1053-E1057 HydrophobicContact CD1-CG 3.71Å; Y1053-E1057 HydrophobicContact CE1-CG 3.29Å; Y1053-E1057 VanDerWaalsContact CZ-CD 3.46Å; Y1053-E1057 WeakPolarHBondContact O-CG 3.37Å; Y1053-E1057 PolarHBondContact O-N 3.46Å; Y1053-E1057 VanDerWaalsContact OH-CD 3.27Å; Y1053-E1057 PolarHBondContact OH-OE1 3.34Å; Y1053-E1057 PolarHBondContact OH-OE2 3.23Å
1054L90.6Very high88.5Confident8 Ų848.6 Ų48.64%0.04223%0.23CC..Hα-helixtrans-58-45.5177.7176.560.2000112.5V178 V1038 R1050 Q1051 N1056 E1057 L1058V178-L1054 HydrophobicContact CG2-CD2 3.98Å; V1038-L1054 HydrophobicContact CB-CD1 4.34Å; V1038-L1054 HydrophobicContact CG1-CD1 3.59Å; R1050-L1054 WeakPolarHBondContact O-CB 3.34Å; R1050-L1054 PolarHBondContact O-N 3.32Å; Q1051-L1054 PolarHBondContact O-N 3.39Å; L1054-N1056 VanDerWaalsContact C-N 3.33Å; L1054-N1056 PolarHBondContact O-N 3.41Å; L1054-E1057 PolarHBondContact O-N 2.81Å; L1054-L1058 HydrophobicContact CD1-CD1 3.95Å; L1054-L1058 HydrophobicContact CD1-CG 4.14Å; L1054-L1058 HydrophobicContact CG-CD1 4.02Å; L1054-L1058 WeakPolarHBondContact O-CB 3.46Å; L1054-L1058 VanDerWaalsContact O-CG 3.25Å; L1054-L1058 WeakPolarHBondContact O-CG 3.31Å; L1054-L1058 PolarHBondContact O-N 3.19Å
1055L91Very high89.2Confident2 Ų238.3 Ų38.31%0.0119%0.193CC..Hα-helixtrans-64.5-35.7175.9-67.7-162.3000112.4E91 I94 P95 V173 V176 Q1051 N1052 Y1053 L1058 G1059E91-L1055 HydrophobicContact CB-CB 4.12Å; I94-L1055 HydrophobicContact CD1-CB 4.46Å; I94-L1055 VanDerWaalsContact CD1-O 3.23Å; I94-L1055 WeakPolarHBondContact CD1-O 3.46Å; I94-L1055 HydrophobicContact CG2-CD1 4.49Å; I94-L1055 HydrophobicContact CG2-CD2 4.46Å; P95-L1055 HydrophobicContact CG-CD1 4.02Å; V173-L1055 HydrophobicContact CB-CD1 4.43Å; V173-L1055 HydrophobicContact CG1-CD1 3.62Å; V173-L1055 HydrophobicContact CG1-CG 4.12Å; V173-L1055 HydrophobicContact CG2-CD1 4.31Å; V176-L1055 HydrophobicContact CB-CD1 4.27Å; V176-L1055 HydrophobicContact CB-CD2 4.32Å; V176-L1055 HydrophobicContact CG1-CD1 4.4Å; V176-L1055 HydrophobicContact CG1-CD2 3.79Å; V176-L1055 HydrophobicContact CG2-CD1 4.17Å; Q1051-L1055 PolarHBondContact O-N 2.78Å; N1052-L1055 PolarHBondContact O-N 2.86Å; Y1053-L1055 PolarHBondContact O-N 2.9Å; L1055-L1058 PolarHBondContact O-N 3.15Å; L1055-G1059 PolarHBondContact O-N 3.03Å
1056N91.4Very high89.8Confident47 Ų4736.4 Ų36.425%0.25117%0.172SC..Hα-helixtrans-68.1-41.5175.7-175.923.5000112.3R87 N1052 Y1053 L1054 L1058 G1059 R1060R87-N1056 PolarHBondContact NH1-OD1 3.31Å; R87-N1056 PolarHBondContact NH2-O 3.2Å; N1052-N1056 WeakPolarHBondContact O-CB 3.44Å; N1052-N1056 PolarHBondContact O-N 2.95Å; Y1053-N1056 PolarHBondContact O-N 3.17Å; Y1053-N1056 VanDerWaalsContact O-N 3.13Å; L1054-N1056 VanDerWaalsContact C-N 3.33Å; L1054-N1056 PolarHBondContact O-N 3.41Å; N1056-L1058 VanDerWaalsContact C-N 3.33Å; N1056-L1058 PolarHBondContact O-N 2.58Å; N1056-G1059 PolarHBondContact O-N 2.71Å; N1056-R1060 PolarHBondContact O-N 3.49Å
1057E91.7Very high90.3Very high3 Ų330.7 Ų30.71%0.01414%0.142CC..Hα-helixtrans-61.2-41.9172.6-59.3-62.186.700111.4Y1034 V1038 R1041 Y1053 L1054 R1060Y1034-E1057 HydrophobicContact CE1-CB 4.1Å; Y1034-E1057 WeakPolarHBondContact CE1-O 3.31Å; Y1034-E1057 PolarHBondContact OH-O 3.26Å; V1038-E1057 HydrophobicContact CB-CG 4.35Å; V1038-E1057 HydrophobicContact CG1-CB 4.13Å; V1038-E1057 HydrophobicContact CG1-CG 3.68Å; V1038-E1057 HydrophobicContact CG2-CB 3.72Å; V1038-E1057 HydrophobicContact CG2-CG 3.69Å; R1041-E1057 IonicContact CZ-OE2 3.96Å; R1041-E1057 IonicContact NH1-OE2 3.97Å; R1041-E1057 PolarHBondContact NH1-OE2 3.06Å; R1041-E1057 IonicContact NH2-OE2 3.36Å; Y1053-E1057 HydrophobicContact CD1-CG 3.71Å; Y1053-E1057 HydrophobicContact CE1-CG 3.29Å; Y1053-E1057 VanDerWaalsContact CZ-CD 3.46Å; Y1053-E1057 WeakPolarHBondContact O-CG 3.37Å; Y1053-E1057 PolarHBondContact O-N 3.46Å; Y1053-E1057 VanDerWaalsContact OH-CD 3.27Å; Y1053-E1057 PolarHBondContact OH-OE1 3.34Å; Y1053-E1057 PolarHBondContact OH-OE2 3.23Å; L1054-E1057 PolarHBondContact O-N 2.81Å; E1057-R1060 WeakPolarHBondContact O-CB 3.5Å; E1057-R1060 PolarHBondContact O-N 3.48Å; E1057-R1060 IonicContact OE1-CZ 2.68Å; E1057-R1060 IonicContact OE1-NE 2.86Å; E1057-R1060 IonicContact OE1-NH2 2.69Å; E1057-R1060 PolarHBondContact OE1-NH2 3.41Å; E1057-R1060 IonicContact OE2-NH2 2.96Å; E1057-R1060 PolarHBondContact OE2-NH2 3.05Å; E1057-R1060 VanDerWaalsContact OE2-NH2 3.13Å
1058L92.3Very high90.9Very high1 Ų125.7 Ų25.71%0.00512%0.12CC..Hα-helixtrans-71-34.7178.4-72.1175.9000112.2Y181 I1035 L1054 L1055 N1056 R1060 L1061 L1062Y181-L1058 HydrophobicContact CD1-CD1 4.11Å; Y181-L1058 HydrophobicContact CD1-CD2 3.95Å; Y181-L1058 HydrophobicContact CD1-CG 4.43Å; Y181-L1058 HydrophobicContact CD2-CB 3.94Å; Y181-L1058 HydrophobicContact CD2-CD1 4.27Å; Y181-L1058 HydrophobicContact CE1-CB 4.34Å; Y181-L1058 HydrophobicContact CE1-CD2 3.72Å; Y181-L1058 HydrophobicContact CE1-CG 4.44Å; Y181-L1058 HydrophobicContact CE2-CB 3.66Å; Y181-L1058 HydrophobicContact CG-CB 4.39Å; Y181-L1058 HydrophobicContact CG-CD1 3.97Å; Y181-L1058 PolarHBondContact OH-O 3.23Å; Y181-L1058 VanDerWaalsContact OH-O 3.05Å; I1035-L1058 HydrophobicContact CD1-CD2 4.38Å; I1035-L1058 HydrophobicContact CG1-CD2 3.77Å; L1054-L1058 HydrophobicContact CD1-CD1 3.95Å; L1054-L1058 HydrophobicContact CD1-CG 4.14Å; L1054-L1058 HydrophobicContact CG-CD1 4.02Å; L1054-L1058 WeakPolarHBondContact O-CB 3.46Å; L1054-L1058 VanDerWaalsContact O-CG 3.25Å; L1054-L1058 WeakPolarHBondContact O-CG 3.31Å; L1054-L1058 PolarHBondContact O-N 3.19Å; L1055-L1058 PolarHBondContact O-N 3.15Å; N1056-L1058 VanDerWaalsContact C-N 3.33Å; N1056-L1058 PolarHBondContact O-N 2.58Å; L1058-R1060 PolarHBondContact O-N 3.28Å; L1058-L1061 WeakPolarHBondContact O-CB 3.44Å; L1058-L1061 PolarHBondContact O-N 3.35Å; L1058-L1062 PolarHBondContact O-N 3.31Å
1059G93.8Very high91.4Very high0 Ų023 Ų230%011%0.108CC..Hα-helixtrans-55.2-40.517200000112.1Y89 L1055 N1056 L1061 L1062 D1063Y89-G1059 WeakPolarHBondContact O-CA 3.25Å; L1055-G1059 PolarHBondContact O-N 3.03Å; N1056-G1059 PolarHBondContact O-N 2.71Å; G1059-L1061 PolarHBondContact O-N 3.06Å; G1059-L1062 PolarHBondContact O-N 2.91Å; G1059-L1062 VanDerWaalsContact O-N 3.12Å; G1059-D1063 PolarHBondContact O-N 3.38Å; G1059-D1063 VanDerWaalsContact O-OD2 3.07Å
1060R93.5Very high91.8Very high22 Ų2220.7 Ų20.78%0.0839%0.091CC..Hα-helixtrans-59.4-29175.2-73.8-166.7-91.3140.2-17113.5N1056 E1057 L1058 L1064 L1169 I1174N1056-R1060 PolarHBondContact O-N 3.49Å; E1057-R1060 WeakPolarHBondContact O-CB 3.5Å; E1057-R1060 PolarHBondContact O-N 3.48Å; E1057-R1060 IonicContact OE1-CZ 2.68Å; E1057-R1060 IonicContact OE1-NE 2.86Å; E1057-R1060 IonicContact OE1-NH2 2.69Å; E1057-R1060 PolarHBondContact OE1-NH2 3.41Å; E1057-R1060 IonicContact OE2-NH2 2.96Å; E1057-R1060 PolarHBondContact OE2-NH2 3.05Å; E1057-R1060 VanDerWaalsContact OE2-NH2 3.13Å; L1058-R1060 PolarHBondContact O-N 3.28Å; R1060-L1064 WeakPolarHBondContact O-CB 3.2Å; R1060-L1064 PolarHBondContact O-N 3.24Å; R1060-L1169 PolarHBondContact NH1-O 3.34Å; R1060-I1174 HydrophobicContact CB-CD1 4.43Å; R1060-I1174 HydrophobicContact CB-CG1 3.97Å; R1060-I1174 HydrophobicContact CG-CG1 4.03Å; R1060-I1174 WeakPolarHBondContact O-CD1 3.23Å
1061L93.6Very high92.1Very high0 Ų015.9 Ų15.90%07%0.073CC..Hα-helixtrans-77.5-35.3176.5174.160.7000112.4Y181 L185 M1027 L1030 C1031 L1058 G1059 V1065 L1169Y181-L1061 HydrophobicContact CE1-CD2 4.28Å; Y181-L1061 WeakPolarHBondContact OH-CB 3.36Å; Y181-L1061 WeakPolarHBondContact OH-CD2 3.49Å; Y181-L1061 WeakPolarHBondContact OH-CG 3.42Å; L185-L1061 HydrophobicContact CD1-CG 4.32Å; L185-L1061 HydrophobicContact CD2-CD2 3.83Å; L185-L1061 HydrophobicContact CD2-CG 4.29Å; M1027-L1061 HydrophobicContact CE-CD1 3.72Å; L1030-L1061 HydrophobicContact CD2-CD1 4.36Å; C1031-L1061 HydrophobicContact CB-CD2 3.86Å; L1058-L1061 WeakPolarHBondContact O-CB 3.44Å; L1058-L1061 PolarHBondContact O-N 3.35Å; G1059-L1061 PolarHBondContact O-N 3.06Å; L1061-V1065 PolarHBondContact O-N 2.95Å; L1061-L1169 HydrophobicContact CB-CD2 3.77Å; L1061-L1169 HydrophobicContact CD1-CD1 4.3Å; L1061-L1169 HydrophobicContact CD1-CD2 3.89Å; L1061-L1169 HydrophobicContact CG-CD2 4.42Å
1062L94.1Very high92.3Very high1 Ų115 Ų151%0.0057%0.069CC..Hα-helixtrans-71-39.9169.2-72.5170.8000112.4Y89 Y181 Y184 L185 M188 L1058 G1059 L1064 V1065 T1066Y89-L1062 HydrophobicContact CD1-CB 3.78Å; Y89-L1062 HydrophobicContact CD1-CD1 3.53Å; Y89-L1062 HydrophobicContact CD1-CG 4.27Å; Y89-L1062 HydrophobicContact CD2-CB 3.53Å; Y89-L1062 HydrophobicContact CE1-CB 4.09Å; Y89-L1062 HydrophobicContact CE1-CD1 3.94Å; Y89-L1062 HydrophobicContact CE1-CG 4.5Å; Y89-L1062 HydrophobicContact CE2-CB 3.88Å; Y89-L1062 HydrophobicContact CG-CB 3.46Å; Y89-L1062 VanDerWaalsContact CG-CB 3.46Å; Y89-L1062 HydrophobicContact CG-CD1 3.99Å; Y89-L1062 HydrophobicContact CG-CG 4.38Å; Y181-L1062 HydrophobicContact CD2-CD1 4.19Å; Y181-L1062 HydrophobicContact CE2-CD1 3.5Å; Y181-L1062 HydrophobicContact CE2-CD2 4.42Å; Y181-L1062 HydrophobicContact CE2-CG 3.63Å; Y184-L1062 HydrophobicContact CD1-CD1 3.95Å; Y184-L1062 HydrophobicContact CD1-CD2 4.05Å; Y184-L1062 HydrophobicContact CE1-CD1 3.84Å; Y184-L1062 HydrophobicContact CE1-CD2 4.07Å; L185-L1062 HydrophobicContact CD1-CD2 3.91Å; M188-L1062 HydrophobicContact CB-CD2 4.4Å; M188-L1062 HydrophobicContact CG-CD2 4.37Å; L1058-L1062 PolarHBondContact O-N 3.31Å; G1059-L1062 PolarHBondContact O-N 2.91Å; G1059-L1062 VanDerWaalsContact O-N 3.12Å; L1062-L1064 VanDerWaalsContact C-N 3.32Å; L1062-L1064 PolarHBondContact O-N 3.43Å; L1062-V1065 PolarHBondContact O-N 3.35Å; L1062-T1066 VanDerWaalsContact O-CB 3.28Å; L1062-T1066 WeakPolarHBondContact O-CB 3.1Å; L1062-T1066 PolarHBondContact O-N 3Å; L1062-T1066 PolarHBondContact O-OG1 3.5Å
1063D94.3Very high92.4Very high4 Ų414 Ų142%0.0216%0.064CC..Hα-helixtrans-57.8-46.3171.9-70.8-53.9000109.5R87 E88 Y89 G1059 V1065 T1066 L1067 I1174R87-D1063 IonicContact CZ-OD2 2.7Å; R87-D1063 VanDerWaalsContact CZ-OD2 3.22Å; R87-D1063 IonicContact NE-OD2 3.15Å; R87-D1063 PolarHBondContact NE-OD2 2.94Å; R87-D1063 IonicContact NH2-OD2 2.69Å; R87-D1063 PolarHBondContact NH2-OD2 3.01Å; E88-D1063 PolarHBondContact N-OD1 2.79Å; Y89-D1063 WeakPolarHBondContact CD2-OD1 3.44Å; Y89-D1063 PolarHBondContact N-OD1 2.81Å; G1059-D1063 PolarHBondContact O-N 3.38Å; G1059-D1063 VanDerWaalsContact O-OD2 3.07Å; D1063-V1065 PolarHBondContact O-N 2.96Å; D1063-T1066 PolarHBondContact O-N 3.46Å; D1063-L1067 HydrophobicContact CB-CD1 4.23Å; D1063-L1067 WeakPolarHBondContact O-CB 3.39Å; D1063-L1067 WeakPolarHBondContact O-CG 3.16Å; D1063-L1067 PolarHBondContact O-N 2.85Å; D1063-I1174 HydrophobicContact CB-CG2 4.3Å
1064L94.1Very high92.6Very high0 Ų010.2 Ų10.20%05%0.05CC..Hα-helixtrans-56.5-48.8179.8-175.559.5000113.3I1021 R1060 L1062 R1068 F1159 V1165 M1168 L1169 I1174 L1177I1021-L1064 HydrophobicContact CD1-CG 4.46Å; R1060-L1064 WeakPolarHBondContact O-CB 3.2Å; R1060-L1064 PolarHBondContact O-N 3.24Å; L1062-L1064 VanDerWaalsContact C-N 3.32Å; L1062-L1064 PolarHBondContact O-N 3.43Å; L1064-R1068 PolarHBondContact O-N 2.99Å; L1064-F1159 HydrophobicContact CD1-CE1 3.65Å; L1064-F1159 HydrophobicContact CD1-CZ 4.34Å; L1064-F1159 HydrophobicContact CG-CE1 4.2Å; L1064-V1165 HydrophobicContact CD2-CG1 3.85Å; L1064-M1168 HydrophobicContact CD1-CB 3.89Å; L1064-M1168 HydrophobicContact CD1-CE 4.4Å; L1064-M1168 HydrophobicContact CD1-SD 4.44Å; L1064-M1168 HydrophobicContact CD2-CB 4.39Å; L1064-L1169 HydrophobicContact CB-CD2 4.32Å; L1064-L1169 HydrophobicContact CD2-CD2 3.61Å; L1064-L1169 HydrophobicContact CD2-CG 3.75Å; L1064-I1174 HydrophobicContact CB-CD1 3.88Å; L1064-I1174 HydrophobicContact CD1-CD1 4.08Å; L1064-L1177 HydrophobicContact CD1-CD1 3.27Å
1065V92.8Very high92.7Very high10 Ų109.9 Ų9.96%0.0615%0.048CC..Hα-helixtrans-64.6-44.7177.7174.50000110.8L185 I189 L192 I1021 M1027 L1061 L1062 D1063 H1069L185-V1065 HydrophobicContact CD1-CG2 4.46Å; I189-V1065 HydrophobicContact CD1-CG2 4.5Å; I189-V1065 HydrophobicContact CG1-CG1 3.98Å; I189-V1065 HydrophobicContact CG1-CG2 4.16Å; L192-V1065 HydrophobicContact CD1-CG1 4.06Å; I1021-V1065 HydrophobicContact CD1-CG2 4.23Å; I1021-V1065 HydrophobicContact CG1-CG2 4.32Å; M1027-V1065 HydrophobicContact CE-CG2 3.99Å; L1061-V1065 PolarHBondContact O-N 2.95Å; L1062-V1065 PolarHBondContact O-N 3.35Å; D1063-V1065 PolarHBondContact O-N 2.96Å; V1065-H1069 PolarHBondContact O-N 2.98Å
1066T92.7Very high92.6Very high4 Ų410.5 Ų10.53%0.0255%0.051CC..Hα-helixtrans-73.2-37.5-175.5-52.90000112.1Y89 L1062 D1063 H1069 R1070 W1623Y89-T1066 HydrophobicContact CE2-CG2 4.16Å; Y89-T1066 VanDerWaalsContact CE2-OG1 3.23Å; Y89-T1066 WeakPolarHBondContact CE2-OG1 3.16Å; Y89-T1066 PolarHBondContact OH-OG1 3.28Å; L1062-T1066 VanDerWaalsContact O-CB 3.28Å; L1062-T1066 WeakPolarHBondContact O-CB 3.1Å; L1062-T1066 PolarHBondContact O-N 3Å; L1062-T1066 PolarHBondContact O-OG1 3.5Å; D1063-T1066 PolarHBondContact O-N 3.46Å; T1066-H1069 PolarHBondContact O-N 2.94Å; T1066-R1070 HydrophobicContact CG2-CG 4.42Å; T1066-R1070 WeakPolarHBondContact O-CB 3.43Å; T1066-R1070 VanDerWaalsContact O-CG 3.27Å; T1066-R1070 WeakPolarHBondContact O-CG 3.35Å; T1066-R1070 PolarHBondContact O-N 3.38Å; T1066-W1623 HydrophobicContact CG2-CE3 4.09Å; T1066-W1623 HydrophobicContact CG2-CH2 3.89Å; T1066-W1623 HydrophobicContact CG2-CZ3 3.5Å
1067L94.2Very high92.7Very high5 Ų58.8 Ų8.83%0.0264%0.041CC..Hα-helixtrans-67.1-38.1176-71171.1000111.3D1063 R1070 L1071 I1174 L1177 L1178 L1181D1063-L1067 HydrophobicContact CB-CD1 4.23Å; D1063-L1067 WeakPolarHBondContact O-CB 3.39Å; D1063-L1067 WeakPolarHBondContact O-CG 3.16Å; D1063-L1067 PolarHBondContact O-N 2.85Å; L1067-R1070 PolarHBondContact O-N 3.16Å; L1067-L1071 VanDerWaalsContact O-CB 3.24Å; L1067-L1071 WeakPolarHBondContact O-CB 3.4Å; L1067-L1071 PolarHBondContact O-N 2.68Å; L1067-I1174 HydrophobicContact CD1-CG2 4.17Å; L1067-L1177 HydrophobicContact CD1-CB 4.24Å; L1067-L1178 HydrophobicContact CD1-CD2 3.96Å; L1067-L1178 HydrophobicContact CD1-CG 3.95Å; L1067-L1178 HydrophobicContact CD2-CD2 3.7Å; L1067-L1178 HydrophobicContact CD2-CG 4.46Å; L1067-L1178 HydrophobicContact CG-CD2 4.48Å; L1067-L1181 HydrophobicContact CD2-CD2 3.59Å
1068R92.7Very high92.8Very high13 Ų138.7 Ų8.75%0.0494%0.041CC..Hα-helixtrans-58.4-48.3170.3-179.9176.4170.8-913.2111.4L1015 S1017 E1022 L1064 L1071 L1072 F1159L1015-R1068 HydrophobicContact CD1-CG 3.82Å; L1015-R1068 PolarHBondContact O-NE 3.19Å; L1015-R1068 VanDerWaalsContact O-NE 3.11Å; L1015-R1068 PolarHBondContact O-NH2 2.8Å; S1017-R1068 PolarHBondContact O-NH2 3.29Å; E1022-R1068 IonicContact OE1-CZ 2.61Å; E1022-R1068 IonicContact OE1-NH1 3.26Å; E1022-R1068 PolarHBondContact OE1-NH1 3.42Å; E1022-R1068 IonicContact OE1-NH2 3.71Å; E1022-R1068 PolarHBondContact OE1-NH2 3.02Å; L1064-R1068 PolarHBondContact O-N 2.99Å; R1068-L1071 PolarHBondContact O-N 2.88Å; R1068-L1072 HydrophobicContact CG-CD1 4.1Å; R1068-L1072 HydrophobicContact CG-CG 4.48Å; R1068-L1072 WeakPolarHBondContact O-CG 3.32Å; R1068-L1072 PolarHBondContact O-N 3.48Å; R1068-F1159 HydrophobicContact CB-CD1 4.44Å; R1068-F1159 HydrophobicContact CB-CE1 3.86Å; R1068-F1159 HydrophobicContact CB-CE2 4.27Å; R1068-F1159 HydrophobicContact CB-CZ 3.77Å; R1068-F1159 HydrophobicContact CG-CD1 4.43Å; R1068-F1159 HydrophobicContact CG-CD2 4.25Å; R1068-F1159 HydrophobicContact CG-CE1 4.24Å; R1068-F1159 HydrophobicContact CG-CE2 4.07Å; R1068-F1159 HydrophobicContact CG-CG 4.42Å; R1068-F1159 HydrophobicContact CG-CZ 4.07Å
1069H91.4Very high92.8Very high16 Ų168.7 Ų8.77%0.0744%0.041CC..Hα-helixtrans-61.2-47.9178.4-175.484.5000111.9L192 N199 V1065 T1066 L1071 L1072 D1073L192-H1069 HydrophobicContact CD1-CB 4.08Å; L192-H1069 HydrophobicContact CD2-CB 4.48Å; N199-H1069 PolarHBondContact ND2-NE2 3.25Å; V1065-H1069 PolarHBondContact O-N 2.98Å; T1066-H1069 PolarHBondContact O-N 2.94Å; H1069-L1071 VanDerWaalsContact C-N 3.29Å; H1069-L1071 PolarHBondContact O-N 3.05Å; H1069-L1072 PolarHBondContact O-N 3.36Å; H1069-D1073 IonicContact CD2-OD2 3.22Å; H1069-D1073 IonicContact CE1-OD2 2.85Å; H1069-D1073 IonicContact NE2-OD1 2.66Å; H1069-D1073 IonicContact NE2-OD2 2.73Å; H1069-D1073 PolarHBondContact NE2-OD2 3.47Å; H1069-D1073 PolarHBondContact O-N 3.31Å
1070R92.2Very high92.7Very high26 Ų269.6 Ų9.610%0.0985%0.045CC..Hα-helixtrans-59.2-37.9176-70.8170.667.9-175.91.9112.2A83 T1066 L1067 C1074 L1181 W1623A83-R1070 PolarHBondContact O-NH2 3.4Å; T1066-R1070 HydrophobicContact CG2-CG 4.42Å; T1066-R1070 WeakPolarHBondContact O-CB 3.43Å; T1066-R1070 VanDerWaalsContact O-CG 3.27Å; T1066-R1070 WeakPolarHBondContact O-CG 3.35Å; T1066-R1070 PolarHBondContact O-N 3.38Å; L1067-R1070 PolarHBondContact O-N 3.16Å; R1070-C1074 WeakPolarHBondContact O-CB 3.4Å; R1070-C1074 PolarHBondContact O-N 2.86Å; R1070-L1181 HydrophobicContact CB-CD1 4.14Å; R1070-L1181 HydrophobicContact CB-CD2 3.91Å; R1070-W1623 HydrophobicContact CG-CH2 4.34Å; R1070-W1623 HydrophobicContact CG-CZ2 3.77Å
1071L93.1Very high92.7Very high3 Ų38.6 Ų8.62%0.0164%0.042CC..Hα-helixtrans-69.4-42.4176.6-177.160.7000111.9L1015 L1067 R1068 H1069 C1074 M1075 L1144 F1157 I1180 L1181 Q1184L1015-L1071 HydrophobicContact CD1-CD2 4.28Å; L1015-L1071 HydrophobicContact CD2-CD2 4.14Å; L1015-L1071 HydrophobicContact CD2-CG 4.28Å; L1067-L1071 VanDerWaalsContact O-CB 3.24Å; L1067-L1071 WeakPolarHBondContact O-CB 3.4Å; L1067-L1071 PolarHBondContact O-N 2.68Å; R1068-L1071 PolarHBondContact O-N 2.88Å; H1069-L1071 VanDerWaalsContact C-N 3.29Å; H1069-L1071 PolarHBondContact O-N 3.05Å; L1071-C1074 PolarHBondContact O-N 2.63Å; L1071-M1075 HydrophobicContact CD1-CG 4.13Å; L1071-M1075 HydrophobicContact CD1-SD 4.13Å; L1071-M1075 HydrophobicContact CG-CG 4.41Å; L1071-M1075 HydrophobicContact CG-SD 3.95Å; L1071-M1075 WeakPolarHBondContact O-CB 3.3Å; L1071-M1075 VanDerWaalsContact O-CG 3.27Å; L1071-M1075 WeakPolarHBondContact O-CG 3.48Å; L1071-M1075 PolarHBondContact O-N 3.21Å; L1071-L1144 HydrophobicContact CD1-CD1 4.4Å; L1071-F1157 HydrophobicContact CD2-CE2 4.41Å; L1071-F1157 HydrophobicContact CD2-CZ 4.11Å; L1071-I1180 HydrophobicContact CD1-CG2 3.98Å; L1071-I1180 HydrophobicContact CD2-CG2 3.89Å; L1071-L1181 HydrophobicContact CB-CD1 4.31Å; L1071-L1181 HydrophobicContact CD1-CD1 4.4Å; L1071-Q1184 HydrophobicContact CD1-CB 4.03Å; L1071-Q1184 HydrophobicContact CD1-CG 4.15Å
1072L91.6Very high92.8Very high15 Ų158.8 Ų8.88%0.0794%0.043CC..Hα-helixtrans-59.2-50.6174.7-74.7168.6000111.9L1003 L1015 F1016 R1068 H1069 C1074 M1075 W1076L1003-L1072 HydrophobicContact CD2-CD2 4.41Å; L1015-L1072 HydrophobicContact CD1-CD2 4.26Å; L1015-L1072 HydrophobicContact CD1-CG 4.32Å; L1015-L1072 HydrophobicContact CD2-CD2 4.16Å; L1015-L1072 HydrophobicContact CG-CD2 3.8Å; L1015-L1072 HydrophobicContact CG-CG 4.38Å; F1016-L1072 HydrophobicContact CD1-CD2 3.28Å; F1016-L1072 HydrophobicContact CE1-CD2 3.4Å; F1016-L1072 HydrophobicContact CG-CD2 4.09Å; F1016-L1072 HydrophobicContact CZ-CD2 4.28Å; R1068-L1072 HydrophobicContact CG-CD1 4.1Å; R1068-L1072 HydrophobicContact CG-CG 4.48Å; R1068-L1072 WeakPolarHBondContact O-CG 3.32Å; R1068-L1072 PolarHBondContact O-N 3.48Å; H1069-L1072 PolarHBondContact O-N 3.36Å; L1072-C1074 VanDerWaalsContact C-N 3.33Å; L1072-C1074 PolarHBondContact O-N 3.21Å; L1072-M1075 PolarHBondContact O-N 2.97Å; L1072-W1076 WeakPolarHBondContact O-CB 3.47Å; L1072-W1076 PolarHBondContact O-N 3.4Å
1073D90.3Very high92.7Very high28 Ų2812.9 Ų12.915%0.156%0.061CC..Hα-helixtrans-61.5-41.5177.8-83.7-13.5000111.3N199 H1069 W1076 E1077N199-D1073 PolarHBondContact ND2-OD2 3.08Å; H1069-D1073 IonicContact CD2-OD2 3.22Å; H1069-D1073 IonicContact CE1-OD2 2.85Å; H1069-D1073 IonicContact NE2-OD1 2.66Å; H1069-D1073 IonicContact NE2-OD2 2.73Å; H1069-D1073 PolarHBondContact NE2-OD2 3.47Å; H1069-D1073 PolarHBondContact O-N 3.31Å; D1073-W1076 PolarHBondContact O-N 3.08Å; D1073-E1077 WeakPolarHBondContact O-CB 3.46Å; D1073-E1077 PolarHBondContact O-N 2.88Å
1074C92.5Very high92.5Very high7 Ų712.9 Ų12.95%0.0476%0.061CC..Hα-helixtrans-67.8-39.9178.5-1690000112.6R1070 L1071 L1072 C1078 L1181 Q1184R1070-C1074 WeakPolarHBondContact O-CB 3.4Å; R1070-C1074 PolarHBondContact O-N 2.86Å; L1071-C1074 PolarHBondContact O-N 2.63Å; L1072-C1074 VanDerWaalsContact C-N 3.33Å; L1072-C1074 PolarHBondContact O-N 3.21Å; C1074-C1078 WeakPolarHBondContact O-CB 3.48Å; C1074-C1078 PolarHBondContact O-N 3.17Å; C1074-C1078 PolarHBondContact O-SG 3.09Å; C1074-L1181 HydrophobicContact CB-CD1 4.36Å; C1074-Q1184 HydrophobicContact CB-CG 4.44Å
1075M92.7Very high92.5Very high0 Ų013.1 Ų13.10%06%0.062CC..Hα-helixtrans-68.7-37174.7-75.9176.771.800112.8Y1007 I1011 L1015 F1016 L1071 L1072 C1078 E1079 L1144 Q1184Y1007-M1075 HydrophobicContact CD1-CE 3.65Å; Y1007-M1075 HydrophobicContact CD2-CE 4.41Å; Y1007-M1075 HydrophobicContact CE1-CE 3.37Å; Y1007-M1075 HydrophobicContact CE2-CE 4.17Å; Y1007-M1075 HydrophobicContact CG-CE 4.17Å; Y1007-M1075 PolarHBondContact OH-O 3.3Å; I1011-M1075 HydrophobicContact CG2-CE 3.97Å; L1015-M1075 HydrophobicContact CD2-CE 3.96Å; L1015-M1075 HydrophobicContact CD2-SD 3.23Å; L1015-M1075 WeakPolarHBondContact CD2-SD 3.27Å; F1016-M1075 HydrophobicContact CE2-CE 3.87Å; F1016-M1075 HydrophobicContact CZ-CE 3.88Å; F1016-M1075 HydrophobicContact CZ-SD 4.48Å; L1071-M1075 HydrophobicContact CD1-CG 4.13Å; L1071-M1075 HydrophobicContact CD1-SD 4.13Å; L1071-M1075 HydrophobicContact CG-CG 4.41Å; L1071-M1075 HydrophobicContact CG-SD 3.95Å; L1071-M1075 WeakPolarHBondContact O-CB 3.3Å; L1071-M1075 VanDerWaalsContact O-CG 3.27Å; L1071-M1075 WeakPolarHBondContact O-CG 3.48Å; L1071-M1075 PolarHBondContact O-N 3.21Å; L1072-M1075 PolarHBondContact O-N 2.97Å; M1075-C1078 PolarHBondContact O-N 2.92Å; M1075-E1079 PolarHBondContact O-N 3.43Å; M1075-L1144 HydrophobicContact CE-CD1 3.74Å; M1075-L1144 HydrophobicContact CG-CD1 3.97Å; M1075-L1144 HydrophobicContact SD-CD1 3.49Å; M1075-L1144 WeakPolarHBondContact SD-CD1 3.34Å; M1075-Q1184 HydrophobicContact CG-CG 3.99Å
1076W90.4Very high92.5Very high15 Ų1513.7 Ų13.76%0.0576%0.064CC..Hα-helixtrans-66.6-43.8174.6-179.3-119.4000111.6Q200 W1000 L1003 L1072 D1073 C1078 E1079 I1080Q200-W1076 HydrophobicContact CG-CG 4.28Å; Q200-W1076 PolarHBondContact O-NE1 3.14Å; W1000-W1076 AromaticContact CH2-CZ2 3.75Å; W1000-W1076 HydrophobicContact CH2-CZ2 3.75Å; W1000-W1076 AromaticContact CZ2-CZ2 3.79Å; W1000-W1076 HydrophobicContact CZ2-CZ2 3.79Å; L1003-W1076 HydrophobicContact CD1-CB 3.96Å; L1003-W1076 HydrophobicContact CD1-CD2 3.73Å; L1003-W1076 HydrophobicContact CD1-CE3 3.51Å; L1003-W1076 HydrophobicContact CD1-CG 3.94Å; L1003-W1076 HydrophobicContact CD1-CZ3 4.24Å; L1072-W1076 WeakPolarHBondContact O-CB 3.47Å; L1072-W1076 PolarHBondContact O-N 3.4Å; D1073-W1076 PolarHBondContact O-N 3.08Å; W1076-C1078 VanDerWaalsContact C-N 3.31Å; W1076-C1078 PolarHBondContact O-N 3.46Å; W1076-E1079 HydrophobicContact CE3-CB 4.33Å; W1076-E1079 HydrophobicContact CE3-CG 4.49Å; W1076-E1079 HydrophobicContact CZ3-CG 4.39Å; W1076-E1079 PolarHBondContact O-N 3.19Å; W1076-E1079 VanDerWaalsContact O-N 3.13Å; W1076-I1080 HydrophobicContact CD2-CD1 4.3Å; W1076-I1080 HydrophobicContact CG-CD1 4.39Å; W1076-I1080 HydrophobicContact CZ2-CD1 4.28Å; W1076-I1080 HydrophobicContact CZ2-CG1 4.47Å; W1076-I1080 PolarHBondContact O-N 3.06Å; W1076-I1080 VanDerWaalsContact O-N 3.13Å
1077E92Very high92.4Very high11 Ų1116 Ų165%0.0518%0.08CC..Hα-helixtrans-60.2-41.4172.6-171.6164.5-147.300111K206 W207 D1073 E1079 I1080 L1081 K1188K206-E1077 WeakPolarHBondContact CD-OE1 3.45Å; K206-E1077 VanDerWaalsContact CE-OE1 3.27Å; K206-E1077 WeakPolarHBondContact CE-OE1 3.34Å; K206-E1077 IonicContact NZ-OE1 3.6Å; K206-E1077 PolarHBondContact NZ-OE1 3.09Å; K206-E1077 IonicContact NZ-OE2 3.5Å; W207-E1077 PolarHBondContact NE1-OE1 2.78Å; D1073-E1077 WeakPolarHBondContact O-CB 3.46Å; D1073-E1077 PolarHBondContact O-N 2.88Å; E1077-E1079 PolarHBondContact O-N 3.4Å; E1077-I1080 PolarHBondContact O-N 3.21Å; E1077-L1081 HydrophobicContact CG-CD1 3.87Å; E1077-L1081 HydrophobicContact CG-CG 4.45Å; E1077-L1081 VanDerWaalsContact O-CB 3.32Å; E1077-L1081 WeakPolarHBondContact O-CB 3.46Å; E1077-L1081 WeakPolarHBondContact O-CD1 3.34Å; E1077-L1081 WeakPolarHBondContact O-CG 3.43Å; E1077-L1081 PolarHBondContact O-N 2.92Å; E1077-K1188 HydrophobicContact CB-CD 4.12Å; E1077-K1188 HydrophobicContact CG-CD 3.9Å; E1077-K1188 HydrophobicContact CG-CG 4.37Å; E1077-K1188 VanDerWaalsContact OE2-CD 3.25Å; E1077-K1188 WeakPolarHBondContact OE2-CD 3.46Å; E1077-K1188 IonicContact OE2-NZ 2.69Å; E1077-K1188 PolarHBondContact OE2-NZ 3.45Å
1078C94.1Very high92Very high1 Ų115.9 Ų15.91%0.0078%0.08CC..Hα-helixtrans-63.2-34.4172.8-69.40000114C1074 M1075 W1076 S1082 Q1184 K1188 L1191C1074-C1078 WeakPolarHBondContact O-CB 3.48Å; C1074-C1078 PolarHBondContact O-N 3.17Å; C1074-C1078 PolarHBondContact O-SG 3.09Å; M1075-C1078 PolarHBondContact O-N 2.92Å; W1076-C1078 VanDerWaalsContact C-N 3.31Å; W1076-C1078 PolarHBondContact O-N 3.46Å; C1078-S1082 VanDerWaalsContact O-CB 3.22Å; C1078-S1082 WeakPolarHBondContact O-CB 3.21Å; C1078-S1082 PolarHBondContact O-N 3.35Å; C1078-S1082 PolarHBondContact O-OG 3.48Å; C1078-Q1184 PolarHBondContact SG-NE2 3.32Å; C1078-K1188 VanDerWaalsContact SG-CB 3.51Å; C1078-L1191 HydrophobicContact CB-CD1 4.39Å
1079E93Very high91.8Very high2 Ų215.3 Ų15.31%0.0098%0.078CC..Hα-helixtrans-67-43.9177.1175.5175.2159.500111.2S1006 Y1007 M1075 W1076 E1077 S1082 K1083 L1142S1006-E1079 VanDerWaalsContact CB-CD 3.43Å; S1006-E1079 WeakPolarHBondContact CB-OE1 3.43Å; S1006-E1079 PolarHBondContact OG-OE1 3.43Å; Y1007-E1079 HydrophobicContact CE2-CB 4.25Å; M1075-E1079 PolarHBondContact O-N 3.43Å; W1076-E1079 HydrophobicContact CE3-CB 4.33Å; W1076-E1079 HydrophobicContact CE3-CG 4.49Å; W1076-E1079 HydrophobicContact CZ3-CG 4.39Å; W1076-E1079 PolarHBondContact O-N 3.19Å; W1076-E1079 VanDerWaalsContact O-N 3.13Å; E1077-E1079 PolarHBondContact O-N 3.4Å; E1079-S1082 PolarHBondContact O-N 2.94Å; E1079-K1083 HydrophobicContact CG-CD 4.49Å; E1079-K1083 WeakPolarHBondContact O-CG 3.34Å; E1079-K1083 PolarHBondContact O-N 3.27Å; E1079-K1083 WeakPolarHBondContact OE1-CE 3.48Å; E1079-K1083 IonicContact OE1-NZ 3.67Å; E1079-K1083 PolarHBondContact OE1-NZ 3.27Å; E1079-L1142 HydrophobicContact CB-CD1 3.95Å; E1079-L1142 HydrophobicContact CG-CD1 3.82Å
1080I91.3Very high91.5Very high19 Ų1919 Ų1910%0.09710%0.098CC..Hα-helixtrans-63.6-48.7175.6-64.3158.3000110.2N203 M204 W207 W1076 E1077 S1082 K1083 L1084N203-I1080 HydrophobicContact CB-CD1 4.38Å; M204-I1080 HydrophobicContact CB-CD1 4.22Å; W207-I1080 HydrophobicContact CB-CG2 3.77Å; W207-I1080 HydrophobicContact CG-CG2 4.23Å; W1076-I1080 HydrophobicContact CD2-CD1 4.3Å; W1076-I1080 HydrophobicContact CG-CD1 4.39Å; W1076-I1080 HydrophobicContact CZ2-CD1 4.28Å; W1076-I1080 HydrophobicContact CZ2-CG1 4.47Å; W1076-I1080 PolarHBondContact O-N 3.06Å; W1076-I1080 VanDerWaalsContact O-N 3.13Å; E1077-I1080 PolarHBondContact O-N 3.21Å; I1080-S1082 VanDerWaalsContact C-N 3.34Å; I1080-S1082 PolarHBondContact O-N 2.87Å; I1080-K1083 PolarHBondContact O-N 2.9Å; I1080-L1084 PolarHBondContact O-N 3.26Å; I1080-L1084 VanDerWaalsContact O-N 3.1Å
1081L94.5Very high91Very high0 Ų021.8 Ų21.80%011%0.112CC..Hα-helixtrans-61.5-39.1177.6-73.4166.8000112.4W207 E1077 L1084 Y1085 K1188 L1191 I1192 I1195W207-L1081 HydrophobicContact CD2-CD2 3.79Å; W207-L1081 HydrophobicContact CE3-CD2 3.92Å; W207-L1081 HydrophobicContact CG-CD2 4.46Å; W207-L1081 HydrophobicContact CH2-CD2 3.94Å; W207-L1081 HydrophobicContact CZ2-CD2 3.79Å; W207-L1081 HydrophobicContact CZ3-CD2 4Å; E1077-L1081 HydrophobicContact CG-CD1 3.87Å; E1077-L1081 HydrophobicContact CG-CG 4.45Å; E1077-L1081 VanDerWaalsContact O-CB 3.32Å; E1077-L1081 WeakPolarHBondContact O-CB 3.46Å; E1077-L1081 WeakPolarHBondContact O-CD1 3.34Å; E1077-L1081 WeakPolarHBondContact O-CG 3.43Å; E1077-L1081 PolarHBondContact O-N 2.92Å; L1081-L1084 PolarHBondContact O-N 2.98Å; L1081-Y1085 WeakPolarHBondContact O-CB 3.33Å; L1081-Y1085 PolarHBondContact O-N 2.73Å; L1081-K1188 HydrophobicContact CD1-CG 3.68Å; L1081-L1191 HydrophobicContact CB-CB 3.97Å; L1081-L1191 HydrophobicContact CB-CD1 3.99Å; L1081-L1191 HydrophobicContact CB-CD2 4.45Å; L1081-L1191 HydrophobicContact CB-CG 4.37Å; L1081-L1191 HydrophobicContact CD1-CB 4.18Å; L1081-I1192 HydrophobicContact CD1-CD1 4.26Å; L1081-I1192 HydrophobicContact CD1-CG1 3.71Å; L1081-I1192 HydrophobicContact CD2-CG1 3.99Å; L1081-I1195 HydrophobicContact CB-CD1 4.15Å; L1081-I1195 HydrophobicContact CD2-CD1 3.55Å; L1081-I1195 HydrophobicContact CG-CD1 4.48Å; L1081-I1195 WeakPolarHBondContact O-CD1 3.35Å
1082S94.5Very high90.4Very high5 Ų522.7 Ų22.74%0.03512%0.117CC..Hα-helixtrans-63.1-44.4177.5-64.50000111.6C1078 E1079 I1080 L1084 Y1085 L1086C1078-S1082 VanDerWaalsContact O-CB 3.22Å; C1078-S1082 WeakPolarHBondContact O-CB 3.21Å; C1078-S1082 PolarHBondContact O-N 3.35Å; C1078-S1082 PolarHBondContact O-OG 3.48Å; E1079-S1082 PolarHBondContact O-N 2.94Å; I1080-S1082 VanDerWaalsContact C-N 3.34Å; I1080-S1082 PolarHBondContact O-N 2.87Å; S1082-L1084 VanDerWaalsContact C-N 3.3Å; S1082-L1084 PolarHBondContact O-N 2.94Å; S1082-Y1085 PolarHBondContact O-N 3.3Å; S1082-L1086 WeakPolarHBondContact O-CB 3.45Å; S1082-L1086 VanDerWaalsContact O-CG 3.27Å; S1082-L1086 WeakPolarHBondContact O-CG 3.42Å; S1082-L1086 PolarHBondContact O-N 3.37Å
1083K91.6Very high89.9Confident87 Ų8724.6 Ų24.638%0.37814%0.14SC..Hα-helixtrans-60.6-40.2175.3-66.8163.6-171.6168.10111.6E1079 I1080 S1087E1079-K1083 HydrophobicContact CG-CD 4.49Å; E1079-K1083 WeakPolarHBondContact O-CG 3.34Å; E1079-K1083 PolarHBondContact O-N 3.27Å; E1079-K1083 WeakPolarHBondContact OE1-CE 3.48Å; E1079-K1083 IonicContact OE1-NZ 3.67Å; E1079-K1083 PolarHBondContact OE1-NZ 3.27Å; I1080-K1083 PolarHBondContact O-N 2.9Å; K1083-S1087 WeakPolarHBondContact O-CB 3.29Å; K1083-S1087 PolarHBondContact O-N 3.05Å
1084L90.7Very high89.6Confident4 Ų423.6 Ų23.62%0.02113%0.134CC..Hα-helixtrans-68.3-46.2177.4-178.554.4000112.1W207 H211 I1080 L1081 S1082 L1086 S1087 I1088 I1195 F1199W207-L1084 HydrophobicContact CE3-CD2 4.45Å; H211-L1084 HydrophobicContact CB-CD1 4.38Å; I1080-L1084 PolarHBondContact O-N 3.26Å; I1080-L1084 VanDerWaalsContact O-N 3.1Å; L1081-L1084 PolarHBondContact O-N 2.98Å; S1082-L1084 VanDerWaalsContact C-N 3.3Å; S1082-L1084 PolarHBondContact O-N 2.94Å; L1084-L1086 PolarHBondContact O-N 3.32Å; L1084-S1087 WeakPolarHBondContact O-CB 3.29Å; L1084-S1087 PolarHBondContact O-N 3.28Å; L1084-I1088 HydrophobicContact CD1-CD1 3.97Å; L1084-I1088 HydrophobicContact CD1-CG1 4.39Å; L1084-I1088 HydrophobicContact CG-CD1 3.99Å; L1084-I1088 WeakPolarHBondContact O-CD1 3.28Å; L1084-I1088 VanDerWaalsContact O-CG1 3.3Å; L1084-I1088 WeakPolarHBondContact O-CG1 3.39Å; L1084-I1088 PolarHBondContact O-N 2.73Å; L1084-I1195 HydrophobicContact CB-CD1 4.17Å; L1084-I1195 HydrophobicContact CD2-CD1 4.13Å; L1084-I1195 HydrophobicContact CD2-CG2 3.77Å; L1084-I1195 HydrophobicContact CG-CD1 4.06Å; L1084-I1195 HydrophobicContact CG-CG1 4.38Å; L1084-I1195 HydrophobicContact CG-CG2 4.14Å; L1084-F1199 HydrophobicContact CD1-CE2 4.1Å; L1084-F1199 HydrophobicContact CD1-CZ 4.13Å; L1084-F1199 HydrophobicContact CD2-CE2 4.44Å; L1084-F1199 HydrophobicContact CG-CE2 4.47Å
1085Y94.2Very high89.2Confident5 Ų527.3 Ų27.32%0.0215%0.154CC..Hα-helixtrans-58.4-46.2175.2176.2-84.3000111.8L1081 S1082 I1088 S1089 H1098 L1099 L1191 A1194 F1261 F1262 S1263 I1264L1081-Y1085 WeakPolarHBondContact O-CB 3.33Å; L1081-Y1085 PolarHBondContact O-N 2.73Å; S1082-Y1085 PolarHBondContact O-N 3.3Å; Y1085-I1088 PolarHBondContact O-N 2.78Å; Y1085-S1089 WeakPolarHBondContact O-CB 3.38Å; Y1085-S1089 PolarHBondContact O-N 3.41Å; Y1085-H1098 PolarHBondContact OH-O 2.81Å; Y1085-H1098 VanDerWaalsContact OH-O 3.06Å; Y1085-L1099 HydrophobicContact CD1-CB 4Å; Y1085-L1099 HydrophobicContact CD1-CD1 4.03Å; Y1085-L1099 HydrophobicContact CD1-CD2 4.33Å; Y1085-L1099 HydrophobicContact CD1-CG 4.35Å; Y1085-L1099 HydrophobicContact CE1-CB 3.68Å; Y1085-L1099 HydrophobicContact CE1-CD1 4.16Å; Y1085-L1099 HydrophobicContact CE1-CG 4.41Å; Y1085-L1191 HydrophobicContact CD2-CD2 4.13Å; Y1085-L1191 HydrophobicContact CG-CD2 3.96Å; Y1085-A1194 HydrophobicContact CD2-CB 3.97Å; Y1085-A1194 HydrophobicContact CE2-CB 3.88Å; Y1085-F1261 HydrophobicContact CE1-CE2 4.3Å; Y1085-F1261 HydrophobicContact CE1-CZ 4.32Å; Y1085-F1261 HydrophobicContact CE2-CE2 4.08Å; Y1085-F1261 AromaticContact CZ-CE2 3.79Å; Y1085-F1261 AromaticContact CZ-CZ 3.91Å; Y1085-F1262 WeakPolarHBondContact CE2-O 3.21Å; Y1085-F1262 PolarHBondContact OH-O 3.12Å; Y1085-S1263 WeakPolarHBondContact OH-CA 3.5Å; Y1085-I1264 HydrophobicContact CD2-CD1 3.95Å; Y1085-I1264 HydrophobicContact CE2-CD1 3.65Å; Y1085-I1264 HydrophobicContact CE2-CG1 3.98Å; Y1085-I1264 PolarHBondContact OH-N 3.17Å
1086L93.3Very high89Confident21 Ų2128.7 Ų28.711%0.1116%0.161CC..Hα-helixtrans-64.9-39.7177.6-67174.5000111.7S1082 L1084 I1088 S1089 N1090 D1096 L1099S1082-L1086 WeakPolarHBondContact O-CB 3.45Å; S1082-L1086 VanDerWaalsContact O-CG 3.27Å; S1082-L1086 WeakPolarHBondContact O-CG 3.42Å; S1082-L1086 PolarHBondContact O-N 3.37Å; L1084-L1086 PolarHBondContact O-N 3.32Å; L1086-I1088 VanDerWaalsContact C-N 3.34Å; L1086-I1088 PolarHBondContact O-N 3.03Å; L1086-S1089 WeakPolarHBondContact O-CB 3.2Å; L1086-S1089 PolarHBondContact O-N 2.79Å; L1086-N1090 PolarHBondContact O-N 3.31Å; L1086-N1090 PolarHBondContact O-ND2 3Å; L1086-D1096 HydrophobicContact CD2-CB 3.75Å; L1086-L1099 HydrophobicContact CD1-CD2 4.1Å; L1086-L1099 HydrophobicContact CD2-CB 4.1Å; L1086-L1099 HydrophobicContact CD2-CD2 3.92Å; L1086-L1099 HydrophobicContact CG-CD2 3.9Å
1087S89.1Confident88.9Confident52 Ų5229.1 Ų29.136%0.36416%0.163SC..Hα-helixtrans-58.5-45.8173.2-171.70000111.8K1083 L1084 N1090 Q1091K1083-S1087 WeakPolarHBondContact O-CB 3.29Å; K1083-S1087 PolarHBondContact O-N 3.05Å; L1084-S1087 WeakPolarHBondContact O-CB 3.29Å; L1084-S1087 PolarHBondContact O-N 3.28Å; S1087-N1090 PolarHBondContact O-N 3.36Å; S1087-Q1091 WeakPolarHBondContact O-CG 3.32Å; S1087-Q1091 PolarHBondContact O-N 3.27Å
1088I86.9Confident88.9Confident4 Ų428.9 Ų28.92%0.02116%0.162CC..Hα-helixtrans-68-42.1179-66.3161.7000111.2L1084 Y1085 L1086 N1090 Q1091 M1092 I1195 A1198 F1199L1084-I1088 HydrophobicContact CD1-CD1 3.97Å; L1084-I1088 HydrophobicContact CD1-CG1 4.39Å; L1084-I1088 HydrophobicContact CG-CD1 3.99Å; L1084-I1088 WeakPolarHBondContact O-CD1 3.28Å; L1084-I1088 VanDerWaalsContact O-CG1 3.3Å; L1084-I1088 WeakPolarHBondContact O-CG1 3.39Å; L1084-I1088 PolarHBondContact O-N 2.73Å; Y1085-I1088 PolarHBondContact O-N 2.78Å; L1086-I1088 VanDerWaalsContact C-N 3.34Å; L1086-I1088 PolarHBondContact O-N 3.03Å; I1088-N1090 VanDerWaalsContact C-N 3.34Å; I1088-N1090 PolarHBondContact O-N 3.19Å; I1088-Q1091 CarbonylContact O-C 3.57Å; I1088-Q1091 PolarHBondContact O-N 3.33Å; I1088-M1092 HydrophobicContact CG2-CE 4.33Å; I1088-M1092 HydrophobicContact CG2-CG 4.33Å; I1088-M1092 HydrophobicContact CG2-SD 3.78Å; I1088-M1092 WeakPolarHBondContact O-CB 3.41Å; I1088-M1092 WeakPolarHBondContact O-CG 3.49Å; I1088-M1092 PolarHBondContact O-N 3Å; I1088-I1195 HydrophobicContact CD1-CB 4.39Å; I1088-I1195 HydrophobicContact CD1-CG1 4.08Å; I1088-I1195 HydrophobicContact CD1-CG2 4.06Å; I1088-A1198 HydrophobicContact CG2-CB 3.63Å; I1088-F1199 HydrophobicContact CD1-CD2 4.07Å; I1088-F1199 HydrophobicContact CD1-CE2 3.45Å; I1088-F1199 VanDerWaalsContact CD1-CE2 3.45Å; I1088-F1199 HydrophobicContact CD1-CZ 3.86Å; I1088-F1199 HydrophobicContact CG1-CE2 4.3Å; I1088-F1199 HydrophobicContact CG1-CZ 4.22Å
1089S87.4Confident88.8Confident0 Ų029 Ų290%016%0.163CC..Hα-helixtrans-53.7-51175-170.50000110.5Y1085 L1086 M1092 G1093 F1094 F1261Y1085-S1089 WeakPolarHBondContact O-CB 3.38Å; Y1085-S1089 PolarHBondContact O-N 3.41Å; L1086-S1089 WeakPolarHBondContact O-CB 3.2Å; L1086-S1089 PolarHBondContact O-N 2.79Å; S1089-M1092 CarbonylContact O-C 3.47Å; S1089-M1092 PolarHBondContact O-N 3.44Å; S1089-M1092 VanDerWaalsContact O-N 3.17Å; S1089-G1093 PolarHBondContact O-N 3.34Å; S1089-F1094 CarbonylContact C-O 3.21Å; S1089-F1094 PolarHBondContact O-N 3.21Å; S1089-F1094 VanDerWaalsContact O-O 3.13Å; S1089-F1094 VanDerWaalsContact OG-C 3.31Å; S1089-F1094 WeakPolarHBondContact OG-CB 3.32Å; S1089-F1094 PolarHBondContact OG-O 3.39Å; S1089-F1261 WeakPolarHBondContact OG-CZ 3.28Å
1090N85.7Confident88.7Confident95 Ų9529.5 Ų29.551%0.50817%0.165SC..Hα-helixtrans-66.1-37.8177.6-75.8-82.6000112.7L1086 S1087 I1088 M1092 G1093 D1096L1086-N1090 PolarHBondContact O-N 3.31Å; L1086-N1090 PolarHBondContact O-ND2 3Å; S1087-N1090 PolarHBondContact O-N 3.36Å; I1088-N1090 VanDerWaalsContact C-N 3.34Å; I1088-N1090 PolarHBondContact O-N 3.19Å; N1090-M1092 VanDerWaalsContact C-N 3.28Å; N1090-M1092 PolarHBondContact O-N 3.15Å; N1090-G1093 PolarHBondContact O-N 3.4Å; N1090-D1096 PolarHBondContact ND2-OD1 3.47Å
1091Q81.5Confident88.6Confident84 Ų8429.1 Ų29.139%0.39316%0.163SC..Hα-helixtrans-64.3-29.9172.5-75.9176.3-45.400113.3D214 S1087 I1088 Y1256D214-Q1091 PolarHBondContact OD2-NE2 2.72Å; S1087-Q1091 WeakPolarHBondContact O-CG 3.32Å; S1087-Q1091 PolarHBondContact O-N 3.27Å; I1088-Q1091 CarbonylContact O-C 3.57Å; I1088-Q1091 PolarHBondContact O-N 3.33Å; Q1091-Y1256 HydrophobicContact CB-CD2 4.18Å; Q1091-Y1256 HydrophobicContact CB-CE2 4.11Å
1092M81.5Confident88.4Confident22 Ų2235.6 Ų35.611%0.10819%0.187CC..Hα-helixtrans-85.1-11.7175.7-74174.5149.500113.6I1088 S1089 N1090 F1094 A1198 Y1256 A1260 F1261I1088-M1092 HydrophobicContact CG2-CE 4.33Å; I1088-M1092 HydrophobicContact CG2-CG 4.33Å; I1088-M1092 HydrophobicContact CG2-SD 3.78Å; I1088-M1092 WeakPolarHBondContact O-CB 3.41Å; I1088-M1092 WeakPolarHBondContact O-CG 3.49Å; I1088-M1092 PolarHBondContact O-N 3Å; S1089-M1092 CarbonylContact O-C 3.47Å; S1089-M1092 PolarHBondContact O-N 3.44Å; S1089-M1092 VanDerWaalsContact O-N 3.17Å; N1090-M1092 VanDerWaalsContact C-N 3.28Å; N1090-M1092 PolarHBondContact O-N 3.15Å; M1092-F1094 HydrophobicContact CB-CD2 3.66Å; M1092-F1094 HydrophobicContact CB-CE2 4.05Å; M1092-A1198 HydrophobicContact CE-CB 3.48Å; M1092-A1198 VanDerWaalsContact CE-CB 3.48Å; M1092-A1198 HydrophobicContact SD-CB 4.31Å; M1092-Y1256 HydrophobicContact CE-CD1 4.24Å; M1092-Y1256 HydrophobicContact CE-CG 4.36Å; M1092-Y1256 HydrophobicContact CG-CG 4.18Å; M1092-A1260 HydrophobicContact CE-CB 4.22Å; M1092-F1261 HydrophobicContact CE-CB 4.39Å; M1092-F1261 HydrophobicContact SD-CB 3.71Å; M1092-F1261 HydrophobicContact SD-CD2 3.72Å; M1092-F1261 HydrophobicContact SD-CG 4.04Å
1093G80Confident88.1Confident55 Ų5537.7 Ų37.757%0.56720%0.201SC*.THydrogen-bonded Turntrans88.118.4-177.100000115.3S1089 N1090S1089-G1093 PolarHBondContact O-N 3.34Å; N1090-G1093 PolarHBondContact O-N 3.4Å
1094F84.3Confident87.7Confident6 Ų634.9 Ų34.93%0.02619%0.192CC..  trans-106.3140.1177-64.1-77.5000112.1S1089 M1092 H1098 I1124 H1128 P1258 F1261S1089-F1094 CarbonylContact C-O 3.21Å; S1089-F1094 PolarHBondContact O-N 3.21Å; S1089-F1094 VanDerWaalsContact O-O 3.13Å; S1089-F1094 VanDerWaalsContact OG-C 3.31Å; S1089-F1094 WeakPolarHBondContact OG-CB 3.32Å; S1089-F1094 PolarHBondContact OG-O 3.39Å; M1092-F1094 HydrophobicContact CB-CD2 3.66Å; M1092-F1094 HydrophobicContact CB-CE2 4.05Å; F1094-H1098 AromaticContact CD1-NE2 3.81Å; F1094-I1124 HydrophobicContact CE1-CG1 3.97Å; F1094-I1124 HydrophobicContact CZ-CG1 4.29Å; F1094-I1124 HydrophobicContact CZ-CG2 4.03Å; F1094-H1128 AromaticContact CD1-CE1 3.87Å; F1094-H1128 AromaticContact CE1-CE1 3.31Å; F1094-H1128 WeakPolarHBondContact CE1-CE1 3.24Å; F1094-H1128 AromaticContact CE1-NE2 3.56Å; F1094-H1128 AromaticContact CZ-CE1 3.94Å; F1094-H1128 AromaticContact CZ-NE2 3.79Å; F1094-P1258 HydrophobicContact CE2-CB 4.15Å; F1094-P1258 HydrophobicContact CZ-CB 4.12Å; F1094-F1261 HydrophobicContact CB-CD1 3.88Å; F1094-F1261 HydrophobicContact CB-CE1 3.41Å; F1094-F1261 VanDerWaalsContact CB-CE1 3.41Å; F1094-F1261 HydrophobicContact CB-CZ 3.8Å; F1094-F1261 AromaticContact CD1-CD1 3.79Å; F1094-F1261 HydrophobicContact CD1-CD1 3.79Å; F1094-F1261 AromaticContact CD1-CE1 3.92Å; F1094-F1261 HydrophobicContact CD1-CE1 3.92Å; F1094-F1261 HydrophobicContact CD2-CB 3.88Å; F1094-F1261 AromaticContact CD2-CD1 3.22Å; F1094-F1261 HydrophobicContact CD2-CD1 3.22Å; F1094-F1261 HydrophobicContact CD2-CD2 4.24Å; F1094-F1261 AromaticContact CD2-CE1 3.74Å; F1094-F1261 HydrophobicContact CD2-CE1 3.74Å; F1094-F1261 AromaticContact CD2-CG 3.54Å; F1094-F1261 HydrophobicContact CD2-CG 3.54Å; F1094-F1261 HydrophobicContact CD2-CZ 4.42Å; F1094-F1261 HydrophobicContact CE1-CD1 4.09Å; F1094-F1261 HydrophobicContact CE2-CB 3.58Å; F1094-F1261 AromaticContact CE2-CD1 3.57Å; F1094-F1261 HydrophobicContact CE2-CD1 3.57Å; F1094-F1261 HydrophobicContact CE2-CE1 4.47Å; F1094-F1261 AromaticContact CE2-CG 3.77Å; F1094-F1261 HydrophobicContact CE2-CG 3.77Å; F1094-F1261 AromaticContact CG-CD1 3.35Å; F1094-F1261 HydrophobicContact CG-CD1 3.35Å; F1094-F1261 AromaticContact CG-CE1 3.43Å; F1094-F1261 HydrophobicContact CG-CE1 3.43Å; F1094-F1261 VanDerWaalsContact CG-CE1 3.43Å; F1094-F1261 HydrophobicContact CG-CG 4.13Å; F1094-F1261 HydrophobicContact CG-CZ 4.22Å; F1094-F1261 HydrophobicContact CZ-CB 4.29Å; F1094-F1261 AromaticContact CZ-CD1 4Å; F1094-F1261 HydrophobicContact CZ-CD1 4Å
1095N85.5Confident87.5Confident86 Ų8636.2 Ų36.246%0.4620%0.199SC..  trans-76.8152.8-174.9-61.6-58.8000114F1097 H1098N1095-F1097 HydrophobicContact CB-CD1 3.71Å; N1095-F1097 HydrophobicContact CB-CE1 3.37Å; N1095-F1097 HydrophobicContact CB-CE2 4.21Å; N1095-F1097 HydrophobicContact CB-CG 4.29Å; N1095-F1097 HydrophobicContact CB-CZ 3.66Å; N1095-F1097 PolarHBondContact O-N 2.92Å; N1095-H1098 PolarHBondContact O-CD2 2.84Å; N1095-H1098 VanDerWaalsContact O-CD2 3.25Å; N1095-H1098 PolarHBondContact O-N 3.49Å; N1095-H1098 VanDerWaalsContact O-N 3.15Å
1096D88Confident87.1Confident29 Ų2936.2 Ų36.216%0.15520%0.199CC..G310 helixtrans-53.8-27.4-176.8-69-2.2000115.5L1086 N1090 H1098 L1099 L1138L1086-D1096 HydrophobicContact CD2-CB 3.75Å; N1090-D1096 PolarHBondContact ND2-OD1 3.47Å; D1096-H1098 PolarHBondContact O-N 3.3Å; D1096-H1098 VanDerWaalsContact O-N 3.14Å; D1096-L1099 PolarHBondContact O-N 3.14Å; D1096-L1138 HydrophobicContact CB-CD1 3.68Å
1097F88.6Confident86.6Confident23 Ų2340.2 Ų40.210%0.10122%0.217CC..G310 helixtrans-61.7-21.5-179.655.3-115.3000113.6N1095 L1099 F1100 L1134 K1136 Q1265N1095-F1097 HydrophobicContact CB-CD1 3.71Å; N1095-F1097 HydrophobicContact CB-CE1 3.37Å; N1095-F1097 HydrophobicContact CB-CE2 4.21Å; N1095-F1097 HydrophobicContact CB-CG 4.29Å; N1095-F1097 HydrophobicContact CB-CZ 3.66Å; N1095-F1097 PolarHBondContact O-N 2.92Å; F1097-L1099 PolarHBondContact O-N 3.5Å; F1097-F1100 PolarHBondContact O-N 2.96Å; F1097-L1134 HydrophobicContact CE2-CB 4Å; F1097-L1134 HydrophobicContact CE2-CD1 4.03Å; F1097-L1134 HydrophobicContact CE2-CD2 4.22Å; F1097-L1134 HydrophobicContact CE2-CG 4.3Å; F1097-K1136 HydrophobicContact CD1-CB 4.16Å; F1097-K1136 HydrophobicContact CD1-CG 4.13Å; F1097-K1136 HydrophobicContact CE1-CB 4.37Å; F1097-K1136 HydrophobicContact CE1-CD 4.19Å; F1097-K1136 HydrophobicContact CE1-CG 3.88Å; F1097-K1136 HydrophobicContact CZ-CG 4.16Å; F1097-Q1265 PolarHBondContact O-NE2 3.3Å; F1097-Q1265 VanDerWaalsContact O-NE2 3.11Å
1098H90.7Very high86.2Confident7 Ų741.2 Ų41.23%0.03222%0.224CC..G310 helixtrans-61.8-12.9176.7-78.3-77000114.7Y1085 F1094 N1095 D1096 L1134 F1261 S1263 I1264 Q1265Y1085-H1098 PolarHBondContact OH-O 2.81Å; Y1085-H1098 VanDerWaalsContact OH-O 3.06Å; F1094-H1098 AromaticContact CD1-NE2 3.81Å; N1095-H1098 PolarHBondContact O-CD2 2.84Å; N1095-H1098 VanDerWaalsContact O-CD2 3.25Å; N1095-H1098 PolarHBondContact O-N 3.49Å; N1095-H1098 VanDerWaalsContact O-N 3.15Å; D1096-H1098 PolarHBondContact O-N 3.3Å; D1096-H1098 VanDerWaalsContact O-N 3.14Å; H1098-L1134 WeakPolarHBondContact CE1-CD2 3.41Å; H1098-F1261 HydrophobicContact CB-CE1 3.83Å; H1098-F1261 HydrophobicContact CB-CZ 3.74Å; H1098-F1261 AromaticContact CD2-CE1 3.9Å; H1098-F1261 AromaticContact CG-CE1 3.71Å; H1098-S1263 WeakPolarHBondContact CB-OG 3.48Å; H1098-S1263 PolarHBondContact ND1-OG 3.29Å; H1098-S1263 PolarHBondContact O-OG 3.48Å; H1098-I1264 PolarHBondContact O-N 3.34Å; H1098-Q1265 WeakPolarHBondContact O-CB 3.35Å; H1098-Q1265 PolarHBondContact O-N 3.02Å
1099L92.4Very high86.1Confident2 Ų242 Ų421%0.0123%0.231CC..G310 helixtrans-82-31.6173.3177.854.7000113.1Y1085 L1086 D1096 F1097 L1191 I1264Y1085-L1099 HydrophobicContact CD1-CB 4Å; Y1085-L1099 HydrophobicContact CD1-CD1 4.03Å; Y1085-L1099 HydrophobicContact CD1-CD2 4.33Å; Y1085-L1099 HydrophobicContact CD1-CG 4.35Å; Y1085-L1099 HydrophobicContact CE1-CB 3.68Å; Y1085-L1099 HydrophobicContact CE1-CD1 4.16Å; Y1085-L1099 HydrophobicContact CE1-CG 4.41Å; L1086-L1099 HydrophobicContact CD1-CD2 4.1Å; L1086-L1099 HydrophobicContact CD2-CB 4.1Å; L1086-L1099 HydrophobicContact CD2-CD2 3.92Å; L1086-L1099 HydrophobicContact CG-CD2 3.9Å; D1096-L1099 PolarHBondContact O-N 3.14Å; F1097-L1099 PolarHBondContact O-N 3.5Å; L1099-L1191 HydrophobicContact CD1-CD2 3.82Å; L1099-I1264 HydrophobicContact CD1-CD1 3.66Å
1100F91.6Very high85.8Confident14 Ų1450.6 Ų50.66%0.06127%0.268CS..  trans-111.1146.9-160-59.8-71.8000113.2F1097 Y1137 L1138 P1139 L1142 P1143 Q1265F1097-F1100 PolarHBondContact O-N 2.96Å; F1100-Y1137 HydrophobicContact CB-CD1 4.15Å; F1100-L1138 HydrophobicContact CD2-CD1 3.9Å; F1100-L1138 HydrophobicContact CE2-CD1 3.72Å; F1100-P1139 HydrophobicContact CB-CG 4.5Å; F1100-P1139 HydrophobicContact CD1-CG 3.56Å; F1100-P1139 HydrophobicContact CD2-CG 4.16Å; F1100-P1139 HydrophobicContact CE1-CG 3.66Å; F1100-P1139 HydrophobicContact CE2-CG 4.25Å; F1100-P1139 VanDerWaalsContact CG-CD 3.49Å; F1100-P1139 HydrophobicContact CG-CG 3.81Å; F1100-P1139 HydrophobicContact CZ-CG 4Å; F1100-L1142 HydrophobicContact CE1-CD2 3.96Å; F1100-L1142 HydrophobicContact CZ-CD2 4.03Å; F1100-P1143 HydrophobicContact CD1-CG 4.32Å; F1100-Q1265 WeakPolarHBondContact O-CG 3.46Å; F1100-Q1265 PolarHBondContact O-NE2 3.12Å
1101I89.1Confident85.7Confident10 Ų1051.3 Ų51.35%0.05126%0.264CS..  trans-113.8138.3166.6-79.2-178000109.5P1103 E1148 Q1265 K1268I1101-P1103 WeakPolarHBondContact O-CD 3.49Å; I1101-E1148 HydrophobicContact CB-CG 4.31Å; I1101-E1148 HydrophobicContact CG2-CB 4.29Å; I1101-Q1265 HydrophobicContact CG1-CB 4.44Å; I1101-Q1265 HydrophobicContact CG1-CG 4.05Å; I1101-K1268 HydrophobicContact CD1-CB 3.41Å; I1101-K1268 VanDerWaalsContact CD1-CB 3.41Å; I1101-K1268 HydrophobicContact CD1-CD 4.11Å; I1101-K1268 HydrophobicContact CD1-CG 4.44Å
1102R89.3Confident85.8Confident136 Ų13651.4 Ų51.451%0.51326%0.263SS..  trans-63.2125.2170.5-175.8-168.2-54.9-131.7-1.9110.1S1104 D1135 Y1137 R1272R1102-S1104 PolarHBondContact O-N 3.13Å; R1102-D1135 WeakPolarHBondContact CB-OD2 3.46Å; R1102-D1135 IonicContact CZ-OD1 3.28Å; R1102-D1135 IonicContact CZ-OD2 3.52Å; R1102-D1135 IonicContact NE-OD1 2.65Å; R1102-D1135 PolarHBondContact NE-OD1 3.42Å; R1102-D1135 IonicContact NE-OD2 2.69Å; R1102-D1135 PolarHBondContact NE-OD2 3.24Å; R1102-D1135 IonicContact NH2-OD1 3.81Å; R1102-D1135 PolarHBondContact NH2-OD1 2.91Å; R1102-D1135 IonicContact NH2-OD2 3.89Å; R1102-D1135 PolarHBondContact NH2-OD2 3.31Å; R1102-Y1137 HydrophobicContact CB-CD1 4.22Å; R1102-Y1137 HydrophobicContact CB-CD2 4.38Å; R1102-Y1137 HydrophobicContact CB-CG 4.04Å; R1102-Y1137 HydrophobicContact CG-CD2 4.35Å; R1102-Y1137 HydrophobicContact CG-CG 4.5Å; R1102-R1272 PolarHBondContact O-NH1 3.39Å
1103P87.9Confident85.8Confident49 Ų4958.5 Ų58.532%0.31830%0.296SS..  trans-48.3132.8174.2-33.138.7000113.3I1101 H1147I1101-P1103 WeakPolarHBondContact O-CD 3.49Å; P1103-H1147 VanDerWaalsContact CB-O 3.31Å; P1103-H1147 WeakPolarHBondContact CB-O 3.49Å
1104S84.7Confident85.6Confident28 Ų2858 Ų5820%0.19629%0.292CS..  trans-143.292.6-179.51750000110.4R1102 E1148R1102-S1104 PolarHBondContact O-N 3.13Å; S1104-E1148 PolarHBondContact N-O 2.67Å
1105Q86.2Confident85.2Confident33 Ų3358.1 Ų58.115%0.15429%0.293CS..  trans-61.8141.2179-51.3-62.6-54.200110.8E1107 S1108 A1109 T1152Q1105-E1107 VanDerWaalsContact C-N 3.28Å; Q1105-E1107 PolarHBondContact O-N 3.23Å; Q1105-S1108 PolarHBondContact N-OG 3.24Å; Q1105-S1108 CarbonylContact O-C 3.55Å; Q1105-S1108 WeakPolarHBondContact O-CA 3.31Å; Q1105-S1108 PolarHBondContact O-N 3.2Å; Q1105-S1108 PolarHBondContact O-OG 2.92Å; Q1105-A1109 PolarHBondContact O-N 3.48Å; Q1105-T1152 HydrophobicContact CG-CG2 4.43Å; Q1105-T1152 PolarHBondContact OE1-OG1 2.91Å
1106F85.3Confident84.6Confident5 Ų560 Ų602%0.02230%0.299CS..G310 helixtrans-49.5-43.4177.8-77.4-87.8000113.9S1108 A1109 L1149 D1150 V1275 F1279 K1301 F1304 I1305F1106-S1108 PolarHBondContact O-N 2.99Å; F1106-A1109 WeakPolarHBondContact O-CB 3.42Å; F1106-A1109 PolarHBondContact O-N 3.42Å; F1106-L1149 HydrophobicContact CE2-CB 4.4Å; F1106-D1150 HydrophobicContact CD2-CB 4.3Å; F1106-D1150 HydrophobicContact CE2-CB 4.39Å; F1106-V1275 HydrophobicContact CE1-CG1 3.92Å; F1106-V1275 HydrophobicContact CZ-CG1 4.02Å; F1106-F1279 HydrophobicContact CB-CD1 4Å; F1106-F1279 HydrophobicContact CB-CE1 3.85Å; F1106-F1279 HydrophobicContact CB-CG 4.41Å; F1106-F1279 HydrophobicContact CB-CZ 4.14Å; F1106-F1279 HydrophobicContact CD1-CB 3.68Å; F1106-F1279 AromaticContact CD1-CD1 3.89Å; F1106-F1279 HydrophobicContact CD1-CD1 3.89Å; F1106-F1279 AromaticContact CD1-CD2 3.9Å; F1106-F1279 HydrophobicContact CD1-CD2 3.9Å; F1106-F1279 HydrophobicContact CD1-CE1 4.5Å; F1106-F1279 AromaticContact CD1-CG 3.56Å; F1106-F1279 HydrophobicContact CD1-CG 3.56Å; F1106-F1279 HydrophobicContact CE1-CB 4Å; F1106-F1279 HydrophobicContact CE1-CD2 4.45Å; F1106-F1279 HydrophobicContact CE1-CG 4.26Å; F1106-F1279 HydrophobicContact CG-CD1 4.43Å; F1106-F1279 HydrophobicContact CG-CG 4.38Å; F1106-K1301 HydrophobicContact CD2-CD 3.98Å; F1106-K1301 HydrophobicContact CD2-CG 3.95Å; F1106-K1301 HydrophobicContact CE2-CG 4.23Å; F1106-K1301 HydrophobicContact CG-CD 4.45Å; F1106-K1301 HydrophobicContact CG-CG 4.22Å; F1106-F1304 HydrophobicContact CE1-CB 4.27Å; F1106-F1304 HydrophobicContact CZ-CB 4.35Å; F1106-I1305 HydrophobicContact CE2-CD1 4.02Å; F1106-I1305 HydrophobicContact CE2-CG1 3.92Å; F1106-I1305 HydrophobicContact CZ-CD1 4.49Å; F1106-I1305 HydrophobicContact CZ-CG1 3.94Å
1107E82.3Confident83.6Confident104 Ų10467 Ų6749%0.48633%0.331SS..G310 helixtrans-68.1-18.1178.3-67.885166.400113.9Q1105 Q1153 K1301Q1105-E1107 VanDerWaalsContact C-N 3.28Å; Q1105-E1107 PolarHBondContact O-N 3.23Å; E1107-Q1153 PolarHBondContact OE1-NE2 3.08Å; E1107-K1301 WeakPolarHBondContact OE1-CE 3.4Å; E1107-K1301 IonicContact OE1-NZ 3.97Å; E1107-K1301 PolarHBondContact OE1-NZ 3.01Å; E1107-K1301 WeakPolarHBondContact OE2-CE 3.33Å; E1107-K1301 IonicContact OE2-NZ 3.45Å; E1107-K1301 PolarHBondContact OE2-NZ 2.76Å
1108S82Confident82.5Confident74 Ų7470.6 Ų70.652%0.51735%0.35SS..G310 helixtrans-103.8-6.8178.268.90000113.6Q1105 F1106 K1110Q1105-S1108 PolarHBondContact N-OG 3.24Å; Q1105-S1108 CarbonylContact O-C 3.55Å; Q1105-S1108 WeakPolarHBondContact O-CA 3.31Å; Q1105-S1108 PolarHBondContact O-N 3.2Å; Q1105-S1108 PolarHBondContact O-OG 2.92Å; F1106-S1108 PolarHBondContact O-N 2.99Å; S1108-K1110 PolarHBondContact O-N 3.13Å
1109A83.2Confident81.3Confident20 Ų2075.8 Ų75.817%0.16537%0.373CS..PPolyproline II helixtrans-66.4133.4-178.200000110.8Q1105 F1106 C1276 I1280Q1105-A1109 PolarHBondContact O-N 3.48Å; F1106-A1109 WeakPolarHBondContact O-CB 3.42Å; F1106-A1109 PolarHBondContact O-N 3.42Å; A1109-C1276 HydrophobicContact CB-CB 3.89Å; A1109-I1280 HydrophobicContact CB-CD1 4.29Å
1110K83.1Confident80Confident180 Ų18076.5 Ų76.578%0.78338%0.378SS*.PPolyproline II helixtrans-94.6140171.6-65-177.1-179.7-179.10109.1S1108 K1112S1108-K1110 PolarHBondContact O-N 3.13Å; K1110-K1112 PolarHBondContact O-N 3.46Å
1111Y83.2Confident78.5Confident110 Ų11078 Ų7843%0.43139%0.389SS..PPolyproline II helixtrans-60.5135.5172.6-170.4-102.3000110E1113 N1277 I1280 K1281Y1111-E1113 HydrophobicContact CD1-CG 4.29Å; Y1111-E1113 HydrophobicContact CE1-CG 3.96Å; Y1111-N1277 HydrophobicContact CD2-CB 4.21Å; Y1111-N1277 WeakPolarHBondContact CD2-OD1 3.34Å; Y1111-N1277 HydrophobicContact CE2-CB 3.94Å; Y1111-I1280 HydrophobicContact CD2-CB 4.44Å; Y1111-I1280 HydrophobicContact CD2-CG2 4.13Å; Y1111-K1281 HydrophobicContact CE2-CG 4.42Å
1112K82.9Confident77Confident86 Ų8682.4 Ų82.437%0.37441%0.411SS..  trans-121.4120.8-179.9-75.3172.6172176.80109.2K1110 V1115 D1273 N1277K1110-K1112 PolarHBondContact O-N 3.46Å; K1112-V1115 HydrophobicContact CB-CG2 3.4Å; K1112-V1115 VanDerWaalsContact CB-CG2 3.4Å; K1112-V1115 HydrophobicContact CD-CG2 4.28Å; K1112-V1115 WeakPolarHBondContact O-CG2 3.18Å; K1112-D1273 HydrophobicContact CD-CB 4.21Å; K1112-D1273 WeakPolarHBondContact CD-OD2 3.41Å; K1112-D1273 IonicContact NZ-OD1 3.54Å; K1112-D1273 PolarHBondContact NZ-OD1 2.91Å; K1112-D1273 IonicContact NZ-OD2 2.67Å; K1112-D1273 PolarHBondContact NZ-OD2 3.36Å; K1112-N1277 PolarHBondContact N-OD1 3.3Å; K1112-N1277 PolarHBondContact O-ND2 2.89Å
1113E81Confident75.8Confident171 Ų17181.1 Ų81.180%0.79941%0.407SS*.THydrogen-bonded Turntrans-72.1157.2176.6-68173.4179.300111.2Y1111 V1115Y1111-E1113 HydrophobicContact CD1-CG 4.29Å; Y1111-E1113 HydrophobicContact CE1-CG 3.96Å; E1113-V1115 PolarHBondContact O-N 3.38Å; E1113-V1115 VanDerWaalsContact O-N 3.13Å
1114G77.1Confident75Confident46 Ų4679.4 Ų79.447%0.47440%0.395SS..THydrogen-bonded Turntrans72.8-7179.100000117E1116 E1117 L1118G1114-E1116 VanDerWaalsContact C-N 3.31Å; G1114-E1116 PolarHBondContact O-N 3.43Å; G1114-E1117 PolarHBondContact O-N 2.9Å; G1114-L1118 PolarHBondContact O-N 2.96Å
1115V75.2Confident74.1Confident7 Ų779.3 Ų79.34%0.04239%0.393CS..THydrogen-bonded Turntrans-60.8-29.9-170.3167.70000115.4K1112 E1113 E1117 L1118 D1273 R1274 N1277K1112-V1115 HydrophobicContact CB-CG2 3.4Å; K1112-V1115 VanDerWaalsContact CB-CG2 3.4Å; K1112-V1115 HydrophobicContact CD-CG2 4.28Å; K1112-V1115 WeakPolarHBondContact O-CG2 3.18Å; E1113-V1115 PolarHBondContact O-N 3.38Å; E1113-V1115 VanDerWaalsContact O-N 3.13Å; V1115-E1117 PolarHBondContact O-N 3.08Å; V1115-L1118 WeakPolarHBondContact O-CB 3.36Å; V1115-L1118 PolarHBondContact O-N 3.42Å; V1115-D1273 HydrophobicContact CG1-CB 3.8Å; V1115-D1273 HydrophobicContact CG2-CB 4.24Å; V1115-R1274 HydrophobicContact CG1-CB 4.28Å; V1115-R1274 HydrophobicContact CG1-CG 3.72Å; V1115-R1274 VanDerWaalsContact CG1-N 3.34Å; V1115-N1277 WeakPolarHBondContact CB-ND2 3.25Å
1116E72Confident72.9Confident125 Ų12581.1 Ų81.158%0.58441%0.41SS*.THydrogen-bonded Turntrans-75.7-12.6178.7-75167.9-127.100113.2G1114 R1274 K1281G1114-E1116 VanDerWaalsContact C-N 3.31Å; G1114-E1116 PolarHBondContact O-N 3.43Å; E1116-R1274 HydrophobicContact CG-CG 4.46Å; E1116-K1281 IonicContact OE1-NZ 2.77Å; E1116-K1281 PolarHBondContact OE1-NZ 3.33Å; E1116-K1281 IonicContact OE2-NZ 2.78Å
1117E68.3Low71.8Confident177 Ų17781.4 Ų81.483%0.82741%0.412SS*.THydrogen-bonded Turntrans-99.1-8.5170.9-62.6178.7-176.100112.4G1114 V1115 K1119G1114-E1117 PolarHBondContact O-N 2.9Å; V1115-E1117 PolarHBondContact O-N 3.08Å; E1117-K1119 PolarHBondContact O-N 3.32Å
1118L65.5Low70.6Confident98 Ų9880.3 Ų80.351%0.51341%0.406SS..  trans-77.986-171.9-130.392.6000112.1G1114 V1115 P1270G1114-L1118 PolarHBondContact O-N 2.96Å; V1115-L1118 WeakPolarHBondContact O-CB 3.36Å; V1115-L1118 PolarHBondContact O-N 3.42Å; L1118-P1270 WeakPolarHBondContact O-CB 3.49Å
1119K65.2Low69.5Low116 Ų11682.8 Ų82.850%0.50441%0.414SS..PPolyproline II helixtrans-72.5147167.6-71.3-170.4174.9-178.30111.4E1117 L1406E1117-K1119 PolarHBondContact O-N 3.32Å; K1119-L1406 PolarHBondContact NZ-O 2.71Å
1120P63.9Low68.3Low18 Ų1886.5 Ų86.512%0.11743%0.431CS..PPolyproline II helixtrans-54.2147.2169.1-25.334.3000112.1E1267 P1270P1120-E1267 WeakPolarHBondContact CG-OE2 3.38Å; P1120-P1270 HydrophobicContact CG-CG 4.29Å
1121P60.2Low67.3Low45 Ų4580.8 Ų80.829%0.29241%0.409SS..PPolyproline II helixtrans-56.6139.9-173.419-30.6000112.7Y1123 I1127 L1266 R1404P1121-Y1123 VanDerWaalsContact C-N 3.28Å; P1121-Y1123 PolarHBondContact O-N 2.72Å; P1121-I1127 HydrophobicContact CB-CD1 4.24Å; P1121-I1127 HydrophobicContact CG-CD1 3.67Å; P1121-I1127 HydrophobicContact CG-CG1 4.44Å; P1121-L1266 HydrophobicContact CG-CD1 4.1Å; P1121-R1404 PolarHBondContact O-NH2 3.1Å
1122I58Low66.7Low102 Ų10280.2 Ų80.252%0.52342%0.421SS..SBendtrans-69.3-28.8-173.2-53.3179.7000111.6R1404I1122-R1404 HydrophobicContact CG2-CG 4.48Å; I1122-R1404 PolarHBondContact O-NE 2.73Å; I1122-R1404 VanDerWaalsContact O-NE 3.07Å; I1122-R1404 PolarHBondContact O-NH1 3.11Å; I1122-R1404 PolarHBondContact O-NH2 2.7Å
1123Y64.1Low66Low109 Ų10979.9 Ų79.943%0.42743%0.429SS..  trans-135.3122.2175.4-56.4-83.3000109.5P1121 T1125 S1126 F1401P1121-Y1123 VanDerWaalsContact C-N 3.28Å; P1121-Y1123 PolarHBondContact O-N 2.72Å; Y1123-T1125 PolarHBondContact O-N 2.91Å; Y1123-S1126 PolarHBondContact O-N 3.46Å; Y1123-S1126 VanDerWaalsContact O-N 3.12Å; Y1123-S1126 PolarHBondContact O-OG 3.4Å; Y1123-F1401 HydrophobicContact CD1-CD1 4.29Å; Y1123-F1401 AromaticContact CD1-CE1 3.6Å; Y1123-F1401 HydrophobicContact CD1-CE1 3.6Å; Y1123-F1401 AromaticContact CD1-CZ 3.99Å; Y1123-F1401 HydrophobicContact CD1-CZ 3.99Å; Y1123-F1401 AromaticContact CE1-CD1 3.79Å; Y1123-F1401 HydrophobicContact CE1-CD1 3.79Å; Y1123-F1401 AromaticContact CE1-CE1 3.46Å; Y1123-F1401 HydrophobicContact CE1-CE1 3.46Å; Y1123-F1401 VanDerWaalsContact CE1-CE1 3.46Å; Y1123-F1401 HydrophobicContact CE1-CE2 4.41Å; Y1123-F1401 HydrophobicContact CE1-CG 4.42Å; Y1123-F1401 AromaticContact CE1-CZ 3.81Å; Y1123-F1401 HydrophobicContact CE1-CZ 3.81Å
1124I71.1Confident65.7Low14 Ų1472.3 Ų72.37%0.07239%0.394CS..G310 helixtrans-64.9-27.7175.3-168.6147.7000111.8F1094 S1126 I1127 F1261 L1266F1094-I1124 HydrophobicContact CE1-CG1 3.97Å; F1094-I1124 HydrophobicContact CZ-CG1 4.29Å; F1094-I1124 HydrophobicContact CZ-CG2 4.03Å; I1124-S1126 VanDerWaalsContact C-N 3.27Å; I1124-S1126 PolarHBondContact O-N 3.13Å; I1124-I1127 HydrophobicContact CG1-CD1 4.24Å; I1124-I1127 WeakPolarHBondContact O-CB 3.35Å; I1124-I1127 WeakPolarHBondContact O-CG1 3.41Å; I1124-I1127 PolarHBondContact O-N 3.11Å; I1124-F1261 HydrophobicContact CD1-CD1 3.46Å; I1124-F1261 VanDerWaalsContact CD1-CD1 3.46Å; I1124-F1261 HydrophobicContact CD1-CE1 4.04Å; I1124-F1261 HydrophobicContact CD1-CG 4.39Å; I1124-F1261 HydrophobicContact CG1-CD1 4.36Å; I1124-L1266 HydrophobicContact CD1-CD1 4.27Å
1125T65.6Low65.9Low25 Ų2572.4 Ų72.415%0.15338%0.384CS..G310 helixtrans-71.2-14.3174.8440000114.5Y1123 I1127 P1258 E1259Y1123-T1125 PolarHBondContact O-N 2.91Å; T1125-I1127 PolarHBondContact O-N 3.12Å; T1125-P1258 HydrophobicContact CG2-CB 3.72Å; T1125-E1259 WeakPolarHBondContact CB-OE1 3.27Å; T1125-E1259 VanDerWaalsContact CG2-CD 3.44Å; T1125-E1259 HydrophobicContact CG2-CG 3.92Å; T1125-E1259 WeakPolarHBondContact CG2-OE1 3.39Å; T1125-E1259 VanDerWaalsContact OG1-CD 3.31Å; T1125-E1259 WeakPolarHBondContact OG1-CG 3.33Å; T1125-E1259 PolarHBondContact OG1-OE1 3.22Å
1126S61.6Low66.4Low71 Ų7177.8 Ų77.850%0.49741%0.407SS..G310 helixtrans-75.2-13.1171.267.40000113.6Y1123 I1124Y1123-S1126 PolarHBondContact O-N 3.46Å; Y1123-S1126 VanDerWaalsContact O-N 3.12Å; Y1123-S1126 PolarHBondContact O-OG 3.4Å; I1124-S1126 VanDerWaalsContact C-N 3.27Å; I1124-S1126 PolarHBondContact O-N 3.13Å
1127I63.3Low67.2Low12 Ų1275 Ų756%0.06239%0.391CS..SBendtrans-86.4-20.5-179.8-42.1174.2000111.2P1121 I1124 T1125 D1129 D1130 D1131 L1134 L1266P1121-I1127 HydrophobicContact CB-CD1 4.24Å; P1121-I1127 HydrophobicContact CG-CD1 3.67Å; P1121-I1127 HydrophobicContact CG-CG1 4.44Å; I1124-I1127 HydrophobicContact CG1-CD1 4.24Å; I1124-I1127 WeakPolarHBondContact O-CB 3.35Å; I1124-I1127 WeakPolarHBondContact O-CG1 3.41Å; I1124-I1127 PolarHBondContact O-N 3.11Å; T1125-I1127 PolarHBondContact O-N 3.12Å; I1127-D1129 PolarHBondContact O-N 2.89Å; I1127-D1129 VanDerWaalsContact O-N 3.09Å; I1127-D1130 WeakPolarHBondContact CG2-O 3.43Å; I1127-D1130 CarbonylContact O-C 3.58Å; I1127-D1130 PolarHBondContact O-N 2.76Å; I1127-D1131 PolarHBondContact O-N 3.37Å; I1127-L1134 HydrophobicContact CG2-CD1 3.53Å; I1127-L1134 HydrophobicContact CG2-CG 4.01Å; I1127-L1266 HydrophobicContact CD1-CD1 3.29Å
1128H56.5Low68.1Low81 Ų8170.3 Ų70.338%0.37537%0.372SS..THydrogen-bonded Turntrans-58.4-24.5176.9-72.3-52.1000114.1F1094F1094-H1128 AromaticContact CD1-CE1 3.87Å; F1094-H1128 AromaticContact CE1-CE1 3.31Å; F1094-H1128 WeakPolarHBondContact CE1-CE1 3.24Å; F1094-H1128 AromaticContact CE1-NE2 3.56Å; F1094-H1128 AromaticContact CZ-CE1 3.94Å; F1094-H1128 AromaticContact CZ-NE2 3.79Å
1129D58.1Low69.2Low125 Ų12566.7 Ų66.767%0.66835%0.354SS*.THydrogen-bonded Turntrans-96.6-12.5-178.1-57.4-11.4000111.5I1127 R1247I1127-D1129 PolarHBondContact O-N 2.89Å; I1127-D1129 VanDerWaalsContact O-N 3.09Å; D1129-R1247 IonicContact OD1-NH1 2.76Å; D1129-R1247 PolarHBondContact OD1-NH1 3.04Å; D1129-R1247 IonicContact OD1-NH2 3.65Å
1130D58.2Low70.2Confident99 Ų9966 Ų6653%0.52936%0.364SS..  trans-146.691.9170-173.8-1.2000111.9I1127 S1132I1127-D1130 WeakPolarHBondContact CG2-O 3.43Å; I1127-D1130 CarbonylContact O-C 3.58Å; I1127-D1130 PolarHBondContact O-N 2.76Å; D1130-S1132 VanDerWaalsContact CG-OG 3.27Å; D1130-S1132 PolarHBondContact O-N 3.45Å; D1130-S1132 VanDerWaalsContact O-N 3.13Å; D1130-S1132 WeakPolarHBondContact OD1-CB 3.23Å; D1130-S1132 PolarHBondContact OD1-N 3.47Å; D1130-S1132 PolarHBondContact OD1-OG 2.81Å; D1130-S1132 PolarHBondContact OD2-OG 2.81Å
1131D62.3Low71.4Confident60 Ų6066.9 Ų66.932%0.32137%0.369SS..G310 helixtrans-67.7-3.7178.9-115.13.9000114.2I1127 S1133 L1134 K1136I1127-D1131 PolarHBondContact O-N 3.37Å; D1131-S1133 VanDerWaalsContact C-N 3.29Å; D1131-S1133 PolarHBondContact O-N 3.01Å; D1131-L1134 PolarHBondContact O-N 3.18Å; D1131-L1134 VanDerWaalsContact O-N 3.15Å; D1131-L1134 WeakPolarHBondContact OD1-CD1 3.03Å; D1131-K1136 VanDerWaalsContact OD2-CE 3.28Å; D1131-K1136 WeakPolarHBondContact OD2-CE 3.47Å; D1131-K1136 IonicContact OD2-NZ 2.7Å; D1131-K1136 PolarHBondContact OD2-NZ 2.95Å
1132S70.2Confident72.8Confident97 Ų9765.9 Ų65.968%0.67836%0.361SS*.G310 helixtrans-67.8-22.4-16766.80000115D1130 L1134D1130-S1132 VanDerWaalsContact CG-OG 3.27Å; D1130-S1132 PolarHBondContact O-N 3.45Å; D1130-S1132 VanDerWaalsContact O-N 3.13Å; D1130-S1132 WeakPolarHBondContact OD1-CB 3.23Å; D1130-S1132 PolarHBondContact OD1-N 3.47Å; D1130-S1132 PolarHBondContact OD1-OG 2.81Å; D1130-S1132 PolarHBondContact OD2-OG 2.81Å; S1132-L1134 VanDerWaalsContact C-N 3.33Å
1133S67.8Low74.3Confident79 Ų7962.5 Ų62.555%0.55235%0.345SS*.G310 helixtrans-78.6-13.2175.861.20000114.2D1131D1131-S1133 VanDerWaalsContact C-N 3.29Å; D1131-S1133 PolarHBondContact O-N 3.01Å
1134L75.7Confident75.5Confident13 Ų1357.3 Ų57.37%0.06833%0.325CS..SBendtrans-90.3122.3-175.4-72.6159.7000110.9F1097 H1098 I1127 D1131 S1132 K1136 L1266F1097-L1134 HydrophobicContact CE2-CB 4Å; F1097-L1134 HydrophobicContact CE2-CD1 4.03Å; F1097-L1134 HydrophobicContact CE2-CD2 4.22Å; F1097-L1134 HydrophobicContact CE2-CG 4.3Å; H1098-L1134 WeakPolarHBondContact CE1-CD2 3.41Å; I1127-L1134 HydrophobicContact CG2-CD1 3.53Å; I1127-L1134 HydrophobicContact CG2-CG 4.01Å; D1131-L1134 PolarHBondContact O-N 3.18Å; D1131-L1134 VanDerWaalsContact O-N 3.15Å; D1131-L1134 WeakPolarHBondContact OD1-CD1 3.03Å; S1132-L1134 VanDerWaalsContact C-N 3.33Å; L1134-K1136 PolarHBondContact O-N 3.16Å; L1134-L1266 HydrophobicContact CD2-CD1 4.13Å; L1134-L1266 HydrophobicContact CD2-CD2 3.85Å; L1134-L1266 HydrophobicContact CD2-CG 4.07Å
1135D80.1Confident76.5Confident47 Ų4756.7 Ų56.725%0.25132%0.322SS..  trans-77.3106.3172.7-170.3-6.8000108.7R1102 Y1137 Q1265R1102-D1135 WeakPolarHBondContact CB-OD2 3.46Å; R1102-D1135 IonicContact CZ-OD1 3.28Å; R1102-D1135 IonicContact CZ-OD2 3.52Å; R1102-D1135 IonicContact NE-OD1 2.65Å; R1102-D1135 PolarHBondContact NE-OD1 3.42Å; R1102-D1135 IonicContact NE-OD2 2.69Å; R1102-D1135 PolarHBondContact NE-OD2 3.24Å; R1102-D1135 IonicContact NH2-OD1 3.81Å; R1102-D1135 PolarHBondContact NH2-OD1 2.91Å; R1102-D1135 IonicContact NH2-OD2 3.89Å; R1102-D1135 PolarHBondContact NH2-OD2 3.31Å; D1135-Y1137 PolarHBondContact O-N 3.3Å; D1135-Y1137 PolarHBondContact OD1-N 3.5Å; D1135-Q1265 PolarHBondContact O-NE2 3.26Å
1136K86.6Confident77.8Confident120 Ų12055.5 Ų55.552%0.52232%0.315SS..  trans-75.638.2-177.7-57.6-172.9176.8-176.80112.9F1097 D1131 L1134F1097-K1136 HydrophobicContact CD1-CB 4.16Å; F1097-K1136 HydrophobicContact CD1-CG 4.13Å; F1097-K1136 HydrophobicContact CE1-CB 4.37Å; F1097-K1136 HydrophobicContact CE1-CD 4.19Å; F1097-K1136 HydrophobicContact CE1-CG 3.88Å; F1097-K1136 HydrophobicContact CZ-CG 4.16Å; D1131-K1136 VanDerWaalsContact OD2-CE 3.28Å; D1131-K1136 WeakPolarHBondContact OD2-CE 3.47Å; D1131-K1136 IonicContact OD2-NZ 2.7Å; D1131-K1136 PolarHBondContact OD2-NZ 2.95Å; L1134-K1136 PolarHBondContact O-N 3.16Å
1137Y88.5Confident79.3Confident66 Ų6653.2 Ų53.226%0.25930%0.296SS..  trans-79.5123.7175174.9-105.8000110.5F1100 R1102 D1135 P1139F1100-Y1137 HydrophobicContact CB-CD1 4.15Å; R1102-Y1137 HydrophobicContact CB-CD1 4.22Å; R1102-Y1137 HydrophobicContact CB-CD2 4.38Å; R1102-Y1137 HydrophobicContact CB-CG 4.04Å; R1102-Y1137 HydrophobicContact CG-CD2 4.35Å; R1102-Y1137 HydrophobicContact CG-CG 4.5Å; D1135-Y1137 PolarHBondContact O-N 3.3Å; D1135-Y1137 PolarHBondContact OD1-N 3.5Å; Y1137-P1139 HydrophobicContact CE1-CB 4.16Å; Y1137-P1139 HydrophobicContact CE1-CG 4.27Å
1138L88.6Confident80.5Confident80 Ų8052.9 Ų52.942%0.41930%0.295SS..  trans-128.2113.2173.3-172.867.6000108.5D1096 F1100D1096-L1138 HydrophobicContact CB-CD1 3.68Å; F1100-L1138 HydrophobicContact CD2-CD1 3.9Å; F1100-L1138 HydrophobicContact CE2-CD1 3.72Å
1139P88.3Confident82.1Confident21 Ų2149.3 Ų49.314%0.13628%0.278CS..  trans-76.4150.6178.532.4-34.6000111.2F1100 Y1137 T1141F1100-P1139 HydrophobicContact CB-CG 4.5Å; F1100-P1139 HydrophobicContact CD1-CG 3.56Å; F1100-P1139 HydrophobicContact CD2-CG 4.16Å; F1100-P1139 HydrophobicContact CE1-CG 3.66Å; F1100-P1139 HydrophobicContact CE2-CG 4.25Å; F1100-P1139 VanDerWaalsContact CG-CD 3.49Å; F1100-P1139 HydrophobicContact CG-CG 3.81Å; F1100-P1139 HydrophobicContact CZ-CG 4Å; Y1137-P1139 HydrophobicContact CE1-CB 4.16Å; Y1137-P1139 HydrophobicContact CE1-CG 4.27Å; P1139-T1141 WeakPolarHBondContact CB-O 3.47Å; P1139-T1141 PolarHBondContact O-N 3.38Å
1140S85.7Confident83.7Confident103 Ų10343.4 Ų43.472%0.7225%0.246SC*.SBendtrans-73-11.8179.954.50000114.9
1141T88Confident84.9Confident36 Ų3643.4 Ų43.422%0.22124%0.243CC..SBendtrans-156154.7-175.844.90000107.6S1006 T1008 P1139S1006-T1141 CarbonylContact O-C 3.45Å; S1006-T1141 WeakPolarHBondContact O-CA 3.28Å; S1006-T1141 WeakPolarHBondContact O-CB 3.32Å; T1008-T1141 WeakPolarHBondContact CG2-OG1 3.35Å; P1139-T1141 WeakPolarHBondContact CB-O 3.47Å; P1139-T1141 PolarHBondContact O-N 3.38Å
1142L89.7Confident85.9Confident24 Ų2444 Ų4413%0.12625%0.249CC..BIsolated β-bridgetrans-61128.3177.1-65.9177.5000111S1006 Y1007 E1079 F1100S1006-L1142 PolarHBondContact O-N 3.44Å; Y1007-L1142 HydrophobicContact CD1-CB 3.93Å; Y1007-L1142 WeakPolarHBondContact CD1-O 3.37Å; Y1007-L1142 HydrophobicContact CE1-CB 3.78Å; Y1007-L1142 HydrophobicContact CE2-CD1 4.43Å; Y1007-L1142 HydrophobicContact CG-CB 4.43Å; E1079-L1142 HydrophobicContact CB-CD1 3.95Å; E1079-L1142 HydrophobicContact CG-CD1 3.82Å; F1100-L1142 HydrophobicContact CE1-CD2 3.96Å; F1100-L1142 HydrophobicContact CZ-CD2 4.03Å
1143P89.3Confident86.7Confident30 Ų3041.9 Ų41.920%0.19523%0.228CC..PPolyproline II helixtrans-78.7163168.933.6-33.6000110.7F1100F1100-P1143 HydrophobicContact CD1-CG 4.32Å
1144L90Very high87.7Confident0 Ų038.1 Ų38.10%020%0.202CC..PPolyproline II helixtrans-80139.3162.9-176.866.5000108.7I1011 L1071 M1075 I1146 H1147 F1157 I1180I1011-L1144 HydrophobicContact CD1-CB 4.24Å; L1071-L1144 HydrophobicContact CD1-CD1 4.4Å; M1075-L1144 HydrophobicContact CE-CD1 3.74Å; M1075-L1144 HydrophobicContact CG-CD1 3.97Å; M1075-L1144 HydrophobicContact SD-CD1 3.49Å; M1075-L1144 WeakPolarHBondContact SD-CD1 3.34Å; L1144-I1146 HydrophobicContact CB-CG2 4.38Å; L1144-I1146 HydrophobicContact CD2-CG2 3.45Å; L1144-I1146 VanDerWaalsContact CD2-CG2 3.45Å; L1144-I1146 HydrophobicContact CG-CG2 3.69Å; L1144-I1146 PolarHBondContact O-N 3.16Å; L1144-I1146 VanDerWaalsContact O-N 3.11Å; L1144-H1147 WeakPolarHBondContact O-CB 3.43Å; L1144-H1147 PolarHBondContact O-N 3.38Å; L1144-F1157 HydrophobicContact CD2-CE1 3.53Å; L1144-F1157 HydrophobicContact CD2-CZ 3.62Å; L1144-I1180 HydrophobicContact CD2-CG2 4.07Å
1145A92.5Very high88.2Confident1 Ų137.6 Ų37.61%0.00820%0.2CC..G310 helixtrans-60.8-28.5-171.300000113.9H1147 E1148 V1183 H1187A1145-H1147 VanDerWaalsContact C-N 3.3Å; A1145-H1147 PolarHBondContact O-N 3.32Å; A1145-E1148 WeakPolarHBondContact O-CB 3.33Å; A1145-E1148 PolarHBondContact O-N 3.33Å; A1145-V1183 HydrophobicContact CB-CG1 3.84Å; A1145-H1187 HydrophobicContact CB-CB 3.86Å
1146I93.2Very high88.5Confident1 Ų141.8 Ų41.81%0.00522%0.216CC..G310 helixtrans-63.2-32174.5-168.670.9000112.7L1144 E1148 L1149 D1150 V1154 I1180 V1183 I1305L1144-I1146 HydrophobicContact CB-CG2 4.38Å; L1144-I1146 HydrophobicContact CD2-CG2 3.45Å; L1144-I1146 VanDerWaalsContact CD2-CG2 3.45Å; L1144-I1146 HydrophobicContact CG-CG2 3.69Å; L1144-I1146 PolarHBondContact O-N 3.16Å; L1144-I1146 VanDerWaalsContact O-N 3.11Å; I1146-E1148 PolarHBondContact O-N 3.4Å; I1146-E1148 VanDerWaalsContact O-N 3.14Å; I1146-L1149 PolarHBondContact O-N 2.85Å; I1146-D1150 CarbonylContact C-O 3.56Å; I1146-D1150 PolarHBondContact O-N 3.01Å; I1146-V1154 HydrophobicContact CD1-CG1 4.1Å; I1146-I1180 HydrophobicContact CB-CG1 4.32Å; I1146-I1180 HydrophobicContact CG1-CG1 4.08Å; I1146-I1180 HydrophobicContact CG2-CG1 4.18Å; I1146-I1180 HydrophobicContact CG2-CG2 4.31Å; I1146-V1183 HydrophobicContact CD1-CB 4.43Å; I1146-V1183 HydrophobicContact CD1-CG2 3.92Å; I1146-I1305 HydrophobicContact CD1-CD1 4.09Å; I1146-I1305 HydrophobicContact CD1-CG2 3.97Å
1147H91.7Very high88.7Confident22 Ų2237.4 Ų37.410%0.10220%0.197CC..G310 helixtrans-69.3-13.1-177.7-60-171.8000113P1103 L1144 A1145 L1149 E1151P1103-H1147 VanDerWaalsContact CB-O 3.31Å; P1103-H1147 WeakPolarHBondContact CB-O 3.49Å; L1144-H1147 WeakPolarHBondContact O-CB 3.43Å; L1144-H1147 PolarHBondContact O-N 3.38Å; A1145-H1147 VanDerWaalsContact C-N 3.3Å; A1145-H1147 PolarHBondContact O-N 3.32Å; H1147-L1149 PolarHBondContact O-N 3.3Å; H1147-E1151 HydrophobicContact CB-CB 4.39Å; H1147-E1151 HydrophobicContact CB-CG 4.49Å; H1147-E1151 IonicContact CE1-OE1 3.72Å; H1147-E1151 IonicContact CG-OE1 2.78Å; H1147-E1151 IonicContact ND1-OE1 3.21Å; H1147-E1151 PolarHBondContact ND1-OE1 3.19Å
1148E89.6Confident88.8Confident6 Ų635 Ų353%0.02819%0.19CC..G310 helixtrans-65.8-23.9169.2-61.6178.4169.100112.1I1101 S1104 A1145 I1146 K1268I1101-E1148 HydrophobicContact CB-CG 4.31Å; I1101-E1148 HydrophobicContact CG2-CB 4.29Å; S1104-E1148 PolarHBondContact N-O 2.67Å; A1145-E1148 WeakPolarHBondContact O-CB 3.33Å; A1145-E1148 PolarHBondContact O-N 3.33Å; I1146-E1148 PolarHBondContact O-N 3.4Å; I1146-E1148 VanDerWaalsContact O-N 3.14Å; E1148-K1268 IonicContact OE1-NZ 2.81Å; E1148-K1268 PolarHBondContact OE1-NZ 3.24Å; E1148-K1268 VanDerWaalsContact OE2-CD 3.29Å; E1148-K1268 WeakPolarHBondContact OE2-CD 3.39Å; E1148-K1268 WeakPolarHBondContact OE2-CE 3.46Å; E1148-K1268 IonicContact OE2-NZ 3.72Å; E1148-K1268 PolarHBondContact OE2-NZ 3.47Å
1149L90.6Very high89Confident6 Ų631.2 Ų31.23%0.03117%0.17CC..THydrogen-bonded Turntrans-116-48.4-173.2-46.8176.5000112.5F1106 I1146 H1147 V1183 R1272 I1305 F1308F1106-L1149 HydrophobicContact CE2-CB 4.4Å; I1146-L1149 PolarHBondContact O-N 2.85Å; H1147-L1149 PolarHBondContact O-N 3.3Å; L1149-V1183 HydrophobicContact CD1-CG1 4.47Å; L1149-R1272 HydrophobicContact CD2-CB 4.1Å; L1149-R1272 HydrophobicContact CD2-CG 3.66Å; L1149-I1305 HydrophobicContact CD1-CG1 4.21Å; L1149-I1305 HydrophobicContact CD1-CG2 3.98Å; L1149-F1308 HydrophobicContact CD1-CD1 3.59Å; L1149-F1308 HydrophobicContact CD1-CE1 3.87Å; L1149-F1308 HydrophobicContact CD1-CG 3.96Å; L1149-F1308 HydrophobicContact CD1-CZ 4.45Å; L1149-F1308 HydrophobicContact CD2-CD2 4.18Å; L1149-F1308 HydrophobicContact CD2-CE1 4.42Å; L1149-F1308 HydrophobicContact CD2-CE2 4.07Å; L1149-F1308 HydrophobicContact CD2-CG 4.41Å; L1149-F1308 HydrophobicContact CD2-CZ 4.19Å
1150D90.1Very high88.9Confident0 Ų036.6 Ų36.60%019%0.188CC..  trans-153.7128-178.2-168.582.5000111.5F1106 I1146 T1152 Q1153 V1154 G1155 K1301 I1305F1106-D1150 HydrophobicContact CD2-CB 4.3Å; F1106-D1150 HydrophobicContact CE2-CB 4.39Å; I1146-D1150 CarbonylContact C-O 3.56Å; I1146-D1150 PolarHBondContact O-N 3.01Å; D1150-T1152 PolarHBondContact OD1-OG1 3.12Å; D1150-T1152 PolarHBondContact OD2-N 3.26Å; D1150-Q1153 WeakPolarHBondContact OD2-CA 3.47Å; D1150-Q1153 PolarHBondContact OD2-N 3.29Å; D1150-V1154 PolarHBondContact OD2-N 3.37Å; D1150-G1155 WeakPolarHBondContact O-CA 3.17Å; D1150-G1155 PolarHBondContact OD2-N 3.46Å; D1150-K1301 IonicContact OD1-NZ 3.13Å; D1150-K1301 PolarHBondContact OD1-NZ 3.17Å; D1150-I1305 HydrophobicContact CB-CD1 4.48Å
1151E85Confident88.9Confident99 Ų9933 Ų3346%0.46317%0.167SC..SBendtrans-117.1-9.6175.6-170.4170.2-151.300111H1147H1147-E1151 HydrophobicContact CB-CB 4.39Å; H1147-E1151 HydrophobicContact CB-CG 4.49Å; H1147-E1151 IonicContact CE1-OE1 3.72Å; H1147-E1151 IonicContact CG-OE1 2.78Å; H1147-E1151 IonicContact ND1-OE1 3.21Å; H1147-E1151 PolarHBondContact ND1-OE1 3.19Å
1152T83.8Confident89Confident73 Ų7334.5 Ų34.545%0.44817%0.171SC..SBendtrans-99.9-30.8-166.759.80000114.9Q1105 D1150Q1105-T1152 HydrophobicContact CG-CG2 4.43Å; Q1105-T1152 PolarHBondContact OE1-OG1 2.91Å; D1150-T1152 PolarHBondContact OD1-OG1 3.12Å; D1150-T1152 PolarHBondContact OD2-N 3.26Å
1153Q86.7Confident88.9Confident52 Ų5237.1 Ų37.124%0.24320%0.195CC..SBendtrans-125.9-70.5-174.4-73.3160.928.800110.5E1107 D1150 E1298 K1301E1107-Q1153 PolarHBondContact OE1-NE2 3.08Å; D1150-Q1153 WeakPolarHBondContact OD2-CA 3.47Å; D1150-Q1153 PolarHBondContact OD2-N 3.29Å; Q1153-E1298 HydrophobicContact CB-CG 4.48Å; Q1153-K1301 VanDerWaalsContact CD-NZ 3.25Å; Q1153-K1301 VanDerWaalsContact OE1-CE 3.22Å
1154V87.6Confident88.9Confident0 Ų037.7 Ų37.70%020%0.198CC..THydrogen-bonded Turntrans-73.6-37.5-177.8-176.70000110.7I1146 D1150 K1156 N1176 T1179 I1180 E1298 K1301 R1302 I1305I1146-V1154 HydrophobicContact CD1-CG1 4.1Å; D1150-V1154 PolarHBondContact OD2-N 3.37Å; V1154-K1156 VanDerWaalsContact C-N 3.31Å; V1154-K1156 PolarHBondContact O-N 3.32Å; V1154-N1176 HydrophobicContact CG1-CB 4.28Å; V1154-T1179 HydrophobicContact CG1-CG2 4.09Å; V1154-I1180 VanDerWaalsContact O-CD1 3.26Å; V1154-I1180 WeakPolarHBondContact O-CD1 3.5Å; V1154-E1298 HydrophobicContact CG2-CG 4.17Å; V1154-K1301 HydrophobicContact CG2-CB 3.86Å; V1154-K1301 HydrophobicContact CG2-CD 4.45Å; V1154-R1302 HydrophobicContact CG1-CG 4.38Å; V1154-R1302 HydrophobicContact CG2-CG 4.17Å; V1154-I1305 HydrophobicContact CB-CD1 4.1Å; V1154-I1305 HydrophobicContact CG1-CD1 4.1Å; V1154-I1305 HydrophobicContact CG2-CD1 4.05Å
1155G87Confident88.9Confident3 Ų337.7 Ų37.73%0.03120%0.198CC..THydrogen-bonded Turntrans-77.6-7.3178.300000115.6D1150 F1157D1150-G1155 WeakPolarHBondContact O-CA 3.17Å; D1150-G1155 PolarHBondContact OD2-N 3.46Å; G1155-F1157 VanDerWaalsContact O-CD1 3.25Å; G1155-F1157 WeakPolarHBondContact O-CD1 3.38Å; G1155-F1157 WeakPolarHBondContact O-CE1 3.33Å
1156K86.9Confident88.7Confident134 Ų13441 Ų4158%0.58321%0.214SC*.  trans-93.9109-172-176-163168.1-140.90111.5V1154V1154-K1156 VanDerWaalsContact C-N 3.31Å; V1154-K1156 PolarHBondContact O-N 3.32Å
1157F90.6Very high88.4Confident28 Ų2846.3 Ų46.312%0.12324%0.239CC..  trans-146.7157.117760.7-87.8000111.7L1015 L1071 L1144 G1155 F1159 M1168 L1177 I1180L1015-F1157 HydrophobicContact CB-CE2 4.1Å; L1015-F1157 HydrophobicContact CD1-CE2 4.09Å; L1015-F1157 HydrophobicContact CD2-CE2 4.44Å; L1015-F1157 HydrophobicContact CG-CE2 4.42Å; L1071-F1157 HydrophobicContact CD2-CE2 4.41Å; L1071-F1157 HydrophobicContact CD2-CZ 4.11Å; L1144-F1157 HydrophobicContact CD2-CE1 3.53Å; L1144-F1157 HydrophobicContact CD2-CZ 3.62Å; G1155-F1157 VanDerWaalsContact O-CD1 3.25Å; G1155-F1157 WeakPolarHBondContact O-CD1 3.38Å; G1155-F1157 WeakPolarHBondContact O-CE1 3.33Å; F1157-F1159 AromaticContact CD2-CD2 3.99Å; F1157-F1159 HydrophobicContact CD2-CD2 3.99Å; F1157-F1159 AromaticContact CD2-CE2 3.55Å; F1157-F1159 HydrophobicContact CD2-CE2 3.55Å; F1157-F1159 HydrophobicContact CE2-CD2 4.37Å; F1157-F1159 AromaticContact CE2-CE2 3.9Å; F1157-F1159 HydrophobicContact CE2-CE2 3.9Å; F1157-M1168 HydrophobicContact CB-SD 3.72Å; F1157-L1177 HydrophobicContact CB-CD2 4.4Å; F1157-L1177 HydrophobicContact CD2-CD2 4.47Å; F1157-L1177 HydrophobicContact CG-CD2 4.25Å; F1157-I1180 HydrophobicContact CD1-CD1 3.45Å; F1157-I1180 VanDerWaalsContact CD1-CD1 3.45Å; F1157-I1180 HydrophobicContact CE1-CD1 3.7Å; F1157-I1180 HydrophobicContact CE1-CG2 4.35Å; F1157-I1180 HydrophobicContact CG-CD1 4.37Å
1158S90.2Very high88.3Confident16 Ų1645.8 Ų45.811%0.11224%0.237CC..  trans-155125.1171.9-176.10000112.1D1014 R1160 T1164 M1168D1014-S1158 VanDerWaalsContact OD1-CB 3.27Å; D1014-S1158 WeakPolarHBondContact OD1-CB 3.21Å; D1014-S1158 PolarHBondContact OD1-OG 2.96Å; S1158-R1160 VanDerWaalsContact C-N 3.33Å; S1158-R1160 PolarHBondContact OG-N 3.46Å; S1158-T1164 WeakPolarHBondContact O-CB 3.46Å; S1158-T1164 PolarHBondContact O-OG1 2.93Å; S1158-M1168 WeakPolarHBondContact O-CE 3.18Å
1159F92.3Very high88.4Confident1 Ų145.6 Ų45.60%0.00424%0.236CC..  trans-915.7178-63.1-83.7000113.4D1014 L1015 I1021 L1064 R1068 F1157 M1168 L1177D1014-F1159 WeakPolarHBondContact O-CB 3.34Å; D1014-F1159 PolarHBondContact O-N 3.42Å; L1015-F1159 HydrophobicContact CD1-CD2 3.83Å; L1015-F1159 HydrophobicContact CD1-CE2 3.67Å; I1021-F1159 HydrophobicContact CB-CB 4.45Å; I1021-F1159 HydrophobicContact CD1-CD1 3.5Å; I1021-F1159 VanDerWaalsContact CD1-CD1 3.5Å; I1021-F1159 HydrophobicContact CD1-CE1 3.95Å; I1021-F1159 HydrophobicContact CD1-CG 4.5Å; I1021-F1159 HydrophobicContact CG2-CB 3.87Å; I1021-F1159 HydrophobicContact CG2-CD1 4.46Å; I1021-F1159 HydrophobicContact CG2-CG 4.48Å; L1064-F1159 HydrophobicContact CD1-CE1 3.65Å; L1064-F1159 HydrophobicContact CD1-CZ 4.34Å; L1064-F1159 HydrophobicContact CG-CE1 4.2Å; R1068-F1159 HydrophobicContact CB-CD1 4.44Å; R1068-F1159 HydrophobicContact CB-CE1 3.86Å; R1068-F1159 HydrophobicContact CB-CE2 4.27Å; R1068-F1159 HydrophobicContact CB-CZ 3.77Å; R1068-F1159 HydrophobicContact CG-CD1 4.43Å; R1068-F1159 HydrophobicContact CG-CD2 4.25Å; R1068-F1159 HydrophobicContact CG-CE1 4.24Å; R1068-F1159 HydrophobicContact CG-CE2 4.07Å; R1068-F1159 HydrophobicContact CG-CG 4.42Å; R1068-F1159 HydrophobicContact CG-CZ 4.07Å; F1157-F1159 AromaticContact CD2-CD2 3.99Å; F1157-F1159 HydrophobicContact CD2-CD2 3.99Å; F1157-F1159 AromaticContact CD2-CE2 3.55Å; F1157-F1159 HydrophobicContact CD2-CE2 3.55Å; F1157-F1159 HydrophobicContact CE2-CD2 4.37Å; F1157-F1159 AromaticContact CE2-CE2 3.9Å; F1157-F1159 HydrophobicContact CE2-CE2 3.9Å; F1159-M1168 HydrophobicContact CD1-CE 3.4Å; F1159-M1168 VanDerWaalsContact CD1-CE 3.4Å; F1159-M1168 HydrophobicContact CD1-SD 4.25Å; F1159-M1168 HydrophobicContact CD2-CE 4.45Å; F1159-M1168 HydrophobicContact CE1-CE 3.62Å; F1159-M1168 HydrophobicContact CE1-SD 3.94Å; F1159-M1168 HydrophobicContact CE2-SD 4.34Å; F1159-M1168 HydrophobicContact CG-CE 3.88Å; F1159-M1168 HydrophobicContact CZ-CE 4.22Å; F1159-M1168 HydrophobicContact CZ-SD 3.98Å; F1159-L1177 HydrophobicContact CE1-CD1 4.48Å; F1159-L1177 HydrophobicContact CE2-CD2 4.39Å; F1159-L1177 HydrophobicContact CZ-CD1 4.07Å; F1159-L1177 HydrophobicContact CZ-CD2 3.94Å
1160R86.3Confident88.2Confident133 Ų13350.1 Ų50.150%0.50226%0.257SS..SBendtrans-79.3-20.9-170.5-172.1175174.5-153.6-4.3114.6K1013 F1020 S1158K1013-R1160 WeakPolarHBondContact O-CD 3.34Å; F1020-R1160 WeakPolarHBondContact CB-O 3.28Å; S1158-R1160 VanDerWaalsContact C-N 3.33Å; S1158-R1160 PolarHBondContact OG-N 3.46Å
1161G86.5Confident88.1Confident27 Ų2753 Ų5328%0.27828%0.276SS..SBendtrans-145.7151.4-172.200000114.8A1163 T1164 V1165G1161-A1163 VanDerWaalsContact C-N 3.28Å; G1161-A1163 PolarHBondContact O-N 2.88Å; G1161-T1164 PolarHBondContact O-N 3.21Å; G1161-T1164 PolarHBondContact O-OG1 2.92Å; G1161-V1165 WeakPolarHBondContact O-CG2 3.27Å; G1161-V1165 PolarHBondContact O-N 2.88Å
1162K89.2Confident88.3Confident69 Ų6953.7 Ų53.730%0.327%0.274SS..Hα-helixtrans-51.5-41.9-176.4-167.9164.6-175.5165.80114F1020 L1030 M1166F1020-K1162 HydrophobicContact CD2-CB 4.47Å; F1020-K1162 HydrophobicContact CE2-CB 3.62Å; F1020-K1162 HydrophobicContact CE2-CD 4.45Å; F1020-K1162 HydrophobicContact CE2-CG 4.12Å; F1020-K1162 HydrophobicContact CZ-CB 3.71Å; F1020-K1162 HydrophobicContact CZ-CD 4.47Å; F1020-K1162 HydrophobicContact CZ-CG 3.87Å; L1030-K1162 HydrophobicContact CD1-CG 3.91Å; K1162-M1166 WeakPolarHBondContact O-CG 3.25Å; K1162-M1166 PolarHBondContact O-N 2.83Å
1163A88.6Confident88.7Confident78 Ų7850.7 Ų50.765%0.64526%0.258SS*.Hα-helixtrans-68-44.6-178.600000112.9G1161 V1165 M1166 E1167G1161-A1163 VanDerWaalsContact C-N 3.28Å; G1161-A1163 PolarHBondContact O-N 2.88Å; A1163-V1165 VanDerWaalsContact C-N 3.34Å; A1163-M1166 PolarHBondContact O-N 3.36Å; A1163-E1167 PolarHBondContact O-N 2.97Å
1164T87.9Confident89Confident42 Ų4248.4 Ų48.426%0.25825%0.247SC..Hα-helixtrans-72.9-29.4179.956.60000111.8S1158 G1161 E1167 M1168S1158-T1164 WeakPolarHBondContact O-CB 3.46Å; S1158-T1164 PolarHBondContact O-OG1 2.93Å; G1161-T1164 PolarHBondContact O-N 3.21Å; G1161-T1164 PolarHBondContact O-OG1 2.92Å; T1164-E1167 PolarHBondContact O-N 3.43Å; T1164-M1168 WeakPolarHBondContact O-CG 3.06Å; T1164-M1168 PolarHBondContact O-N 3.39Å
1165V90Very high89.2Confident0 Ų052.4 Ų52.40%027%0.266CS..Hα-helixtrans-68.4-38.8170.2177.30000111.5F1020 M1027 L1030 L1064 G1161 A1163 M1168 L1169F1020-V1165 HydrophobicContact CD1-CB 4.38Å; F1020-V1165 HydrophobicContact CD1-CG2 3.78Å; F1020-V1165 HydrophobicContact CE1-CB 4.02Å; F1020-V1165 HydrophobicContact CE1-CG1 4.13Å; F1020-V1165 HydrophobicContact CE1-CG2 3.93Å; M1027-V1165 HydrophobicContact SD-CG1 4.45Å; L1030-V1165 HydrophobicContact CD2-CG1 3.59Å; L1064-V1165 HydrophobicContact CD2-CG1 3.85Å; G1161-V1165 WeakPolarHBondContact O-CG2 3.27Å; G1161-V1165 PolarHBondContact O-N 2.88Å; A1163-V1165 VanDerWaalsContact C-N 3.34Å; V1165-M1168 HydrophobicContact CB-CE 4.41Å; V1165-M1168 HydrophobicContact CG2-CE 3.93Å; V1165-M1168 PolarHBondContact O-N 2.85Å; V1165-L1169 WeakPolarHBondContact O-CG 3.38Å; V1165-L1169 PolarHBondContact O-N 3.37Å
1166M88.8Confident89.5Confident70 Ų7052.9 Ų52.935%0.34527%0.268SS..Hα-helixtrans-64.1-38.7171-74-67.9-65.900112.8L1030 Y1034 K1162 A1163 L1169L1030-M1166 HydrophobicContact CD1-CG 3.72Å; L1030-M1166 HydrophobicContact CD1-SD 3.59Å; L1030-M1166 VanDerWaalsContact CD1-SD 3.59Å; L1030-M1166 HydrophobicContact CG-SD 4.4Å; Y1034-M1166 HydrophobicContact CD2-CE 4.12Å; Y1034-M1166 HydrophobicContact CD2-SD 4.25Å; K1162-M1166 WeakPolarHBondContact O-CG 3.25Å; K1162-M1166 PolarHBondContact O-N 2.83Å; A1163-M1166 PolarHBondContact O-N 3.36Å; M1166-L1169 PolarHBondContact O-N 3.13Å; M1166-L1169 HydrophobicContact SD-CD1 4.15Å
1167E87.5Confident89.9Confident114 Ų11446.8 Ų46.853%0.53324%0.241SC..Hα-helixtrans-61.8-45.6174.2-172.6179.5-175.200111A1163 T1164 L1169 E1170A1163-E1167 PolarHBondContact O-N 2.97Å; T1164-E1167 PolarHBondContact O-N 3.43Å; E1167-L1169 VanDerWaalsContact C-N 3.27Å; E1167-L1169 PolarHBondContact O-N 2.58Å; E1167-E1170 WeakPolarHBondContact O-CB 3.44Å; E1167-E1170 PolarHBondContact O-N 2.89Å
1168M89.7Confident90.1Very high11 Ų1146.1 Ų46.15%0.05424%0.239CC..Hα-helixtrans-67.9-21175.8-71.2-175.9-59.500114.4L1064 F1157 S1158 F1159 T1164 V1165 E1170 G1173 I1174 L1177L1064-M1168 HydrophobicContact CD1-CB 3.89Å; L1064-M1168 HydrophobicContact CD1-CE 4.4Å; L1064-M1168 HydrophobicContact CD1-SD 4.44Å; L1064-M1168 HydrophobicContact CD2-CB 4.39Å; F1157-M1168 HydrophobicContact CB-SD 3.72Å; S1158-M1168 WeakPolarHBondContact O-CE 3.18Å; F1159-M1168 HydrophobicContact CD1-CE 3.4Å; F1159-M1168 VanDerWaalsContact CD1-CE 3.4Å; F1159-M1168 HydrophobicContact CD1-SD 4.25Å; F1159-M1168 HydrophobicContact CD2-CE 4.45Å; F1159-M1168 HydrophobicContact CE1-CE 3.62Å; F1159-M1168 HydrophobicContact CE1-SD 3.94Å; F1159-M1168 HydrophobicContact CE2-SD 4.34Å; F1159-M1168 HydrophobicContact CG-CE 3.88Å; F1159-M1168 HydrophobicContact CZ-CE 4.22Å; F1159-M1168 HydrophobicContact CZ-SD 3.98Å; T1164-M1168 WeakPolarHBondContact O-CG 3.06Å; T1164-M1168 PolarHBondContact O-N 3.39Å; V1165-M1168 HydrophobicContact CB-CE 4.41Å; V1165-M1168 HydrophobicContact CG2-CE 3.93Å; V1165-M1168 PolarHBondContact O-N 2.85Å; M1168-E1170 VanDerWaalsContact C-N 3.26Å; M1168-E1170 PolarHBondContact O-N 3.39Å; M1168-G1173 CarbonylContact O-C 3.47Å; M1168-G1173 WeakPolarHBondContact O-CA 3.49Å; M1168-I1174 WeakPolarHBondContact O-CD1 3.36Å; M1168-I1174 PolarHBondContact O-N 3.44Å; M1168-L1177 HydrophobicContact CB-CD1 4.49Å; M1168-L1177 HydrophobicContact SD-CD1 4.18Å
1169L90.2Very high90.3Very high1 Ų145.8 Ų45.81%0.00524%0.236CC..THydrogen-bonded Turntrans-72.3-16.9174.5-78.2171.8000112.9L1030 Y1034 R1060 L1061 L1064 V1165 M1166 E1167L1030-L1169 HydrophobicContact CD2-CD1 4.29Å; Y1034-L1169 HydrophobicContact CD2-CD1 3.91Å; Y1034-L1169 HydrophobicContact CE2-CB 3.99Å; Y1034-L1169 HydrophobicContact CE2-CD1 4.06Å; Y1034-L1169 HydrophobicContact CG-CD1 4.23Å; R1060-L1169 PolarHBondContact NH1-O 3.34Å; L1061-L1169 HydrophobicContact CB-CD2 3.77Å; L1061-L1169 HydrophobicContact CD1-CD1 4.3Å; L1061-L1169 HydrophobicContact CD1-CD2 3.89Å; L1061-L1169 HydrophobicContact CG-CD2 4.42Å; L1064-L1169 HydrophobicContact CB-CD2 4.32Å; L1064-L1169 HydrophobicContact CD2-CD2 3.61Å; L1064-L1169 HydrophobicContact CD2-CG 3.75Å; V1165-L1169 WeakPolarHBondContact O-CG 3.38Å; V1165-L1169 PolarHBondContact O-N 3.37Å; M1166-L1169 PolarHBondContact O-N 3.13Å; M1166-L1169 HydrophobicContact SD-CD1 4.15Å; E1167-L1169 VanDerWaalsContact C-N 3.27Å; E1167-L1169 PolarHBondContact O-N 2.58Å
1170E88.1Confident90.5Very high101 Ų10145.9 Ų45.947%0.47224%0.237SC..SBendtrans-59.7155171-68.7-159.6177.900111.8E1167 M1168 R1172 G1173 I1174E1167-E1170 WeakPolarHBondContact O-CB 3.44Å; E1167-E1170 PolarHBondContact O-N 2.89Å; M1168-E1170 VanDerWaalsContact C-N 3.26Å; M1168-E1170 PolarHBondContact O-N 3.39Å; E1170-R1172 PolarHBondContact O-N 2.85Å; E1170-R1172 VanDerWaalsContact O-N 3.16Å; E1170-R1172 IonicContact OE2-NH1 3.86Å; E1170-G1173 PolarHBondContact O-N 3.43Å; E1170-I1174 PolarHBondContact O-N 2.83Å
1171P87.8Confident90.9Very high60 Ų6039.7 Ų39.739%0.3921%0.214SC..Hα-helixtrans-54.2-40.7-178.7-24.333.7000112.5G1173 I1174 E1175P1171-G1173 VanDerWaalsContact C-N 3.34Å; P1171-G1173 PolarHBondContact O-N 3.18Å; P1171-I1174 PolarHBondContact O-N 3.32Å; P1171-E1175 VanDerWaalsContact O-CG 3.31Å; P1171-E1175 WeakPolarHBondContact O-CG 3.44Å; P1171-E1175 PolarHBondContact O-N 2.75Å
1172R88.9Confident91.4Very high115 Ų11538.5 Ų38.543%0.43420%0.201SC..Hα-helixtrans-60.4-39.1176.5-62177.2-169.8138.70.3112.9E1170 E1175 N1176 A1295 E1298E1170-R1172 PolarHBondContact O-N 2.85Å; E1170-R1172 VanDerWaalsContact O-N 3.16Å; E1170-R1172 IonicContact OE2-NH1 3.86Å; R1172-E1175 PolarHBondContact O-N 3.23Å; R1172-N1176 WeakPolarHBondContact O-CB 3.29Å; R1172-N1176 PolarHBondContact O-N 3.46Å; R1172-N1176 PolarHBondContact O-ND2 2.85Å; R1172-N1176 PolarHBondContact O-OD1 3.46Å; R1172-A1295 VanDerWaalsContact CZ-CB 3.47Å; R1172-E1298 WeakPolarHBondContact CB-OE2 3.34Å; R1172-E1298 WeakPolarHBondContact CD-OE2 3.48Å
1173G91.7Very high91.7Very high10 Ų1035.3 Ų35.310%0.10319%0.187CC..Hα-helixtrans-65.6-43.4179.100000112.4M1168 E1170 P1171 N1176 L1177M1168-G1173 CarbonylContact O-C 3.47Å; M1168-G1173 WeakPolarHBondContact O-CA 3.49Å; E1170-G1173 PolarHBondContact O-N 3.43Å; P1171-G1173 VanDerWaalsContact C-N 3.34Å; P1171-G1173 PolarHBondContact O-N 3.18Å; G1173-N1176 PolarHBondContact O-N 2.94Å; G1173-L1177 WeakPolarHBondContact O-CG 3.31Å; G1173-L1177 PolarHBondContact O-N 2.85Å
1174I92.4Very high92Very high4 Ų431.7 Ų31.72%0.02116%0.157CC..Hα-helixtrans-67.8-42.2174.5-54.6-58.3000111.2R1060 D1063 L1064 L1067 M1168 E1170 P1171 N1176 L1177 L1178R1060-I1174 HydrophobicContact CB-CD1 4.43Å; R1060-I1174 HydrophobicContact CB-CG1 3.97Å; R1060-I1174 HydrophobicContact CG-CG1 4.03Å; R1060-I1174 WeakPolarHBondContact O-CD1 3.23Å; D1063-I1174 HydrophobicContact CB-CG2 4.3Å; L1064-I1174 HydrophobicContact CB-CD1 3.88Å; L1064-I1174 HydrophobicContact CD1-CD1 4.08Å; L1067-I1174 HydrophobicContact CD1-CG2 4.17Å; M1168-I1174 WeakPolarHBondContact O-CD1 3.36Å; M1168-I1174 PolarHBondContact O-N 3.44Å; E1170-I1174 PolarHBondContact O-N 2.83Å; P1171-I1174 PolarHBondContact O-N 3.32Å; I1174-N1176 VanDerWaalsContact C-N 3.34Å; I1174-N1176 PolarHBondContact O-N 3.43Å; I1174-L1177 PolarHBondContact O-N 3.31Å; I1174-L1178 HydrophobicContact CG2-CD1 4.19Å; I1174-L1178 WeakPolarHBondContact O-CG 3.09Å; I1174-L1178 PolarHBondContact O-N 2.93Å
1175E92.8Very high92.4Very high83 Ų8330 Ų3039%0.38815%0.147SC..Hα-helixtrans-61.5-39.8174.2-71171-145.700112.3P1171 R1172 T1179 R1302P1171-E1175 VanDerWaalsContact O-CG 3.31Å; P1171-E1175 WeakPolarHBondContact O-CG 3.44Å; P1171-E1175 PolarHBondContact O-N 2.75Å; R1172-E1175 PolarHBondContact O-N 3.23Å; E1175-T1179 WeakPolarHBondContact O-CB 3.36Å; E1175-T1179 PolarHBondContact O-N 2.99Å; E1175-T1179 PolarHBondContact O-OG1 2.95Å; E1175-R1302 IonicContact OE2-CZ 3.27Å; E1175-R1302 IonicContact OE2-NE 3.27Å; E1175-R1302 PolarHBondContact OE2-NE 3.15Å; E1175-R1302 IonicContact OE2-NH2 2.65Å; E1175-R1302 PolarHBondContact OE2-NH2 3.23Å
1176N93.9Very high92.7Very high14 Ų1430.1 Ų30.18%0.07515%0.147CC..Hα-helixtrans-63-46173.7-72.8-11.7000110.7V1154 R1172 G1173 I1174 L1178 T1179 I1180 E1298 R1302V1154-N1176 HydrophobicContact CG1-CB 4.28Å; R1172-N1176 WeakPolarHBondContact O-CB 3.29Å; R1172-N1176 PolarHBondContact O-N 3.46Å; R1172-N1176 PolarHBondContact O-ND2 2.85Å; R1172-N1176 PolarHBondContact O-OD1 3.46Å; G1173-N1176 PolarHBondContact O-N 2.94Å; I1174-N1176 VanDerWaalsContact C-N 3.34Å; I1174-N1176 PolarHBondContact O-N 3.43Å; N1176-L1178 PolarHBondContact O-N 3.11Å; N1176-T1179 CarbonylContact O-C 3.55Å; N1176-T1179 WeakPolarHBondContact O-CA 3.15Å; N1176-T1179 WeakPolarHBondContact O-CB 3.46Å; N1176-T1179 PolarHBondContact O-N 3.44Å; N1176-T1179 VanDerWaalsContact O-N 3.13Å; N1176-I1180 WeakPolarHBondContact O-CD1 3.48Å; N1176-I1180 VanDerWaalsContact O-CG1 3.27Å; N1176-I1180 WeakPolarHBondContact O-CG1 3.29Å; N1176-I1180 PolarHBondContact O-N 3.47Å; N1176-E1298 PolarHBondContact ND2-OE1 3.07Å; N1176-R1302 WeakPolarHBondContact OD1-CD 3.39Å; N1176-R1302 PolarHBondContact OD1-NH1 3.21Å
1177L94.2Very high93Very high5 Ų527.6 Ų27.63%0.02613%0.134CC..Hα-helixtrans-65.9-36.6179.2-73.6170000113.5L1064 L1067 F1157 F1159 M1168 G1173 I1174 T1179 I1180 L1181L1064-L1177 HydrophobicContact CD1-CD1 3.27Å; L1067-L1177 HydrophobicContact CD1-CB 4.24Å; F1157-L1177 HydrophobicContact CB-CD2 4.4Å; F1157-L1177 HydrophobicContact CD2-CD2 4.47Å; F1157-L1177 HydrophobicContact CG-CD2 4.25Å; F1159-L1177 HydrophobicContact CE1-CD1 4.48Å; F1159-L1177 HydrophobicContact CE2-CD2 4.39Å; F1159-L1177 HydrophobicContact CZ-CD1 4.07Å; F1159-L1177 HydrophobicContact CZ-CD2 3.94Å; M1168-L1177 HydrophobicContact CB-CD1 4.49Å; M1168-L1177 HydrophobicContact SD-CD1 4.18Å; G1173-L1177 WeakPolarHBondContact O-CG 3.31Å; G1173-L1177 PolarHBondContact O-N 2.85Å; I1174-L1177 PolarHBondContact O-N 3.31Å; L1177-T1179 VanDerWaalsContact C-N 3.35Å; L1177-I1180 HydrophobicContact CD2-CD1 4.04Å; L1177-I1180 PolarHBondContact O-N 3.03Å; L1177-L1181 WeakPolarHBondContact O-CB 3.46Å; L1177-L1181 PolarHBondContact O-N 3.29Å
1178L95.1Very high93.4Very high15 Ų1522.6 Ų22.68%0.07911%0.111CC..Hα-helixtrans-61.2-44.6169.1-72.1164000110.8S84 R87 L1067 I1174 N1176 L1181 Q1182S84-L1178 VanDerWaalsContact O-CD2 3.25Å; S84-L1178 WeakPolarHBondContact O-CD2 3.23Å; R87-L1178 HydrophobicContact CG-CD1 3.88Å; L1067-L1178 HydrophobicContact CD1-CD2 3.96Å; L1067-L1178 HydrophobicContact CD1-CG 3.95Å; L1067-L1178 HydrophobicContact CD2-CD2 3.7Å; L1067-L1178 HydrophobicContact CD2-CG 4.46Å; L1067-L1178 HydrophobicContact CG-CD2 4.48Å; I1174-L1178 HydrophobicContact CG2-CD1 4.19Å; I1174-L1178 WeakPolarHBondContact O-CG 3.09Å; I1174-L1178 PolarHBondContact O-N 2.93Å; N1176-L1178 PolarHBondContact O-N 3.11Å; L1178-L1181 PolarHBondContact O-N 3.24Å; L1178-Q1182 WeakPolarHBondContact O-CB 3.43Å; L1178-Q1182 PolarHBondContact O-N 3.13Å
1179T95Very high93.7Very high9 Ų922.2 Ų22.26%0.05511%0.109CC..Hα-helixtrans-63.3-44177.4-51.40000111.7V1154 E1175 N1176 L1177 Q1182 V1183 R1302 I1305V1154-T1179 HydrophobicContact CG1-CG2 4.09Å; E1175-T1179 WeakPolarHBondContact O-CB 3.36Å; E1175-T1179 PolarHBondContact O-N 2.99Å; E1175-T1179 PolarHBondContact O-OG1 2.95Å; N1176-T1179 CarbonylContact O-C 3.55Å; N1176-T1179 WeakPolarHBondContact O-CA 3.15Å; N1176-T1179 WeakPolarHBondContact O-CB 3.46Å; N1176-T1179 PolarHBondContact O-N 3.44Å; N1176-T1179 VanDerWaalsContact O-N 3.13Å; L1177-T1179 VanDerWaalsContact C-N 3.35Å; T1179-Q1182 PolarHBondContact O-N 3.42Å; T1179-V1183 VanDerWaalsContact O-CG2 3.25Å; T1179-V1183 WeakPolarHBondContact O-CG2 3.49Å; T1179-V1183 PolarHBondContact O-N 3.39Å; T1179-R1302 HydrophobicContact CG2-CG 4.48Å; T1179-R1302 WeakPolarHBondContact OG1-CD 3.46Å; T1179-I1305 HydrophobicContact CG2-CB 3.93Å; T1179-I1305 HydrophobicContact CG2-CG2 3.49Å; T1179-I1305 VanDerWaalsContact CG2-CG2 3.49Å
1180I95.4Very high94Very high2 Ų222.1 Ų22.11%0.0111%0.109CC..Hα-helixtrans-60.1-47174.9-67.9157.2000110.6L1071 L1144 I1146 V1154 F1157 N1176 L1177 Q1182 V1183 Q1184L1071-I1180 HydrophobicContact CD1-CG2 3.98Å; L1071-I1180 HydrophobicContact CD2-CG2 3.89Å; L1144-I1180 HydrophobicContact CD2-CG2 4.07Å; I1146-I1180 HydrophobicContact CB-CG1 4.32Å; I1146-I1180 HydrophobicContact CG1-CG1 4.08Å; I1146-I1180 HydrophobicContact CG2-CG1 4.18Å; I1146-I1180 HydrophobicContact CG2-CG2 4.31Å; V1154-I1180 VanDerWaalsContact O-CD1 3.26Å; V1154-I1180 WeakPolarHBondContact O-CD1 3.5Å; F1157-I1180 HydrophobicContact CD1-CD1 3.45Å; F1157-I1180 VanDerWaalsContact CD1-CD1 3.45Å; F1157-I1180 HydrophobicContact CE1-CD1 3.7Å; F1157-I1180 HydrophobicContact CE1-CG2 4.35Å; F1157-I1180 HydrophobicContact CG-CD1 4.37Å; N1176-I1180 WeakPolarHBondContact O-CD1 3.48Å; N1176-I1180 VanDerWaalsContact O-CG1 3.27Å; N1176-I1180 WeakPolarHBondContact O-CG1 3.29Å; N1176-I1180 PolarHBondContact O-N 3.47Å; L1177-I1180 HydrophobicContact CD2-CD1 4.04Å; L1177-I1180 PolarHBondContact O-N 3.03Å; I1180-Q1182 VanDerWaalsContact C-N 3.32Å; I1180-Q1182 PolarHBondContact O-N 3.33Å; I1180-V1183 PolarHBondContact O-N 2.92Å; I1180-Q1184 WeakPolarHBondContact O-CB 3.26Å; I1180-Q1184 PolarHBondContact O-N 3.4Å
1181L95.5Very high94.3Very high3 Ų317.3 Ų17.32%0.0169%0.086CC..Hα-helixtrans-63.2-39.5178.7-177.862.9000111.3L1067 R1070 L1071 C1074 L1177 L1178 Q1184 T1185L1067-L1181 HydrophobicContact CD2-CD2 3.59Å; R1070-L1181 HydrophobicContact CB-CD1 4.14Å; R1070-L1181 HydrophobicContact CB-CD2 3.91Å; L1071-L1181 HydrophobicContact CB-CD1 4.31Å; L1071-L1181 HydrophobicContact CD1-CD1 4.4Å; C1074-L1181 HydrophobicContact CB-CD1 4.36Å; L1177-L1181 WeakPolarHBondContact O-CB 3.46Å; L1177-L1181 PolarHBondContact O-N 3.29Å; L1178-L1181 PolarHBondContact O-N 3.24Å; L1181-Q1184 PolarHBondContact O-N 3.5Å; L1181-T1185 WeakPolarHBondContact O-CB 3.42Å; L1181-T1185 PolarHBondContact O-N 2.86Å; L1181-T1185 PolarHBondContact O-OG1 3.34Å
1182Q95.7Very high94.7Very high2 Ų214.5 Ų14.51%0.0097%0.068CC..Hα-helixtrans-62-46.7175.5-168.8-176.641.300111.6L81 S84 L1178 T1179 I1180 T1185 V1186 C1309L81-Q1182 HydrophobicContact CD1-CG 3.47Å; L81-Q1182 VanDerWaalsContact CD1-CG 3.47Å; L81-Q1182 HydrophobicContact CG-CG 3.92Å; S84-Q1182 WeakPolarHBondContact OG-CA 3.5Å; S84-Q1182 WeakPolarHBondContact OG-CB 3.47Å; L1178-Q1182 WeakPolarHBondContact O-CB 3.43Å; L1178-Q1182 PolarHBondContact O-N 3.13Å; T1179-Q1182 PolarHBondContact O-N 3.42Å; I1180-Q1182 VanDerWaalsContact C-N 3.32Å; I1180-Q1182 PolarHBondContact O-N 3.33Å; Q1182-T1185 PolarHBondContact O-N 3.41Å; Q1182-V1186 PolarHBondContact O-N 2.95Å; Q1182-C1309 HydrophobicContact CG-CB 4.05Å
1183V96.1Very high94.9Very high2 Ų29 Ų91%0.0125%0.047CC..Hα-helixtrans-63.9-42.8178177.60000111.5A1145 I1146 L1149 T1179 I1180 T1185 V1186 H1187 I1305 C1309A1145-V1183 HydrophobicContact CB-CG1 3.84Å; I1146-V1183 HydrophobicContact CD1-CB 4.43Å; I1146-V1183 HydrophobicContact CD1-CG2 3.92Å; L1149-V1183 HydrophobicContact CD1-CG1 4.47Å; T1179-V1183 VanDerWaalsContact O-CG2 3.25Å; T1179-V1183 WeakPolarHBondContact O-CG2 3.49Å; T1179-V1183 PolarHBondContact O-N 3.39Å; I1180-V1183 PolarHBondContact O-N 2.92Å; V1183-T1185 VanDerWaalsContact C-N 3.33Å; V1183-T1185 PolarHBondContact O-N 2.86Å; V1183-V1186 WeakPolarHBondContact O-CG1 3.46Å; V1183-H1187 WeakPolarHBondContact O-CB 3.33Å; V1183-H1187 PolarHBondContact O-N 2.65Å; V1183-I1305 HydrophobicContact CG2-CG2 3.26Å; V1183-C1309 WeakPolarHBondContact CG2-SG 3.42Å
1184Q96.3Very high95Very high3 Ų38.7 Ų8.71%0.0144%0.043CC..Hα-helixtrans-66.3-36.9175.6-165.266.626.400111.5L1071 C1074 M1075 C1078 I1180 L1181 H1187 K1188L1071-Q1184 HydrophobicContact CD1-CB 4.03Å; L1071-Q1184 HydrophobicContact CD1-CG 4.15Å; C1074-Q1184 HydrophobicContact CB-CG 4.44Å; M1075-Q1184 HydrophobicContact CG-CG 3.99Å; C1078-Q1184 PolarHBondContact SG-NE2 3.32Å; I1180-Q1184 WeakPolarHBondContact O-CB 3.26Å; I1180-Q1184 PolarHBondContact O-N 3.4Å; L1181-Q1184 PolarHBondContact O-N 3.5Å; Q1184-H1187 PolarHBondContact O-N 2.78Å; Q1184-K1188 WeakPolarHBondContact O-CB 3.49Å; Q1184-K1188 PolarHBondContact O-N 3.05Å
1185T95.8Very high95Very high6 Ų68.5 Ų8.54%0.0374%0.043CC..Hα-helixtrans-68.6-43.4178.8-60.60000112.2E80 L1181 Q1182 V1183 K1188 N1189E80-T1185 HydrophobicContact CB-CG2 4.44Å; E80-T1185 HydrophobicContact CG-CG2 3.75Å; L1181-T1185 WeakPolarHBondContact O-CB 3.42Å; L1181-T1185 PolarHBondContact O-N 2.86Å; L1181-T1185 PolarHBondContact O-OG1 3.34Å; Q1182-T1185 PolarHBondContact O-N 3.41Å; V1183-T1185 VanDerWaalsContact C-N 3.33Å; V1183-T1185 PolarHBondContact O-N 2.86Å; T1185-K1188 WeakPolarHBondContact O-CB 3.43Å; T1185-K1188 PolarHBondContact O-N 3.11Å; T1185-N1189 WeakPolarHBondContact O-CB 3.19Å; T1185-N1189 PolarHBondContact O-N 2.85Å
1186V95.8Very high94.9Very high2 Ų24.8 Ų4.81%0.0123%0.025CC..Hα-helixtrans-69.2-34.8174.9740000111.8L81 Q1182 V1183 N1189 G1190 C1309 Y1312 C1313L81-V1186 HydrophobicContact CD1-CB 3.84Å; Q1182-V1186 PolarHBondContact O-N 2.95Å; V1183-V1186 WeakPolarHBondContact O-CG1 3.46Å; V1186-N1189 PolarHBondContact O-N 3.42Å; V1186-G1190 PolarHBondContact O-N 2.77Å; V1186-C1309 HydrophobicContact CG1-CB 4.28Å; V1186-Y1312 HydrophobicContact CB-CD1 4.33Å; V1186-Y1312 HydrophobicContact CG1-CD1 3.93Å; V1186-Y1312 HydrophobicContact CG1-CE1 4.48Å; V1186-Y1312 HydrophobicContact CG2-CD1 3.61Å; V1186-Y1312 HydrophobicContact CG2-CE1 4.15Å; V1186-C1313 HydrophobicContact CG2-CB 3.86Å
1187H96.1Very high94.8Very high17 Ų174.6 Ų4.68%0.0792%0.024CC..Hα-helixtrans-61.6-45.2172.2179.531.6000111.7A1145 V1183 Q1184 G1190 L1191 K1268A1145-H1187 HydrophobicContact CB-CB 3.86Å; V1183-H1187 WeakPolarHBondContact O-CB 3.33Å; V1183-H1187 PolarHBondContact O-N 2.65Å; Q1184-H1187 PolarHBondContact O-N 2.78Å; H1187-G1190 PolarHBondContact O-N 3.28Å; H1187-L1191 PolarHBondContact O-N 3.23Å; H1187-K1268 PolarHBondContact ND1-NZ 2.73Å
1188K95.9Very high94.5Very high9 Ų94.5 Ų4.54%0.0392%0.024CC..Hα-helixtrans-56.3-49.2172.8-167-174.272.2169.10112E80 E1077 C1078 L1081 Q1184 T1185 G1190 L1191 I1192E80-K1188 IonicContact OE1-NZ 3.67Å; E80-K1188 PolarHBondContact OE1-NZ 2.9Å; E80-K1188 IonicContact OE2-NZ 2.73Å; E1077-K1188 HydrophobicContact CB-CD 4.12Å; E1077-K1188 HydrophobicContact CG-CD 3.9Å; E1077-K1188 HydrophobicContact CG-CG 4.37Å; E1077-K1188 VanDerWaalsContact OE2-CD 3.25Å; E1077-K1188 WeakPolarHBondContact OE2-CD 3.46Å; E1077-K1188 IonicContact OE2-NZ 2.69Å; E1077-K1188 PolarHBondContact OE2-NZ 3.45Å; C1078-K1188 VanDerWaalsContact SG-CB 3.51Å; L1081-K1188 HydrophobicContact CD1-CG 3.68Å; Q1184-K1188 WeakPolarHBondContact O-CB 3.49Å; Q1184-K1188 PolarHBondContact O-N 3.05Å; T1185-K1188 WeakPolarHBondContact O-CB 3.43Å; T1185-K1188 PolarHBondContact O-N 3.11Å; K1188-G1190 VanDerWaalsContact C-N 3.28Å; K1188-G1190 PolarHBondContact O-N 3.28Å; K1188-L1191 WeakPolarHBondContact O-CB 3.07Å; K1188-L1191 PolarHBondContact O-N 2.98Å; K1188-L1191 VanDerWaalsContact O-N 3.14Å; K1188-I1192 HydrophobicContact CG-CD1 4.18Å; K1188-I1192 WeakPolarHBondContact O-CG1 3.27Å; K1188-I1192 PolarHBondContact O-N 3.1Å
1189N95.7Very high94Very high3 Ų34.1 Ų4.12%0.0162%0.022CC..Hα-helixtrans-67.5-31.8-177.1-71.4-8.8000111.6M77 E80 T1185 V1186 I1192 A1193 V1316M77-N1189 HydrophobicContact CB-CB 4.34Å; M77-N1189 HydrophobicContact CE-CB 4.11Å; M77-N1189 WeakPolarHBondContact CE-O 3.4Å; M77-N1189 HydrophobicContact CG-CB 3.98Å; M77-N1189 HydrophobicContact SD-CB 3.97Å; E80-N1189 PolarHBondContact OE2-ND2 3.48Å; E80-N1189 PolarHBondContact OE2-OD1 3.28Å; T1185-N1189 WeakPolarHBondContact O-CB 3.19Å; T1185-N1189 PolarHBondContact O-N 2.85Å; V1186-N1189 PolarHBondContact O-N 3.42Å; N1189-I1192 PolarHBondContact O-N 2.95Å; N1189-A1193 WeakPolarHBondContact O-CB 3.38Å; N1189-A1193 PolarHBondContact O-N 3Å; N1189-V1316 VanDerWaalsContact C-CG1 3.46Å; N1189-V1316 HydrophobicContact CB-CG1 4.19Å; N1189-V1316 WeakPolarHBondContact O-CG1 3.44Å
1190G95.4Very high93.5Very high0 Ų05 Ų50%03%0.026CC..Hα-helixtrans-66.6-40.7169.100000114.3V1186 H1187 K1188 A1193 A1194 V1316V1186-G1190 PolarHBondContact O-N 2.77Å; H1187-G1190 PolarHBondContact O-N 3.28Å; K1188-G1190 VanDerWaalsContact C-N 3.28Å; K1188-G1190 PolarHBondContact O-N 3.28Å; G1190-A1193 PolarHBondContact O-N 3.42Å; G1190-A1194 WeakPolarHBondContact O-CB 3.39Å; G1190-A1194 PolarHBondContact O-N 2.78Å; G1190-V1316 VanDerWaalsContact CA-CG2 3.42Å
1191L95.9Very high92.7Very high0 Ų05 Ų50%03%0.026CC..Hα-helixtrans-59.1-47.6170.6-81.8161.1000111.3C1078 L1081 Y1085 L1099 H1187 K1188 A1193 A1194 I1195 I1264C1078-L1191 HydrophobicContact CB-CD1 4.39Å; L1081-L1191 HydrophobicContact CB-CB 3.97Å; L1081-L1191 HydrophobicContact CB-CD1 3.99Å; L1081-L1191 HydrophobicContact CB-CD2 4.45Å; L1081-L1191 HydrophobicContact CB-CG 4.37Å; L1081-L1191 HydrophobicContact CD1-CB 4.18Å; Y1085-L1191 HydrophobicContact CD2-CD2 4.13Å; Y1085-L1191 HydrophobicContact CG-CD2 3.96Å; L1099-L1191 HydrophobicContact CD1-CD2 3.82Å; H1187-L1191 PolarHBondContact O-N 3.23Å; K1188-L1191 WeakPolarHBondContact O-CB 3.07Å; K1188-L1191 PolarHBondContact O-N 2.98Å; K1188-L1191 VanDerWaalsContact O-N 3.14Å; L1191-A1193 PolarHBondContact O-N 3.13Å; L1191-A1194 PolarHBondContact O-N 3.27Å; L1191-I1195 WeakPolarHBondContact O-CB 3.35Å; L1191-I1195 WeakPolarHBondContact O-CD1 3.32Å; L1191-I1195 VanDerWaalsContact O-CG1 3.24Å; L1191-I1195 WeakPolarHBondContact O-CG1 3.39Å; L1191-I1195 PolarHBondContact O-N 3.26Å; L1191-I1264 HydrophobicContact CD2-CD1 3.52Å; L1191-I1264 HydrophobicContact CG-CD1 3.74Å
1192I94.7Very high91.7Very high0 Ų05.5 Ų5.50%03%0.03CC..Hα-helixtrans-58.4-49.3177.5-68.2172.8000111M77 W207 L1081 K1188 N1189 A1194 I1195 L1196 Q1635M77-I1192 HydrophobicContact CE-CB 3.97Å; M77-I1192 HydrophobicContact CE-CG2 3.61Å; W207-I1192 HydrophobicContact CH2-CB 4.34Å; W207-I1192 HydrophobicContact CH2-CD1 4.2Å; W207-I1192 HydrophobicContact CH2-CG1 3.71Å; W207-I1192 HydrophobicContact CH2-CG2 4.02Å; W207-I1192 HydrophobicContact CZ2-CD1 3.86Å; W207-I1192 HydrophobicContact CZ2-CG1 3.72Å; L1081-I1192 HydrophobicContact CD1-CD1 4.26Å; L1081-I1192 HydrophobicContact CD1-CG1 3.71Å; L1081-I1192 HydrophobicContact CD2-CG1 3.99Å; K1188-I1192 HydrophobicContact CG-CD1 4.18Å; K1188-I1192 WeakPolarHBondContact O-CG1 3.27Å; K1188-I1192 PolarHBondContact O-N 3.1Å; N1189-I1192 PolarHBondContact O-N 2.95Å; I1192-A1194 PolarHBondContact O-N 3.27Å; I1192-I1195 PolarHBondContact O-N 3.27Å; I1192-L1196 HydrophobicContact CG2-CD1 3.72Å; I1192-L1196 HydrophobicContact CG2-CG 4.47Å; I1192-L1196 WeakPolarHBondContact O-CB 3.4Å; I1192-L1196 WeakPolarHBondContact O-CG 3.31Å; I1192-L1196 PolarHBondContact O-N 3.4Å; I1192-Q1635 HydrophobicContact CD1-CB 4.29Å; I1192-Q1635 HydrophobicContact CD1-CG 4.4Å
1193A94.3Very high90Very high0 Ų05.6 Ų5.60%03%0.03CC..Hα-helixtrans-62.3-42.9179.800000112.2M77 N1189 G1190 L1191 L1197 V1316 A1319M77-A1193 HydrophobicContact CE-CB 4.39Å; N1189-A1193 WeakPolarHBondContact O-CB 3.38Å; N1189-A1193 PolarHBondContact O-N 3Å; G1190-A1193 PolarHBondContact O-N 3.42Å; L1191-A1193 PolarHBondContact O-N 3.13Å; A1193-L1197 VanDerWaalsContact O-CB 3.25Å; A1193-L1197 WeakPolarHBondContact O-CB 3.28Å; A1193-L1197 PolarHBondContact O-N 3.38Å; A1193-V1316 HydrophobicContact CB-CG1 3.97Å; A1193-A1319 HydrophobicContact CB-CB 3.93Å
1194A93.5Very high88.4Confident3 Ų37.8 Ų7.83%0.0255%0.049CC..Hα-helixtrans-61.5-47.2176.900000112.6Y1085 G1190 L1191 I1192 L1197 A1198 F1262Y1085-A1194 HydrophobicContact CD2-CB 3.97Å; Y1085-A1194 HydrophobicContact CE2-CB 3.88Å; G1190-A1194 WeakPolarHBondContact O-CB 3.39Å; G1190-A1194 PolarHBondContact O-N 2.78Å; L1191-A1194 PolarHBondContact O-N 3.27Å; I1192-A1194 PolarHBondContact O-N 3.27Å; A1194-L1197 PolarHBondContact O-N 3.01Å; A1194-A1198 WeakPolarHBondContact O-CB 3.38Å; A1194-A1198 PolarHBondContact O-N 2.91Å; A1194-F1262 HydrophobicContact CB-CB 3.8Å; A1194-F1262 HydrophobicContact CB-CD1 3.84Å; A1194-F1262 HydrophobicContact CB-CG 4.2Å
1195I92.1Very high87.1Confident1 Ų110.1 Ų10.11%0.0056%0.059CC..Hα-helixtrans-64.5-45.1-178.4-73.7163.9000111L1081 L1084 I1088 L1191 I1192 A1198 F1199L1081-I1195 HydrophobicContact CB-CD1 4.15Å; L1081-I1195 HydrophobicContact CD2-CD1 3.55Å; L1081-I1195 HydrophobicContact CG-CD1 4.48Å; L1081-I1195 WeakPolarHBondContact O-CD1 3.35Å; L1084-I1195 HydrophobicContact CB-CD1 4.17Å; L1084-I1195 HydrophobicContact CD2-CD1 4.13Å; L1084-I1195 HydrophobicContact CD2-CG2 3.77Å; L1084-I1195 HydrophobicContact CG-CD1 4.06Å; L1084-I1195 HydrophobicContact CG-CG1 4.38Å; L1084-I1195 HydrophobicContact CG-CG2 4.14Å; I1088-I1195 HydrophobicContact CD1-CB 4.39Å; I1088-I1195 HydrophobicContact CD1-CG1 4.08Å; I1088-I1195 HydrophobicContact CD1-CG2 4.06Å; L1191-I1195 WeakPolarHBondContact O-CB 3.35Å; L1191-I1195 WeakPolarHBondContact O-CD1 3.32Å; L1191-I1195 VanDerWaalsContact O-CG1 3.24Å; L1191-I1195 WeakPolarHBondContact O-CG1 3.39Å; L1191-I1195 PolarHBondContact O-N 3.26Å; I1192-I1195 PolarHBondContact O-N 3.27Å; I1195-A1198 PolarHBondContact O-N 2.99Å; I1195-F1199 HydrophobicContact CG2-CD2 3.74Å; I1195-F1199 HydrophobicContact CG2-CE2 3.77Å; I1195-F1199 VanDerWaalsContact O-CD2 3.24Å; I1195-F1199 WeakPolarHBondContact O-CD2 3.32Å; I1195-F1199 PolarHBondContact O-N 3.42Å
1196L90.9Very high85.8Confident4 Ų410.1 Ų10.12%0.0216%0.059CC..Hα-helixtrans-69.9-38.1179.1-66.6171.8000112.3Y210 I1192 A1198 F1199 N1200 A1323 L1636Y210-L1196 HydrophobicContact CE1-CD2 3.75Å; I1192-L1196 HydrophobicContact CG2-CD1 3.72Å; I1192-L1196 HydrophobicContact CG2-CG 4.47Å; I1192-L1196 WeakPolarHBondContact O-CB 3.4Å; I1192-L1196 WeakPolarHBondContact O-CG 3.31Å; I1192-L1196 PolarHBondContact O-N 3.4Å; L1196-A1198 VanDerWaalsContact C-N 3.32Å; L1196-A1198 PolarHBondContact O-N 3.36Å; L1196-F1199 PolarHBondContact O-N 3.48Å; L1196-N1200 VanDerWaalsContact O-CB 3.26Å; L1196-N1200 WeakPolarHBondContact O-CB 3.36Å; L1196-N1200 PolarHBondContact O-N 3.4Å; L1196-N1200 PolarHBondContact O-ND2 3.01Å; L1196-A1323 HydrophobicContact CB-CB 4.05Å; L1196-L1636 HydrophobicContact CD1-CD2 3.98Å; L1196-L1636 HydrophobicContact CD2-CD2 4.27Å
1197L91.2Very high84.3Confident11 Ų1112.9 Ų12.96%0.0588%0.075CC..Hα-helixtrans-60.8-43.8174.6-170.465.9000111.2A1193 A1194 G1201 A1319 R1322 A1323 I1326 L1400A1193-L1197 VanDerWaalsContact O-CB 3.25Å; A1193-L1197 WeakPolarHBondContact O-CB 3.28Å; A1193-L1197 PolarHBondContact O-N 3.38Å; A1194-L1197 PolarHBondContact O-N 3.01Å; L1197-G1201 PolarHBondContact O-N 3.25Å; L1197-A1319 HydrophobicContact CD2-CB 4.28Å; L1197-R1322 HydrophobicContact CD1-CB 3.79Å; L1197-A1323 HydrophobicContact CB-CB 4.12Å; L1197-A1323 HydrophobicContact CD1-CB 4.13Å; L1197-I1326 HydrophobicContact CD1-CD1 4.2Å; L1197-L1400 HydrophobicContact CD1-CD2 3.69Å; L1197-L1400 HydrophobicContact CD2-CD2 4.36Å; L1197-L1400 HydrophobicContact CG-CD2 4.13Å
1198A88.3Confident82.8Confident2 Ų215.8 Ų15.82%0.01710%0.098CC..Hα-helixtrans-63.7-47.8176.200000113I1088 M1092 A1194 I1195 L1196 N1200 G1201 Y1256I1088-A1198 HydrophobicContact CG2-CB 3.63Å; M1092-A1198 HydrophobicContact CE-CB 3.48Å; M1092-A1198 VanDerWaalsContact CE-CB 3.48Å; M1092-A1198 HydrophobicContact SD-CB 4.31Å; A1194-A1198 WeakPolarHBondContact O-CB 3.38Å; A1194-A1198 PolarHBondContact O-N 2.91Å; I1195-A1198 PolarHBondContact O-N 2.99Å; L1196-A1198 VanDerWaalsContact C-N 3.32Å; L1196-A1198 PolarHBondContact O-N 3.36Å; A1198-N1200 PolarHBondContact O-N 2.79Å; A1198-G1201 PolarHBondContact O-N 2.93Å; A1198-Y1256 WeakPolarHBondContact O-CD1 3.49Å
1199F84.2Confident81.2Confident8 Ų815.6 Ų15.64%0.03510%0.097CC..Hα-helixtrans-66.8-35.6179.8-84.5-62.8000113.7Y210 R213 M973 L1084 I1088 I1195 L1196 Y1256Y210-F1199 AromaticContact CD1-CD2 3.59Å; Y210-F1199 HydrophobicContact CD1-CD2 3.59Å; Y210-F1199 AromaticContact CD1-CE2 3.77Å; Y210-F1199 HydrophobicContact CD1-CE2 3.77Å; Y210-F1199 HydrophobicContact CD1-CG 4.15Å; Y210-F1199 HydrophobicContact CD1-CZ 4.48Å; Y210-F1199 HydrophobicContact CE1-CD2 4.39Å; Y210-F1199 HydrophobicContact CG-CD2 4.4Å; Y210-F1199 HydrophobicContact CG-CE2 4.17Å; Y210-F1199 VanDerWaalsContact O-CZ 3.31Å; Y210-F1199 WeakPolarHBondContact O-CZ 3.45Å; R213-F1199 HydrophobicContact CB-CE1 4.48Å; R213-F1199 VanDerWaalsContact CD-CE1 3.41Å; M973-F1199 HydrophobicContact CE-CB 4.23Å; M973-F1199 HydrophobicContact CE-CD1 3.7Å; M973-F1199 HydrophobicContact CE-CE1 4.18Å; M973-F1199 HydrophobicContact CE-CG 3.92Å; L1084-F1199 HydrophobicContact CD1-CE2 4.1Å; L1084-F1199 HydrophobicContact CD1-CZ 4.13Å; L1084-F1199 HydrophobicContact CD2-CE2 4.44Å; L1084-F1199 HydrophobicContact CG-CE2 4.47Å; I1088-F1199 HydrophobicContact CD1-CD2 4.07Å; I1088-F1199 HydrophobicContact CD1-CE2 3.45Å; I1088-F1199 VanDerWaalsContact CD1-CE2 3.45Å; I1088-F1199 HydrophobicContact CD1-CZ 3.86Å; I1088-F1199 HydrophobicContact CG1-CE2 4.3Å; I1088-F1199 HydrophobicContact CG1-CZ 4.22Å; I1195-F1199 HydrophobicContact CG2-CD2 3.74Å; I1195-F1199 HydrophobicContact CG2-CE2 3.77Å; I1195-F1199 VanDerWaalsContact O-CD2 3.24Å; I1195-F1199 WeakPolarHBondContact O-CD2 3.32Å; I1195-F1199 PolarHBondContact O-N 3.42Å; L1196-F1199 PolarHBondContact O-N 3.48Å; F1199-Y1256 HydrophobicContact CD1-CE1 4Å; F1199-Y1256 HydrophobicContact CE1-CE1 4.23Å; F1199-Y1256 VanDerWaalsContact CE1-OH 3.27Å; F1199-Y1256 WeakPolarHBondContact CE1-OH 3.38Å
1200N84.9Confident79.6Confident28 Ų2817.4 Ų17.415%0.1511%0.113CC..Hα-helixtrans-79.6-28.9-179.9-64.1-14.4000111.7L1196 A1198 C1202 A1323 I1326 E1327L1196-N1200 VanDerWaalsContact O-CB 3.26Å; L1196-N1200 WeakPolarHBondContact O-CB 3.36Å; L1196-N1200 PolarHBondContact O-N 3.4Å; L1196-N1200 PolarHBondContact O-ND2 3.01Å; A1198-N1200 PolarHBondContact O-N 2.79Å; N1200-C1202 PolarHBondContact O-N 2.96Å; N1200-A1323 PolarHBondContact ND2-O 2.95Å; N1200-I1326 HydrophobicContact CB-CB 4.31Å; N1200-I1326 HydrophobicContact CB-CG2 3.93Å; N1200-I1326 VanDerWaalsContact O-CG2 3.3Å; N1200-I1326 WeakPolarHBondContact O-CG2 3.37Å; N1200-E1327 WeakPolarHBondContact ND2-CB 3.49Å
1201G78.9Confident77.5Confident0 Ų020.4 Ų20.40%013%0.132CC..  trans-75.953.1177.200000115.2L1197 A1198 P1203 Y1257L1197-G1201 PolarHBondContact O-N 3.25Å; A1198-G1201 PolarHBondContact O-N 2.93Å; G1201-P1203 WeakPolarHBondContact O-CD 3.44Å; G1201-Y1257 PolarHBondContact O-N 2.74Å
1202C74.4Confident75.4Confident15 Ų1530.2 Ų30.210%0.10118%0.175CC..  trans-99.2109.4-173.7-177.60000112.9N1200 A1204 F1205 Q1255N1200-C1202 PolarHBondContact O-N 2.96Å; C1202-A1204 PolarHBondContact O-N 2.79Å; C1202-F1205 HydrophobicContact CB-CB 4.49Å; C1202-F1205 PolarHBondContact O-N 3.31Å; C1202-Q1255 PolarHBondContact SG-O 3.16Å; C1202-Q1255 VanDerWaalsContact SG-O 3.37Å
1203P61Low72.9Confident3 Ų334.8 Ų34.82%0.01920%0.202CC..Hα-helixtrans-56.9-41.7179.4-2431.5000114.5G1201 F1205 Y1206 T1207 L1252 A1254 Y1257 F1396G1201-P1203 WeakPolarHBondContact O-CD 3.44Å; P1203-F1205 PolarHBondContact O-N 3.16Å; P1203-F1205 VanDerWaalsContact O-N 3.17Å; P1203-Y1206 PolarHBondContact O-N 2.63Å; P1203-T1207 WeakPolarHBondContact O-CB 3.45Å; P1203-T1207 WeakPolarHBondContact O-CG2 3.43Å; P1203-T1207 PolarHBondContact O-N 3.19Å; P1203-T1207 PolarHBondContact O-OG1 2.57Å; P1203-L1252 WeakPolarHBondContact CB-O 3.4Å; P1203-A1254 WeakPolarHBondContact CD-O 3.42Å; P1203-A1254 WeakPolarHBondContact CG-O 3.18Å; P1203-Y1257 HydrophobicContact CG-CD2 4.33Å; P1203-F1396 HydrophobicContact CB-CZ 4.42Å; P1203-F1396 HydrophobicContact CG-CZ 4.03Å
1204A60.9Low70.2Confident49 Ų4944.5 Ų44.541%0.40524%0.244SC..Hα-helixtrans-62.9-22.8-175.300000113.9C1202 T1207C1202-A1204 PolarHBondContact O-N 2.79Å; A1204-T1207 WeakPolarHBondContact CA-OG1 3.37Å; A1204-T1207 PolarHBondContact O-OG1 2.63Å
1205F68.7Low67.5Low51 Ų5151 Ų5122%0.22428%0.279CS..Hα-helixtrans-78.3-55176.6173.5-93.8000111C1202 P1203 T1207 S1208 H1209 S1330 L1333 I1334C1202-F1205 HydrophobicContact CB-CB 4.49Å; C1202-F1205 PolarHBondContact O-N 3.31Å; P1203-F1205 PolarHBondContact O-N 3.16Å; P1203-F1205 VanDerWaalsContact O-N 3.17Å; F1205-T1207 VanDerWaalsContact C-N 3.35Å; F1205-T1207 PolarHBondContact O-N 2.94Å; F1205-S1208 WeakPolarHBondContact O-CB 3.41Å; F1205-S1208 PolarHBondContact O-N 3.29Å; F1205-S1208 VanDerWaalsContact O-N 3.12Å; F1205-S1208 PolarHBondContact O-OG 3.43Å; F1205-H1209 AromaticContact CD2-NE2 3.92Å; F1205-H1209 AromaticContact CE1-CD2 3.73Å; F1205-H1209 AromaticContact CE1-NE2 3.67Å; F1205-H1209 AromaticContact CE2-NE2 3.25Å; F1205-H1209 WeakPolarHBondContact CE2-NE2 3.36Å; F1205-H1209 AromaticContact CZ-CD2 3.67Å; F1205-H1209 AromaticContact CZ-NE2 3.1Å; F1205-H1209 WeakPolarHBondContact CZ-NE2 3.4Å; F1205-H1209 PolarHBondContact O-CD2 2.69Å; F1205-S1330 VanDerWaalsContact CE1-CB 3.46Å; F1205-S1330 WeakPolarHBondContact CZ-O 3.38Å; F1205-L1333 HydrophobicContact CE1-CB 4.47Å; F1205-L1333 HydrophobicContact CE1-CD1 4.2Å; F1205-L1333 HydrophobicContact CZ-CB 4.32Å; F1205-I1334 HydrophobicContact CE2-CD1 3.87Å; F1205-I1334 HydrophobicContact CE2-CG1 3.75Å; F1205-I1334 HydrophobicContact CZ-CD1 3.98Å; F1205-I1334 HydrophobicContact CZ-CG1 3.78Å
1206Y68.7Low64.9Low7 Ų754.7 Ų54.73%0.02732%0.317CS..Hα-helixtrans-64-37.2-178.8-81.4-99.2000112.9P1203 S1208 H1209 A1210 I1326 S1330 L1333 H1395 F1396P1203-Y1206 PolarHBondContact O-N 2.63Å; Y1206-S1208 PolarHBondContact O-N 3.24Å; Y1206-H1209 PolarHBondContact O-N 3.07Å; Y1206-H1209 VanDerWaalsContact O-N 3.15Å; Y1206-A1210 PolarHBondContact O-N 3.46Å; Y1206-I1326 HydrophobicContact CE2-CG2 4.32Å; Y1206-I1326 PolarHBondContact OH-O 3.24Å; Y1206-S1330 WeakPolarHBondContact CE2-OG 3.49Å; Y1206-S1330 PolarHBondContact OH-OG 3.21Å; Y1206-L1333 HydrophobicContact CD1-CD1 4Å; Y1206-L1333 HydrophobicContact CE1-CD1 3.61Å; Y1206-H1395 WeakPolarHBondContact CB-NE2 3.42Å; Y1206-H1395 AromaticContact CD1-CD2 3.87Å; Y1206-F1396 HydrophobicContact CD1-CD1 4.38Å; Y1206-F1396 HydrophobicContact CD2-CB 4.12Å; Y1206-F1396 AromaticContact CD2-CD1 3.43Å; Y1206-F1396 HydrophobicContact CD2-CD1 3.43Å; Y1206-F1396 VanDerWaalsContact CD2-CD1 3.43Å; Y1206-F1396 HydrophobicContact CD2-CE1 4.23Å; Y1206-F1396 HydrophobicContact CD2-CG 4.1Å; Y1206-F1396 HydrophobicContact CE1-CB 4.42Å; Y1206-F1396 HydrophobicContact CE2-CB 3.76Å; Y1206-F1396 AromaticContact CE2-CD1 3.98Å; Y1206-F1396 HydrophobicContact CE2-CD1 3.98Å; Y1206-F1396 HydrophobicContact CE2-CG 4.2Å; Y1206-F1396 AromaticContact CG-CD1 3.71Å; Y1206-F1396 HydrophobicContact CG-CD1 3.71Å; Y1206-F1396 HydrophobicContact CG-CE1 4.44Å
1207T64.6Low62Low59 Ų5962.5 Ų62.536%0.36236%0.358SS..Hα-helixtrans-62.3-27.2175.847.40000113.3P1203 A1204 F1205P1203-T1207 WeakPolarHBondContact O-CB 3.45Å; P1203-T1207 WeakPolarHBondContact O-CG2 3.43Å; P1203-T1207 PolarHBondContact O-N 3.19Å; P1203-T1207 PolarHBondContact O-OG1 2.57Å; A1204-T1207 WeakPolarHBondContact CA-OG1 3.37Å; A1204-T1207 PolarHBondContact O-OG1 2.63Å; F1205-T1207 VanDerWaalsContact C-N 3.35Å; F1205-T1207 PolarHBondContact O-N 2.94Å
1208S64.9Low59.3Low79 Ų7969.5 Ų69.555%0.55239%0.394SS*.Hα-helixtrans-73.9-28175.877.80000113.6F1205 Y1206F1205-S1208 WeakPolarHBondContact O-CB 3.41Å; F1205-S1208 PolarHBondContact O-N 3.29Å; F1205-S1208 VanDerWaalsContact O-N 3.12Å; F1205-S1208 PolarHBondContact O-OG 3.43Å; Y1206-S1208 PolarHBondContact O-N 3.24Å
1209H63.1Low56.4Low5 Ų580.3 Ų80.32%0.02343%0.434CS..Hα-helixtrans-91-7.8176.4-57.3-58.2000113.7F1205 Y1206 L1333 E1337 R1343F1205-H1209 AromaticContact CD2-NE2 3.92Å; F1205-H1209 AromaticContact CE1-CD2 3.73Å; F1205-H1209 AromaticContact CE1-NE2 3.67Å; F1205-H1209 AromaticContact CE2-NE2 3.25Å; F1205-H1209 WeakPolarHBondContact CE2-NE2 3.36Å; F1205-H1209 AromaticContact CZ-CD2 3.67Å; F1205-H1209 AromaticContact CZ-NE2 3.1Å; F1205-H1209 WeakPolarHBondContact CZ-NE2 3.4Å; F1205-H1209 PolarHBondContact O-CD2 2.69Å; Y1206-H1209 PolarHBondContact O-N 3.07Å; Y1206-H1209 VanDerWaalsContact O-N 3.15Å; H1209-L1333 HydrophobicContact CB-CD2 4.45Å; H1209-E1337 VanDerWaalsContact CE1-CD 3.49Å; H1209-E1337 IonicContact CE1-OE1 2.84Å; H1209-E1337 PolarHBondContact CE1-OE1 3.37Å; H1209-E1337 VanDerWaalsContact CE1-OE1 3.23Å; H1209-E1337 IonicContact ND1-OE1 3.85Å; H1209-E1337 PolarHBondContact ND1-OE1 2.65Å; H1209-R1343 PolarHBondContact O-NH2 2.84Å
1210A60.4Low53.8Low41 Ų4184.8 Ų84.834%0.33946%0.462SS..SBendtrans-65.5132.1178.500000111.6Y1206Y1206-A1210 PolarHBondContact O-N 3.46Å
1211P53Low51.3Low63 Ų6390 Ų9041%0.40950%0.495SS..  trans-66.3138.9178.727.2-34.9000111.3V1213 Y1351P1211-V1213 VanDerWaalsContact C-N 3.29Å; P1211-V1213 PolarHBondContact O-N 3.36Å; P1211-Y1351 HydrophobicContact CG-CE1 3.83Å; P1211-Y1351 WeakPolarHBondContact CG-OH 3.48Å
1212K50.2Low49Very low206 Ų20696.4 Ų96.490%0.89653%0.529SS*.  trans-74.377.7179.5-66.2178-179.3175.30111K1214K1212-K1214 PolarHBondContact O-N 3.27Å
1213V42.4Very low47Very low95 Ų95102.5 Ų102.558%0.57657%0.566SS**  trans-57128-177.8179.60000110.8P1211 Y1351P1211-V1213 VanDerWaalsContact C-N 3.29Å; P1211-V1213 PolarHBondContact O-N 3.36Å; V1213-Y1351 HydrophobicContact CG2-CE1 4.44Å
1214K39Very low45.3Very low204 Ų204105.6 Ų105.689%0.88760%0.598SS**  trans-91.5-2.8-170.3-125.2174.6-171.4168.80115.1K1212K1212-K1214 PolarHBondContact O-N 3.27Å
1215N35.1Very low44Very low140 Ų140110.7 Ų110.775%0.74962%0.619SS**SBendtrans-106.8129.5-176.2-66.6-3.7000109.3L1217N1215-L1217 PolarHBondContact O-N 2.64Å
1216G38.1Very low42.1Very low78 Ų78116.4 Ų116.480%0.80465%0.651SS**  trans-75.6110.8-167.400000114.4
1217L31Very low40.1Very low168 Ų168121.5 Ų121.588%0.8869%0.688SS**  trans-134.135156.7-153.674.4000113.2N1215N1215-L1217 PolarHBondContact O-N 2.64Å
1218I32.6Very low38.4Very low158 Ų158125.4 Ų125.481%0.8171%0.705SS**  trans-117.495.1149.9-58.1178.2000105.4T1220I1218-T1220 PolarHBondContact O-N 2.81Å
1219R27.8Very low36.6Very low230 Ų230127.6 Ų127.687%0.86871%0.711SS**  trans-74104.1166.9-81-176.4171.3-179.9-3.2107.2V1221R1219-V1221 PolarHBondContact O-N 3.35Å
1220T30Very low35.1Very low102 Ų102135 Ų13563%0.62675%0.751SS**  trans-55.1133.2157.844.10000107.9I1218 D1222I1218-T1220 PolarHBondContact O-N 2.81Å; T1220-D1222 PolarHBondContact O-N 2.84Å; T1220-D1222 PolarHBondContact OG1-OD2 2.95Å
1221V32.6Very low33.5Very low137 Ų137139.6 Ų139.683%0.8377%0.769SS**  trans-84.365.8-174.3-1700000109.1R1219 T1223R1219-V1221 PolarHBondContact O-N 3.35Å; V1221-T1223 PolarHBondContact O-N 3.41Å
1222D29.7Very low32.2Very low135 Ų135145.1 Ų145.172%0.72279%0.79SS**  trans-68.2115.5176.2-71.2-60.1000109.5T1220 G1224T1220-D1222 PolarHBondContact O-N 2.84Å; T1220-D1222 PolarHBondContact OG1-OD2 2.95Å; D1222-G1224 PolarHBondContact O-N 2.89Å
1223T32.9Very low31.4Very low143 Ų143142.1 Ų142.188%0.87779%0.789SS**  trans-69.5110.7-171.4-64.50000110.5V1221V1221-T1223 PolarHBondContact O-N 3.41Å
1224G26.5Very low30.9Very low67 Ų67142.2 Ų142.269%0.69179%0.793SS**  trans-146.2114.7-179.300000112.2D1222 N1226D1222-G1224 PolarHBondContact O-N 2.89Å; G1224-N1226 PolarHBondContact O-N 3.24Å
1225N32.2Very low30.4Very low157 Ų157139.7 Ų139.784%0.8479%0.789SS**  trans-61.7124.6178.6-71.3-24.7000111.8
1226N29.5Very low30.3Very low170 Ų170137.3 Ų137.391%0.90979%0.79SS**  trans-154.1130.9135.3-97.4-36.5000109.5G1224G1224-N1226 PolarHBondContact O-N 3.24Å
1227S26.4Very low30.1Very low115 Ų115144.9 Ų144.980%0.80479%0.794SS**  trans-103-171.6-179.6-167.90000110.5
1228I28.6Very low30.3Very low140 Ų140144.2 Ų144.272%0.71879%0.79SS**  trans92.6104.2167.6-53.8172.6000115.7
1229N27.6Very low30.4Very low125 Ų125142 Ų14267%0.66878%0.783SS**  trans60.3113.7146.2-55.41000120.4
1230N30.8Very low30.8Very low161 Ų161135.6 Ų135.686%0.86177%0.771SS**  -151.5158.283.1-88.6-26.9000111.2
1231N27.2Very low31.2Very low137 Ų137135.8 Ų135.873%0.73377%0.768SS**  trans-98.3178.3-172.4-70.1-19.5000112.9
1232E26.8Very low31.6Very low180 Ų180133.6 Ų133.684%0.84176%0.757SS**  trans65.697166.4-66159.2-14000113.7
1233V33.8Very low32.1Very low143 Ų143131.9 Ų131.987%0.86775%0.748SS**  -142.5141.370.71630000112.6
1234S30.3Very low32.5Very low97 Ų97129.1 Ų129.168%0.67873%0.731SS**  trans-105.9159.9164.3-44.30000109.2
1235D28.2Very low33.2Very low150 Ų150130 Ų13080%0.80272%0.722SS**  cis-143.2143.213.6-95.7-62.1000111.2
1236A34.1Very low33.6Very low91 Ų91127.8 Ų127.875%0.75271%0.707SS**  trans169.369.9155.800000110.2I1238A1236-I1238 VanDerWaalsContact C-N 3.34Å; A1236-I1238 PolarHBondContact O-N 2.93Å
1237R32.7Very low34.2Very low236 Ų236124.7 Ų124.789%0.89168%0.683SS**  trans-75.978.6-177.2-71.9-175176.4175.50.9113V1239R1237-V1239 PolarHBondContact O-N 2.97Å; R1237-V1239 VanDerWaalsContact O-N 3.11Å
1238I35.8Very low35Very low155 Ų155121.5 Ų121.580%0.79566%0.66SS**  trans-71.697.2155.6-59.7175.8000107.1A1236 P1240A1236-I1238 VanDerWaalsContact C-N 3.34Å; A1236-I1238 PolarHBondContact O-N 2.93Å; I1238-P1240 WeakPolarHBondContact O-CD 3.21Å
1239V34.8Very low35.7Very low111 Ų111118.7 Ų118.767%0.67365%0.65SS**PPolyproline II helixtrans-68.2124.5166.5178.80000107.2R1237 N1241R1237-V1239 PolarHBondContact O-N 2.97Å; R1237-V1239 VanDerWaalsContact O-N 3.11Å; V1239-N1241 PolarHBondContact O-N 3.42Å
1240P37.2Very low36.7Very low96 Ų96119.4 Ų119.462%0.62365%0.649SS**PPolyproline II helixtrans-62.6121.9175.6-20.732.9000109.7I1238I1238-P1240 WeakPolarHBondContact O-CD 3.21Å
1241N37.8Very low37.9Very low105 Ų105113.3 Ų113.356%0.56162%0.615SS**PPolyproline II helixtrans-60.4132.4175.8-100.5-14.9000109.4V1239 L1243 T1244V1239-N1241 PolarHBondContact O-N 3.42Å; N1241-L1243 PolarHBondContact O-N 2.84Å; N1241-L1243 VanDerWaalsContact O-N 3.16Å; N1241-T1244 WeakPolarHBondContact O-CB 3.46Å; N1241-T1244 PolarHBondContact O-N 3.34Å; N1241-T1244 PolarHBondContact O-OG1 3.47Å
1242P41.8Very low39Very low91 Ų91109.8 Ų109.859%0.59160%0.596SS**Hα-helixtrans-53.4-38.4176.4-28.335.7000112.4T1244 V1245 E1246P1242-T1244 PolarHBondContact O-N 3.05Å; P1242-T1244 VanDerWaalsContact O-N 3.12Å; P1242-V1245 PolarHBondContact O-N 2.93Å; P1242-E1246 PolarHBondContact O-N 3.47Å
1243L38.8Very low40.2Very low100 Ų100107.7 Ų107.752%0.52459%0.59SS.*Hα-helixtrans-52.9-30.4173.8-70169.1000113.9N1241 R1247N1241-L1243 PolarHBondContact O-N 2.84Å; N1241-L1243 VanDerWaalsContact O-N 3.16Å; L1243-R1247 WeakPolarHBondContact O-CB 3.43Å; L1243-R1247 WeakPolarHBondContact O-CG 3.34Å; L1243-R1247 PolarHBondContact O-N 3.33Å
1244T41Very low41.4Very low85 Ų85102.3 Ų102.352%0.52156%0.561SS.*Hα-helixtrans-77.1-31179-32.70000111.9N1241 P1242 S1248N1241-T1244 WeakPolarHBondContact O-CB 3.46Å; N1241-T1244 PolarHBondContact O-N 3.34Å; N1241-T1244 PolarHBondContact O-OG1 3.47Å; P1242-T1244 PolarHBondContact O-N 3.05Å; P1242-T1244 VanDerWaalsContact O-N 3.12Å; T1244-S1248 WeakPolarHBondContact O-CB 3.47Å; T1244-S1248 PolarHBondContact O-N 2.97Å; T1244-S1248 VanDerWaalsContact O-N 3.15Å; T1244-S1248 PolarHBondContact O-OG 3.44Å
1245V42.3Very low43.2Very low85 Ų85103 Ų10352%0.51555%0.554SS.*Hα-helixtrans-79.4-38.2176.2-175.10000110.6P1242 S1248 T1249P1242-V1245 PolarHBondContact O-N 2.93Å; V1245-S1248 PolarHBondContact O-OG 3.5Å; V1245-T1249 WeakPolarHBondContact O-CG2 3.5Å; V1245-T1249 PolarHBondContact O-N 2.97Å; V1245-T1249 VanDerWaalsContact O-N 3.17Å; V1245-T1249 PolarHBondContact O-OG1 2.96Å
1246E39.7Very low45.3Very low111 Ų11196.4 Ų96.452%0.51952%0.518SS..Hα-helixtrans-67-48.1170.7-69.7-177.4143.800111.6P1242 S1248 T1249 H1250P1242-E1246 PolarHBondContact O-N 3.47Å; E1246-S1248 PolarHBondContact O-N 2.81Å; E1246-T1249 PolarHBondContact O-N 3.21Å; E1246-T1249 PolarHBondContact O-OG1 2.97Å; E1246-H1250 WeakPolarHBondContact O-CB 3.1Å; E1246-H1250 PolarHBondContact O-CD2 3.11Å; E1246-H1250 VanDerWaalsContact O-CD2 3.3Å; E1246-H1250 PolarHBondContact O-N 2.74Å
1247R43.3Very low47.5Very low105 Ų10592.2 Ų92.240%0.39648%0.482SS..Hα-helixtrans-53.3-52.5175.4-81.3173.5176173.70.9110.8D1129 L1243 T1249 H1250 Q1251D1129-R1247 IonicContact OD1-NH1 2.76Å; D1129-R1247 PolarHBondContact OD1-NH1 3.04Å; D1129-R1247 IonicContact OD1-NH2 3.65Å; L1243-R1247 WeakPolarHBondContact O-CB 3.43Å; L1243-R1247 WeakPolarHBondContact O-CG 3.34Å; L1243-R1247 PolarHBondContact O-N 3.33Å; R1247-T1249 PolarHBondContact O-N 3.09Å; R1247-H1250 PolarHBondContact O-N 3.4Å; R1247-Q1251 VanDerWaalsContact O-CB 3.22Å; R1247-Q1251 WeakPolarHBondContact O-CB 3.48Å; R1247-Q1251 WeakPolarHBondContact O-CG 3.22Å; R1247-Q1251 PolarHBondContact O-N 3.37Å; R1247-Q1251 PolarHBondContact O-OE1 3.46Å
1248S43Very low49.7Very low48 Ų4882 Ų8234%0.33645%0.446SS..Hα-helixtrans-66.6-30.7-176.751.80000114.5T1244 V1245 E1246T1244-S1248 WeakPolarHBondContact O-CB 3.47Å; T1244-S1248 PolarHBondContact O-N 2.97Å; T1244-S1248 VanDerWaalsContact O-N 3.15Å; T1244-S1248 PolarHBondContact O-OG 3.44Å; V1245-S1248 PolarHBondContact O-OG 3.5Å; E1246-S1248 PolarHBondContact O-N 2.81Å
1249T43.2Very low51.8Low81 Ų8175.8 Ų75.850%0.49741%0.414SS..Hα-helixtrans-80.5-35.7175.549.20000113.1V1245 E1246 R1247V1245-T1249 WeakPolarHBondContact O-CG2 3.5Å; V1245-T1249 PolarHBondContact O-N 2.97Å; V1245-T1249 VanDerWaalsContact O-N 3.17Å; V1245-T1249 PolarHBondContact O-OG1 2.96Å; E1246-T1249 PolarHBondContact O-N 3.21Å; E1246-T1249 PolarHBondContact O-OG1 2.97Å; R1247-T1249 PolarHBondContact O-N 3.09Å
1250H48.1Very low54.3Low139 Ų13970.5 Ų70.564%0.64438%0.382SS*.Hα-helixtrans-73.3-38.7174.4-81.6-83.9000112.9E1246 R1247 L1252 N1253 A1254E1246-H1250 WeakPolarHBondContact O-CB 3.1Å; E1246-H1250 PolarHBondContact O-CD2 3.11Å; E1246-H1250 VanDerWaalsContact O-CD2 3.3Å; E1246-H1250 PolarHBondContact O-N 2.74Å; R1247-H1250 PolarHBondContact O-N 3.4Å; H1250-L1252 VanDerWaalsContact C-N 3.33Å; H1250-L1252 PolarHBondContact O-N 2.82Å; H1250-N1253 PolarHBondContact O-N 2.74Å; H1250-A1254 PolarHBondContact O-N 3.19Å
1251Q55.2Low56.7Low34 Ų3466.6 Ų66.616%0.15936%0.355CS..Hα-helixtrans-59.8-36.5-179.2-81.1169.6-32.100113.4R1247 N1253 A1254 P1258R1247-Q1251 VanDerWaalsContact O-CB 3.22Å; R1247-Q1251 WeakPolarHBondContact O-CB 3.48Å; R1247-Q1251 WeakPolarHBondContact O-CG 3.22Å; R1247-Q1251 PolarHBondContact O-N 3.37Å; R1247-Q1251 PolarHBondContact O-OE1 3.46Å; Q1251-N1253 PolarHBondContact O-N 3.39Å; Q1251-A1254 WeakPolarHBondContact O-CB 3.19Å; Q1251-A1254 PolarHBondContact O-N 2.79Å; Q1251-P1258 HydrophobicContact CG-CG 4.31Å
1252L51.9Low59.2Low62 Ų6262.4 Ų62.433%0.32533%0.332SS..THydrogen-bonded Turntrans-67.6-22.2-178.6-71.5171.8000113.7P1203 H1250 A1352P1203-L1252 WeakPolarHBondContact CB-O 3.4Å; H1250-L1252 VanDerWaalsContact C-N 3.33Å; H1250-L1252 PolarHBondContact O-N 2.82Å; L1252-A1352 HydrophobicContact CD2-CB 4.01Å
1253N50.5Low61.5Low136 Ų13658.2 Ų58.273%0.72731%0.305SS*.THydrogen-bonded Turntrans-1040.5175.9-67.7-47.3000113H1250 Q1251H1250-N1253 PolarHBondContact O-N 2.74Å; Q1251-N1253 PolarHBondContact O-N 3.39Å
1254A60.8Low64.1Low31 Ų3153.4 Ų53.426%0.25628%0.28SS..SBendtrans-67.7149.8176.100000111P1203 H1250 Q1251 Y1256P1203-A1254 WeakPolarHBondContact CD-O 3.42Å; P1203-A1254 WeakPolarHBondContact CG-O 3.18Å; H1250-A1254 PolarHBondContact O-N 3.19Å; Q1251-A1254 WeakPolarHBondContact O-CB 3.19Å; Q1251-A1254 PolarHBondContact O-N 2.79Å; A1254-Y1256 WeakPolarHBondContact CB-O 3.32Å; A1254-Y1256 PolarHBondContact O-N 3.32Å
1255Q66.6Low66.4Low112 Ų11250 Ų5052%0.52326%0.258SS..SBendtrans-69.1-26.2175.8-66.7-173.1-1.900112.5C1202C1202-Q1255 PolarHBondContact SG-O 3.16Å; C1202-Q1255 VanDerWaalsContact SG-O 3.37Å
1256Y73.8Confident68.6Low11 Ų1147 Ų474%0.04324%0.239CC..SBendtrans-133.9139.6-177.7-62-79.8000109.1R213 D214 Q1091 M1092 A1198 F1199 A1254R213-Y1256 PolarHBondContact NH1-OH 3.35Å; R213-Y1256 VanDerWaalsContact NH1-OH 3.15Å; D214-Y1256 PolarHBondContact OD2-OH 2.66Å; Q1091-Y1256 HydrophobicContact CB-CD2 4.18Å; Q1091-Y1256 HydrophobicContact CB-CE2 4.11Å; M1092-Y1256 HydrophobicContact CE-CD1 4.24Å; M1092-Y1256 HydrophobicContact CE-CG 4.36Å; M1092-Y1256 HydrophobicContact CG-CG 4.18Å; A1198-Y1256 WeakPolarHBondContact O-CD1 3.49Å; F1199-Y1256 HydrophobicContact CD1-CE1 4Å; F1199-Y1256 HydrophobicContact CE1-CE1 4.23Å; F1199-Y1256 VanDerWaalsContact CE1-OH 3.27Å; F1199-Y1256 WeakPolarHBondContact CE1-OH 3.38Å; A1254-Y1256 WeakPolarHBondContact CB-O 3.32Å; A1254-Y1256 PolarHBondContact O-N 3.32Å
1257Y79.5Confident71Confident3 Ų342.5 Ų42.51%0.01222%0.218CC..  trans-88.9126.8176.1-169.9-116.6000110.5G1201 P1203 E1259 A1260 F1353 F1396 I1397 L1400 F1401G1201-Y1257 PolarHBondContact O-N 2.74Å; P1203-Y1257 HydrophobicContact CG-CD2 4.33Å; Y1257-E1259 VanDerWaalsContact C-N 3.33Å; Y1257-E1259 HydrophobicContact CD1-CB 4.12Å; Y1257-E1259 HydrophobicContact CE1-CB 3.72Å; Y1257-E1259 HydrophobicContact CE1-CG 4.33Å; Y1257-E1259 WeakPolarHBondContact CE1-OE2 3.34Å; Y1257-E1259 PolarHBondContact O-N 3.02Å; Y1257-E1259 PolarHBondContact OH-OE2 3.22Å; Y1257-A1260 VanDerWaalsContact O-CB 3.29Å; Y1257-A1260 WeakPolarHBondContact O-CB 3.46Å; Y1257-A1260 PolarHBondContact O-N 3.32Å; Y1257-F1353 HydrophobicContact CE2-CZ 4.35Å; Y1257-F1353 WeakPolarHBondContact OH-CE1 3.19Å; Y1257-F1353 VanDerWaalsContact OH-CZ 3.25Å; Y1257-F1353 WeakPolarHBondContact OH-CZ 3.25Å; Y1257-F1396 AromaticContact CD1-CE2 3.96Å; Y1257-F1396 HydrophobicContact CD1-CE2 3.96Å; Y1257-F1396 HydrophobicContact CD1-CZ 4.43Å; Y1257-F1396 HydrophobicContact CD2-CZ 4.5Å; Y1257-F1396 AromaticContact CG-CE2 3.9Å; Y1257-F1396 HydrophobicContact CG-CE2 3.9Å; Y1257-F1396 HydrophobicContact CG-CZ 4.03Å; Y1257-I1397 HydrophobicContact CD1-CD1 4.48Å; Y1257-I1397 HydrophobicContact CD1-CG1 4.09Å; Y1257-I1397 HydrophobicContact CD2-CD1 4.18Å; Y1257-I1397 HydrophobicContact CE1-CD1 4.08Å; Y1257-I1397 HydrophobicContact CE1-CG1 3.85Å; Y1257-I1397 HydrophobicContact CE1-CG2 4.06Å; Y1257-I1397 HydrophobicContact CE2-CD1 3.77Å; Y1257-I1397 HydrophobicContact CE2-CG1 4.4Å; Y1257-I1397 HydrophobicContact CG-CG1 4.47Å; Y1257-L1400 HydrophobicContact CD1-CD1 3.64Å; Y1257-L1400 HydrophobicContact CE1-CD1 4.08Å; Y1257-F1401 HydrophobicContact CE1-CZ 4.48Å
1258P78.1Confident73.2Confident20 Ų2037.6 Ų37.613%0.1320%0.199CC..G310 helixtrans-57.7-39.2-172.6-2937.6000114.4F1094 T1125 Q1251 A1260 F1261F1094-P1258 HydrophobicContact CE2-CB 4.15Å; F1094-P1258 HydrophobicContact CZ-CB 4.12Å; T1125-P1258 HydrophobicContact CG2-CB 3.72Å; Q1251-P1258 HydrophobicContact CG-CG 4.31Å; P1258-A1260 PolarHBondContact O-N 3.35Å; P1258-F1261 WeakPolarHBondContact O-CB 3.44Å; P1258-F1261 PolarHBondContact O-N 3.47Å
1259E81.2Confident75.4Confident26 Ų2635.9 Ų35.912%0.12119%0.189CC..G310 helixtrans-76.51.5178.9-61.484.7164.200114.3T1125 Y1257 F1261 F1401T1125-E1259 WeakPolarHBondContact CB-OE1 3.27Å; T1125-E1259 VanDerWaalsContact CG2-CD 3.44Å; T1125-E1259 HydrophobicContact CG2-CG 3.92Å; T1125-E1259 WeakPolarHBondContact CG2-OE1 3.39Å; T1125-E1259 VanDerWaalsContact OG1-CD 3.31Å; T1125-E1259 WeakPolarHBondContact OG1-CG 3.33Å; T1125-E1259 PolarHBondContact OG1-OE1 3.22Å; Y1257-E1259 VanDerWaalsContact C-N 3.33Å; Y1257-E1259 HydrophobicContact CD1-CB 4.12Å; Y1257-E1259 HydrophobicContact CE1-CB 3.72Å; Y1257-E1259 HydrophobicContact CE1-CG 4.33Å; Y1257-E1259 WeakPolarHBondContact CE1-OE2 3.34Å; Y1257-E1259 PolarHBondContact O-N 3.02Å; Y1257-E1259 PolarHBondContact OH-OE2 3.22Å; E1259-F1261 VanDerWaalsContact C-N 3.31Å; E1259-F1401 HydrophobicContact CB-CE1 4.07Å; E1259-F1401 HydrophobicContact CB-CZ 3.94Å; E1259-F1401 HydrophobicContact CG-CE1 4.36Å; E1259-F1401 HydrophobicContact CG-CZ 4.09Å
1260A86.2Confident77.5Confident0 Ų032.8 Ų32.80%017%0.171CC..G310 helixtrans-83-7.6163.500000112.7M1092 Y1257 P1258 F1262 L1400M1092-A1260 HydrophobicContact CE-CB 4.22Å; Y1257-A1260 VanDerWaalsContact O-CB 3.29Å; Y1257-A1260 WeakPolarHBondContact O-CB 3.46Å; Y1257-A1260 PolarHBondContact O-N 3.32Å; P1258-A1260 PolarHBondContact O-N 3.35Å; A1260-F1262 PolarHBondContact O-N 3.28Å; A1260-L1400 HydrophobicContact CB-CD1 4.02Å; A1260-L1400 HydrophobicContact CB-CD2 4.35Å
1261F88.5Confident79.5Confident13 Ų1326.2 Ų26.26%0.05714%0.14CC..  trans-74.2119.9177.2-173.4-126.8000111.5Y1085 S1089 M1092 F1094 H1098 I1124 P1258 E1259Y1085-F1261 HydrophobicContact CE1-CE2 4.3Å; Y1085-F1261 HydrophobicContact CE1-CZ 4.32Å; Y1085-F1261 HydrophobicContact CE2-CE2 4.08Å; Y1085-F1261 AromaticContact CZ-CE2 3.79Å; Y1085-F1261 AromaticContact CZ-CZ 3.91Å; S1089-F1261 WeakPolarHBondContact OG-CZ 3.28Å; M1092-F1261 HydrophobicContact CE-CB 4.39Å; M1092-F1261 HydrophobicContact SD-CB 3.71Å; M1092-F1261 HydrophobicContact SD-CD2 3.72Å; M1092-F1261 HydrophobicContact SD-CG 4.04Å; F1094-F1261 HydrophobicContact CB-CD1 3.88Å; F1094-F1261 HydrophobicContact CB-CE1 3.41Å; F1094-F1261 VanDerWaalsContact CB-CE1 3.41Å; F1094-F1261 HydrophobicContact CB-CZ 3.8Å; F1094-F1261 AromaticContact CD1-CD1 3.79Å; F1094-F1261 HydrophobicContact CD1-CD1 3.79Å; F1094-F1261 AromaticContact CD1-CE1 3.92Å; F1094-F1261 HydrophobicContact CD1-CE1 3.92Å; F1094-F1261 HydrophobicContact CD2-CB 3.88Å; F1094-F1261 AromaticContact CD2-CD1 3.22Å; F1094-F1261 HydrophobicContact CD2-CD1 3.22Å; F1094-F1261 HydrophobicContact CD2-CD2 4.24Å; F1094-F1261 AromaticContact CD2-CE1 3.74Å; F1094-F1261 HydrophobicContact CD2-CE1 3.74Å; F1094-F1261 AromaticContact CD2-CG 3.54Å; F1094-F1261 HydrophobicContact CD2-CG 3.54Å; F1094-F1261 HydrophobicContact CD2-CZ 4.42Å; F1094-F1261 HydrophobicContact CE1-CD1 4.09Å; F1094-F1261 HydrophobicContact CE2-CB 3.58Å; F1094-F1261 AromaticContact CE2-CD1 3.57Å; F1094-F1261 HydrophobicContact CE2-CD1 3.57Å; F1094-F1261 HydrophobicContact CE2-CE1 4.47Å; F1094-F1261 AromaticContact CE2-CG 3.77Å; F1094-F1261 HydrophobicContact CE2-CG 3.77Å; F1094-F1261 AromaticContact CG-CD1 3.35Å; F1094-F1261 HydrophobicContact CG-CD1 3.35Å; F1094-F1261 AromaticContact CG-CE1 3.43Å; F1094-F1261 HydrophobicContact CG-CE1 3.43Å; F1094-F1261 VanDerWaalsContact CG-CE1 3.43Å; F1094-F1261 HydrophobicContact CG-CG 4.13Å; F1094-F1261 HydrophobicContact CG-CZ 4.22Å; F1094-F1261 HydrophobicContact CZ-CB 4.29Å; F1094-F1261 AromaticContact CZ-CD1 4Å; F1094-F1261 HydrophobicContact CZ-CD1 4Å; H1098-F1261 HydrophobicContact CB-CE1 3.83Å; H1098-F1261 HydrophobicContact CB-CZ 3.74Å; H1098-F1261 AromaticContact CD2-CE1 3.9Å; H1098-F1261 AromaticContact CG-CE1 3.71Å; I1124-F1261 HydrophobicContact CD1-CD1 3.46Å; I1124-F1261 VanDerWaalsContact CD1-CD1 3.46Å; I1124-F1261 HydrophobicContact CD1-CE1 4.04Å; I1124-F1261 HydrophobicContact CD1-CG 4.39Å; I1124-F1261 HydrophobicContact CG1-CD1 4.36Å; P1258-F1261 WeakPolarHBondContact O-CB 3.44Å; P1258-F1261 PolarHBondContact O-N 3.47Å; E1259-F1261 VanDerWaalsContact C-N 3.31Å
1262F89.6Confident81.1Confident17 Ų1726.1 Ų26.18%0.07514%0.139CC..  trans-99.1101175.8-179.9-87.8000109.2Y1085 A1194 A1260 I1264 E1267 Y1312 V1316 A1319Y1085-F1262 WeakPolarHBondContact CE2-O 3.21Å; Y1085-F1262 PolarHBondContact OH-O 3.12Å; A1194-F1262 HydrophobicContact CB-CB 3.8Å; A1194-F1262 HydrophobicContact CB-CD1 3.84Å; A1194-F1262 HydrophobicContact CB-CG 4.2Å; A1260-F1262 PolarHBondContact O-N 3.28Å; F1262-I1264 HydrophobicContact CD1-CG1 4.26Å; F1262-I1264 HydrophobicContact CE1-CG1 4.37Å; F1262-I1264 PolarHBondContact O-N 3.06Å; F1262-E1267 HydrophobicContact CD2-CG 4.07Å; F1262-E1267 HydrophobicContact CE1-CB 4.05Å; F1262-E1267 HydrophobicContact CE1-CG 4.14Å; F1262-E1267 HydrophobicContact CE2-CB 4.16Å; F1262-E1267 HydrophobicContact CE2-CG 3.59Å; F1262-E1267 HydrophobicContact CZ-CB 3.67Å; F1262-E1267 HydrophobicContact CZ-CG 3.64Å; F1262-Y1312 HydrophobicContact CE1-CE2 4.49Å; F1262-Y1312 HydrophobicContact CZ-CE2 4.48Å; F1262-V1316 HydrophobicContact CZ-CG2 4.41Å; F1262-A1319 HydrophobicContact CD2-CB 3.64Å; F1262-A1319 HydrophobicContact CE2-CB 3.72Å; F1262-A1319 HydrophobicContact CG-CB 4.34Å; F1262-A1319 HydrophobicContact CZ-CB 4.48Å
1263S90.5Very high82.9Confident3 Ų324.2 Ų24.22%0.02113%0.129CC..  trans-76.3110.9178.3176.60000111.3Y1085 H1098 Q1265 L1266 E1267Y1085-S1263 WeakPolarHBondContact OH-CA 3.5Å; H1098-S1263 WeakPolarHBondContact CB-OG 3.48Å; H1098-S1263 PolarHBondContact ND1-OG 3.29Å; H1098-S1263 PolarHBondContact O-OG 3.48Å; S1263-Q1265 VanDerWaalsContact C-N 3.26Å; S1263-Q1265 PolarHBondContact O-N 3.38Å; S1263-L1266 PolarHBondContact O-N 2.98Å; S1263-L1266 VanDerWaalsContact O-N 3.12Å; S1263-E1267 PolarHBondContact O-N 3.36Å; S1263-E1267 VanDerWaalsContact O-N 3.08Å
1264I92.3Very high84.7Confident0 Ų021.5 Ų21.50%011%0.108CC..Hα-helixtrans-57.8-38.9177.6-68.7168.4000111.4Y1085 H1098 L1099 L1191 F1262 L1266 K1268Y1085-I1264 HydrophobicContact CD2-CD1 3.95Å; Y1085-I1264 HydrophobicContact CE2-CD1 3.65Å; Y1085-I1264 HydrophobicContact CE2-CG1 3.98Å; Y1085-I1264 PolarHBondContact OH-N 3.17Å; H1098-I1264 PolarHBondContact O-N 3.34Å; L1099-I1264 HydrophobicContact CD1-CD1 3.66Å; L1191-I1264 HydrophobicContact CD2-CD1 3.52Å; L1191-I1264 HydrophobicContact CG-CD1 3.74Å; F1262-I1264 HydrophobicContact CD1-CG1 4.26Å; F1262-I1264 HydrophobicContact CE1-CG1 4.37Å; F1262-I1264 PolarHBondContact O-N 3.06Å; I1264-L1266 PolarHBondContact O-N 3.29Å; I1264-K1268 HydrophobicContact CG2-CD 3.79Å; I1264-K1268 VanDerWaalsContact CG2-CE 3.5Å; I1264-K1268 HydrophobicContact CG2-CG 4.17Å; I1264-K1268 VanDerWaalsContact O-CB 3.3Å; I1264-K1268 WeakPolarHBondContact O-CB 3.38Å; I1264-K1268 WeakPolarHBondContact O-CG 3.44Å; I1264-K1268 PolarHBondContact O-N 2.93Å
1265Q91Very high86.1Confident13 Ų1320.1 Ų20.16%0.06110%0.097CC..Hα-helixtrans-57.3-48.3174.6-179.2-178.895.600112.4F1097 H1098 F1100 I1101 D1135 S1263 G1269F1097-Q1265 PolarHBondContact O-NE2 3.3Å; F1097-Q1265 VanDerWaalsContact O-NE2 3.11Å; H1098-Q1265 WeakPolarHBondContact O-CB 3.35Å; H1098-Q1265 PolarHBondContact O-N 3.02Å; F1100-Q1265 WeakPolarHBondContact O-CG 3.46Å; F1100-Q1265 PolarHBondContact O-NE2 3.12Å; I1101-Q1265 HydrophobicContact CG1-CB 4.44Å; I1101-Q1265 HydrophobicContact CG1-CG 4.05Å; D1135-Q1265 PolarHBondContact O-NE2 3.26Å; S1263-Q1265 VanDerWaalsContact C-N 3.26Å; S1263-Q1265 PolarHBondContact O-N 3.38Å; Q1265-G1269 PolarHBondContact O-N 3.2Å; Q1265-G1269 VanDerWaalsContact O-N 3.09Å
1266L87.9Confident87.1Confident23 Ų2315.1 Ų15.112%0.127%0.074CC..Hα-helixtrans-75.6-28.6-174.8-65.2175000113.2P1121 I1124 I1127 L1134 S1263 I1264 P1270P1121-L1266 HydrophobicContact CG-CD1 4.1Å; I1124-L1266 HydrophobicContact CD1-CD1 4.27Å; I1127-L1266 HydrophobicContact CD1-CD1 3.29Å; L1134-L1266 HydrophobicContact CD2-CD1 4.13Å; L1134-L1266 HydrophobicContact CD2-CD2 3.85Å; L1134-L1266 HydrophobicContact CD2-CG 4.07Å; S1263-L1266 PolarHBondContact O-N 2.98Å; S1263-L1266 VanDerWaalsContact O-N 3.12Å; I1264-L1266 PolarHBondContact O-N 3.29Å; L1266-P1270 WeakPolarHBondContact O-CD 3.32Å
1267E89.1Confident87.9Confident15 Ų1514.7 Ų14.77%0.077%0.073CC..Hα-helixtrans-87.3-31.7-179.2-69.4-78.3174.800112.4P1120 F1262 S1263 Y1312 R1315P1120-E1267 WeakPolarHBondContact CG-OE2 3.38Å; F1262-E1267 HydrophobicContact CD2-CG 4.07Å; F1262-E1267 HydrophobicContact CE1-CB 4.05Å; F1262-E1267 HydrophobicContact CE1-CG 4.14Å; F1262-E1267 HydrophobicContact CE2-CB 4.16Å; F1262-E1267 HydrophobicContact CE2-CG 3.59Å; F1262-E1267 HydrophobicContact CZ-CB 3.67Å; F1262-E1267 HydrophobicContact CZ-CG 3.64Å; S1263-E1267 PolarHBondContact O-N 3.36Å; S1263-E1267 VanDerWaalsContact O-N 3.08Å; E1267-Y1312 HydrophobicContact CB-CE2 4.15Å; E1267-R1315 VanDerWaalsContact CD-NH2 3.33Å; E1267-R1315 IonicContact OE1-CZ 2.69Å; E1267-R1315 IonicContact OE1-NH2 2.72Å; E1267-R1315 PolarHBondContact OE1-NH2 3.42Å; E1267-R1315 IonicContact OE2-CZ 3.51Å; E1267-R1315 VanDerWaalsContact OE2-CZ 3.28Å; E1267-R1315 IonicContact OE2-NE 2.7Å; E1267-R1315 PolarHBondContact OE2-NE 3.37Å; E1267-R1315 IonicContact OE2-NH2 3.71Å; E1267-R1315 PolarHBondContact OE2-NH2 2.98Å
1268K90.9Very high88.3Confident2 Ų215.8 Ų15.81%0.0098%0.082CC..Hα-helixtrans-73.9-34.8169.4-74.3-179178179.20112.8I1101 E1148 H1187 I1264 S1271 R1272 F1308 Y1312I1101-K1268 HydrophobicContact CD1-CB 3.41Å; I1101-K1268 VanDerWaalsContact CD1-CB 3.41Å; I1101-K1268 HydrophobicContact CD1-CD 4.11Å; I1101-K1268 HydrophobicContact CD1-CG 4.44Å; E1148-K1268 IonicContact OE1-NZ 2.81Å; E1148-K1268 PolarHBondContact OE1-NZ 3.24Å; E1148-K1268 VanDerWaalsContact OE2-CD 3.29Å; E1148-K1268 WeakPolarHBondContact OE2-CD 3.39Å; E1148-K1268 WeakPolarHBondContact OE2-CE 3.46Å; E1148-K1268 IonicContact OE2-NZ 3.72Å; E1148-K1268 PolarHBondContact OE2-NZ 3.47Å; H1187-K1268 PolarHBondContact ND1-NZ 2.73Å; I1264-K1268 HydrophobicContact CG2-CD 3.79Å; I1264-K1268 VanDerWaalsContact CG2-CE 3.5Å; I1264-K1268 HydrophobicContact CG2-CG 4.17Å; I1264-K1268 VanDerWaalsContact O-CB 3.3Å; I1264-K1268 WeakPolarHBondContact O-CB 3.38Å; I1264-K1268 WeakPolarHBondContact O-CG 3.44Å; I1264-K1268 PolarHBondContact O-N 2.93Å; K1268-S1271 PolarHBondContact O-N 3.31Å; K1268-R1272 PolarHBondContact O-N 2.98Å; K1268-F1308 HydrophobicContact CB-CE2 4.45Å; K1268-F1308 HydrophobicContact CB-CZ 4.28Å; K1268-F1308 HydrophobicContact CD-CZ 4.42Å; K1268-F1308 HydrophobicContact CG-CZ 4.16Å; K1268-Y1312 HydrophobicContact CB-CD2 4.38Å; K1268-Y1312 HydrophobicContact CB-CE2 4.33Å; K1268-Y1312 HydrophobicContact CG-CD1 4.28Å; K1268-Y1312 HydrophobicContact CG-CD2 3.78Å; K1268-Y1312 HydrophobicContact CG-CE1 4.04Å; K1268-Y1312 HydrophobicContact CG-CE2 3.47Å; K1268-Y1312 VanDerWaalsContact CG-CE2 3.47Å; K1268-Y1312 HydrophobicContact CG-CG 4.18Å
1269G88.4Confident88.7Confident12 Ų1215.6 Ų15.612%0.1248%0.079CC..Hα-helixtrans-52.5-56.7-169.100000114.8Q1265 S1271 R1272 D1273Q1265-G1269 PolarHBondContact O-N 3.2Å; Q1265-G1269 VanDerWaalsContact O-N 3.09Å; G1269-S1271 VanDerWaalsContact C-N 3.33Å; G1269-S1271 PolarHBondContact O-N 2.71Å; G1269-R1272 PolarHBondContact O-N 2.82Å; G1269-D1273 PolarHBondContact O-N 3.04Å
1270P87.3Confident89Confident17 Ų1715 Ų1511%0.118%0.077CC..Hα-helixtrans-61.4-36.7178.6-26.236.2000113.5L1118 P1120 L1266 D1273 R1274L1118-P1270 WeakPolarHBondContact O-CB 3.49Å; P1120-P1270 HydrophobicContact CG-CG 4.29Å; L1266-P1270 WeakPolarHBondContact O-CD 3.32Å; P1270-D1273 PolarHBondContact O-N 2.77Å; P1270-R1274 WeakPolarHBondContact O-CB 3.29Å; P1270-R1274 WeakPolarHBondContact O-CG 3.35Å; P1270-R1274 PolarHBondContact O-N 3Å
1271S89.5Confident88.9Confident1 Ų119.6 Ų19.61%0.00710%0.097CC..Hα-helixtrans-67.7-40.5177.4-58.50000112K1268 G1269 R1274 V1275K1268-S1271 PolarHBondContact O-N 3.31Å; G1269-S1271 VanDerWaalsContact C-N 3.33Å; G1269-S1271 PolarHBondContact O-N 2.71Å; S1271-R1274 PolarHBondContact OG-NH2 3.3Å; S1271-V1275 WeakPolarHBondContact O-CB 3.1Å; S1271-V1275 VanDerWaalsContact O-CG2 3.3Å; S1271-V1275 WeakPolarHBondContact O-CG2 3.25Å; S1271-V1275 PolarHBondContact O-N 3.33Å
1272R89.9Confident88.6Confident32 Ų3223 Ų2312%0.12111%0.112CC..Hα-helixtrans-61.2-50170.9-179.5-162.868.9-172.8-9110.5R1102 L1149 K1268 G1269 R1274 V1275 C1276 F1308R1102-R1272 PolarHBondContact O-NH1 3.39Å; L1149-R1272 HydrophobicContact CD2-CB 4.1Å; L1149-R1272 HydrophobicContact CD2-CG 3.66Å; K1268-R1272 PolarHBondContact O-N 2.98Å; G1269-R1272 PolarHBondContact O-N 2.82Å; R1272-R1274 PolarHBondContact O-N 2.76Å; R1272-V1275 PolarHBondContact O-N 2.97Å; R1272-V1275 VanDerWaalsContact O-N 3.16Å; R1272-C1276 PolarHBondContact O-N 2.86Å; R1272-C1276 PolarHBondContact O-SG 3.49Å; R1272-C1276 VanDerWaalsContact O-SG 3.38Å; R1272-F1308 HydrophobicContact CB-CD2 4.28Å; R1272-F1308 HydrophobicContact CB-CE2 4Å
1273D88.4Confident88.2Confident21 Ų2124 Ų2411%0.11212%0.119CC..Hα-helixtrans-64.6-38.8-174.6-70.3-10.9000111.8K1112 V1115 G1269 P1270 V1275 C1276 N1277K1112-D1273 HydrophobicContact CD-CB 4.21Å; K1112-D1273 WeakPolarHBondContact CD-OD2 3.41Å; K1112-D1273 IonicContact NZ-OD1 3.54Å; K1112-D1273 PolarHBondContact NZ-OD1 2.91Å; K1112-D1273 IonicContact NZ-OD2 2.67Å; K1112-D1273 PolarHBondContact NZ-OD2 3.36Å; V1115-D1273 HydrophobicContact CG1-CB 3.8Å; V1115-D1273 HydrophobicContact CG2-CB 4.24Å; G1269-D1273 PolarHBondContact O-N 3.04Å; P1270-D1273 PolarHBondContact O-N 2.77Å; D1273-V1275 VanDerWaalsContact C-N 3.34Å; D1273-V1275 PolarHBondContact O-N 2.7Å; D1273-C1276 PolarHBondContact O-N 2.82Å; D1273-N1277 WeakPolarHBondContact O-CB 3.34Å; D1273-N1277 PolarHBondContact O-N 2.81Å
1274R89Confident87.8Confident79 Ų7931.1 Ų31.130%0.29815%0.152SC..Hα-helixtrans-56.5-48.4171-81.6-174-70.5166.3-2.9111.1V1115 E1116 P1270 S1271 R1272 N1277 A1278 D1311V1115-R1274 HydrophobicContact CG1-CB 4.28Å; V1115-R1274 HydrophobicContact CG1-CG 3.72Å; V1115-R1274 VanDerWaalsContact CG1-N 3.34Å; E1116-R1274 HydrophobicContact CG-CG 4.46Å; P1270-R1274 WeakPolarHBondContact O-CB 3.29Å; P1270-R1274 WeakPolarHBondContact O-CG 3.35Å; P1270-R1274 PolarHBondContact O-N 3Å; S1271-R1274 PolarHBondContact OG-NH2 3.3Å; R1272-R1274 PolarHBondContact O-N 2.76Å; R1274-N1277 WeakPolarHBondContact O-CB 3.49Å; R1274-N1277 PolarHBondContact O-N 3.23Å; R1274-A1278 WeakPolarHBondContact O-CB 3.39Å; R1274-A1278 PolarHBondContact O-N 3.45Å; R1274-D1311 IonicContact CZ-OD2 2.91Å; R1274-D1311 IonicContact NE-OD2 3.47Å; R1274-D1311 IonicContact NH1-OD2 3.64Å; R1274-D1311 PolarHBondContact NH1-OD2 2.74Å; R1274-D1311 IonicContact NH2-OD2 2.64Å; R1274-D1311 PolarHBondContact NH2-OD2 3.14Å
1275V90.5Very high86.6Confident3 Ų334.6 Ų34.62%0.01819%0.187CC..Hα-helixtrans-68.9-38.9-177.6165.90000112.4F1106 S1271 R1272 D1273 A1278 F1279 F1304 Q1307 F1308F1106-V1275 HydrophobicContact CE1-CG1 3.92Å; F1106-V1275 HydrophobicContact CZ-CG1 4.02Å; S1271-V1275 WeakPolarHBondContact O-CB 3.1Å; S1271-V1275 VanDerWaalsContact O-CG2 3.3Å; S1271-V1275 WeakPolarHBondContact O-CG2 3.25Å; S1271-V1275 PolarHBondContact O-N 3.33Å; R1272-V1275 PolarHBondContact O-N 2.97Å; R1272-V1275 VanDerWaalsContact O-N 3.16Å; D1273-V1275 VanDerWaalsContact C-N 3.34Å; D1273-V1275 PolarHBondContact O-N 2.7Å; V1275-A1278 PolarHBondContact O-N 2.77Å; V1275-F1279 PolarHBondContact O-N 3.2Å; V1275-F1304 HydrophobicContact CG1-CB 3.72Å; V1275-F1304 HydrophobicContact CG1-CD1 4.48Å; V1275-F1304 HydrophobicContact CG1-CG 4.36Å; V1275-F1304 VanDerWaalsContact CG1-O 3.32Å; V1275-F1304 WeakPolarHBondContact CG1-O 3.13Å; V1275-Q1307 HydrophobicContact CG2-CB 4.47Å; V1275-Q1307 HydrophobicContact CG2-CG 4.42Å; V1275-F1308 HydrophobicContact CG2-CB 4.06Å
1276C88.4Confident85Confident7 Ų735.5 Ų35.55%0.04720%0.2CC..Hα-helixtrans-61.2-46170.3-700000111.7A1109 R1272 D1273 A1278 F1279 I1280A1109-C1276 HydrophobicContact CB-CB 3.89Å; R1272-C1276 PolarHBondContact O-N 2.86Å; R1272-C1276 PolarHBondContact O-SG 3.49Å; R1272-C1276 VanDerWaalsContact O-SG 3.38Å; D1273-C1276 PolarHBondContact O-N 2.82Å; C1276-A1278 VanDerWaalsContact C-N 3.33Å; C1276-A1278 PolarHBondContact O-N 3.19Å; C1276-F1279 PolarHBondContact O-N 3.24Å; C1276-I1280 VanDerWaalsContact O-CG1 3.3Å; C1276-I1280 WeakPolarHBondContact O-CG1 3.22Å; C1276-I1280 PolarHBondContact O-N 3.01Å
1277N90.4Very high83.5Confident2 Ų236.8 Ų36.81%0.01122%0.219CC..Hα-helixtrans-61.1-40175.6-86.1-3.1000112.3Y1111 K1112 V1115 D1273 R1274 I1280 K1281Y1111-N1277 HydrophobicContact CD2-CB 4.21Å; Y1111-N1277 WeakPolarHBondContact CD2-OD1 3.34Å; Y1111-N1277 HydrophobicContact CE2-CB 3.94Å; K1112-N1277 PolarHBondContact N-OD1 3.3Å; K1112-N1277 PolarHBondContact O-ND2 2.89Å; V1115-N1277 WeakPolarHBondContact CB-ND2 3.25Å; D1273-N1277 WeakPolarHBondContact O-CB 3.34Å; D1273-N1277 PolarHBondContact O-N 2.81Å; R1274-N1277 WeakPolarHBondContact O-CB 3.49Å; R1274-N1277 PolarHBondContact O-N 3.23Å; N1277-I1280 PolarHBondContact O-N 3.17Å; N1277-K1281 WeakPolarHBondContact O-CB 3.25Å; N1277-K1281 WeakPolarHBondContact O-CG 3.43Å; N1277-K1281 PolarHBondContact O-N 2.92Å
1278A87.7Confident81.8Confident26 Ų2640.7 Ų40.722%0.21524%0.244CC..Hα-helixtrans-66.1-39.5177.500000112.2R1274 V1275 C1276 K1281 K1282 F1304R1274-A1278 WeakPolarHBondContact O-CB 3.39Å; R1274-A1278 PolarHBondContact O-N 3.45Å; V1275-A1278 PolarHBondContact O-N 2.77Å; C1276-A1278 VanDerWaalsContact C-N 3.33Å; C1276-A1278 PolarHBondContact O-N 3.19Å; A1278-K1281 PolarHBondContact O-N 3.35Å; A1278-K1282 WeakPolarHBondContact O-CB 3.49Å; A1278-K1282 PolarHBondContact O-N 2.68Å; A1278-F1304 HydrophobicContact CB-CD1 4.14Å; A1278-F1304 HydrophobicContact CB-CE1 3.48Å; A1278-F1304 VanDerWaalsContact CB-CE1 3.48Å; A1278-F1304 HydrophobicContact CB-CZ 4.05Å; A1278-F1304 WeakPolarHBondContact O-CZ 3.36Å
1279F86.5Confident80Confident15 Ų1546.1 Ų46.17%0.06628%0.278CS..Hα-helixtrans-61.9-44.2171.5179.6-94.7000112F1106 V1275 C1276 K1282 T1283 K1301 F1304F1106-F1279 HydrophobicContact CB-CD1 4Å; F1106-F1279 HydrophobicContact CB-CE1 3.85Å; F1106-F1279 HydrophobicContact CB-CG 4.41Å; F1106-F1279 HydrophobicContact CB-CZ 4.14Å; F1106-F1279 HydrophobicContact CD1-CB 3.68Å; F1106-F1279 AromaticContact CD1-CD1 3.89Å; F1106-F1279 HydrophobicContact CD1-CD1 3.89Å; F1106-F1279 AromaticContact CD1-CD2 3.9Å; F1106-F1279 HydrophobicContact CD1-CD2 3.9Å; F1106-F1279 HydrophobicContact CD1-CE1 4.5Å; F1106-F1279 AromaticContact CD1-CG 3.56Å; F1106-F1279 HydrophobicContact CD1-CG 3.56Å; F1106-F1279 HydrophobicContact CE1-CB 4Å; F1106-F1279 HydrophobicContact CE1-CD2 4.45Å; F1106-F1279 HydrophobicContact CE1-CG 4.26Å; F1106-F1279 HydrophobicContact CG-CD1 4.43Å; F1106-F1279 HydrophobicContact CG-CG 4.38Å; V1275-F1279 PolarHBondContact O-N 3.2Å; C1276-F1279 PolarHBondContact O-N 3.24Å; F1279-K1282 PolarHBondContact O-N 3.47Å; F1279-T1283 HydrophobicContact CD1-CG2 4.32Å; F1279-T1283 HydrophobicContact CD2-CG2 4.38Å; F1279-T1283 HydrophobicContact CE1-CG2 3.99Å; F1279-T1283 HydrophobicContact CE2-CG2 4.06Å; F1279-T1283 HydrophobicContact CZ-CG2 3.86Å; F1279-T1283 WeakPolarHBondContact O-CB 3.27Å; F1279-T1283 WeakPolarHBondContact O-CG2 3.28Å; F1279-T1283 PolarHBondContact O-N 2.78Å; F1279-T1283 PolarHBondContact O-OG1 2.99Å; F1279-K1301 HydrophobicContact CE2-CG 4.21Å; F1279-F1304 VanDerWaalsContact CA-CE2 3.48Å; F1279-F1304 HydrophobicContact CB-CD2 3.93Å; F1279-F1304 HydrophobicContact CB-CE2 3.84Å; F1279-F1304 HydrophobicContact CB-CZ 4.47Å; F1279-F1304 AromaticContact CD2-CD2 3.83Å; F1279-F1304 HydrophobicContact CD2-CD2 3.83Å; F1279-F1304 AromaticContact CD2-CE2 3.9Å; F1279-F1304 HydrophobicContact CD2-CE2 3.9Å; F1279-F1304 HydrophobicContact CG-CD2 4.39Å; F1279-F1304 HydrophobicContact CG-CE2 4.35Å
1280I86.4Confident78.3Confident15 Ų1547.3 Ų47.38%0.07729%0.286CS..Hα-helixtrans-62.4-46.7176.1-66164.7000110.7A1109 Y1111 C1276 N1277 K1282 T1283 Q1284A1109-I1280 HydrophobicContact CB-CD1 4.29Å; Y1111-I1280 HydrophobicContact CD2-CB 4.44Å; Y1111-I1280 HydrophobicContact CD2-CG2 4.13Å; C1276-I1280 VanDerWaalsContact O-CG1 3.3Å; C1276-I1280 WeakPolarHBondContact O-CG1 3.22Å; C1276-I1280 PolarHBondContact O-N 3.01Å; N1277-I1280 PolarHBondContact O-N 3.17Å; I1280-K1282 PolarHBondContact O-N 3.11Å; I1280-T1283 PolarHBondContact O-N 2.77Å; I1280-T1283 PolarHBondContact O-OG1 3.28Å; I1280-Q1284 HydrophobicContact CG2-CG 4.24Å; I1280-Q1284 WeakPolarHBondContact O-CB 3.48Å; I1280-Q1284 VanDerWaalsContact O-CG 3.32Å; I1280-Q1284 WeakPolarHBondContact O-CG 3.49Å; I1280-Q1284 PolarHBondContact O-N 2.96Å
1281K85.1Confident76.7Confident96 Ų9649 Ų4942%0.41730%0.299SS..Hα-helixtrans-56.2-47.6174.4-75.1174.8174.6-177.60111.8Y1111 E1116 N1277 A1278 G1285Y1111-K1281 HydrophobicContact CE2-CG 4.42Å; E1116-K1281 IonicContact OE1-NZ 2.77Å; E1116-K1281 PolarHBondContact OE1-NZ 3.33Å; E1116-K1281 IonicContact OE2-NZ 2.78Å; N1277-K1281 WeakPolarHBondContact O-CB 3.25Å; N1277-K1281 WeakPolarHBondContact O-CG 3.43Å; N1277-K1281 PolarHBondContact O-N 2.92Å; A1278-K1281 PolarHBondContact O-N 3.35Å; K1281-G1285 PolarHBondContact O-N 2.74Å
1282K82.4Confident75.5Confident84 Ų8456.7 Ų56.737%0.36533%0.332SS..Hα-helixtrans-68.4-34.8-178.1-164.7172.4178.5-178.60112.4A1278 F1279 I1280 G1286 M1300 E1303 F1304A1278-K1282 WeakPolarHBondContact O-CB 3.49Å; A1278-K1282 PolarHBondContact O-N 2.68Å; F1279-K1282 PolarHBondContact O-N 3.47Å; I1280-K1282 PolarHBondContact O-N 3.11Å; K1282-G1286 PolarHBondContact O-N 3.4Å; K1282-M1300 HydrophobicContact CD-CG 4.4Å; K1282-M1300 HydrophobicContact CD-SD 3.78Å; K1282-M1300 VanDerWaalsContact CE-SD 3.54Å; K1282-M1300 HydrophobicContact CG-SD 4.01Å; K1282-E1303 IonicContact NZ-OE2 2.99Å; K1282-E1303 PolarHBondContact NZ-OE2 2.92Å; K1282-F1304 HydrophobicContact CB-CE2 4.3Å; K1282-F1304 HydrophobicContact CB-CZ 4.01Å; K1282-F1304 HydrophobicContact CD-CE2 3.68Å; K1282-F1304 HydrophobicContact CD-CZ 3.47Å; K1282-F1304 VanDerWaalsContact CD-CZ 3.47Å; K1282-F1304 HydrophobicContact CG-CZ 4.41Å
1283T81Confident74.6Confident37 Ų3757.3 Ų57.323%0.22734%0.341CS..Hα-helixtrans-84.5-20.5178.652.50000114.8F1279 I1280F1279-T1283 HydrophobicContact CD1-CG2 4.32Å; F1279-T1283 HydrophobicContact CD2-CG2 4.38Å; F1279-T1283 HydrophobicContact CE1-CG2 3.99Å; F1279-T1283 HydrophobicContact CE2-CG2 4.06Å; F1279-T1283 HydrophobicContact CZ-CG2 3.86Å; F1279-T1283 WeakPolarHBondContact O-CB 3.27Å; F1279-T1283 WeakPolarHBondContact O-CG2 3.28Å; F1279-T1283 PolarHBondContact O-N 2.78Å; F1279-T1283 PolarHBondContact O-OG1 2.99Å; I1280-T1283 PolarHBondContact O-N 2.77Å; I1280-T1283 PolarHBondContact O-OG1 3.28Å
1284Q80.8Confident74.2Confident154 Ų15461.7 Ų61.772%0.7237%0.369SS*.Hα-helixtrans-87.1-38.7171.1-70.8179.3-6.100112.7I1280I1280-Q1284 HydrophobicContact CG2-CG 4.24Å; I1280-Q1284 WeakPolarHBondContact O-CB 3.48Å; I1280-Q1284 VanDerWaalsContact O-CG 3.32Å; I1280-Q1284 WeakPolarHBondContact O-CG 3.49Å; I1280-Q1284 PolarHBondContact O-N 2.96Å
1285G67.2Low73.8Confident72 Ų7258.8 Ų58.874%0.74236%0.362SS*.Hα-helixtrans-82-31.5-179.900000114.1K1281K1281-G1285 PolarHBondContact O-N 2.74Å
1286G58.8Low73.5Confident32 Ų3263.5 Ų63.533%0.3338%0.383SS..SBendtrans-77133169.300000110.8K1282K1282-G1286 PolarHBondContact O-N 3.4Å
1287G55.3Low73.2Confident50 Ų5063.8 Ų63.852%0.51539%0.385SS..  trans-55.5143.4179.700000112.9T1289 A1290G1287-T1289 PolarHBondContact O-N 3.42Å; G1287-T1289 PolarHBondContact O-OG1 3.28Å; G1287-A1290 PolarHBondContact O-N 2.91Å
1288V53.6Low73.1Confident97 Ų9765 Ų6559%0.58839%0.391SS*.THydrogen-bonded Turntrans-57.82.2-172.9-179.10000114.9K1292V1288-K1292 VanDerWaalsContact O-CD 3.29Å; V1288-K1292 WeakPolarHBondContact O-CD 3.26Å; V1288-K1292 WeakPolarHBondContact O-CE 3.33Å; V1288-K1292 WeakPolarHBondContact O-CG 3.43Å
1289T54.4Low73.1Confident117 Ų11769 Ų6972%0.71840%0.404SS*.THydrogen-bonded Turntrans-74.2-43.2166.142.80000112.6G1287 S1291 K1292G1287-T1289 PolarHBondContact O-N 3.42Å; G1287-T1289 PolarHBondContact O-OG1 3.28Å; T1289-S1291 PolarHBondContact O-N 2.77Å; T1289-K1292 PolarHBondContact O-N 3.33Å
1290A51.9Low73.1Confident36 Ų3669.4 Ų69.430%0.29841%0.406SS..G310 helixtrans-68.9-32.1-17500000113.1G1287 K1292G1287-A1290 PolarHBondContact O-N 2.91Å; A1290-K1292 PolarHBondContact O-N 2.97Å
1291S54Low73.3Confident54 Ų5468.7 Ų68.738%0.37840%0.402SS..G310 helixtrans-77.6-4.7176.966.20000114.1T1289T1289-S1291 PolarHBondContact O-N 2.77Å
1292K63.4Low73.7Confident161 Ų16164.9 Ų64.970%0.739%0.385SS*.G310 helixtrans-91.5-20.1179.9-76.6173.8178.4172.70113.8V1288 T1289 A1290 T1294V1288-K1292 VanDerWaalsContact O-CD 3.29Å; V1288-K1292 WeakPolarHBondContact O-CD 3.26Å; V1288-K1292 WeakPolarHBondContact O-CE 3.33Å; V1288-K1292 WeakPolarHBondContact O-CG 3.43Å; T1289-K1292 PolarHBondContact O-N 3.33Å; A1290-K1292 PolarHBondContact O-N 2.97Å; K1292-T1294 PolarHBondContact O-N 3.07Å
1293S72.2Confident74.1Confident45 Ų4564.5 Ų64.532%0.31539%0.385SS..  trans-82.9112.1171.9-179.50000109A1295 E1296 S1297S1293-A1295 PolarHBondContact O-N 3.49Å; S1293-E1296 PolarHBondContact O-N 3.41Å; S1293-S1297 PolarHBondContact O-N 3.11Å
1294T79.8Confident74.7Confident114 Ų11463.4 Ų63.470%0.69938%0.377SS*.Hα-helixtrans-55.1-36176.348.70000111.6K1292 E1298K1292-T1294 PolarHBondContact O-N 3.07Å; T1294-E1298 WeakPolarHBondContact O-CB 3.44Å; T1294-E1298 PolarHBondContact O-N 2.93Å
1295A80.9Confident75.3Confident18 Ų1856.1 Ų56.115%0.14934%0.343CS..Hα-helixtrans-67.6-34.9176.700000114R1172 S1293 K1299R1172-A1295 VanDerWaalsContact CZ-CB 3.47Å; S1293-A1295 PolarHBondContact O-N 3.49Å; A1295-K1299 WeakPolarHBondContact O-CB 3.35Å; A1295-K1299 PolarHBondContact O-N 3.17Å
1296E82.6Confident76.6Confident101 Ų10154.8 Ų54.847%0.47232%0.32SS..Hα-helixtrans-77.2-38.7176.7-65.3-178.3156.400110.8S1293 K1299 M1300S1293-E1296 PolarHBondContact O-N 3.41Å; E1296-K1299 PolarHBondContact O-N 3.49Å; E1296-M1300 WeakPolarHBondContact O-CB 3.39Å; E1296-M1300 WeakPolarHBondContact O-CE 3.43Å; E1296-M1300 VanDerWaalsContact O-CG 3.32Å; E1296-M1300 WeakPolarHBondContact O-CG 3.36Å; E1296-M1300 PolarHBondContact O-N 3.42Å
1297S83.2Confident78.2Confident13 Ų1357.4 Ų57.49%0.09132%0.324CS..Hα-helixtrans-57.2-51.1169.7-178.80000111.5S1293 K1299 M1300 K1301S1293-S1297 PolarHBondContact O-N 3.11Å; S1297-K1299 PolarHBondContact O-N 2.63Å; S1297-M1300 PolarHBondContact O-N 3.36Å; S1297-K1301 WeakPolarHBondContact O-CG 3.48Å; S1297-K1301 PolarHBondContact O-N 3.21Å
1298E87.2Confident80.1Confident28 Ų2855.2 Ų55.213%0.13130%0.3CS..Hα-helixtrans-63.1-42179.6-170.6-155.2-130.700112.1Q1153 V1154 R1172 N1176 T1294 K1301 R1302Q1153-E1298 HydrophobicContact CB-CG 4.48Å; V1154-E1298 HydrophobicContact CG2-CG 4.17Å; R1172-E1298 WeakPolarHBondContact CB-OE2 3.34Å; R1172-E1298 WeakPolarHBondContact CD-OE2 3.48Å; N1176-E1298 PolarHBondContact ND2-OE1 3.07Å; T1294-E1298 WeakPolarHBondContact O-CB 3.44Å; T1294-E1298 PolarHBondContact O-N 2.93Å; E1298-K1301 WeakPolarHBondContact O-CB 3.4Å; E1298-K1301 PolarHBondContact O-N 2.86Å; E1298-R1302 VanDerWaalsContact CG-NH1 3.31Å; E1298-R1302 PolarHBondContact O-N 3.21Å; E1298-R1302 IonicContact OE1-NH1 2.78Å; E1298-R1302 IonicContact OE2-CZ 2.58Å; E1298-R1302 IonicContact OE2-NH1 2.77Å; E1298-R1302 PolarHBondContact OE2-NH1 3.38Å; E1298-R1302 IonicContact OE2-NH2 2.82Å
1299K89.1Confident82.1Confident111 Ų11150.6 Ų50.648%0.48327%0.272SS..Hα-helixtrans-61.1-45.3172.9-171.4-170.6-178.6-109.60111.5A1295 E1296 S1297 K1301 R1302 E1303A1295-K1299 WeakPolarHBondContact O-CB 3.35Å; A1295-K1299 PolarHBondContact O-N 3.17Å; E1296-K1299 PolarHBondContact O-N 3.49Å; S1297-K1299 PolarHBondContact O-N 2.63Å; K1299-K1301 VanDerWaalsContact C-N 3.32Å; K1299-K1301 PolarHBondContact O-N 3.05Å; K1299-R1302 PolarHBondContact O-N 3.43Å; K1299-E1303 WeakPolarHBondContact CE-OE1 3.2Å; K1299-E1303 IonicContact NZ-OE1 2.7Å; K1299-E1303 PolarHBondContact NZ-OE1 2.95Å; K1299-E1303 WeakPolarHBondContact O-CG 3.47Å; K1299-E1303 PolarHBondContact O-N 3.01Å
1300M85.8Confident84Confident23 Ų2349 Ų4911%0.11326%0.257CS..Hα-helixtrans-61.8-39.8175.6-74.4-171.9-73.400111.4K1282 E1296 S1297 E1303 F1304K1282-M1300 HydrophobicContact CD-CG 4.4Å; K1282-M1300 HydrophobicContact CD-SD 3.78Å; K1282-M1300 VanDerWaalsContact CE-SD 3.54Å; K1282-M1300 HydrophobicContact CG-SD 4.01Å; E1296-M1300 WeakPolarHBondContact O-CB 3.39Å; E1296-M1300 WeakPolarHBondContact O-CE 3.43Å; E1296-M1300 VanDerWaalsContact O-CG 3.32Å; E1296-M1300 WeakPolarHBondContact O-CG 3.36Å; E1296-M1300 PolarHBondContact O-N 3.42Å; S1297-M1300 PolarHBondContact O-N 3.36Å; M1300-E1303 PolarHBondContact O-N 3.21Å; M1300-F1304 HydrophobicContact CB-CD2 4.4Å; M1300-F1304 HydrophobicContact CB-CE2 4.41Å; M1300-F1304 VanDerWaalsContact O-CB 3.32Å; M1300-F1304 WeakPolarHBondContact O-CB 3.36Å; M1300-F1304 WeakPolarHBondContact O-CD2 3.48Å; M1300-F1304 WeakPolarHBondContact O-CG 3.25Å; M1300-F1304 PolarHBondContact O-N 3.26Å
1301K91.1Very high85.8Confident0 Ų048.4 Ų48.40%025%0.248CC..Hα-helixtrans-58.8-46.5171.5-72.8-176.3-179.1-1720111.5F1106 E1107 D1150 Q1153 V1154 F1279 S1297 E1298 K1299 F1304 I1305F1106-K1301 HydrophobicContact CD2-CD 3.98Å; F1106-K1301 HydrophobicContact CD2-CG 3.95Å; F1106-K1301 HydrophobicContact CE2-CG 4.23Å; F1106-K1301 HydrophobicContact CG-CD 4.45Å; F1106-K1301 HydrophobicContact CG-CG 4.22Å; E1107-K1301 WeakPolarHBondContact OE1-CE 3.4Å; E1107-K1301 IonicContact OE1-NZ 3.97Å; E1107-K1301 PolarHBondContact OE1-NZ 3.01Å; E1107-K1301 WeakPolarHBondContact OE2-CE 3.33Å; E1107-K1301 IonicContact OE2-NZ 3.45Å; E1107-K1301 PolarHBondContact OE2-NZ 2.76Å; D1150-K1301 IonicContact OD1-NZ 3.13Å; D1150-K1301 PolarHBondContact OD1-NZ 3.17Å; Q1153-K1301 VanDerWaalsContact CD-NZ 3.25Å; Q1153-K1301 VanDerWaalsContact OE1-CE 3.22Å; V1154-K1301 HydrophobicContact CG2-CB 3.86Å; V1154-K1301 HydrophobicContact CG2-CD 4.45Å; F1279-K1301 HydrophobicContact CE2-CG 4.21Å; S1297-K1301 WeakPolarHBondContact O-CG 3.48Å; S1297-K1301 PolarHBondContact O-N 3.21Å; E1298-K1301 WeakPolarHBondContact O-CB 3.4Å; E1298-K1301 PolarHBondContact O-N 2.86Å; K1299-K1301 VanDerWaalsContact C-N 3.32Å; K1299-K1301 PolarHBondContact O-N 3.05Å; K1301-F1304 PolarHBondContact O-N 2.99Å; K1301-I1305 HydrophobicContact CB-CD1 4.19Å; K1301-I1305 WeakPolarHBondContact O-CB 3.25Å; K1301-I1305 WeakPolarHBondContact O-CD1 3.47Å; K1301-I1305 WeakPolarHBondContact O-CG1 3.33Å; K1301-I1305 PolarHBondContact O-N 2.89Å
1302R92.1Very high87.7Confident15 Ų1545.8 Ų45.86%0.05723%0.23CC..Hα-helixtrans-59.7-46.2175.6-73.2-163.1-68.2-76.40.6112.6V1154 E1175 N1176 T1179 E1298 K1299 F1304 I1305 T1306V1154-R1302 HydrophobicContact CG1-CG 4.38Å; V1154-R1302 HydrophobicContact CG2-CG 4.17Å; E1175-R1302 IonicContact OE2-CZ 3.27Å; E1175-R1302 IonicContact OE2-NE 3.27Å; E1175-R1302 PolarHBondContact OE2-NE 3.15Å; E1175-R1302 IonicContact OE2-NH2 2.65Å; E1175-R1302 PolarHBondContact OE2-NH2 3.23Å; N1176-R1302 WeakPolarHBondContact OD1-CD 3.39Å; N1176-R1302 PolarHBondContact OD1-NH1 3.21Å; T1179-R1302 HydrophobicContact CG2-CG 4.48Å; T1179-R1302 WeakPolarHBondContact OG1-CD 3.46Å; E1298-R1302 VanDerWaalsContact CG-NH1 3.31Å; E1298-R1302 PolarHBondContact O-N 3.21Å; E1298-R1302 IonicContact OE1-NH1 2.78Å; E1298-R1302 IonicContact OE2-CZ 2.58Å; E1298-R1302 IonicContact OE2-NH1 2.77Å; E1298-R1302 PolarHBondContact OE2-NH1 3.38Å; E1298-R1302 IonicContact OE2-NH2 2.82Å; K1299-R1302 PolarHBondContact O-N 3.43Å; R1302-F1304 VanDerWaalsContact C-N 3.3Å; R1302-F1304 PolarHBondContact O-N 3.49Å; R1302-I1305 PolarHBondContact O-N 3.19Å; R1302-T1306 VanDerWaalsContact O-CB 3.3Å; R1302-T1306 WeakPolarHBondContact O-CB 3.48Å; R1302-T1306 PolarHBondContact O-N 3.07Å; R1302-T1306 PolarHBondContact O-OG1 2.75Å
1303E92.2Very high89.2Confident76 Ų7638.5 Ų38.536%0.35520%0.199SC..Hα-helixtrans-54.1-48.1173.7-70.3168.9-174.300110.9K1282 K1299 M1300 T1306 Q1307K1282-E1303 IonicContact NZ-OE2 2.99Å; K1282-E1303 PolarHBondContact NZ-OE2 2.92Å; K1299-E1303 WeakPolarHBondContact CE-OE1 3.2Å; K1299-E1303 IonicContact NZ-OE1 2.7Å; K1299-E1303 PolarHBondContact NZ-OE1 2.95Å; K1299-E1303 WeakPolarHBondContact O-CG 3.47Å; K1299-E1303 PolarHBondContact O-N 3.01Å; M1300-E1303 PolarHBondContact O-N 3.21Å; E1303-T1306 WeakPolarHBondContact O-CB 3.34Å; E1303-T1306 PolarHBondContact O-N 3.45Å; E1303-Q1307 PolarHBondContact O-N 2.64Å
1304F92.9Very high90Very high15 Ų1540 Ų407%0.06620%0.201CC..Hα-helixtrans-71.9-37.5-177.8-81.7-46.2000114.4F1106 V1275 A1278 F1279 K1282 M1300 K1301 R1302 T1306 Q1307 F1308F1106-F1304 HydrophobicContact CE1-CB 4.27Å; F1106-F1304 HydrophobicContact CZ-CB 4.35Å; V1275-F1304 HydrophobicContact CG1-CB 3.72Å; V1275-F1304 HydrophobicContact CG1-CD1 4.48Å; V1275-F1304 HydrophobicContact CG1-CG 4.36Å; V1275-F1304 VanDerWaalsContact CG1-O 3.32Å; V1275-F1304 WeakPolarHBondContact CG1-O 3.13Å; A1278-F1304 HydrophobicContact CB-CD1 4.14Å; A1278-F1304 HydrophobicContact CB-CE1 3.48Å; A1278-F1304 VanDerWaalsContact CB-CE1 3.48Å; A1278-F1304 HydrophobicContact CB-CZ 4.05Å; A1278-F1304 WeakPolarHBondContact O-CZ 3.36Å; F1279-F1304 VanDerWaalsContact CA-CE2 3.48Å; F1279-F1304 HydrophobicContact CB-CD2 3.93Å; F1279-F1304 HydrophobicContact CB-CE2 3.84Å; F1279-F1304 HydrophobicContact CB-CZ 4.47Å; F1279-F1304 AromaticContact CD2-CD2 3.83Å; F1279-F1304 HydrophobicContact CD2-CD2 3.83Å; F1279-F1304 AromaticContact CD2-CE2 3.9Å; F1279-F1304 HydrophobicContact CD2-CE2 3.9Å; F1279-F1304 HydrophobicContact CG-CD2 4.39Å; F1279-F1304 HydrophobicContact CG-CE2 4.35Å; K1282-F1304 HydrophobicContact CB-CE2 4.3Å; K1282-F1304 HydrophobicContact CB-CZ 4.01Å; K1282-F1304 HydrophobicContact CD-CE2 3.68Å; K1282-F1304 HydrophobicContact CD-CZ 3.47Å; K1282-F1304 VanDerWaalsContact CD-CZ 3.47Å; K1282-F1304 HydrophobicContact CG-CZ 4.41Å; M1300-F1304 HydrophobicContact CB-CD2 4.4Å; M1300-F1304 HydrophobicContact CB-CE2 4.41Å; M1300-F1304 VanDerWaalsContact O-CB 3.32Å; M1300-F1304 WeakPolarHBondContact O-CB 3.36Å; M1300-F1304 WeakPolarHBondContact O-CD2 3.48Å; M1300-F1304 WeakPolarHBondContact O-CG 3.25Å; M1300-F1304 PolarHBondContact O-N 3.26Å; K1301-F1304 PolarHBondContact O-N 2.99Å; R1302-F1304 VanDerWaalsContact C-N 3.3Å; R1302-F1304 PolarHBondContact O-N 3.49Å; F1304-T1306 VanDerWaalsContact C-N 3.34Å; F1304-Q1307 WeakPolarHBondContact O-CB 3.47Å; F1304-Q1307 PolarHBondContact O-N 3.07Å; F1304-F1308 PolarHBondContact O-N 2.92Å
1305I94.4Very high90.5Very high0 Ų036 Ų360%017%0.173CC..Hα-helixtrans-70.3-34.8174.4-65.8160.2000110.2F1106 I1146 L1149 D1150 V1154 T1179 V1183 K1301 R1302 Q1307 F1308 C1309F1106-I1305 HydrophobicContact CE2-CD1 4.02Å; F1106-I1305 HydrophobicContact CE2-CG1 3.92Å; F1106-I1305 HydrophobicContact CZ-CD1 4.49Å; F1106-I1305 HydrophobicContact CZ-CG1 3.94Å; I1146-I1305 HydrophobicContact CD1-CD1 4.09Å; I1146-I1305 HydrophobicContact CD1-CG2 3.97Å; L1149-I1305 HydrophobicContact CD1-CG1 4.21Å; L1149-I1305 HydrophobicContact CD1-CG2 3.98Å; D1150-I1305 HydrophobicContact CB-CD1 4.48Å; V1154-I1305 HydrophobicContact CB-CD1 4.1Å; V1154-I1305 HydrophobicContact CG1-CD1 4.1Å; V1154-I1305 HydrophobicContact CG2-CD1 4.05Å; T1179-I1305 HydrophobicContact CG2-CB 3.93Å; T1179-I1305 HydrophobicContact CG2-CG2 3.49Å; T1179-I1305 VanDerWaalsContact CG2-CG2 3.49Å; V1183-I1305 HydrophobicContact CG2-CG2 3.26Å; K1301-I1305 HydrophobicContact CB-CD1 4.19Å; K1301-I1305 WeakPolarHBondContact O-CB 3.25Å; K1301-I1305 WeakPolarHBondContact O-CD1 3.47Å; K1301-I1305 WeakPolarHBondContact O-CG1 3.33Å; K1301-I1305 PolarHBondContact O-N 2.89Å; R1302-I1305 PolarHBondContact O-N 3.19Å; I1305-Q1307 VanDerWaalsContact C-N 3.34Å; I1305-F1308 WeakPolarHBondContact O-CB 3.42Å; I1305-F1308 PolarHBondContact O-N 2.85Å; I1305-C1309 PolarHBondContact O-N 3.35Å; I1305-C1309 PolarHBondContact O-SG 3.46Å
1306T93.6Very high91.1Very high44 Ų4435.2 Ų35.227%0.2717%0.167SC..Hα-helixtrans-62-43.3170.7-55.90000110.4R1302 E1303 F1304 C1309 H1310R1302-T1306 VanDerWaalsContact O-CB 3.3Å; R1302-T1306 WeakPolarHBondContact O-CB 3.48Å; R1302-T1306 PolarHBondContact O-N 3.07Å; R1302-T1306 PolarHBondContact O-OG1 2.75Å; E1303-T1306 WeakPolarHBondContact O-CB 3.34Å; E1303-T1306 PolarHBondContact O-N 3.45Å; F1304-T1306 VanDerWaalsContact C-N 3.34Å; T1306-C1309 WeakPolarHBondContact O-CB 3.3Å; T1306-C1309 PolarHBondContact O-N 2.89Å; T1306-H1310 PolarHBondContact O-N 3.07Å; T1306-H1310 PolarHBondContact O-ND1 2.99Å
1307Q93Very high91.7Very high88 Ų8831.2 Ų31.241%0.41115%0.148SC..Hα-helixtrans-60.4-47.9172.9-174178.10.100111.8V1275 E1303 F1304 I1305 C1309 H1310 D1311V1275-Q1307 HydrophobicContact CG2-CB 4.47Å; V1275-Q1307 HydrophobicContact CG2-CG 4.42Å; E1303-Q1307 PolarHBondContact O-N 2.64Å; F1304-Q1307 WeakPolarHBondContact O-CB 3.47Å; F1304-Q1307 PolarHBondContact O-N 3.07Å; I1305-Q1307 VanDerWaalsContact C-N 3.34Å; Q1307-C1309 PolarHBondContact O-N 2.83Å; Q1307-H1310 PolarHBondContact O-N 2.81Å; Q1307-D1311 WeakPolarHBondContact O-CB 3.19Å; Q1307-D1311 PolarHBondContact O-N 2.92Å
1308F94.9Very high92.1Very high3 Ų330.9 Ų30.91%0.01315%0.145CC..Hα-helixtrans-51.5-42.8173.8169.5-92.5000112.3L1149 K1268 R1272 V1275 F1304 I1305 H1310 Y1312L1149-F1308 HydrophobicContact CD1-CD1 3.59Å; L1149-F1308 HydrophobicContact CD1-CE1 3.87Å; L1149-F1308 HydrophobicContact CD1-CG 3.96Å; L1149-F1308 HydrophobicContact CD1-CZ 4.45Å; L1149-F1308 HydrophobicContact CD2-CD2 4.18Å; L1149-F1308 HydrophobicContact CD2-CE1 4.42Å; L1149-F1308 HydrophobicContact CD2-CE2 4.07Å; L1149-F1308 HydrophobicContact CD2-CG 4.41Å; L1149-F1308 HydrophobicContact CD2-CZ 4.19Å; K1268-F1308 HydrophobicContact CB-CE2 4.45Å; K1268-F1308 HydrophobicContact CB-CZ 4.28Å; K1268-F1308 HydrophobicContact CD-CZ 4.42Å; K1268-F1308 HydrophobicContact CG-CZ 4.16Å; R1272-F1308 HydrophobicContact CB-CD2 4.28Å; R1272-F1308 HydrophobicContact CB-CE2 4Å; V1275-F1308 HydrophobicContact CG2-CB 4.06Å; F1304-F1308 PolarHBondContact O-N 2.92Å; I1305-F1308 WeakPolarHBondContact O-CB 3.42Å; I1305-F1308 PolarHBondContact O-N 2.85Å; F1308-H1310 PolarHBondContact O-N 3.36Å; F1308-Y1312 VanDerWaalsContact O-CB 3.3Å; F1308-Y1312 WeakPolarHBondContact O-CB 3.33Å; F1308-Y1312 PolarHBondContact O-N 2.69Å
1309C95.4Very high92.3Very high0 Ų029.8 Ų29.80%014%0.141CC..Hα-helixtrans-62.4-39.4177.8-69.80000112.8Q1182 V1183 V1186 I1305 T1306 Q1307 C1313Q1182-C1309 HydrophobicContact CG-CB 4.05Å; V1183-C1309 WeakPolarHBondContact CG2-SG 3.42Å; V1186-C1309 HydrophobicContact CG1-CB 4.28Å; I1305-C1309 PolarHBondContact O-N 3.35Å; I1305-C1309 PolarHBondContact O-SG 3.46Å; T1306-C1309 WeakPolarHBondContact O-CB 3.3Å; T1306-C1309 PolarHBondContact O-N 2.89Å; Q1307-C1309 PolarHBondContact O-N 2.83Å; C1309-C1313 WeakPolarHBondContact O-CB 3.47Å; C1309-C1313 PolarHBondContact O-N 2.78Å
1310H93.6Very high92.5Very high85 Ų8524.5 Ų24.539%0.39412%0.118SC..Hα-helixtrans-72.9-50.3177.3-67.979.3000111.1T1306 Q1307 F1308 Y1312 C1313 E1314T1306-H1310 PolarHBondContact O-N 3.07Å; T1306-H1310 PolarHBondContact O-ND1 2.99Å; Q1307-H1310 PolarHBondContact O-N 2.81Å; F1308-H1310 PolarHBondContact O-N 3.36Å; H1310-Y1312 PolarHBondContact O-N 2.78Å; H1310-C1313 WeakPolarHBondContact O-CA 3.2Å; H1310-C1313 WeakPolarHBondContact O-CB 3.47Å; H1310-C1313 PolarHBondContact O-N 3.34Å; H1310-E1314 PolarHBondContact O-N 2.99Å
1311D91.1Very high92.9Very high22 Ų2223.4 Ų23.412%0.11811%0.112CC..Hα-helixtrans-52.7-39176.6-81.632.4000112.8R1274 Q1307R1274-D1311 IonicContact CZ-OD2 2.91Å; R1274-D1311 IonicContact NE-OD2 3.47Å; R1274-D1311 IonicContact NH1-OD2 3.64Å; R1274-D1311 PolarHBondContact NH1-OD2 2.74Å; R1274-D1311 IonicContact NH2-OD2 2.64Å; R1274-D1311 PolarHBondContact NH2-OD2 3.14Å; Q1307-D1311 WeakPolarHBondContact O-CB 3.19Å; Q1307-D1311 PolarHBondContact O-N 2.92Å
1312Y93.4Very high93.1Very high0 Ų024.3 Ų24.30%012%0.116CC..Hα-helixtrans-82.5-32.4174.9179.2-119000112.4V1186 F1262 E1267 K1268 F1308 H1310 E1314 R1315 V1316V1186-Y1312 HydrophobicContact CB-CD1 4.33Å; V1186-Y1312 HydrophobicContact CG1-CD1 3.93Å; V1186-Y1312 HydrophobicContact CG1-CE1 4.48Å; V1186-Y1312 HydrophobicContact CG2-CD1 3.61Å; V1186-Y1312 HydrophobicContact CG2-CE1 4.15Å; F1262-Y1312 HydrophobicContact CE1-CE2 4.49Å; F1262-Y1312 HydrophobicContact CZ-CE2 4.48Å; E1267-Y1312 HydrophobicContact CB-CE2 4.15Å; K1268-Y1312 HydrophobicContact CB-CD2 4.38Å; K1268-Y1312 HydrophobicContact CB-CE2 4.33Å; K1268-Y1312 HydrophobicContact CG-CD1 4.28Å; K1268-Y1312 HydrophobicContact CG-CD2 3.78Å; K1268-Y1312 HydrophobicContact CG-CE1 4.04Å; K1268-Y1312 HydrophobicContact CG-CE2 3.47Å; K1268-Y1312 VanDerWaalsContact CG-CE2 3.47Å; K1268-Y1312 HydrophobicContact CG-CG 4.18Å; F1308-Y1312 VanDerWaalsContact O-CB 3.3Å; F1308-Y1312 WeakPolarHBondContact O-CB 3.33Å; F1308-Y1312 PolarHBondContact O-N 2.69Å; H1310-Y1312 PolarHBondContact O-N 2.78Å; Y1312-E1314 VanDerWaalsContact C-N 3.34Å; Y1312-E1314 PolarHBondContact O-N 2.77Å; Y1312-R1315 WeakPolarHBondContact O-CB 3.24Å; Y1312-R1315 PolarHBondContact O-N 2.6Å; Y1312-V1316 HydrophobicContact CD1-CG2 4.22Å; Y1312-V1316 HydrophobicContact CD2-CG2 4.41Å; Y1312-V1316 HydrophobicContact CE1-CG2 3.8Å; Y1312-V1316 HydrophobicContact CE2-CG2 4.02Å; Y1312-V1316 HydrophobicContact CG-CG2 4.49Å; Y1312-V1316 WeakPolarHBondContact O-CG2 3.29Å; Y1312-V1316 PolarHBondContact O-N 2.86Å
1313C93.9Very high93.1Very high7 Ų723.6 Ų23.65%0.04711%0.113CC..Hα-helixtrans-60.9-38.5175.7-174.20000112.4L81 V1186 C1309 H1310 R1315 V1316 Q1317L81-C1313 HydrophobicContact CD2-CB 3.9Å; V1186-C1313 HydrophobicContact CG2-CB 3.86Å; C1309-C1313 WeakPolarHBondContact O-CB 3.47Å; C1309-C1313 PolarHBondContact O-N 2.78Å; H1310-C1313 WeakPolarHBondContact O-CA 3.2Å; H1310-C1313 WeakPolarHBondContact O-CB 3.47Å; H1310-C1313 PolarHBondContact O-N 3.34Å; C1313-R1315 VanDerWaalsContact C-N 3.34Å; C1313-R1315 PolarHBondContact O-N 3.45Å; C1313-V1316 CarbonylContact O-C 3.49Å; C1313-V1316 WeakPolarHBondContact O-CB 3.43Å; C1313-V1316 PolarHBondContact O-N 2.89Å; C1313-Q1317 WeakPolarHBondContact O-CG 3.48Å; C1313-Q1317 PolarHBondContact O-N 2.92Å
1314E91Very high93Very high76 Ų7620.6 Ų20.636%0.35510%0.099SC..Hα-helixtrans-58.1-45.6174.3-66.1-169.2149.900112.1H1310 Y1312 V1316 Q1317 H1318H1310-E1314 PolarHBondContact O-N 2.99Å; Y1312-E1314 VanDerWaalsContact C-N 3.34Å; Y1312-E1314 PolarHBondContact O-N 2.77Å; E1314-V1316 VanDerWaalsContact C-N 3.29Å; E1314-V1316 PolarHBondContact O-N 3.42Å; E1314-Q1317 WeakPolarHBondContact O-CB 3.42Å; E1314-Q1317 PolarHBondContact O-N 2.77Å; E1314-H1318 PolarHBondContact O-CD2 3.31Å; E1314-H1318 PolarHBondContact O-N 3.19Å
1315R89.8Confident93Very high31 Ų3119.9 Ų19.912%0.11710%0.096CC..Hα-helixtrans-63.2-35.5176.4-56.5-58.2-59162.57.7112.2E1267 Y1312 C1313 H1318 A1319 D1408E1267-R1315 VanDerWaalsContact CD-NH2 3.33Å; E1267-R1315 IonicContact OE1-CZ 2.69Å; E1267-R1315 IonicContact OE1-NH2 2.72Å; E1267-R1315 PolarHBondContact OE1-NH2 3.42Å; E1267-R1315 IonicContact OE2-CZ 3.51Å; E1267-R1315 VanDerWaalsContact OE2-CZ 3.28Å; E1267-R1315 IonicContact OE2-NE 2.7Å; E1267-R1315 PolarHBondContact OE2-NE 3.37Å; E1267-R1315 IonicContact OE2-NH2 3.71Å; E1267-R1315 PolarHBondContact OE2-NH2 2.98Å; Y1312-R1315 WeakPolarHBondContact O-CB 3.24Å; Y1312-R1315 PolarHBondContact O-N 2.6Å; C1313-R1315 VanDerWaalsContact C-N 3.34Å; C1313-R1315 PolarHBondContact O-N 3.45Å; R1315-H1318 WeakPolarHBondContact O-CB 3.17Å; R1315-A1319 PolarHBondContact O-N 3.39Å; R1315-D1408 WeakPolarHBondContact CD-OD1 3.15Å; R1315-D1408 IonicContact CZ-OD1 3.5Å; R1315-D1408 IonicContact NE-OD1 2.87Å; R1315-D1408 IonicContact NH1-OD1 2.62Å; R1315-D1408 PolarHBondContact NH1-OD1 3.03Å
1316V93.2Very high92.9Very high1 Ų119.9 Ų19.91%0.00610%0.096CC..Hα-helixtrans-69.6-41.3172.7170.30000112M77 N1189 G1190 A1193 F1262 Y1312 C1313 E1314 H1318 A1319 S1320M77-V1316 HydrophobicContact SD-CG1 3.82Å; N1189-V1316 VanDerWaalsContact C-CG1 3.46Å; N1189-V1316 HydrophobicContact CB-CG1 4.19Å; N1189-V1316 WeakPolarHBondContact O-CG1 3.44Å; G1190-V1316 VanDerWaalsContact CA-CG2 3.42Å; A1193-V1316 HydrophobicContact CB-CG1 3.97Å; F1262-V1316 HydrophobicContact CZ-CG2 4.41Å; Y1312-V1316 HydrophobicContact CD1-CG2 4.22Å; Y1312-V1316 HydrophobicContact CD2-CG2 4.41Å; Y1312-V1316 HydrophobicContact CE1-CG2 3.8Å; Y1312-V1316 HydrophobicContact CE2-CG2 4.02Å; Y1312-V1316 HydrophobicContact CG-CG2 4.49Å; Y1312-V1316 WeakPolarHBondContact O-CG2 3.29Å; Y1312-V1316 PolarHBondContact O-N 2.86Å; C1313-V1316 CarbonylContact O-C 3.49Å; C1313-V1316 WeakPolarHBondContact O-CB 3.43Å; C1313-V1316 PolarHBondContact O-N 2.89Å; E1314-V1316 VanDerWaalsContact C-N 3.29Å; E1314-V1316 PolarHBondContact O-N 3.42Å; V1316-H1318 VanDerWaalsContact C-N 3.31Å; V1316-H1318 PolarHBondContact O-N 2.97Å; V1316-A1319 PolarHBondContact O-N 3.07Å; V1316-S1320 WeakPolarHBondContact O-CB 3.12Å; V1316-S1320 PolarHBondContact O-N 3.25Å
1317Q94Very high92.7Very high18 Ų1819.4 Ų19.48%0.0849%0.091CC..Hα-helixtrans-59.6-41.2174.2-71.7177.27200111.1A74 V78 C1313 E1314 A1319 S1320 L1321 T1412 R1416A74-Q1317 HydrophobicContact CB-CB 3.85Å; A74-Q1317 HydrophobicContact CB-CG 3.81Å; V78-Q1317 VanDerWaalsContact CG2-CD 3.5Å; V78-Q1317 HydrophobicContact CG2-CG 4.12Å; C1313-Q1317 WeakPolarHBondContact O-CG 3.48Å; C1313-Q1317 PolarHBondContact O-N 2.92Å; E1314-Q1317 WeakPolarHBondContact O-CB 3.42Å; E1314-Q1317 PolarHBondContact O-N 2.77Å; Q1317-A1319 VanDerWaalsContact C-N 3.33Å; Q1317-A1319 PolarHBondContact O-N 3.47Å; Q1317-S1320 PolarHBondContact O-N 3.5Å; Q1317-L1321 WeakPolarHBondContact O-CB 3.27Å; Q1317-L1321 VanDerWaalsContact O-CG 3.3Å; Q1317-L1321 WeakPolarHBondContact O-CG 3.47Å; Q1317-L1321 PolarHBondContact O-N 3.42Å; Q1317-T1412 HydrophobicContact CB-CG2 4.48Å; Q1317-R1416 VanDerWaalsContact OE1-NH2 3.08Å
1318H92.8Very high92.5Very high6 Ų615.3 Ų15.33%0.0287%0.072CC..Hα-helixtrans-58.1-41.4175.5-81-152.9000113.1E1314 R1315 V1316 R1322 D1408 C1411 T1412 L1415E1314-H1318 PolarHBondContact O-CD2 3.31Å; E1314-H1318 PolarHBondContact O-N 3.19Å; R1315-H1318 WeakPolarHBondContact O-CB 3.17Å; V1316-H1318 VanDerWaalsContact C-N 3.31Å; V1316-H1318 PolarHBondContact O-N 2.97Å; H1318-R1322 WeakPolarHBondContact O-CG 3.22Å; H1318-R1322 PolarHBondContact O-N 2.87Å; H1318-R1322 PolarHBondContact O-NH1 2.85Å; H1318-D1408 IonicContact CE1-OD1 3.67Å; H1318-D1408 PolarHBondContact CE1-OD1 3.15Å; H1318-D1408 VanDerWaalsContact CE1-OD1 3.23Å; H1318-D1408 PolarHBondContact NE2-O 3.48Å; H1318-D1408 IonicContact NE2-OD1 3.44Å; H1318-C1411 PolarHBondContact CE1-SG 3.27Å; H1318-C1411 PolarHBondContact ND1-SG 3.4Å; H1318-C1411 VanDerWaalsContact ND1-SG 3.41Å; H1318-T1412 PolarHBondContact CD2-OG1 2.99Å; H1318-T1412 VanDerWaalsContact CD2-OG1 3.23Å; H1318-T1412 PolarHBondContact NE2-OG1 3.21Å; H1318-L1415 HydrophobicContact CB-CD1 4.48Å
1319A91.8Very high92.3Very high5 Ų515.2 Ų15.24%0.0417%0.071CC..Hα-helixtrans-73.5-43.5177.500000111.6A1193 L1197 F1262 R1315 V1316 Q1317 R1322 A1323A1193-A1319 HydrophobicContact CB-CB 3.93Å; L1197-A1319 HydrophobicContact CD2-CB 4.28Å; F1262-A1319 HydrophobicContact CD2-CB 3.64Å; F1262-A1319 HydrophobicContact CE2-CB 3.72Å; F1262-A1319 HydrophobicContact CG-CB 4.34Å; F1262-A1319 HydrophobicContact CZ-CB 4.48Å; R1315-A1319 PolarHBondContact O-N 3.39Å; V1316-A1319 PolarHBondContact O-N 3.07Å; Q1317-A1319 VanDerWaalsContact C-N 3.33Å; Q1317-A1319 PolarHBondContact O-N 3.47Å; A1319-R1322 PolarHBondContact O-N 2.85Å; A1319-A1323 WeakPolarHBondContact O-CB 3.34Å; A1319-A1323 PolarHBondContact O-N 2.85Å
1320S93.6Very high92Very high0 Ų016 Ų160%08%0.076CC..Hα-helixtrans-60.6-45.9176.8172.50000112.6Q73 A74 V1316 Q1317 A1323 Q1324Q73-S1320 WeakPolarHBondContact CB-OG 3.38Å; Q73-S1320 WeakPolarHBondContact CG-OG 3.35Å; Q73-S1320 PolarHBondContact OE1-OG 2.88Å; A74-S1320 PolarHBondContact N-OG 3.27Å; V1316-S1320 WeakPolarHBondContact O-CB 3.12Å; V1316-S1320 PolarHBondContact O-N 3.25Å; Q1317-S1320 PolarHBondContact O-N 3.5Å; S1320-A1323 PolarHBondContact O-N 3.46Å; S1320-Q1324 WeakPolarHBondContact O-CB 3.34Å; S1320-Q1324 PolarHBondContact O-N 3.28Å
1321L94.2Very high91.6Very high0 Ų012.7 Ų12.70%06%0.063CC..Hα-helixtrans-62.8-44.6176.4-71.7169.1000111.5L72 A74 Q1317 A1323 Q1324 I1325 T1412 L1415 R1416 A1419L72-L1321 HydrophobicContact CB-CD2 4.39Å; L72-L1321 HydrophobicContact CD1-CD2 4.07Å; A74-L1321 HydrophobicContact CB-CD1 4.25Å; A74-L1321 HydrophobicContact CB-CD2 3.91Å; A74-L1321 HydrophobicContact CB-CG 3.74Å; Q1317-L1321 WeakPolarHBondContact O-CB 3.27Å; Q1317-L1321 VanDerWaalsContact O-CG 3.3Å; Q1317-L1321 WeakPolarHBondContact O-CG 3.47Å; Q1317-L1321 PolarHBondContact O-N 3.42Å; L1321-A1323 PolarHBondContact O-N 3.09Å; L1321-Q1324 PolarHBondContact O-N 2.68Å; L1321-I1325 WeakPolarHBondContact O-CB 3.33Å; L1321-I1325 WeakPolarHBondContact O-CD1 3.45Å; L1321-I1325 WeakPolarHBondContact O-CG1 3.47Å; L1321-I1325 PolarHBondContact O-N 3Å; L1321-T1412 HydrophobicContact CD1-CG2 4.1Å; L1321-L1415 HydrophobicContact CB-CB 3.97Å; L1321-L1415 HydrophobicContact CB-CD1 4.48Å; L1321-L1415 HydrophobicContact CD1-CB 3.75Å; L1321-L1415 HydrophobicContact CG-CB 4.45Å; L1321-R1416 HydrophobicContact CD1-CB 4.45Å; L1321-A1419 HydrophobicContact CD2-CB 4.17Å
1322R93.5Very high91.6Very high18 Ų1811.7 Ų11.77%0.0686%0.058CC..Hα-helixtrans-61-43.7175.1-74-179.6175.8931.1111.7L1197 H1318 A1319 Q1324 I1325 I1326 V1399 V1402 L1415L1197-R1322 HydrophobicContact CD1-CB 3.79Å; H1318-R1322 WeakPolarHBondContact O-CG 3.22Å; H1318-R1322 PolarHBondContact O-N 2.87Å; H1318-R1322 PolarHBondContact O-NH1 2.85Å; A1319-R1322 PolarHBondContact O-N 2.85Å; R1322-Q1324 PolarHBondContact O-N 3.49Å; R1322-I1325 PolarHBondContact O-N 3.35Å; R1322-I1326 WeakPolarHBondContact O-CD1 3.49Å; R1322-I1326 VanDerWaalsContact O-CG1 3.24Å; R1322-I1326 WeakPolarHBondContact O-CG1 3.34Å; R1322-I1326 PolarHBondContact O-N 2.88Å; R1322-V1399 HydrophobicContact CB-CG1 4.34Å; R1322-V1399 VanDerWaalsContact CD-O 3.26Å; R1322-V1399 WeakPolarHBondContact CD-O 3.31Å; R1322-V1399 HydrophobicContact CG-CG1 4.27Å; R1322-V1399 WeakPolarHBondContact CG-O 3.43Å; R1322-V1399 PolarHBondContact NE-O 3.43Å; R1322-V1399 VanDerWaalsContact NE-O 3.15Å; R1322-V1402 PolarHBondContact NH2-O 2.96Å; R1322-L1415 HydrophobicContact CG-CD1 4.32Å; R1322-L1415 HydrophobicContact CG-CD2 3.9Å
1323A92.2Very high91.3Very high0 Ų011.7 Ų11.70%06%0.058CC..Hα-helixtrans-59.5-46.5176.200000111.8L1196 L1197 N1200 A1319 S1320 L1321 I1326 E1327L1196-A1323 HydrophobicContact CB-CB 4.05Å; L1197-A1323 HydrophobicContact CB-CB 4.12Å; L1197-A1323 HydrophobicContact CD1-CB 4.13Å; N1200-A1323 PolarHBondContact ND2-O 2.95Å; A1319-A1323 WeakPolarHBondContact O-CB 3.34Å; A1319-A1323 PolarHBondContact O-N 2.85Å; S1320-A1323 PolarHBondContact O-N 3.46Å; L1321-A1323 PolarHBondContact O-N 3.09Å; A1323-I1326 PolarHBondContact O-N 3.45Å; A1323-E1327 WeakPolarHBondContact O-CB 3.37Å; A1323-E1327 PolarHBondContact O-N 2.7Å
1324Q91.5Very high90.9Very high13 Ų1314.2 Ų14.26%0.0617%0.07CC..Hα-helixtrans-68.1-37.3179.3-170.7175.810.200112.6F71 S1320 L1321 R1322 E1327 T1328F71-Q1324 PolarHBondContact O-NE2 3.36Å; S1320-Q1324 WeakPolarHBondContact O-CB 3.34Å; S1320-Q1324 PolarHBondContact O-N 3.28Å; L1321-Q1324 PolarHBondContact O-N 2.68Å; R1322-Q1324 PolarHBondContact O-N 3.49Å; Q1324-E1327 PolarHBondContact O-N 3.11Å; Q1324-T1328 VanDerWaalsContact O-CB 3.32Å; Q1324-T1328 WeakPolarHBondContact O-CB 3.38Å; Q1324-T1328 PolarHBondContact O-N 2.8Å; Q1324-T1328 PolarHBondContact O-OG1 2.76Å
1325I92.8Very high90.5Very high0 Ų010.9 Ų10.90%06%0.055CC..Hα-helixtrans-63.2-48.6174.8-69.1161.2000110.2L1321 R1322 E1327 T1328 Y1329 V1399 L1415 M1418 A1419L1321-I1325 WeakPolarHBondContact O-CB 3.33Å; L1321-I1325 WeakPolarHBondContact O-CD1 3.45Å; L1321-I1325 WeakPolarHBondContact O-CG1 3.47Å; L1321-I1325 PolarHBondContact O-N 3Å; R1322-I1325 PolarHBondContact O-N 3.35Å; I1325-E1327 VanDerWaalsContact C-N 3.33Å; I1325-E1327 PolarHBondContact O-N 2.86Å; I1325-T1328 PolarHBondContact O-N 3.26Å; I1325-Y1329 HydrophobicContact CG2-CD2 3.66Å; I1325-Y1329 HydrophobicContact CG2-CE2 3.63Å; I1325-Y1329 WeakPolarHBondContact O-CD2 3.38Å; I1325-Y1329 PolarHBondContact O-N 3.26Å; I1325-V1399 HydrophobicContact CB-CG1 3.93Å; I1325-V1399 HydrophobicContact CD1-CG1 4.43Å; I1325-V1399 HydrophobicContact CG2-CG1 3.62Å; I1325-V1399 HydrophobicContact CG2-CG2 4.03Å; I1325-L1415 HydrophobicContact CD1-CD2 3.96Å; I1325-M1418 HydrophobicContact CD1-CB 4.26Å; I1325-M1418 HydrophobicContact CD1-CG 4.27Å; I1325-M1418 HydrophobicContact CD1-SD 4.32Å; I1325-M1418 HydrophobicContact CG2-CE 4.36Å; I1325-A1419 HydrophobicContact CD1-CB 4.15Å; I1325-A1419 HydrophobicContact CG1-CB 3.73Å
1326I91.8Very high90.3Very high0 Ų09.5 Ų9.50%05%0.05CC..Hα-helixtrans-62-42.1178.5-64.7164.9000110.5L1197 N1200 Y1206 R1322 A1323 T1328 S1330 F1396 V1399 L1400L1197-I1326 HydrophobicContact CD1-CD1 4.2Å; N1200-I1326 HydrophobicContact CB-CB 4.31Å; N1200-I1326 HydrophobicContact CB-CG2 3.93Å; N1200-I1326 VanDerWaalsContact O-CG2 3.3Å; N1200-I1326 WeakPolarHBondContact O-CG2 3.37Å; Y1206-I1326 HydrophobicContact CE2-CG2 4.32Å; Y1206-I1326 PolarHBondContact OH-O 3.24Å; R1322-I1326 WeakPolarHBondContact O-CD1 3.49Å; R1322-I1326 VanDerWaalsContact O-CG1 3.24Å; R1322-I1326 WeakPolarHBondContact O-CG1 3.34Å; R1322-I1326 PolarHBondContact O-N 2.88Å; A1323-I1326 PolarHBondContact O-N 3.45Å; I1326-T1328 PolarHBondContact O-N 2.93Å; I1326-S1330 WeakPolarHBondContact O-CB 3.05Å; I1326-S1330 PolarHBondContact O-N 3.44Å; I1326-S1330 PolarHBondContact O-OG 2.65Å; I1326-F1396 HydrophobicContact CB-CB 4.44Å; I1326-F1396 HydrophobicContact CD1-CB 4.09Å; I1326-F1396 HydrophobicContact CG1-CB 3.94Å; I1326-F1396 HydrophobicContact CG2-CB 3.65Å; I1326-V1399 HydrophobicContact CD1-CB 4.29Å; I1326-V1399 HydrophobicContact CD1-CG1 4.33Å; I1326-V1399 HydrophobicContact CG1-CB 3.86Å; I1326-V1399 HydrophobicContact CG1-CG1 3.87Å; I1326-V1399 HydrophobicContact CG1-CG2 4.32Å; I1326-L1400 HydrophobicContact CD1-CD2 3.94Å; I1326-L1400 HydrophobicContact CD1-CG 4.34Å
1327E88.9Confident89.7Confident35 Ų3513.3 Ų13.316%0.1647%0.068CC..Hα-helixtrans-60.6-44.3175.9-156-179.6-177.700112.3N1200 A1323 Q1324 I1325 S1330 S1331 W1640 K1641N1200-E1327 WeakPolarHBondContact ND2-CB 3.49Å; A1323-E1327 WeakPolarHBondContact O-CB 3.37Å; A1323-E1327 PolarHBondContact O-N 2.7Å; Q1324-E1327 PolarHBondContact O-N 3.11Å; I1325-E1327 VanDerWaalsContact C-N 3.33Å; I1325-E1327 PolarHBondContact O-N 2.86Å; E1327-S1330 PolarHBondContact O-N 2.81Å; E1327-S1331 PolarHBondContact O-N 3.27Å; E1327-W1640 HydrophobicContact CB-CH2 4.41Å; E1327-W1640 HydrophobicContact CG-CH2 3.98Å; E1327-W1640 HydrophobicContact CG-CZ2 4.32Å; E1327-K1641 WeakPolarHBondContact OE1-CE 3.38Å; E1327-K1641 IonicContact OE1-NZ 2.77Å; E1327-K1641 PolarHBondContact OE1-NZ 3.13Å
1328T89.7Confident88.8Confident2 Ų215.6 Ų15.61%0.0128%0.08CC..Hα-helixtrans-66.5-45.3-178.3-57.60000111Q1324 I1325 I1326 S1331 I1332 A1422 H1426Q1324-T1328 VanDerWaalsContact O-CB 3.32Å; Q1324-T1328 WeakPolarHBondContact O-CB 3.38Å; Q1324-T1328 PolarHBondContact O-N 2.8Å; Q1324-T1328 PolarHBondContact O-OG1 2.76Å; I1325-T1328 PolarHBondContact O-N 3.26Å; I1326-T1328 PolarHBondContact O-N 2.93Å; T1328-S1331 PolarHBondContact O-N 3.37Å; T1328-I1332 HydrophobicContact CG2-CD1 4.41Å; T1328-I1332 WeakPolarHBondContact O-CG1 3.17Å; T1328-I1332 PolarHBondContact O-N 3.29Å; T1328-A1422 HydrophobicContact CG2-CB 4.02Å; T1328-A1422 WeakPolarHBondContact CG2-O 3.45Å; T1328-H1426 HydrophobicContact CG2-CB 3.69Å
1329Y91.3Very high88.3Confident1 Ų115.3 Ų15.30%0.0048%0.079CC..Hα-helixtrans-67.6-33.4174.6-77.5-59.8000112.9I1325 I1332 L1333 I1393 P1394 M1418 A1422I1325-Y1329 HydrophobicContact CG2-CD2 3.66Å; I1325-Y1329 HydrophobicContact CG2-CE2 3.63Å; I1325-Y1329 WeakPolarHBondContact O-CD2 3.38Å; I1325-Y1329 PolarHBondContact O-N 3.26Å; Y1329-I1332 HydrophobicContact CD1-CD1 4.01Å; Y1329-I1332 HydrophobicContact CE1-CD1 4.33Å; Y1329-I1332 PolarHBondContact O-N 2.86Å; Y1329-L1333 WeakPolarHBondContact O-CG 3.49Å; Y1329-L1333 PolarHBondContact O-N 3.09Å; Y1329-I1393 HydrophobicContact CD1-CB 4.41Å; Y1329-I1393 HydrophobicContact CD1-CG1 4.22Å; Y1329-I1393 HydrophobicContact CD1-CG2 3.89Å; Y1329-I1393 HydrophobicContact CE1-CG1 4.47Å; Y1329-I1393 HydrophobicContact CG-CG2 4.24Å; Y1329-P1394 HydrophobicContact CD2-CG 3.92Å; Y1329-P1394 HydrophobicContact CE2-CG 3.7Å; Y1329-M1418 HydrophobicContact CE2-CE 4.3Å; Y1329-A1422 HydrophobicContact CD2-CB 4.48Å; Y1329-A1422 HydrophobicContact CE1-CB 4.22Å; Y1329-A1422 HydrophobicContact CE2-CB 3.84Å
1330S87.7Confident87.7Confident15 Ų1517.9 Ų17.911%0.10510%0.096CC..Hα-helixtrans-64.9-42.1173.7-54.40000111.4F1205 Y1206 I1326 E1327 L1333 I1334F1205-S1330 VanDerWaalsContact CE1-CB 3.46Å; F1205-S1330 WeakPolarHBondContact CZ-O 3.38Å; Y1206-S1330 WeakPolarHBondContact CE2-OG 3.49Å; Y1206-S1330 PolarHBondContact OH-OG 3.21Å; I1326-S1330 WeakPolarHBondContact O-CB 3.05Å; I1326-S1330 PolarHBondContact O-N 3.44Å; I1326-S1330 PolarHBondContact O-OG 2.65Å; E1327-S1330 PolarHBondContact O-N 2.81Å; S1330-L1333 PolarHBondContact O-N 2.97Å; S1330-I1334 WeakPolarHBondContact O-CD1 3.33Å; S1330-I1334 WeakPolarHBondContact O-CG1 3.2Å; S1330-I1334 PolarHBondContact O-N 3.1Å
1331S86.3Confident87Confident17 Ų1720.8 Ų20.812%0.11911%0.113CC..Hα-helixtrans-62.3-41.2172.2-1750000112.3E1327 T1328 L1333 I1334 T1335 H1426 H1430E1327-S1331 PolarHBondContact O-N 3.27Å; T1328-S1331 PolarHBondContact O-N 3.37Å; S1331-L1333 PolarHBondContact O-N 2.54Å; S1331-I1334 PolarHBondContact O-N 2.87Å; S1331-T1335 PolarHBondContact O-N 2.78Å; S1331-T1335 PolarHBondContact O-OG1 3.24Å; S1331-H1426 WeakPolarHBondContact CB-NE2 3.3Å; S1331-H1426 PolarHBondContact OG-CD2 3.2Å; S1331-H1426 PolarHBondContact OG-NE2 3.32Å; S1331-H1430 PolarHBondContact OG-NE2 2.92Å
1332I89.6Confident86.4Confident0 Ų020.9 Ų20.90%011%0.114CC..Hα-helixtrans-59.5-45.1173.1-71.8167.2000111.1T1328 Y1329 I1334 T1335 L1336 I1393 L1425 H1426 L1429T1328-I1332 HydrophobicContact CG2-CD1 4.41Å; T1328-I1332 WeakPolarHBondContact O-CG1 3.17Å; T1328-I1332 PolarHBondContact O-N 3.29Å; Y1329-I1332 HydrophobicContact CD1-CD1 4.01Å; Y1329-I1332 HydrophobicContact CE1-CD1 4.33Å; Y1329-I1332 PolarHBondContact O-N 2.86Å; I1332-I1334 PolarHBondContact O-N 3.19Å; I1332-T1335 PolarHBondContact O-N 2.82Å; I1332-L1336 HydrophobicContact CG2-CD1 3.7Å; I1332-L1336 HydrophobicContact CG2-CG 4.18Å; I1332-L1336 WeakPolarHBondContact O-CB 3.32Å; I1332-L1336 VanDerWaalsContact O-CG 3.29Å; I1332-L1336 WeakPolarHBondContact O-CG 3.32Å; I1332-L1336 PolarHBondContact O-N 3.07Å; I1332-I1393 HydrophobicContact CG2-CD1 3.82Å; I1332-L1425 HydrophobicContact CD1-CD2 4.33Å; I1332-L1425 HydrophobicContact CD1-CG 4.35Å; I1332-H1426 HydrophobicContact CD1-CB 4.04Å; I1332-H1426 HydrophobicContact CG1-CB 4.01Å; I1332-L1429 HydrophobicContact CG1-CD1 4.25Å; I1332-L1429 HydrophobicContact CG2-CD1 3.84Å
1333L88.2Confident85.9Confident1 Ų122.4 Ų22.41%0.00512%0.119CC..Hα-helixtrans-62.7-40.6178.7-73.6169000112.6F1205 Y1206 H1209 Y1329 S1330 S1331 L1336 E1337 I1349 I1393F1205-L1333 HydrophobicContact CE1-CB 4.47Å; F1205-L1333 HydrophobicContact CE1-CD1 4.2Å; F1205-L1333 HydrophobicContact CZ-CB 4.32Å; Y1206-L1333 HydrophobicContact CD1-CD1 4Å; Y1206-L1333 HydrophobicContact CE1-CD1 3.61Å; H1209-L1333 HydrophobicContact CB-CD2 4.45Å; Y1329-L1333 WeakPolarHBondContact O-CG 3.49Å; Y1329-L1333 PolarHBondContact O-N 3.09Å; S1330-L1333 PolarHBondContact O-N 2.97Å; S1331-L1333 PolarHBondContact O-N 2.54Å; L1333-L1336 PolarHBondContact O-N 2.83Å; L1333-E1337 WeakPolarHBondContact O-CG 3.36Å; L1333-E1337 PolarHBondContact O-N 3.2Å; L1333-E1337 VanDerWaalsContact O-N 3.08Å; L1333-I1349 HydrophobicContact CD2-CD1 3.8Å; L1333-I1349 HydrophobicContact CD2-CG1 4.13Å; L1333-I1393 HydrophobicContact CD1-CG2 4.22Å; L1333-I1393 HydrophobicContact CD2-CD1 3.92Å; L1333-I1393 HydrophobicContact CD2-CG2 4.21Å; L1333-I1393 HydrophobicContact CG-CD1 4.43Å; L1333-I1393 HydrophobicContact CG-CG2 4.19Å
1334I84.2Confident85.4Confident60 Ų6029.4 Ų29.431%0.30815%0.152SC..Hα-helixtrans-62.4-46174.1-66.1158.3000110.6T975 F1205 S1330 S1331 I1332 L1336 E1337 N1338T975-I1334 HydrophobicContact CG2-CD1 4.14Å; F1205-I1334 HydrophobicContact CE2-CD1 3.87Å; F1205-I1334 HydrophobicContact CE2-CG1 3.75Å; F1205-I1334 HydrophobicContact CZ-CD1 3.98Å; F1205-I1334 HydrophobicContact CZ-CG1 3.78Å; S1330-I1334 WeakPolarHBondContact O-CD1 3.33Å; S1330-I1334 WeakPolarHBondContact O-CG1 3.2Å; S1330-I1334 PolarHBondContact O-N 3.1Å; S1331-I1334 PolarHBondContact O-N 2.87Å; I1332-I1334 PolarHBondContact O-N 3.19Å; I1334-L1336 VanDerWaalsContact C-N 3.34Å; I1334-L1336 PolarHBondContact O-N 3.13Å; I1334-E1337 WeakPolarHBondContact O-CB 3.49Å; I1334-E1337 PolarHBondContact O-N 2.9Å; I1334-N1338 PolarHBondContact O-ND2 2.68Å; I1334-N1338 VanDerWaalsContact O-ND2 3.08Å
1335T83.3Confident84.9Confident6 Ų632 Ų324%0.03716%0.164CC..Hα-helixtrans-62-41.9175.8-66.10000111.2S1331 I1332 E1337 N1338 H1430 V1433S1331-T1335 PolarHBondContact O-N 2.78Å; S1331-T1335 PolarHBondContact O-OG1 3.24Å; I1332-T1335 PolarHBondContact O-N 2.82Å; T1335-E1337 VanDerWaalsContact C-N 3.3Å; T1335-E1337 PolarHBondContact O-N 2.92Å; T1335-N1338 VanDerWaalsContact O-CB 3.28Å; T1335-N1338 WeakPolarHBondContact O-CB 3.26Å; T1335-N1338 PolarHBondContact O-N 2.88Å; T1335-N1338 VanDerWaalsContact O-N 3.13Å; T1335-N1338 PolarHBondContact O-ND2 3.2Å; T1335-H1430 PolarHBondContact OG1-CE1 2.86Å; T1335-H1430 PolarHBondContact OG1-NE2 2.96Å; T1335-V1433 HydrophobicContact CG2-CB 4.24Å; T1335-V1433 HydrophobicContact CG2-CG1 4.46Å; T1335-V1433 HydrophobicContact CG2-CG2 3.82Å
1336L85.9Confident84.4Confident1 Ų132.1 Ų32.11%0.00517%0.165CC..Hα-helixtrans-70.7-13.8178.3-71.4176.7000114.9I1332 L1333 I1334 N1338 V1339 V1342 R1343 F1347 I1393I1332-L1336 HydrophobicContact CG2-CD1 3.7Å; I1332-L1336 HydrophobicContact CG2-CG 4.18Å; I1332-L1336 WeakPolarHBondContact O-CB 3.32Å; I1332-L1336 VanDerWaalsContact O-CG 3.29Å; I1332-L1336 WeakPolarHBondContact O-CG 3.32Å; I1332-L1336 PolarHBondContact O-N 3.07Å; L1333-L1336 PolarHBondContact O-N 2.83Å; I1334-L1336 VanDerWaalsContact C-N 3.34Å; I1334-L1336 PolarHBondContact O-N 3.13Å; L1336-N1338 PolarHBondContact O-N 2.94Å; L1336-V1339 HydrophobicContact CD2-CG2 3.89Å; L1336-V1339 PolarHBondContact O-N 2.96Å; L1336-V1342 HydrophobicContact CD2-CG1 4.46Å; L1336-R1343 HydrophobicContact CB-CB 4.26Å; L1336-R1343 HydrophobicContact CB-CG 4.35Å; L1336-F1347 HydrophobicContact CD1-CB 4.3Å; L1336-F1347 HydrophobicContact CD1-CD1 3.98Å; L1336-F1347 HydrophobicContact CD1-CD2 3.67Å; L1336-F1347 HydrophobicContact CD1-CE1 4.21Å; L1336-F1347 HydrophobicContact CD1-CE2 3.93Å; L1336-F1347 HydrophobicContact CD1-CG 3.69Å; L1336-F1347 HydrophobicContact CD1-CZ 4.2Å; L1336-F1347 HydrophobicContact CD2-CD2 3.9Å; L1336-F1347 HydrophobicContact CD2-CE2 3.68Å; L1336-F1347 HydrophobicContact CD2-CZ 4.36Å; L1336-F1347 HydrophobicContact CG-CD2 4.47Å; L1336-F1347 HydrophobicContact CG-CE2 4.47Å; L1336-I1393 HydrophobicContact CD1-CD1 3.72Å
1337E81.2Confident84.2Confident81 Ų8132.8 Ų32.838%0.37917%0.167SC..THydrogen-bonded Turntrans-62.4-25.3167.4-63.7-135.4124.300112.3K977 H1209 L1333 I1334 T1335K977-E1337 IonicContact NZ-OE2 2.7Å; H1209-E1337 VanDerWaalsContact CE1-CD 3.49Å; H1209-E1337 IonicContact CE1-OE1 2.84Å; H1209-E1337 PolarHBondContact CE1-OE1 3.37Å; H1209-E1337 VanDerWaalsContact CE1-OE1 3.23Å; H1209-E1337 IonicContact ND1-OE1 3.85Å; H1209-E1337 PolarHBondContact ND1-OE1 2.65Å; L1333-E1337 WeakPolarHBondContact O-CG 3.36Å; L1333-E1337 PolarHBondContact O-N 3.2Å; L1333-E1337 VanDerWaalsContact O-N 3.08Å; I1334-E1337 WeakPolarHBondContact O-CB 3.49Å; I1334-E1337 PolarHBondContact O-N 2.9Å; T1335-E1337 VanDerWaalsContact C-N 3.3Å; T1335-E1337 PolarHBondContact O-N 2.92Å
1338N74.7Confident84.1Confident66 Ų6632 Ų3235%0.35316%0.164SC..THydrogen-bonded Turntrans-81.4-13.5-177.3-63.3-92.2000114I1334 T1335 L1336 R1437I1334-N1338 PolarHBondContact O-ND2 2.68Å; I1334-N1338 VanDerWaalsContact O-ND2 3.08Å; T1335-N1338 VanDerWaalsContact O-CB 3.28Å; T1335-N1338 WeakPolarHBondContact O-CB 3.26Å; T1335-N1338 PolarHBondContact O-N 2.88Å; T1335-N1338 VanDerWaalsContact O-N 3.13Å; T1335-N1338 PolarHBondContact O-ND2 3.2Å; L1336-N1338 PolarHBondContact O-N 2.94Å; N1338-R1437 VanDerWaalsContact CG-NH2 3.35Å; N1338-R1437 PolarHBondContact OD1-NH1 3.49Å; N1338-R1437 PolarHBondContact OD1-NH2 2.91Å
1339V82.4Confident83.8Confident1 Ų132.8 Ų32.81%0.00617%0.168CC..  trans-13867.8-171.6-750000109.7L1336 V1341 V1342 R1343 V1433 V1514 D1515 I1518L1336-V1339 HydrophobicContact CD2-CG2 3.89Å; L1336-V1339 PolarHBondContact O-N 2.96Å; V1339-V1341 VanDerWaalsContact C-N 3.29Å; V1339-V1341 PolarHBondContact O-N 2.81Å; V1339-V1342 HydrophobicContact CB-CB 4.16Å; V1339-V1342 HydrophobicContact CB-CG2 4.16Å; V1339-V1342 HydrophobicContact CG2-CB 4.27Å; V1339-V1342 PolarHBondContact O-N 2.72Å; V1339-R1343 PolarHBondContact O-N 2.79Å; V1339-V1433 HydrophobicContact CG1-CG2 4.3Å; V1339-V1433 HydrophobicContact CG2-CG2 4.28Å; V1339-V1514 HydrophobicContact CG1-CG1 3.98Å; V1339-D1515 VanDerWaalsContact C-OD1 3.27Å; V1339-D1515 WeakPolarHBondContact CA-OD1 3.11Å; V1339-D1515 WeakPolarHBondContact CB-OD1 3.16Å; V1339-I1518 HydrophobicContact CG1-CD1 3.72Å
1340P78.4Confident83.4Confident59 Ų5932.9 Ų32.938%0.38317%0.17SC..Hα-helixtrans-65.8-29.7-166.526.5-34.9000113R1343 E1344P1340-R1343 PolarHBondContact O-N 3.22Å; P1340-E1344 WeakPolarHBondContact O-CG 3.36Å; P1340-E1344 PolarHBondContact O-N 3.48Å
1341V78.6Confident83Confident61 Ų6136.2 Ų36.237%0.3718%0.181SC..Hα-helixtrans-71.4-43.1178.2-175.50000110.2V1339 R1343 E1344 E1345 D1515V1339-V1341 VanDerWaalsContact C-N 3.29Å; V1339-V1341 PolarHBondContact O-N 2.81Å; V1341-R1343 VanDerWaalsContact C-N 3.31Å; V1341-R1343 PolarHBondContact O-N 2.74Å; V1341-E1344 PolarHBondContact O-N 2.95Å; V1341-E1345 WeakPolarHBondContact O-CB 3.38Å; V1341-E1345 PolarHBondContact O-N 3.43Å; V1341-D1515 HydrophobicContact CB-CB 3.89Å; V1341-D1515 HydrophobicContact CG2-CB 4.39Å; V1341-D1515 PolarHBondContact N-OD1 3.25Å
1342V82.5Confident82.4Confident1 Ų137 Ų371%0.00619%0.187CC..Hα-helixtrans-59.4-44.4173.6179.90000110.7L1336 V1339 E1344 E1345 F1346 F1347 D1515 I1518 L1522L1336-V1342 HydrophobicContact CD2-CG1 4.46Å; V1339-V1342 HydrophobicContact CB-CB 4.16Å; V1339-V1342 HydrophobicContact CB-CG2 4.16Å; V1339-V1342 HydrophobicContact CG2-CB 4.27Å; V1339-V1342 PolarHBondContact O-N 2.72Å; V1342-E1344 PolarHBondContact O-N 2.85Å; V1342-E1345 PolarHBondContact O-N 3.43Å; V1342-F1346 HydrophobicContact CG1-CD2 4.16Å; V1342-F1346 WeakPolarHBondContact O-CB 3.39Å; V1342-F1346 PolarHBondContact O-N 3.21Å; V1342-F1347 HydrophobicContact CG1-CD2 4.45Å; V1342-F1347 HydrophobicContact CG1-CE2 4.08Å; V1342-D1515 HydrophobicContact CG2-CB 4.09Å; V1342-D1515 WeakPolarHBondContact CG2-O 3.34Å; V1342-D1515 PolarHBondContact N-OD1 3.11Å; V1342-I1518 HydrophobicContact CG1-CG2 3.85Å; V1342-I1518 HydrophobicContact CG2-CB 3.94Å; V1342-I1518 HydrophobicContact CG2-CG2 3.91Å; V1342-L1522 HydrophobicContact CG1-CD1 3.67Å
1343R83.2Confident81.7Confident51 Ų5142.7 Ų42.719%0.19221%0.213CC..Hα-helixtrans-58.8-42.9176.3179.3-179.2161.3-165.4-3.4112.6H1209 L1336 V1339 P1340 V1341 F1347H1209-R1343 PolarHBondContact O-NH2 2.84Å; L1336-R1343 HydrophobicContact CB-CB 4.26Å; L1336-R1343 HydrophobicContact CB-CG 4.35Å; V1339-R1343 PolarHBondContact O-N 2.79Å; P1340-R1343 PolarHBondContact O-N 3.22Å; V1341-R1343 VanDerWaalsContact C-N 3.31Å; V1341-R1343 PolarHBondContact O-N 2.74Å; R1343-F1347 PolarHBondContact O-N 2.79Å
1344E80.8Confident81Confident146 Ų14644.5 Ų44.568%0.68222%0.221SC*.Hα-helixtrans-85.4-17.2-177.7-71.6-171.2-169.400115.3P1340 V1341 V1342 R1373P1340-E1344 WeakPolarHBondContact O-CG 3.36Å; P1340-E1344 PolarHBondContact O-N 3.48Å; V1341-E1344 PolarHBondContact O-N 2.95Å; V1342-E1344 PolarHBondContact O-N 2.85Å; E1344-R1373 PolarHBondContact O-NH2 2.91Å; E1344-R1373 VanDerWaalsContact O-NH2 3.12Å
1345E81.2Confident80.4Confident67 Ų6751 Ų5131%0.31325%0.247SC..Hα-helixtrans-92-43176.2-167.4-172.515200112.6V1341 V1342 L1372 R1523V1341-E1345 WeakPolarHBondContact O-CB 3.38Å; V1341-E1345 PolarHBondContact O-N 3.43Å; V1342-E1345 PolarHBondContact O-N 3.43Å; E1345-L1372 HydrophobicContact CG-CD1 4.28Å; E1345-R1523 IonicContact OE1-CZ 3.92Å; E1345-R1523 IonicContact OE1-NE 3.16Å; E1345-R1523 IonicContact OE1-NH2 3.22Å; E1345-R1523 PolarHBondContact OE1-NH2 2.79Å; E1345-R1523 IonicContact OE2-NH2 2.73Å; E1345-R1523 PolarHBondContact OE2-NH2 2.79Å
1346F81.9Confident79.9Confident3 Ų352.7 Ų52.71%0.01325%0.254CS..Hα-helixtrans-100.3-44.4-171.1-68.9-99.6000113.9V1342 L1372 W1391 A1519 L1522 R1523V1342-F1346 HydrophobicContact CG1-CD2 4.16Å; V1342-F1346 WeakPolarHBondContact O-CB 3.39Å; V1342-F1346 PolarHBondContact O-N 3.21Å; F1346-L1372 HydrophobicContact CD1-CD1 3.76Å; F1346-L1372 HydrophobicContact CD1-CD2 4.39Å; F1346-L1372 HydrophobicContact CE1-CD1 3.7Å; F1346-L1372 HydrophobicContact CE2-CD1 4.47Å; F1346-L1372 HydrophobicContact CG-CD1 4.19Å; F1346-L1372 HydrophobicContact CZ-CD1 4.06Å; F1346-W1391 VanDerWaalsContact O-CB 3.29Å; F1346-W1391 WeakPolarHBondContact O-CB 3.14Å; F1346-A1519 HydrophobicContact CE2-CB 3.46Å; F1346-A1519 VanDerWaalsContact CE2-CB 3.46Å; F1346-A1519 HydrophobicContact CZ-CB 3.64Å; F1346-A1519 WeakPolarHBondContact CZ-O 3.33Å; F1346-L1522 HydrophobicContact CB-CD1 4.27Å; F1346-L1522 HydrophobicContact CD1-CB 3.72Å; F1346-L1522 HydrophobicContact CD1-CD1 4.07Å; F1346-L1522 HydrophobicContact CD2-CD1 4.48Å; F1346-L1522 HydrophobicContact CE1-CB 3.64Å; F1346-L1522 HydrophobicContact CG-CB 4.45Å; F1346-L1522 HydrophobicContact CG-CD1 4.01Å; F1346-L1522 HydrophobicContact CZ-CB 4.33Å; F1346-R1523 HydrophobicContact CE1-CG 3.72Å; F1346-R1523 HydrophobicContact CZ-CG 3.79Å
1347F88.5Confident78.9Confident14 Ų1455.2 Ų55.26%0.06127%0.272CS..  trans-92.7128.6-164.7-70.8-85.7000112.9L1336 V1342 R1343 W1391 I1393 L1425 L1429 L1522L1336-F1347 HydrophobicContact CD1-CB 4.3Å; L1336-F1347 HydrophobicContact CD1-CD1 3.98Å; L1336-F1347 HydrophobicContact CD1-CD2 3.67Å; L1336-F1347 HydrophobicContact CD1-CE1 4.21Å; L1336-F1347 HydrophobicContact CD1-CE2 3.93Å; L1336-F1347 HydrophobicContact CD1-CG 3.69Å; L1336-F1347 HydrophobicContact CD1-CZ 4.2Å; L1336-F1347 HydrophobicContact CD2-CD2 3.9Å; L1336-F1347 HydrophobicContact CD2-CE2 3.68Å; L1336-F1347 HydrophobicContact CD2-CZ 4.36Å; L1336-F1347 HydrophobicContact CG-CD2 4.47Å; L1336-F1347 HydrophobicContact CG-CE2 4.47Å; V1342-F1347 HydrophobicContact CG1-CD2 4.45Å; V1342-F1347 HydrophobicContact CG1-CE2 4.08Å; R1343-F1347 PolarHBondContact O-N 2.79Å; F1347-W1391 WeakPolarHBondContact CA-O 3.44Å; F1347-W1391 HydrophobicContact CD1-CB 4.45Å; F1347-W1391 AromaticContact CE1-CE3 3.8Å; F1347-W1391 HydrophobicContact CE1-CE3 3.8Å; F1347-W1391 HydrophobicContact CE1-CZ3 4.47Å; F1347-W1391 HydrophobicContact CE2-CE3 4.47Å; F1347-W1391 AromaticContact CZ-CE3 3.74Å; F1347-W1391 HydrophobicContact CZ-CE3 3.74Å; F1347-W1391 HydrophobicContact CZ-CZ3 4.08Å; F1347-I1393 HydrophobicContact CB-CD1 4.31Å; F1347-I1393 HydrophobicContact CD1-CD1 3.69Å; F1347-I1393 HydrophobicContact CD1-CG1 3.96Å; F1347-I1393 HydrophobicContact CE1-CD1 4.39Å; F1347-I1393 HydrophobicContact CG-CD1 4.23Å; F1347-L1425 HydrophobicContact CE1-CD2 4.45Å; F1347-L1429 HydrophobicContact CE1-CD1 4.33Å; F1347-L1429 HydrophobicContact CE2-CD2 4.42Å; F1347-L1429 HydrophobicContact CZ-CD1 3.83Å; F1347-L1429 HydrophobicContact CZ-CD2 4.04Å; F1347-L1522 HydrophobicContact CE2-CD1 3.75Å; F1347-L1522 HydrophobicContact CZ-CD1 4.11Å
1348I85.3Confident77.9Confident19 Ų1956.5 Ų56.510%0.09729%0.287CS..EExtended strand (participates in β ladder)trans-99.6104.6173-57.4178.1000107.6R1375 R1377 W1391 F1392 I1393I1348-R1375 HydrophobicContact CD1-CB 4.02Å; I1348-R1377 HydrophobicContact CG2-CG 4.45Å; I1348-W1391 PolarHBondContact N-O 3.18Å; I1348-F1392 HydrophobicContact CB-CD2 4.1Å; I1348-F1392 HydrophobicContact CG2-CD2 3.88Å; I1348-F1392 HydrophobicContact CG2-CE2 4.28Å; I1348-F1392 WeakPolarHBondContact O-CA 3.36Å; I1348-F1392 VanDerWaalsContact O-CD2 3.25Å; I1348-F1392 WeakPolarHBondContact O-CD2 3.47Å; I1348-I1393 PolarHBondContact O-N 3Å
1349I83.8Confident77.1Confident19 Ų1960.2 Ų60.210%0.09730%0.302CS..EExtended strand (participates in β ladder)trans-80.2125.2174.4-56.5174.7000108.6L1333L1333-I1349 HydrophobicContact CD2-CD1 3.8Å; L1333-I1349 HydrophobicContact CD2-CG1 4.13Å
1350G83.1Confident75.9Confident3 Ų362 Ų623%0.03131%0.31CS..  trans-76.1158.1174.500000113.2I1393G1350-I1393 PolarHBondContact N-O 3.16Å
1351Y79.4Confident74.8Confident85 Ų8561.7 Ų61.733%0.33331%0.306SS..  trans-107.9159.2-179.5-52.3-83.1000112.2P1211 V1213 F1353 E1354P1211-Y1351 HydrophobicContact CG-CE1 3.83Å; P1211-Y1351 WeakPolarHBondContact CG-OH 3.48Å; V1213-Y1351 HydrophobicContact CG2-CE1 4.44Å; Y1351-F1353 PolarHBondContact O-N 2.69Å; Y1351-E1354 WeakPolarHBondContact CD2-OE1 3.37Å; Y1351-E1354 WeakPolarHBondContact O-CB 3.48Å; Y1351-E1354 PolarHBondContact O-N 3.36Å
1352A75.1Confident73.6Confident32 Ų3264.5 Ų64.526%0.26432%0.318SS..THydrogen-bonded Turntrans-57.1129.4169.200000110.7L1252 E1354 I1397L1252-A1352 HydrophobicContact CD2-CB 4.01Å; A1352-E1354 PolarHBondContact O-N 2.99Å; A1352-I1397 HydrophobicContact CB-CD1 4.05Å
1353F73.5Confident72.2Confident121 Ų12169.4 Ų69.453%0.53134%0.344SS..THydrogen-bonded Turntrans55.729.6179.9-43.3-75.5000115Y1257 Y1351 K1355 I1397Y1257-F1353 HydrophobicContact CE2-CZ 4.35Å; Y1257-F1353 WeakPolarHBondContact OH-CE1 3.19Å; Y1257-F1353 VanDerWaalsContact OH-CZ 3.25Å; Y1257-F1353 WeakPolarHBondContact OH-CZ 3.25Å; Y1351-F1353 PolarHBondContact O-N 2.69Å; F1353-K1355 PolarHBondContact O-N 3.36Å; F1353-I1397 HydrophobicContact CE1-CG2 4.15Å; F1353-I1397 HydrophobicContact CE2-CD1 4.42Å; F1353-I1397 HydrophobicContact CZ-CD1 4.24Å
1354E74.1Confident70.7Confident38 Ų3876.1 Ų76.118%0.17838%0.375CS..  trans-59.1108.1175.5-177.1174.2-120.900111.2Y1351 A1352 K1356 R1377Y1351-E1354 WeakPolarHBondContact CD2-OE1 3.37Å; Y1351-E1354 WeakPolarHBondContact O-CB 3.48Å; Y1351-E1354 PolarHBondContact O-N 3.36Å; A1352-E1354 PolarHBondContact O-N 2.99Å; E1354-K1356 HydrophobicContact CG-CD 4.42Å; E1354-K1356 PolarHBondContact O-N 2.91Å; E1354-K1356 IonicContact OE2-NZ 2.94Å; E1354-K1356 PolarHBondContact OE2-NZ 3.49Å; E1354-R1377 WeakPolarHBondContact OE1-CD 3.47Å; E1354-R1377 IonicContact OE1-CZ 3.75Å; E1354-R1377 IonicContact OE1-NE 2.67Å; E1354-R1377 IonicContact OE1-NH1 3.59Å; E1354-R1377 PolarHBondContact OE1-NH1 3.38Å; E1354-R1377 IonicContact OE2-NH1 3.37Å
1355K70.6Confident69.1Low197 Ų19775.4 Ų75.486%0.85737%0.371SS*.  trans-68.2103.1174.5-69-170.9177.8-173.40109.6F1353F1353-K1355 PolarHBondContact O-N 3.36Å
1356K72.9Confident67.6Low42 Ų4281.3 Ų81.318%0.18340%0.399CS..  trans-63.2139.9170.5-45.3-59.2174.2166.90109.2E1354 E1360 R1377 R1378 E1398E1354-K1356 HydrophobicContact CG-CD 4.42Å; E1354-K1356 PolarHBondContact O-N 2.91Å; E1354-K1356 IonicContact OE2-NZ 2.94Å; E1354-K1356 PolarHBondContact OE2-NZ 3.49Å; K1356-E1360 VanDerWaalsContact CA-OE2 3.22Å; K1356-E1360 WeakPolarHBondContact CA-OE2 3.4Å; K1356-R1377 HydrophobicContact CD-CB 4.21Å; K1356-R1377 WeakPolarHBondContact CD-O 3.37Å; K1356-R1377 WeakPolarHBondContact CE-O 3.06Å; K1356-R1377 PolarHBondContact NZ-O 3.49Å; K1356-R1378 HydrophobicContact CD-CG 4.37Å; K1356-R1378 HydrophobicContact CG-CG 4.47Å; K1356-E1398 VanDerWaalsContact CE-CD 3.46Å; K1356-E1398 WeakPolarHBondContact CE-OE1 2.98Å; K1356-E1398 WeakPolarHBondContact CE-OE2 3.33Å; K1356-E1398 IonicContact NZ-OE1 3.8Å; K1356-E1398 PolarHBondContact NZ-OE1 3.01Å; K1356-E1398 IonicContact NZ-OE2 2.75Å; K1356-E1398 PolarHBondContact NZ-OE2 2.99Å
1357S65.9Low66.1Low54 Ų5482.9 Ų82.938%0.37841%0.409SS..  trans-83146.9-179-49.80000109.9E1359 E1360S1357-E1359 PolarHBondContact O-N 3.27Å; S1357-E1360 PolarHBondContact N-OE2 3.47Å; S1357-E1360 WeakPolarHBondContact O-CB 3.3Å; S1357-E1360 PolarHBondContact O-N 2.89Å
1358P61Low64.3Low108 Ų10886.4 Ų86.470%0.70143%0.428SS*.G310 helixtrans-62.9-22170.227.8-34.6000111.7E1360 D1361P1358-E1360 PolarHBondContact O-N 3.48Å; P1358-D1361 PolarHBondContact O-N 3.18Å
1359E56.6Low62.6Low143 Ų14389.8 Ų89.867%0.66844%0.442SS*.G310 helixtrans-66.6-17.4170.7-61175.7-175.100113.4S1357S1357-E1359 PolarHBondContact O-N 3.27Å
1360E56.8Low61.1Low38 Ų3897.8 Ų97.818%0.17848%0.477CS..G310 helixtrans-87.5-10.8173.4-62.6178.9112.300113.1K1356 S1357 P1358 L1362 R1377K1356-E1360 VanDerWaalsContact CA-OE2 3.22Å; K1356-E1360 WeakPolarHBondContact CA-OE2 3.4Å; S1357-E1360 PolarHBondContact N-OE2 3.47Å; S1357-E1360 WeakPolarHBondContact O-CB 3.3Å; S1357-E1360 PolarHBondContact O-N 2.89Å; P1358-E1360 PolarHBondContact O-N 3.48Å; E1360-L1362 VanDerWaalsContact C-N 3.34Å; E1360-R1377 WeakPolarHBondContact OE1-CB 3.24Å; E1360-R1377 VanDerWaalsContact OE1-CG 3.28Å; E1360-R1377 WeakPolarHBondContact OE1-CG 3.25Å; E1360-R1377 PolarHBondContact OE1-N 2.85Å
1361D56.1Low59.8Low54 Ų5499.9 Ų99.929%0.28949%0.491SS..G310 helixtrans-93.611.8169.9-74.8-55.7000111.9P1358 D1363 R1378P1358-D1361 PolarHBondContact O-N 3.18Å; D1361-D1363 PolarHBondContact O-N 3.24Å; D1361-R1378 VanDerWaalsContact CG-NH2 3.26Å; D1361-R1378 IonicContact OD1-CZ 3.62Å; D1361-R1378 IonicContact OD1-NH1 3.57Å; D1361-R1378 PolarHBondContact OD1-NH1 2.9Å; D1361-R1378 IonicContact OD1-NH2 3.73Å; D1361-R1378 PolarHBondContact OD1-NH2 2.84Å; D1361-R1378 IonicContact OD2-CZ 3.22Å; D1361-R1378 IonicContact OD2-NH1 2.76Å; D1361-R1378 PolarHBondContact OD2-NH1 3.45Å; D1361-R1378 IonicContact OD2-NH2 3.64Å; D1361-R1378 PolarHBondContact OD2-NH2 3.14Å
1362L54.2Low58.7Low120 Ų12096.7 Ų96.763%0.62848%0.479SS*.  trans-88.498.7173.7-68.4174.6000109.7E1360 K1364E1360-L1362 VanDerWaalsContact C-N 3.34Å; L1362-K1364 PolarHBondContact O-N 3.36Å
1363D51.7Low57.8Low103 Ų103104 Ų10455%0.55150%0.5SS*.THydrogen-bonded Turntrans-61.316.2-167.6-48.2-66.8000117.2D1361 Y1388D1361-D1363 PolarHBondContact O-N 3.24Å; D1363-Y1388 PolarHBondContact OD1-OH 2.89Å
1364K52.3Low57.3Low193 Ų193104 Ų10484%0.83951%0.506SS*.THydrogen-bonded Turntrans-137.726.3-168.5-61.2-169.4179.1-177.70115.4L1362 E1366L1362-K1364 PolarHBondContact O-N 3.36Å; K1364-E1366 PolarHBondContact O-N 2.94Å
1365Q48Very low57.2Low130 Ų130103 Ų10361%0.60750%0.5SS*.  trans-75.1100.7160-79.1-165.5300110.1T1367Q1365-T1367 PolarHBondContact O-N 2.92Å
1366E49.6Very low57.4Low191 Ų19194.5 Ų94.589%0.89347%0.465SS*.  trans-57.6101.8161.6-69.8-175162.800108.8K1364 D1368K1364-E1366 PolarHBondContact O-N 2.94Å; E1366-D1368 PolarHBondContact O-N 2.9Å
1367T50.1Low57.9Low36 Ų3695.9 Ų95.922%0.22147%0.469CS..  trans-74.1100.7-176.553.80000110.4Q1365 F1369Q1365-T1367 PolarHBondContact O-N 2.92Å; T1367-F1369 PolarHBondContact O-N 2.64Å
1368D50.6Low58.8Low88 Ų8895 Ų9547%0.47146%0.458SS..  trans-50.8118173.4178.1-1.8000109.3E1366 K1370 S1371E1366-D1368 PolarHBondContact O-N 2.9Å; D1368-K1370 PolarHBondContact O-N 3.5Å; D1368-K1370 PolarHBondContact OD1-N 2.94Å; D1368-S1371 PolarHBondContact O-N 2.76Å
1369F48.9Very low60Low90 Ų9090.1 Ų90.140%0.39543%0.426SS..THydrogen-bonded Turntrans-48.9-25.9-180-64.3-112.1000113T1367 Y1527 N1530 H1531T1367-F1369 PolarHBondContact O-N 2.64Å; F1369-Y1527 HydrophobicContact CD1-CD2 4.3Å; F1369-Y1527 HydrophobicContact CE1-CD2 4.13Å; F1369-Y1527 HydrophobicContact CE1-CG 4.49Å; F1369-N1530 HydrophobicContact CD1-CB 4.43Å; F1369-N1530 HydrophobicContact CE1-CB 3.43Å; F1369-N1530 VanDerWaalsContact CE1-CB 3.43Å; F1369-N1530 VanDerWaalsContact CE1-ND2 3.33Å; F1369-N1530 WeakPolarHBondContact CE1-ND2 3.46Å; F1369-N1530 HydrophobicContact CE2-CB 4.42Å; F1369-N1530 HydrophobicContact CZ-CB 3.42Å; F1369-N1530 VanDerWaalsContact CZ-CB 3.42Å; F1369-N1530 VanDerWaalsContact CZ-ND2 3.35Å; F1369-N1530 WeakPolarHBondContact CZ-ND2 3.43Å; F1369-H1531 AromaticContact CZ-CE1 4Å
1370K52.4Low61.5Low188 Ų18883.7 Ų83.782%0.81740%0.396SS*.THydrogen-bonded Turntrans-89.8-14.5-179.9-65157-171148.70113.9D1368D1368-K1370 PolarHBondContact O-N 3.5Å; D1368-K1370 PolarHBondContact OD1-N 2.94Å
1371S55.7Low62.9Low46 Ų4682.2 Ų82.232%0.32239%0.39SS..  trans-103.968-174.3178.80000111.9D1368 R1373D1368-S1371 PolarHBondContact O-N 2.76Å; S1371-R1373 PolarHBondContact O-N 3.14Å
1372L56.8Low64.1Low19 Ų1982 Ų8210%0.09939%0.393CS..THydrogen-bonded Turntrans-61.2-25.2-180-69.7171.7000114.2E1345 F1346 R1375E1345-L1372 HydrophobicContact CG-CD1 4.28Å; F1346-L1372 HydrophobicContact CD1-CD1 3.76Å; F1346-L1372 HydrophobicContact CD1-CD2 4.39Å; F1346-L1372 HydrophobicContact CE1-CD1 3.7Å; F1346-L1372 HydrophobicContact CE2-CD1 4.47Å; F1346-L1372 HydrophobicContact CG-CD1 4.19Å; F1346-L1372 HydrophobicContact CZ-CD1 4.06Å; L1372-R1375 WeakPolarHBondContact O-CD 3.37Å
1373R56.5Low65.5Low184 Ų18479.8 Ų79.869%0.69438%0.384SS*.THydrogen-bonded Turntrans-82.4-22.9-172.5-69.4-169.7167.3-153.4-11115.7E1344 S1371E1344-R1373 PolarHBondContact O-NH2 2.91Å; E1344-R1373 VanDerWaalsContact O-NH2 3.12Å; S1371-R1373 PolarHBondContact O-N 3.14Å
1374N61.8Low67Low123 Ų12375 Ų7566%0.65836%0.359SS*.SBendtrans-108.385.3179.5-68.85.1000108.5
1375R71.8Confident68.6Low16 Ų1670 Ų706%0.0635%0.345CS..  trans-138.2149.6-178.7-70.3-177.2159.8-121.1-10.4110.1I1348 L1372 N1389I1348-R1375 HydrophobicContact CD1-CB 4.02Å; L1372-R1375 WeakPolarHBondContact O-CD 3.37Å; R1375-N1389 WeakPolarHBondContact CB-ND2 3.43Å
1376P76.5Confident70.4Confident19 Ų1967.4 Ų67.412%0.12333%0.333CS..  trans-59.3138.8178.523.8-33.4000111.4R1378 N1389P1376-R1378 PolarHBondContact O-N 3.09Å; P1376-R1378 VanDerWaalsContact O-N 3.11Å; P1376-N1389 HydrophobicContact CG-CB 4.45Å; P1376-N1389 PolarHBondContact O-ND2 3.3Å
1377R82.7Confident72.3Confident70 Ų7059 Ų5926%0.26429%0.293SS..SBendtrans-86.545.9-177.6-64.1176.3163.3-84.9-20112.7I1348 E1354 K1356 E1360 F1392I1348-R1377 HydrophobicContact CG2-CG 4.45Å; E1354-R1377 WeakPolarHBondContact OE1-CD 3.47Å; E1354-R1377 IonicContact OE1-CZ 3.75Å; E1354-R1377 IonicContact OE1-NE 2.67Å; E1354-R1377 IonicContact OE1-NH1 3.59Å; E1354-R1377 PolarHBondContact OE1-NH1 3.38Å; E1354-R1377 IonicContact OE2-NH1 3.37Å; K1356-R1377 HydrophobicContact CD-CB 4.21Å; K1356-R1377 WeakPolarHBondContact CD-O 3.37Å; K1356-R1377 WeakPolarHBondContact CE-O 3.06Å; K1356-R1377 PolarHBondContact NZ-O 3.49Å; E1360-R1377 WeakPolarHBondContact OE1-CB 3.24Å; E1360-R1377 VanDerWaalsContact OE1-CG 3.28Å; E1360-R1377 WeakPolarHBondContact OE1-CG 3.25Å; E1360-R1377 PolarHBondContact OE1-N 2.85Å; R1377-F1392 HydrophobicContact CB-CD2 4.14Å; R1377-F1392 HydrophobicContact CB-CE2 3.86Å; R1377-F1392 HydrophobicContact CB-CZ 4.27Å; R1377-F1392 HydrophobicContact CG-CE2 4.37Å; R1377-F1392 WeakPolarHBondContact O-CE1 3.36Å; R1377-F1392 WeakPolarHBondContact O-CZ 3.38Å
1378R84Confident73.9Confident37 Ų3759 Ų5914%0.1429%0.289CS..  trans-146.3149.6173.1-59.1-171.7-164.8166.314.8110.2K1356 D1361 P1376 L1380 Y1388 N1389K1356-R1378 HydrophobicContact CD-CG 4.37Å; K1356-R1378 HydrophobicContact CG-CG 4.47Å; D1361-R1378 VanDerWaalsContact CG-NH2 3.26Å; D1361-R1378 IonicContact OD1-CZ 3.62Å; D1361-R1378 IonicContact OD1-NH1 3.57Å; D1361-R1378 PolarHBondContact OD1-NH1 2.9Å; D1361-R1378 IonicContact OD1-NH2 3.73Å; D1361-R1378 PolarHBondContact OD1-NH2 2.84Å; D1361-R1378 IonicContact OD2-CZ 3.22Å; D1361-R1378 IonicContact OD2-NH1 2.76Å; D1361-R1378 PolarHBondContact OD2-NH1 3.45Å; D1361-R1378 IonicContact OD2-NH2 3.64Å; D1361-R1378 PolarHBondContact OD2-NH2 3.14Å; P1376-R1378 PolarHBondContact O-N 3.09Å; P1376-R1378 VanDerWaalsContact O-N 3.11Å; R1378-L1380 WeakPolarHBondContact CB-O 3.17Å; R1378-Y1388 HydrophobicContact CB-CD2 4.34Å; R1378-N1389 WeakPolarHBondContact O-CB 3.29Å; R1378-N1389 PolarHBondContact O-N 3.47Å
1379V87.1Confident75.6Confident5 Ų554.9 Ų54.93%0.0327%0.267CS..SBendtrans-77.9-45.5176.3-174.30000111Y1388 N1389 F1392 P1394 M1418V1379-Y1388 PolarHBondContact O-N 3.14Å; V1379-N1389 WeakPolarHBondContact CA-O 3.23Å; V1379-N1389 PolarHBondContact O-N 3.4Å; V1379-F1392 HydrophobicContact CG2-CD1 4.11Å; V1379-F1392 WeakPolarHBondContact CG2-O 3.27Å; V1379-P1394 HydrophobicContact CG2-CG 4.47Å; V1379-M1418 HydrophobicContact CB-CE 4.4Å; V1379-M1418 HydrophobicContact CG2-CE 4.11Å
1380L88.8Confident77.5Confident8 Ų850.7 Ų50.74%0.04225%0.249CC..BIsolated β-bridgetrans-125.2162.2178-56.2178.8000110.1R1378 E1386 F1387 F1403 L1417 M1418 I1421 P1538R1378-L1380 WeakPolarHBondContact CB-O 3.17Å; L1380-E1386 CarbonylContact C-O 3.6Å; L1380-E1386 WeakPolarHBondContact CA-O 3.4Å; L1380-E1386 WeakPolarHBondContact CB-O 3.35Å; L1380-F1387 HydrophobicContact CD2-CB 3.96Å; L1380-F1387 HydrophobicContact CD2-CD2 4.25Å; L1380-F1403 HydrophobicContact CB-CZ 4.23Å; L1380-F1403 HydrophobicContact CD1-CZ 4.02Å; L1380-L1417 HydrophobicContact CD1-CB 4.45Å; L1380-M1418 HydrophobicContact CD1-CB 4.11Å; L1380-I1421 HydrophobicContact CD2-CD1 3.91Å; L1380-P1538 HydrophobicContact CD2-CB 4.25Å
1381S86.4Confident79.3Confident7 Ų741.8 Ų41.85%0.04921%0.21CC..  trans-47.5159.8162.250.70000113.2V1383 G1384 T1385 E1386S1381-V1383 PolarHBondContact O-N 2.78Å; S1381-G1384 PolarHBondContact O-N 3.23Å; S1381-G1384 PolarHBondContact OG-N 3.17Å; S1381-T1385 PolarHBondContact OG-N 3.38Å; S1381-E1386 WeakPolarHBondContact CB-O 3.45Å; S1381-E1386 PolarHBondContact N-O 3.23Å; S1381-E1386 PolarHBondContact OG-N 2.75Å; S1381-E1386 PolarHBondContact OG-O 3.29Å
1382S81.1Confident80.9Confident50 Ų5039.6 Ų39.635%0.3520%0.195SC..THydrogen-bonded Turntrans-57.4-34.5177.950.90000113.5H1405S1382-H1405 PolarHBondContact O-CE1 3.03Å; S1382-H1405 VanDerWaalsContact O-CE1 3.29Å; S1382-H1405 PolarHBondContact O-NE2 3.49Å
1383V82.2Confident82.4Confident72 Ų7238.7 Ų38.744%0.43619%0.19SC..THydrogen-bonded Turntrans-83-17.6177.5-164.90000112.4S1381 T1385 L1406S1381-V1383 PolarHBondContact O-N 2.78Å; V1383-T1385 VanDerWaalsContact C-N 3.3Å; V1383-T1385 HydrophobicContact CG1-CG2 4.07Å; V1383-T1385 PolarHBondContact O-N 3.29Å; V1383-L1406 HydrophobicContact CG1-CD2 4.27Å; V1383-L1406 WeakPolarHBondContact O-CD1 3.22Å
1384G84.2Confident84Confident2 Ų230 Ų302%0.02116%0.157CC..SBendtrans80.55.217900000115.2S1381 F1403S1381-G1384 PolarHBondContact O-N 3.23Å; S1381-G1384 PolarHBondContact OG-N 3.17Å; G1384-F1403 VanDerWaalsContact CA-CE1 3.43Å
1385T85.7Confident85.2Confident89 Ų8924.6 Ų24.655%0.54613%0.128SC..SBendtrans-83.1-36.8-179.447.60000113S1381 V1383 P1538S1381-T1385 PolarHBondContact OG-N 3.38Å; V1383-T1385 VanDerWaalsContact C-N 3.3Å; V1383-T1385 HydrophobicContact CG1-CG2 4.07Å; V1383-T1385 PolarHBondContact O-N 3.29Å; T1385-P1538 WeakPolarHBondContact O-CD 3.42Å; T1385-P1538 WeakPolarHBondContact O-CG 3.32Å
1386E86.4Confident85.9Confident76 Ų7623.9 Ų23.936%0.35513%0.125SC..SBendtrans-108.7147178.4-60.2-169.2-177.300112.3L1380 S1381 Y1388 T1536L1380-E1386 CarbonylContact C-O 3.6Å; L1380-E1386 WeakPolarHBondContact CA-O 3.4Å; L1380-E1386 WeakPolarHBondContact CB-O 3.35Å; S1381-E1386 WeakPolarHBondContact CB-O 3.45Å; S1381-E1386 PolarHBondContact N-O 3.23Å; S1381-E1386 PolarHBondContact OG-N 2.75Å; S1381-E1386 PolarHBondContact OG-O 3.29Å; E1386-Y1388 HydrophobicContact CB-CE1 4.5Å; E1386-T1536 CarbonylContact C-O 3.49Å; E1386-T1536 WeakPolarHBondContact CA-O 3.49Å
1387F87.9Confident86.3Confident15 Ų1523.2 Ų23.27%0.06612%0.121CC..BIsolated β-bridgetrans-92.7139.4175.8163.5-86.6000112.4L1380 L1390 I1421 I1529 T1536 P1538 I1541L1380-F1387 HydrophobicContact CD2-CB 3.96Å; L1380-F1387 HydrophobicContact CD2-CD2 4.25Å; F1387-L1390 HydrophobicContact CE2-CB 4.07Å; F1387-L1390 HydrophobicContact CZ-CB 3.85Å; F1387-L1390 VanDerWaalsContact CZ-N 3.27Å; F1387-I1421 HydrophobicContact CD2-CD1 4.31Å; F1387-I1529 HydrophobicContact CE1-CG2 4.14Å; F1387-T1536 PolarHBondContact N-O 2.93Å; F1387-P1538 HydrophobicContact CB-CB 4.44Å; F1387-I1541 HydrophobicContact CB-CD1 3.81Å; F1387-I1541 HydrophobicContact CD1-CD1 3.21Å; F1387-I1541 HydrophobicContact CD2-CD1 3.93Å; F1387-I1541 HydrophobicContact CE1-CD1 3.63Å; F1387-I1541 HydrophobicContact CE2-CD1 4.27Å; F1387-I1541 HydrophobicContact CG-CD1 3.37Å; F1387-I1541 HydrophobicContact CZ-CD1 4.12Å
1388Y84.6Confident86.5Confident36 Ų3621.9 Ų21.914%0.14112%0.118CC..  trans-119.3-42.6-178.5-71.2-10.8000114.3D1363 R1378 V1379 E1386D1363-Y1388 PolarHBondContact OD1-OH 2.89Å; R1378-Y1388 HydrophobicContact CB-CD2 4.34Å; V1379-Y1388 PolarHBondContact O-N 3.14Å; E1386-Y1388 HydrophobicContact CB-CE1 4.5Å
1389N86Confident86.7Confident1 Ų120.2 Ų20.21%0.00511%0.111CC..  trans-160119.9-175.2-168.67.3000114.7R1375 P1376 R1378 V1379 W1391 F1392R1375-N1389 WeakPolarHBondContact CB-ND2 3.43Å; P1376-N1389 HydrophobicContact CG-CB 4.45Å; P1376-N1389 PolarHBondContact O-ND2 3.3Å; R1378-N1389 WeakPolarHBondContact O-CB 3.29Å; R1378-N1389 PolarHBondContact O-N 3.47Å; V1379-N1389 WeakPolarHBondContact CA-O 3.23Å; V1379-N1389 PolarHBondContact O-N 3.4Å; N1389-W1391 PolarHBondContact OD1-N 3.26Å; N1389-W1391 VanDerWaalsContact OD1-N 3.17Å; N1389-F1392 HydrophobicContact CB-CB 4.32Å
1390L88.6Confident86.7Confident1 Ų120.1 Ų20.11%0.00511%0.111CC..THydrogen-bonded Turntrans-72.9-29.3177.6-174.261.2000113.3F1387 I1421 L1425 I1525 I1529 L1545F1387-L1390 HydrophobicContact CE2-CB 4.07Å; F1387-L1390 HydrophobicContact CZ-CB 3.85Å; F1387-L1390 VanDerWaalsContact CZ-N 3.27Å; L1390-I1421 HydrophobicContact CD1-CG2 3.58Å; L1390-L1425 HydrophobicContact CD1-CB 4.28Å; L1390-L1425 HydrophobicContact CD1-CD1 4.44Å; L1390-L1425 HydrophobicContact CD1-CD2 3.95Å; L1390-L1425 HydrophobicContact CD1-CG 4.45Å; L1390-L1425 HydrophobicContact CD2-CD1 4.33Å; L1390-L1425 HydrophobicContact CG-CD1 4.27Å; L1390-L1425 HydrophobicContact CG-CD2 4.18Å; L1390-I1525 HydrophobicContact CD2-CG2 3.93Å; L1390-I1529 HydrophobicContact CD2-CD1 3.74Å; L1390-L1545 HydrophobicContact CD1-CD1 3.97Å; L1390-L1545 HydrophobicContact CD2-CD1 4.24Å; L1390-L1545 HydrophobicContact CD2-CD2 4.26Å
1391W90.2Very high86.5Confident1 Ų122.1 Ų22.10%0.00412%0.119CC..THydrogen-bonded Turntrans-952.4-170-41.7110.8000113.6F1346 F1347 I1348 N1389 L1425 L1522 I1525 Q1526F1346-W1391 VanDerWaalsContact O-CB 3.29Å; F1346-W1391 WeakPolarHBondContact O-CB 3.14Å; F1347-W1391 WeakPolarHBondContact CA-O 3.44Å; F1347-W1391 HydrophobicContact CD1-CB 4.45Å; F1347-W1391 AromaticContact CE1-CE3 3.8Å; F1347-W1391 HydrophobicContact CE1-CE3 3.8Å; F1347-W1391 HydrophobicContact CE1-CZ3 4.47Å; F1347-W1391 HydrophobicContact CE2-CE3 4.47Å; F1347-W1391 AromaticContact CZ-CE3 3.74Å; F1347-W1391 HydrophobicContact CZ-CE3 3.74Å; F1347-W1391 HydrophobicContact CZ-CZ3 4.08Å; I1348-W1391 PolarHBondContact N-O 3.18Å; N1389-W1391 PolarHBondContact OD1-N 3.26Å; N1389-W1391 VanDerWaalsContact OD1-N 3.17Å; W1391-L1425 HydrophobicContact CZ3-CD1 3.88Å; W1391-L1522 HydrophobicContact CE3-CD1 4.48Å; W1391-L1522 HydrophobicContact CH2-CB 3.85Å; W1391-L1522 HydrophobicContact CH2-CD1 4.45Å; W1391-L1522 HydrophobicContact CH2-CD2 3.84Å; W1391-L1522 HydrophobicContact CH2-CG 4.23Å; W1391-L1522 HydrophobicContact CZ2-CB 4.37Å; W1391-L1522 WeakPolarHBondContact CZ2-O 3.44Å; W1391-L1522 HydrophobicContact CZ3-CB 4.22Å; W1391-L1522 HydrophobicContact CZ3-CD1 3.97Å; W1391-L1522 HydrophobicContact CZ3-CD2 3.81Å; W1391-L1522 HydrophobicContact CZ3-CG 4.19Å; W1391-I1525 HydrophobicContact CH2-CB 4.24Å; W1391-I1525 HydrophobicContact CH2-CG2 4Å; W1391-I1525 HydrophobicContact CZ2-CB 4.42Å; W1391-I1525 HydrophobicContact CZ2-CG2 4.16Å; W1391-Q1526 HydrophobicContact CZ2-CB 4.21Å
1392F89.5Confident86.5Confident0 Ų023.6 Ų23.60%013%0.128CC..EExtended strand (participates in β ladder)trans-82.4117.5170.4-179.3-110.3000109.9I1348 R1377 V1379 N1389 P1394 E1398I1348-F1392 HydrophobicContact CB-CD2 4.1Å; I1348-F1392 HydrophobicContact CG2-CD2 3.88Å; I1348-F1392 HydrophobicContact CG2-CE2 4.28Å; I1348-F1392 WeakPolarHBondContact O-CA 3.36Å; I1348-F1392 VanDerWaalsContact O-CD2 3.25Å; I1348-F1392 WeakPolarHBondContact O-CD2 3.47Å; R1377-F1392 HydrophobicContact CB-CD2 4.14Å; R1377-F1392 HydrophobicContact CB-CE2 3.86Å; R1377-F1392 HydrophobicContact CB-CZ 4.27Å; R1377-F1392 HydrophobicContact CG-CE2 4.37Å; R1377-F1392 WeakPolarHBondContact O-CE1 3.36Å; R1377-F1392 WeakPolarHBondContact O-CZ 3.38Å; V1379-F1392 HydrophobicContact CG2-CD1 4.11Å; V1379-F1392 WeakPolarHBondContact CG2-O 3.27Å; N1389-F1392 HydrophobicContact CB-CB 4.32Å; F1392-P1394 HydrophobicContact CD1-CB 4.4Å; F1392-P1394 HydrophobicContact CE1-CB 3.8Å; F1392-P1394 WeakPolarHBondContact O-CD 3.24Å; F1392-E1398 WeakPolarHBondContact CE1-OE2 3.31Å; F1392-E1398 WeakPolarHBondContact CZ-OE2 3.44Å
1393I89.5Confident86.9Confident1 Ų121.4 Ų21.41%0.00511%0.112CC..EExtended strand (participates in β ladder)trans-94.4106.2171.2-63.3174.4000107.1Y1329 I1332 L1333 L1336 F1347 I1348 G1350Y1329-I1393 HydrophobicContact CD1-CB 4.41Å; Y1329-I1393 HydrophobicContact CD1-CG1 4.22Å; Y1329-I1393 HydrophobicContact CD1-CG2 3.89Å; Y1329-I1393 HydrophobicContact CE1-CG1 4.47Å; Y1329-I1393 HydrophobicContact CG-CG2 4.24Å; I1332-I1393 HydrophobicContact CG2-CD1 3.82Å; L1333-I1393 HydrophobicContact CD1-CG2 4.22Å; L1333-I1393 HydrophobicContact CD2-CD1 3.92Å; L1333-I1393 HydrophobicContact CD2-CG2 4.21Å; L1333-I1393 HydrophobicContact CG-CD1 4.43Å; L1333-I1393 HydrophobicContact CG-CG2 4.19Å; L1336-I1393 HydrophobicContact CD1-CD1 3.72Å; F1347-I1393 HydrophobicContact CB-CD1 4.31Å; F1347-I1393 HydrophobicContact CD1-CD1 3.69Å; F1347-I1393 HydrophobicContact CD1-CG1 3.96Å; F1347-I1393 HydrophobicContact CE1-CD1 4.39Å; F1347-I1393 HydrophobicContact CG-CD1 4.23Å; I1348-I1393 PolarHBondContact O-N 3Å; G1350-I1393 PolarHBondContact N-O 3.16Å
1394P89.8Confident86.8Confident1 Ų121.4 Ų21.41%0.00610%0.104CC..  trans-64.6145.9178.827.9-34.8000110.7Y1329 V1379 F1392 E1398 V1399 M1418Y1329-P1394 HydrophobicContact CD2-CG 3.92Å; Y1329-P1394 HydrophobicContact CE2-CG 3.7Å; V1379-P1394 HydrophobicContact CG2-CG 4.47Å; F1392-P1394 HydrophobicContact CD1-CB 4.4Å; F1392-P1394 HydrophobicContact CE1-CB 3.8Å; F1392-P1394 WeakPolarHBondContact O-CD 3.24Å; P1394-E1398 HydrophobicContact CB-CB 4.24Å; P1394-E1398 HydrophobicContact CB-CG 4.4Å; P1394-V1399 HydrophobicContact CB-CG2 4.07Å; P1394-V1399 HydrophobicContact CG-CG2 3.8Å; P1394-M1418 HydrophobicContact CG-CE 3.82Å
1395H86.4Confident86.7Confident10 Ų1027.4 Ų27.45%0.04613%0.131CC..  trans-66143.9167.1-167.6-99.8000108.9Y1206 I1397 E1398 V1399Y1206-H1395 WeakPolarHBondContact CB-NE2 3.42Å; Y1206-H1395 AromaticContact CD1-CD2 3.87Å; H1395-I1397 PolarHBondContact O-N 3.3Å; H1395-E1398 WeakPolarHBondContact O-CA 3.4Å; H1395-E1398 WeakPolarHBondContact O-CB 3.13Å; H1395-E1398 PolarHBondContact O-N 3.37Å; H1395-V1399 PolarHBondContact O-N 3.11Å
1396F86.5Confident86.7Confident0 Ų024.3 Ų24.30%011%0.112CC..Hα-helixtrans-55.8-34.1-175.377.2-82.4000113.6P1203 Y1206 Y1257 I1326 E1398 V1399 L1400P1203-F1396 HydrophobicContact CB-CZ 4.42Å; P1203-F1396 HydrophobicContact CG-CZ 4.03Å; Y1206-F1396 HydrophobicContact CD1-CD1 4.38Å; Y1206-F1396 HydrophobicContact CD2-CB 4.12Å; Y1206-F1396 AromaticContact CD2-CD1 3.43Å; Y1206-F1396 HydrophobicContact CD2-CD1 3.43Å; Y1206-F1396 VanDerWaalsContact CD2-CD1 3.43Å; Y1206-F1396 HydrophobicContact CD2-CE1 4.23Å; Y1206-F1396 HydrophobicContact CD2-CG 4.1Å; Y1206-F1396 HydrophobicContact CE1-CB 4.42Å; Y1206-F1396 HydrophobicContact CE2-CB 3.76Å; Y1206-F1396 AromaticContact CE2-CD1 3.98Å; Y1206-F1396 HydrophobicContact CE2-CD1 3.98Å; Y1206-F1396 HydrophobicContact CE2-CG 4.2Å; Y1206-F1396 AromaticContact CG-CD1 3.71Å; Y1206-F1396 HydrophobicContact CG-CD1 3.71Å; Y1206-F1396 HydrophobicContact CG-CE1 4.44Å; Y1257-F1396 AromaticContact CD1-CE2 3.96Å; Y1257-F1396 HydrophobicContact CD1-CE2 3.96Å; Y1257-F1396 HydrophobicContact CD1-CZ 4.43Å; Y1257-F1396 HydrophobicContact CD2-CZ 4.5Å; Y1257-F1396 AromaticContact CG-CE2 3.9Å; Y1257-F1396 HydrophobicContact CG-CE2 3.9Å; Y1257-F1396 HydrophobicContact CG-CZ 4.03Å; I1326-F1396 HydrophobicContact CB-CB 4.44Å; I1326-F1396 HydrophobicContact CD1-CB 4.09Å; I1326-F1396 HydrophobicContact CG1-CB 3.94Å; I1326-F1396 HydrophobicContact CG2-CB 3.65Å; F1396-E1398 VanDerWaalsContact C-N 3.25Å; F1396-E1398 PolarHBondContact O-N 3.25Å; F1396-V1399 WeakPolarHBondContact O-CA 3.35Å; F1396-V1399 WeakPolarHBondContact O-CB 3.4Å; F1396-V1399 PolarHBondContact O-N 3.21Å; F1396-L1400 HydrophobicContact CD2-CD1 4.06Å; F1396-L1400 HydrophobicContact CE2-CD1 4.14Å; F1396-L1400 WeakPolarHBondContact O-CG 3.5Å; F1396-L1400 PolarHBondContact O-N 3.35Å
1397I85.9Confident86.6Confident5 Ų524.7 Ų24.73%0.02612%0.116CC..Hα-helixtrans-59-34.4174.5-59.7177.3000112Y1257 A1352 F1353 H1395 L1400 F1401Y1257-I1397 HydrophobicContact CD1-CD1 4.48Å; Y1257-I1397 HydrophobicContact CD1-CG1 4.09Å; Y1257-I1397 HydrophobicContact CD2-CD1 4.18Å; Y1257-I1397 HydrophobicContact CE1-CD1 4.08Å; Y1257-I1397 HydrophobicContact CE1-CG1 3.85Å; Y1257-I1397 HydrophobicContact CE1-CG2 4.06Å; Y1257-I1397 HydrophobicContact CE2-CD1 3.77Å; Y1257-I1397 HydrophobicContact CE2-CG1 4.4Å; Y1257-I1397 HydrophobicContact CG-CG1 4.47Å; A1352-I1397 HydrophobicContact CB-CD1 4.05Å; F1353-I1397 HydrophobicContact CE1-CG2 4.15Å; F1353-I1397 HydrophobicContact CE2-CD1 4.42Å; F1353-I1397 HydrophobicContact CZ-CD1 4.24Å; H1395-I1397 PolarHBondContact O-N 3.3Å; I1397-L1400 PolarHBondContact O-N 2.99Å; I1397-F1401 HydrophobicContact CG2-CD2 3.87Å; I1397-F1401 HydrophobicContact CG2-CE2 3.45Å; I1397-F1401 VanDerWaalsContact CG2-CE2 3.45Å; I1397-F1401 HydrophobicContact CG2-CZ 4.42Å; I1397-F1401 WeakPolarHBondContact O-CD2 3.41Å; I1397-F1401 PolarHBondContact O-N 2.9Å
1398E85.6Confident86.5Confident43 Ų4325.8 Ų25.820%0.20112%0.123CC..Hα-helixtrans-66.2-41.6174.5-170.2174.6167.800110.6K1356 F1392 P1394 H1395 F1396 L1400 F1401 V1402K1356-E1398 VanDerWaalsContact CE-CD 3.46Å; K1356-E1398 WeakPolarHBondContact CE-OE1 2.98Å; K1356-E1398 WeakPolarHBondContact CE-OE2 3.33Å; K1356-E1398 IonicContact NZ-OE1 3.8Å; K1356-E1398 PolarHBondContact NZ-OE1 3.01Å; K1356-E1398 IonicContact NZ-OE2 2.75Å; K1356-E1398 PolarHBondContact NZ-OE2 2.99Å; F1392-E1398 WeakPolarHBondContact CE1-OE2 3.31Å; F1392-E1398 WeakPolarHBondContact CZ-OE2 3.44Å; P1394-E1398 HydrophobicContact CB-CB 4.24Å; P1394-E1398 HydrophobicContact CB-CG 4.4Å; H1395-E1398 WeakPolarHBondContact O-CA 3.4Å; H1395-E1398 WeakPolarHBondContact O-CB 3.13Å; H1395-E1398 PolarHBondContact O-N 3.37Å; F1396-E1398 VanDerWaalsContact C-N 3.25Å; F1396-E1398 PolarHBondContact O-N 3.25Å; E1398-L1400 VanDerWaalsContact C-N 3.3Å; E1398-L1400 PolarHBondContact O-N 2.95Å; E1398-F1401 PolarHBondContact O-N 3.42Å; E1398-F1401 VanDerWaalsContact O-N 3.16Å; E1398-V1402 WeakPolarHBondContact O-CB 3.39Å; E1398-V1402 PolarHBondContact O-N 3.27Å
1399V89.5Confident86.6Confident1 Ų130.7 Ų30.71%0.00615%0.147CC..Hα-helixtrans-65.1-31.3175.8-173.10000112.2R1322 I1325 I1326 P1394 H1395 F1396 F1401 M1418R1322-V1399 HydrophobicContact CB-CG1 4.34Å; R1322-V1399 VanDerWaalsContact CD-O 3.26Å; R1322-V1399 WeakPolarHBondContact CD-O 3.31Å; R1322-V1399 HydrophobicContact CG-CG1 4.27Å; R1322-V1399 WeakPolarHBondContact CG-O 3.43Å; R1322-V1399 PolarHBondContact NE-O 3.43Å; R1322-V1399 VanDerWaalsContact NE-O 3.15Å; I1325-V1399 HydrophobicContact CB-CG1 3.93Å; I1325-V1399 HydrophobicContact CD1-CG1 4.43Å; I1325-V1399 HydrophobicContact CG2-CG1 3.62Å; I1325-V1399 HydrophobicContact CG2-CG2 4.03Å; I1326-V1399 HydrophobicContact CD1-CB 4.29Å; I1326-V1399 HydrophobicContact CD1-CG1 4.33Å; I1326-V1399 HydrophobicContact CG1-CB 3.86Å; I1326-V1399 HydrophobicContact CG1-CG1 3.87Å; I1326-V1399 HydrophobicContact CG1-CG2 4.32Å; P1394-V1399 HydrophobicContact CB-CG2 4.07Å; P1394-V1399 HydrophobicContact CG-CG2 3.8Å; H1395-V1399 PolarHBondContact O-N 3.11Å; F1396-V1399 WeakPolarHBondContact O-CA 3.35Å; F1396-V1399 WeakPolarHBondContact O-CB 3.4Å; F1396-V1399 PolarHBondContact O-N 3.21Å; V1399-F1401 VanDerWaalsContact C-N 3.3Å; V1399-F1401 PolarHBondContact O-N 3.4Å; V1399-M1418 HydrophobicContact CG2-CE 4.37Å
1400L86.6Confident86.7Confident4 Ų432 Ų322%0.02116%0.158CC..Hα-helixtrans-65.6-30.7174.2-65.4178.1000113.1L1197 Y1257 A1260 I1326 F1396 I1397 E1398L1197-L1400 HydrophobicContact CD1-CD2 3.69Å; L1197-L1400 HydrophobicContact CD2-CD2 4.36Å; L1197-L1400 HydrophobicContact CG-CD2 4.13Å; Y1257-L1400 HydrophobicContact CD1-CD1 3.64Å; Y1257-L1400 HydrophobicContact CE1-CD1 4.08Å; A1260-L1400 HydrophobicContact CB-CD1 4.02Å; A1260-L1400 HydrophobicContact CB-CD2 4.35Å; I1326-L1400 HydrophobicContact CD1-CD2 3.94Å; I1326-L1400 HydrophobicContact CD1-CG 4.34Å; F1396-L1400 HydrophobicContact CD2-CD1 4.06Å; F1396-L1400 HydrophobicContact CE2-CD1 4.14Å; F1396-L1400 WeakPolarHBondContact O-CG 3.5Å; F1396-L1400 PolarHBondContact O-N 3.35Å; I1397-L1400 PolarHBondContact O-N 2.99Å; E1398-L1400 VanDerWaalsContact C-N 3.3Å; E1398-L1400 PolarHBondContact O-N 2.95Å
1401F85.1Confident86.8Confident50 Ų5032.2 Ų32.222%0.21916%0.159CC..Hα-helixtrans-107.6-20.9-173.9-58.9-44.2000114.9Y1123 Y1257 E1259 I1397 E1398 V1399 R1404Y1123-F1401 HydrophobicContact CD1-CD1 4.29Å; Y1123-F1401 AromaticContact CD1-CE1 3.6Å; Y1123-F1401 HydrophobicContact CD1-CE1 3.6Å; Y1123-F1401 AromaticContact CD1-CZ 3.99Å; Y1123-F1401 HydrophobicContact CD1-CZ 3.99Å; Y1123-F1401 AromaticContact CE1-CD1 3.79Å; Y1123-F1401 HydrophobicContact CE1-CD1 3.79Å; Y1123-F1401 AromaticContact CE1-CE1 3.46Å; Y1123-F1401 HydrophobicContact CE1-CE1 3.46Å; Y1123-F1401 VanDerWaalsContact CE1-CE1 3.46Å; Y1123-F1401 HydrophobicContact CE1-CE2 4.41Å; Y1123-F1401 HydrophobicContact CE1-CG 4.42Å; Y1123-F1401 AromaticContact CE1-CZ 3.81Å; Y1123-F1401 HydrophobicContact CE1-CZ 3.81Å; Y1257-F1401 HydrophobicContact CE1-CZ 4.48Å; E1259-F1401 HydrophobicContact CB-CE1 4.07Å; E1259-F1401 HydrophobicContact CB-CZ 3.94Å; E1259-F1401 HydrophobicContact CG-CE1 4.36Å; E1259-F1401 HydrophobicContact CG-CZ 4.09Å; I1397-F1401 HydrophobicContact CG2-CD2 3.87Å; I1397-F1401 HydrophobicContact CG2-CE2 3.45Å; I1397-F1401 VanDerWaalsContact CG2-CE2 3.45Å; I1397-F1401 HydrophobicContact CG2-CZ 4.42Å; I1397-F1401 WeakPolarHBondContact O-CD2 3.41Å; I1397-F1401 PolarHBondContact O-N 2.9Å; E1398-F1401 PolarHBondContact O-N 3.42Å; E1398-F1401 VanDerWaalsContact O-N 3.16Å; V1399-F1401 VanDerWaalsContact C-N 3.3Å; V1399-F1401 PolarHBondContact O-N 3.4Å; F1401-R1404 WeakPolarHBondContact O-CB 3.11Å; F1401-R1404 PolarHBondContact O-N 2.95Å
1402V85.6Confident86.8Confident38 Ų3832.5 Ų32.523%0.2316%0.161CC..THydrogen-bonded Turntrans-57.6144.8179.675.40000111.8R1322 E1398 R1404 L1415 M1418R1322-V1402 PolarHBondContact NH2-O 2.96Å; E1398-V1402 WeakPolarHBondContact O-CB 3.39Å; E1398-V1402 PolarHBondContact O-N 3.27Å; V1402-R1404 PolarHBondContact O-N 3.39Å; V1402-L1415 HydrophobicContact CG1-CD2 4.38Å; V1402-M1418 HydrophobicContact CG1-SD 4.36Å
1403F88.5Confident86.9Confident3 Ų338 Ų381%0.01319%0.187CC..THydrogen-bonded Turntrans59-0.3-179.1-48.1-51.1000117.5L1380 G1384 H1405 L1406 C1411 A1414 L1415 M1418L1380-F1403 HydrophobicContact CB-CZ 4.23Å; L1380-F1403 HydrophobicContact CD1-CZ 4.02Å; G1384-F1403 VanDerWaalsContact CA-CE1 3.43Å; F1403-H1405 PolarHBondContact O-N 3.5Å; F1403-L1406 HydrophobicContact CB-CD1 3.97Å; F1403-L1406 HydrophobicContact CB-CG 4.47Å; F1403-L1406 HydrophobicContact CD1-CD1 4.06Å; F1403-L1406 HydrophobicContact CG-CD1 4.34Å; F1403-L1406 WeakPolarHBondContact O-CB 3.41Å; F1403-L1406 PolarHBondContact O-N 3.46Å; F1403-C1411 HydrophobicContact CB-CB 4.49Å; F1403-A1414 HydrophobicContact CB-CB 4.46Å; F1403-A1414 HydrophobicContact CD1-CB 3.83Å; F1403-A1414 HydrophobicContact CD2-CB 3.62Å; F1403-A1414 HydrophobicContact CE1-CB 3.97Å; F1403-A1414 HydrophobicContact CE2-CB 3.74Å; F1403-A1414 HydrophobicContact CG-CB 3.68Å; F1403-A1414 HydrophobicContact CZ-CB 3.93Å; F1403-L1415 HydrophobicContact CD2-CD2 3.95Å; F1403-L1415 HydrophobicContact CD2-CG 4.08Å; F1403-M1418 HydrophobicContact CE2-SD 4.07Å
1404R81.9Confident87Confident73 Ų7338 Ų3828%0.27519%0.187SC..THydrogen-bonded Turntrans-64.3-10.1-176-163.7169.7-173.9146.1-3.9114.8P1121 I1122 F1401 V1402P1121-R1404 PolarHBondContact O-NH2 3.1Å; I1122-R1404 HydrophobicContact CG2-CG 4.48Å; I1122-R1404 PolarHBondContact O-NE 2.73Å; I1122-R1404 VanDerWaalsContact O-NE 3.07Å; I1122-R1404 PolarHBondContact O-NH1 3.11Å; I1122-R1404 PolarHBondContact O-NH2 2.7Å; F1401-R1404 WeakPolarHBondContact O-CB 3.11Å; F1401-R1404 PolarHBondContact O-N 2.95Å; V1402-R1404 PolarHBondContact O-N 3.39Å
1405H81.3Confident87.2Confident127 Ų12738 Ų3859%0.58819%0.187SC*.THydrogen-bonded Turntrans-90.1-12.3176.363.3-92.2000114.1S1382 F1403S1382-H1405 PolarHBondContact O-CE1 3.03Å; S1382-H1405 VanDerWaalsContact O-CE1 3.29Å; S1382-H1405 PolarHBondContact O-NE2 3.49Å; F1403-H1405 PolarHBondContact O-N 3.5Å
1406L86.1Confident87.6Confident25 Ų2540.2 Ų40.213%0.13120%0.195CC..SBendtrans-76.2179-179.4-57.6-179.5000112.3K1119 V1383 F1403 A1410 C1411K1119-L1406 PolarHBondContact NZ-O 2.71Å; V1383-L1406 HydrophobicContact CG1-CD2 4.27Å; V1383-L1406 WeakPolarHBondContact O-CD1 3.22Å; F1403-L1406 HydrophobicContact CB-CD1 3.97Å; F1403-L1406 HydrophobicContact CB-CG 4.47Å; F1403-L1406 HydrophobicContact CD1-CD1 4.06Å; F1403-L1406 HydrophobicContact CG-CD1 4.34Å; F1403-L1406 WeakPolarHBondContact O-CB 3.41Å; F1403-L1406 PolarHBondContact O-N 3.46Å; L1406-A1410 HydrophobicContact CD1-CB 4.26Å; L1406-C1411 HydrophobicContact CB-CB 4.26Å
1407N84.8Confident87.9Confident83 Ų8340.7 Ų40.744%0.44420%0.197SC..  trans-73.2162.2160.269.6-21.1000110.2E1409 A1410 C1411N1407-E1409 VanDerWaalsContact C-N 3.31Å; N1407-E1409 PolarHBondContact O-N 3.32Å; N1407-A1410 PolarHBondContact O-N 3.45Å; N1407-A1410 WeakPolarHBondContact OD1-CB 3.43Å; N1407-A1410 PolarHBondContact OD1-N 2.83Å; N1407-A1410 VanDerWaalsContact OD1-N 3.13Å; N1407-C1411 WeakPolarHBondContact O-CB 3.33Å; N1407-C1411 PolarHBondContact O-N 3.13Å
1408D84.2Confident88.3Confident39 Ų3940.9 Ų40.921%0.20920%0.199CC..Hα-helixtrans-66.7-31.9-172.5-65.4-87.3000113.1R1315 H1318 T1412R1315-D1408 WeakPolarHBondContact CD-OD1 3.15Å; R1315-D1408 IonicContact CZ-OD1 3.5Å; R1315-D1408 IonicContact NE-OD1 2.87Å; R1315-D1408 IonicContact NH1-OD1 2.62Å; R1315-D1408 PolarHBondContact NH1-OD1 3.03Å; H1318-D1408 IonicContact CE1-OD1 3.67Å; H1318-D1408 PolarHBondContact CE1-OD1 3.15Å; H1318-D1408 VanDerWaalsContact CE1-OD1 3.23Å; H1318-D1408 PolarHBondContact NE2-O 3.48Å; H1318-D1408 IonicContact NE2-OD1 3.44Å; D1408-T1412 WeakPolarHBondContact O-CB 3.45Å; D1408-T1412 PolarHBondContact O-N 2.96Å; D1408-T1412 PolarHBondContact O-OG1 3.06Å
1409E86.5Confident88.7Confident139 Ų13939 Ų3965%0.6519%0.19SC*.Hα-helixtrans-63.4-57.9173.9-173.5178.3-159.300112.2N1407 C1411 T1412 Q1413N1407-E1409 VanDerWaalsContact C-N 3.31Å; N1407-E1409 PolarHBondContact O-N 3.32Å; E1409-C1411 VanDerWaalsContact C-N 3.32Å; E1409-C1411 PolarHBondContact O-N 3.24Å; E1409-T1412 WeakPolarHBondContact O-CA 3.42Å; E1409-T1412 WeakPolarHBondContact O-CB 3.45Å; E1409-T1412 PolarHBondContact O-N 2.91Å; E1409-Q1413 PolarHBondContact O-N 3.05Å
1410A88.3Confident88.9Confident29 Ų2942.5 Ų42.524%0.2420%0.203CC..Hα-helixtrans-68.3-31.1-179.600000112.2L1406 N1407 T1412 Q1413 A1414L1406-A1410 HydrophobicContact CD1-CB 4.26Å; N1407-A1410 PolarHBondContact O-N 3.45Å; N1407-A1410 WeakPolarHBondContact OD1-CB 3.43Å; N1407-A1410 PolarHBondContact OD1-N 2.83Å; N1407-A1410 VanDerWaalsContact OD1-N 3.13Å; A1410-T1412 VanDerWaalsContact C-N 3.34Å; A1410-Q1413 PolarHBondContact O-N 2.64Å; A1410-A1414 VanDerWaalsContact O-CB 3.25Å; A1410-A1414 WeakPolarHBondContact O-CB 3.4Å; A1410-A1414 PolarHBondContact O-N 3.44Å
1411C90.4Very high89.2Confident4 Ų442.3 Ų42.33%0.02720%0.202CC..Hα-helixtrans-60.6-43.6169.1-1800000111.2H1318 F1403 L1406 N1407 E1409 L1415H1318-C1411 PolarHBondContact CE1-SG 3.27Å; H1318-C1411 PolarHBondContact ND1-SG 3.4Å; H1318-C1411 VanDerWaalsContact ND1-SG 3.41Å; F1403-C1411 HydrophobicContact CB-CB 4.49Å; L1406-C1411 HydrophobicContact CB-CB 4.26Å; N1407-C1411 WeakPolarHBondContact O-CB 3.33Å; N1407-C1411 PolarHBondContact O-N 3.13Å; E1409-C1411 VanDerWaalsContact C-N 3.32Å; E1409-C1411 PolarHBondContact O-N 3.24Å; C1411-L1415 VanDerWaalsContact O-CB 3.31Å; C1411-L1415 WeakPolarHBondContact O-CB 3.29Å; C1411-L1415 WeakPolarHBondContact O-CD1 3.48Å; C1411-L1415 WeakPolarHBondContact O-CG 3.32Å; C1411-L1415 PolarHBondContact O-N 2.88Å
1412T90.8Very high89.5Confident8 Ų839.9 Ų39.95%0.04919%0.192CC..Hα-helixtrans-64.6-42.2175.3-48.90000111.2Q1317 H1318 L1321 D1408 E1409 A1410 R1416Q1317-T1412 HydrophobicContact CB-CG2 4.48Å; H1318-T1412 PolarHBondContact CD2-OG1 2.99Å; H1318-T1412 VanDerWaalsContact CD2-OG1 3.23Å; H1318-T1412 PolarHBondContact NE2-OG1 3.21Å; L1321-T1412 HydrophobicContact CD1-CG2 4.1Å; D1408-T1412 WeakPolarHBondContact O-CB 3.45Å; D1408-T1412 PolarHBondContact O-N 2.96Å; D1408-T1412 PolarHBondContact O-OG1 3.06Å; E1409-T1412 WeakPolarHBondContact O-CA 3.42Å; E1409-T1412 WeakPolarHBondContact O-CB 3.45Å; E1409-T1412 PolarHBondContact O-N 2.91Å; A1410-T1412 VanDerWaalsContact C-N 3.34Å; T1412-R1416 WeakPolarHBondContact O-CB 3.45Å; T1412-R1416 PolarHBondContact O-N 3.47Å
1413Q91.6Very high89.8Confident115 Ų11538.4 Ų38.454%0.53718%0.182SC..Hα-helixtrans-64.3-50.6178.1-170.21765.300112E1409 A1410 L1415 R1416 L1417E1409-Q1413 PolarHBondContact O-N 3.05Å; A1410-Q1413 PolarHBondContact O-N 2.64Å; Q1413-L1415 PolarHBondContact O-N 3.17Å; Q1413-R1416 WeakPolarHBondContact O-CB 3.49Å; Q1413-R1416 PolarHBondContact O-N 3.09Å; Q1413-R1416 VanDerWaalsContact O-N 3.1Å; Q1413-L1417 HydrophobicContact CG-CD1 4.31Å; Q1413-L1417 VanDerWaalsContact O-CG 3.31Å; Q1413-L1417 WeakPolarHBondContact O-CG 3.35Å; Q1413-L1417 PolarHBondContact O-N 2.94Å
1414A92.1Very high90Very high2 Ų238.3 Ų38.32%0.01718%0.181CC..Hα-helixtrans-60.2-42178.500000112.4F1403 A1410 L1417 M1418F1403-A1414 HydrophobicContact CB-CB 4.46Å; F1403-A1414 HydrophobicContact CD1-CB 3.83Å; F1403-A1414 HydrophobicContact CD2-CB 3.62Å; F1403-A1414 HydrophobicContact CE1-CB 3.97Å; F1403-A1414 HydrophobicContact CE2-CB 3.74Å; F1403-A1414 HydrophobicContact CG-CB 3.68Å; F1403-A1414 HydrophobicContact CZ-CB 3.93Å; A1410-A1414 VanDerWaalsContact O-CB 3.25Å; A1410-A1414 WeakPolarHBondContact O-CB 3.4Å; A1410-A1414 PolarHBondContact O-N 3.44Å; A1414-L1417 PolarHBondContact O-N 3.4Å; A1414-M1418 WeakPolarHBondContact O-CB 3.49Å; A1414-M1418 PolarHBondContact O-N 2.88Å
1415L93.8Very high90.5Very high0 Ų034.9 Ų34.90%017%0.168CC..Hα-helixtrans-65.9-39.5172.9-70.6170000112.2H1318 L1321 R1322 I1325 V1402 F1403 C1411 Q1413 M1418 A1419H1318-L1415 HydrophobicContact CB-CD1 4.48Å; L1321-L1415 HydrophobicContact CB-CB 3.97Å; L1321-L1415 HydrophobicContact CB-CD1 4.48Å; L1321-L1415 HydrophobicContact CD1-CB 3.75Å; L1321-L1415 HydrophobicContact CG-CB 4.45Å; R1322-L1415 HydrophobicContact CG-CD1 4.32Å; R1322-L1415 HydrophobicContact CG-CD2 3.9Å; I1325-L1415 HydrophobicContact CD1-CD2 3.96Å; V1402-L1415 HydrophobicContact CG1-CD2 4.38Å; F1403-L1415 HydrophobicContact CD2-CD2 3.95Å; F1403-L1415 HydrophobicContact CD2-CG 4.08Å; C1411-L1415 VanDerWaalsContact O-CB 3.31Å; C1411-L1415 WeakPolarHBondContact O-CB 3.29Å; C1411-L1415 WeakPolarHBondContact O-CD1 3.48Å; C1411-L1415 WeakPolarHBondContact O-CG 3.32Å; C1411-L1415 PolarHBondContact O-N 2.88Å; Q1413-L1415 PolarHBondContact O-N 3.17Å; L1415-M1418 PolarHBondContact O-N 3.24Å; L1415-A1419 VanDerWaalsContact O-CB 3.23Å; L1415-A1419 WeakPolarHBondContact O-CB 3.33Å; L1415-A1419 PolarHBondContact O-N 3.36Å
1416R94Very high91Very high56 Ų5628.8 Ų28.821%0.21114%0.14CC..Hα-helixtrans-64.1-40.7177179.1172.4-76.9118.30.7111.4L72 D75 Q1317 L1321 T1412 Q1413 R1420L72-R1416 HydrophobicContact CD1-CB 4.43Å; L72-R1416 HydrophobicContact CD1-CG 3.69Å; D75-R1416 IonicContact OD1-CZ 3.32Å; D75-R1416 VanDerWaalsContact OD1-CZ 3.24Å; D75-R1416 IonicContact OD1-NE 2.81Å; D75-R1416 PolarHBondContact OD1-NE 2.76Å; D75-R1416 IonicContact OD1-NH2 2.73Å; D75-R1416 PolarHBondContact OD1-NH2 3.36Å; D75-R1416 IonicContact OD2-NE 3.3Å; Q1317-R1416 VanDerWaalsContact OE1-NH2 3.08Å; L1321-R1416 HydrophobicContact CD1-CB 4.45Å; T1412-R1416 WeakPolarHBondContact O-CB 3.45Å; T1412-R1416 PolarHBondContact O-N 3.47Å; Q1413-R1416 WeakPolarHBondContact O-CB 3.49Å; Q1413-R1416 PolarHBondContact O-N 3.09Å; Q1413-R1416 VanDerWaalsContact O-N 3.1Å; R1416-R1420 VanDerWaalsContact O-CG 3.3Å; R1416-R1420 WeakPolarHBondContact O-CG 3.44Å; R1416-R1420 PolarHBondContact O-N 3.1Å
1417L93.2Very high91.3Very high10 Ų1027.7 Ų27.75%0.05213%0.134CC..Hα-helixtrans-63-53.1172.5-67168.9000111.3L1380 Q1413 A1414 A1419 R1420 I1421 P1538 E1539 I1542L1380-L1417 HydrophobicContact CD1-CB 4.45Å; Q1413-L1417 HydrophobicContact CG-CD1 4.31Å; Q1413-L1417 VanDerWaalsContact O-CG 3.31Å; Q1413-L1417 WeakPolarHBondContact O-CG 3.35Å; Q1413-L1417 PolarHBondContact O-N 2.94Å; A1414-L1417 PolarHBondContact O-N 3.4Å; L1417-A1419 VanDerWaalsContact C-N 3.28Å; L1417-A1419 PolarHBondContact O-N 3Å; L1417-R1420 PolarHBondContact O-N 3.07Å; L1417-R1420 VanDerWaalsContact O-N 3.13Å; L1417-I1421 WeakPolarHBondContact O-CG1 3.36Å; L1417-I1421 PolarHBondContact O-N 3.09Å; L1417-P1538 HydrophobicContact CD1-CB 4.46Å; L1417-P1538 HydrophobicContact CD1-CG 3.89Å; L1417-P1538 HydrophobicContact CD2-CB 4.39Å; L1417-P1538 HydrophobicContact CD2-CG 4.34Å; L1417-E1539 HydrophobicContact CD2-CG 3.53Å; L1417-I1542 HydrophobicContact CB-CD1 4.32Å; L1417-I1542 HydrophobicContact CD2-CD1 3.63Å
1418M94.6Very high91.7Very high10 Ų1023.8 Ų23.85%0.04911%0.113CC..Hα-helixtrans-58.3-39.6179.2-171.4178.4-173.100112.3I1325 Y1329 V1379 L1380 P1394 V1399 V1402 F1403 A1414 L1415 A1422I1325-M1418 HydrophobicContact CD1-CB 4.26Å; I1325-M1418 HydrophobicContact CD1-CG 4.27Å; I1325-M1418 HydrophobicContact CD1-SD 4.32Å; I1325-M1418 HydrophobicContact CG2-CE 4.36Å; Y1329-M1418 HydrophobicContact CE2-CE 4.3Å; V1379-M1418 HydrophobicContact CB-CE 4.4Å; V1379-M1418 HydrophobicContact CG2-CE 4.11Å; L1380-M1418 HydrophobicContact CD1-CB 4.11Å; P1394-M1418 HydrophobicContact CG-CE 3.82Å; V1399-M1418 HydrophobicContact CG2-CE 4.37Å; V1402-M1418 HydrophobicContact CG1-SD 4.36Å; F1403-M1418 HydrophobicContact CE2-SD 4.07Å; A1414-M1418 WeakPolarHBondContact O-CB 3.49Å; A1414-M1418 PolarHBondContact O-N 2.88Å; L1415-M1418 PolarHBondContact O-N 3.24Å; M1418-A1422 WeakPolarHBondContact O-CB 3.32Å; M1418-A1422 PolarHBondContact O-N 3.16Å
1419A93.5Very high92Very high2 Ų222 Ų222%0.01710%0.104CC..Hα-helixtrans-64.9-45175.100000112.2L72 L1321 I1325 L1415 L1417 A1422 R1423L72-A1419 HydrophobicContact CD1-CB 4.44Å; L72-A1419 HydrophobicContact CD2-CB 3.79Å; L1321-A1419 HydrophobicContact CD2-CB 4.17Å; I1325-A1419 HydrophobicContact CD1-CB 4.15Å; I1325-A1419 HydrophobicContact CG1-CB 3.73Å; L1415-A1419 VanDerWaalsContact O-CB 3.23Å; L1415-A1419 WeakPolarHBondContact O-CB 3.33Å; L1415-A1419 PolarHBondContact O-N 3.36Å; L1417-A1419 VanDerWaalsContact C-N 3.28Å; L1417-A1419 PolarHBondContact O-N 3Å; A1419-A1422 PolarHBondContact O-N 3.39Å; A1419-R1423 WeakPolarHBondContact O-CB 3.18Å; A1419-R1423 PolarHBondContact O-N 3.01Å
1420R93.3Very high92.1Very high75 Ų7515.9 Ų15.928%0.2838%0.076SC..Hα-helixtrans-61.2-44.9176.7-74.6172.8-179.2177.73.2112.2L72 R1416 L1417 R1423 A1424 E1539 I1542L72-R1420 HydrophobicContact CD1-CG 4.25Å; R1416-R1420 VanDerWaalsContact O-CG 3.3Å; R1416-R1420 WeakPolarHBondContact O-CG 3.44Å; R1416-R1420 PolarHBondContact O-N 3.1Å; L1417-R1420 PolarHBondContact O-N 3.07Å; L1417-R1420 VanDerWaalsContact O-N 3.13Å; R1420-R1423 PolarHBondContact O-N 3.46Å; R1420-A1424 WeakPolarHBondContact O-CB 3.34Å; R1420-A1424 PolarHBondContact O-N 2.89Å; R1420-E1539 IonicContact NH1-OE1 2.68Å; R1420-E1539 PolarHBondContact NH1-OE1 3.02Å; R1420-E1539 IonicContact NH1-OE2 2.78Å; R1420-E1539 PolarHBondContact NH1-OE2 2.91Å; R1420-E1539 VanDerWaalsContact NH1-OE2 3.11Å; R1420-I1542 HydrophobicContact CB-CD1 3.71Å; R1420-I1542 HydrophobicContact CB-CG1 3.89Å; R1420-I1542 HydrophobicContact CB-CG2 4.02Å
1421I92.8Very high92.2Very high0 Ų014.9 Ų14.90%07%0.065CC..Hα-helixtrans-59.4-52.8177.1-65.9168000110.4L1380 F1387 L1390 L1417 R1423 A1424 L1425 P1538 I1542L1380-I1421 HydrophobicContact CD2-CD1 3.91Å; F1387-I1421 HydrophobicContact CD2-CD1 4.31Å; L1390-I1421 HydrophobicContact CD1-CG2 3.58Å; L1417-I1421 WeakPolarHBondContact O-CG1 3.36Å; L1417-I1421 PolarHBondContact O-N 3.09Å; I1421-R1423 VanDerWaalsContact C-N 3.31Å; I1421-R1423 PolarHBondContact O-N 3.25Å; I1421-A1424 PolarHBondContact O-N 2.85Å; I1421-L1425 WeakPolarHBondContact O-CB 3.5Å; I1421-L1425 PolarHBondContact O-N 3.5Å; I1421-P1538 HydrophobicContact CD1-CB 4.18Å; I1421-I1542 HydrophobicContact CD1-CD1 4.5Å; I1421-I1542 HydrophobicContact CD1-CG1 4.43Å; I1421-I1542 HydrophobicContact CG1-CD1 3.97Å; I1421-I1542 HydrophobicContact CG1-CG1 3.54Å
1422A92.7Very high92.1Very high0 Ų014.8 Ų14.80%07%0.065CC..Hα-helixtrans-60.1-40.7179.100000112.2T1328 Y1329 M1418 A1419 H1426T1328-A1422 HydrophobicContact CG2-CB 4.02Å; T1328-A1422 WeakPolarHBondContact CG2-O 3.45Å; Y1329-A1422 HydrophobicContact CD2-CB 4.48Å; Y1329-A1422 HydrophobicContact CE1-CB 4.22Å; Y1329-A1422 HydrophobicContact CE2-CB 3.84Å; M1418-A1422 WeakPolarHBondContact O-CB 3.32Å; M1418-A1422 PolarHBondContact O-N 3.16Å; A1419-A1422 PolarHBondContact O-N 3.39Å; A1422-H1426 VanDerWaalsContact O-CB 3.27Å; A1422-H1426 WeakPolarHBondContact O-CB 3.38Å; A1422-H1426 PolarHBondContact O-N 2.93Å
1423R91.2Very high91.8Very high7 Ų714.5 Ų14.53%0.0266%0.063CC..Hα-helixtrans-69.5-36.7-179-169.277.6-159.975.243.9112.5A1419 R1420 I1421 H1426 D1427A1419-R1423 WeakPolarHBondContact O-CB 3.18Å; A1419-R1423 PolarHBondContact O-N 3.01Å; R1420-R1423 PolarHBondContact O-N 3.46Å; I1421-R1423 VanDerWaalsContact C-N 3.31Å; I1421-R1423 PolarHBondContact O-N 3.25Å; R1423-H1426 PolarHBondContact NH1-ND1 3.48Å; R1423-D1427 IonicContact CZ-OD1 3.65Å; R1423-D1427 VanDerWaalsContact CZ-OD1 3.27Å; R1423-D1427 IonicContact CZ-OD2 2.64Å; R1423-D1427 IonicContact NH1-OD1 3.28Å; R1423-D1427 PolarHBondContact NH1-OD1 3.45Å; R1423-D1427 IonicContact NH1-OD2 2.78Å; R1423-D1427 IonicContact NH2-OD1 3.56Å; R1423-D1427 PolarHBondContact NH2-OD1 2.88Å; R1423-D1427 IonicContact NH2-OD2 2.65Å; R1423-D1427 PolarHBondContact NH2-OD2 3.11Å; R1423-D1427 PolarHBondContact O-N 2.62Å
1424A92.1Very high91.4Very high0 Ų09 Ų90%04%0.037CC..Hα-helixtrans-71.2-45.7174.100000111.7R1420 I1421 H1426 D1427 I1428 L1545R1420-A1424 WeakPolarHBondContact O-CB 3.34Å; R1420-A1424 PolarHBondContact O-N 2.89Å; I1421-A1424 PolarHBondContact O-N 2.85Å; A1424-H1426 VanDerWaalsContact C-N 3.33Å; A1424-H1426 PolarHBondContact O-N 2.97Å; A1424-D1427 PolarHBondContact O-N 2.7Å; A1424-I1428 WeakPolarHBondContact O-CG1 3.42Å; A1424-I1428 PolarHBondContact O-N 3.45Å; A1424-I1428 VanDerWaalsContact O-N 3.13Å; A1424-L1545 HydrophobicContact CB-CB 3.76Å
1425L92.6Very high90.7Very high1 Ų110.6 Ų10.61%0.0054%0.043CC..Hα-helixtrans-58-43.8174.7176.562.5000112I1332 F1347 L1390 W1391 I1421 D1427 I1428 L1429I1332-L1425 HydrophobicContact CD1-CD2 4.33Å; I1332-L1425 HydrophobicContact CD1-CG 4.35Å; F1347-L1425 HydrophobicContact CE1-CD2 4.45Å; L1390-L1425 HydrophobicContact CD1-CB 4.28Å; L1390-L1425 HydrophobicContact CD1-CD1 4.44Å; L1390-L1425 HydrophobicContact CD1-CD2 3.95Å; L1390-L1425 HydrophobicContact CD1-CG 4.45Å; L1390-L1425 HydrophobicContact CD2-CD1 4.33Å; L1390-L1425 HydrophobicContact CG-CD1 4.27Å; L1390-L1425 HydrophobicContact CG-CD2 4.18Å; W1391-L1425 HydrophobicContact CZ3-CD1 3.88Å; I1421-L1425 WeakPolarHBondContact O-CB 3.5Å; I1421-L1425 PolarHBondContact O-N 3.5Å; L1425-D1427 PolarHBondContact O-N 3.37Å; L1425-I1428 PolarHBondContact O-N 3.37Å; L1425-L1429 HydrophobicContact CD1-CD1 3.93Å; L1425-L1429 HydrophobicContact CD1-CG 4.1Å; L1425-L1429 HydrophobicContact CG-CD1 3.91Å; L1425-L1429 HydrophobicContact CG-CG 4.47Å; L1425-L1429 WeakPolarHBondContact O-CB 3.47Å; L1425-L1429 WeakPolarHBondContact O-CG 3.29Å; L1425-L1429 PolarHBondContact O-N 2.88Å
1426H92.5Very high89.8Confident0 Ų010.7 Ų10.70%04%0.044CC..Hα-helixtrans-53.3-52.7175.6172.1-72.2000112.2T1328 S1331 I1332 A1422 R1423 A1424 I1428 L1429 H1430 W1640T1328-H1426 HydrophobicContact CG2-CB 3.69Å; S1331-H1426 WeakPolarHBondContact CB-NE2 3.3Å; S1331-H1426 PolarHBondContact OG-CD2 3.2Å; S1331-H1426 PolarHBondContact OG-NE2 3.32Å; I1332-H1426 HydrophobicContact CD1-CB 4.04Å; I1332-H1426 HydrophobicContact CG1-CB 4.01Å; A1422-H1426 VanDerWaalsContact O-CB 3.27Å; A1422-H1426 WeakPolarHBondContact O-CB 3.38Å; A1422-H1426 PolarHBondContact O-N 2.93Å; R1423-H1426 PolarHBondContact NH1-ND1 3.48Å; A1424-H1426 VanDerWaalsContact C-N 3.33Å; A1424-H1426 PolarHBondContact O-N 2.97Å; H1426-I1428 VanDerWaalsContact C-N 3.35Å; H1426-I1428 PolarHBondContact O-N 2.86Å; H1426-L1429 PolarHBondContact O-N 2.93Å; H1426-H1430 AromaticContact CD2-CD2 3.93Å; H1426-H1430 AromaticContact CD2-NE2 3.95Å; H1426-H1430 AromaticContact CE1-CD2 3.21Å; H1426-H1430 PolarHBondContact CE1-CD2 2.81Å; H1426-H1430 AromaticContact CE1-CG 3.85Å; H1426-H1430 AromaticContact CE1-NE2 3.34Å; H1426-H1430 PolarHBondContact CE1-NE2 3.31Å; H1426-H1430 VanDerWaalsContact CE1-NE2 3.34Å; H1426-H1430 AromaticContact ND1-CD2 3.69Å; H1426-H1430 AromaticContact NE2-CD2 3.4Å; H1426-H1430 PolarHBondContact NE2-CD2 2.55Å; H1426-H1430 AromaticContact NE2-NE2 3.15Å; H1426-H1430 PolarHBondContact NE2-NE2 3.07Å; H1426-H1430 VanDerWaalsContact NE2-NE2 3.15Å; H1426-H1430 PolarHBondContact O-CD2 2.7Å; H1426-H1430 PolarHBondContact O-N 3.25Å; H1426-W1640 AromaticContact CD2-CZ3 3.9Å; H1426-W1640 AromaticContact CE1-CE3 3.51Å; H1426-W1640 AromaticContact CE1-CZ3 4Å; H1426-W1640 AromaticContact NE2-CE3 3.47Å; H1426-W1640 AromaticContact NE2-CZ3 3.46Å; H1426-W1640 WeakPolarHBondContact NE2-CZ3 3.18Å
1427D92.3Very high88.7Confident1 Ų112.6 Ų12.61%0.0055%0.051CC..Hα-helixtrans-70-34.1-174.2-74.19.5000112.1R1423 A1424 L1425 Y1431 R1549 F1553 I1643R1423-D1427 IonicContact CZ-OD1 3.65Å; R1423-D1427 VanDerWaalsContact CZ-OD1 3.27Å; R1423-D1427 IonicContact CZ-OD2 2.64Å; R1423-D1427 IonicContact NH1-OD1 3.28Å; R1423-D1427 PolarHBondContact NH1-OD1 3.45Å; R1423-D1427 IonicContact NH1-OD2 2.78Å; R1423-D1427 IonicContact NH2-OD1 3.56Å; R1423-D1427 PolarHBondContact NH2-OD1 2.88Å; R1423-D1427 IonicContact NH2-OD2 2.65Å; R1423-D1427 PolarHBondContact NH2-OD2 3.11Å; R1423-D1427 PolarHBondContact O-N 2.62Å; A1424-D1427 PolarHBondContact O-N 2.7Å; L1425-D1427 PolarHBondContact O-N 3.37Å; D1427-Y1431 WeakPolarHBondContact O-CB 3.27Å; D1427-Y1431 PolarHBondContact O-N 2.69Å; D1427-R1549 HydrophobicContact CB-CG 4.03Å; D1427-R1549 IonicContact OD2-CZ 3.31Å; D1427-R1549 IonicContact OD2-NE 2.69Å; D1427-R1549 PolarHBondContact OD2-NE 2.87Å; D1427-R1549 IonicContact OD2-NH2 3.38Å; D1427-R1549 PolarHBondContact OD2-NH2 3.18Å; D1427-F1553 HydrophobicContact CB-CE2 4.36Å; D1427-I1643 HydrophobicContact CB-CD1 3.94Å; D1427-I1643 WeakPolarHBondContact OD1-CD1 3.44Å
1428I92.6Very high87.3Confident1 Ų112.9 Ų12.91%0.0055%0.053CC..Hα-helixtrans-63.3-47.1170.9-67.6167.9000110.3A1424 L1425 H1426 H1430 Y1431 L1432 I1525 L1545 R1549 M1552A1424-I1428 WeakPolarHBondContact O-CG1 3.42Å; A1424-I1428 PolarHBondContact O-N 3.45Å; A1424-I1428 VanDerWaalsContact O-N 3.13Å; L1425-I1428 PolarHBondContact O-N 3.37Å; H1426-I1428 VanDerWaalsContact C-N 3.35Å; H1426-I1428 PolarHBondContact O-N 2.86Å; I1428-H1430 PolarHBondContact O-N 2.88Å; I1428-Y1431 PolarHBondContact O-N 2.68Å; I1428-L1432 HydrophobicContact CG2-CD1 3.76Å; I1428-L1432 HydrophobicContact CG2-CG 4.17Å; I1428-L1432 WeakPolarHBondContact O-CB 3.47Å; I1428-L1432 VanDerWaalsContact O-CG 3.27Å; I1428-L1432 WeakPolarHBondContact O-CG 3.44Å; I1428-L1432 PolarHBondContact O-N 3.43Å; I1428-I1525 HydrophobicContact CG2-CD1 3.87Å; I1428-L1545 HydrophobicContact CD1-CB 4.28Å; I1428-L1545 HydrophobicContact CD1-CD2 3.95Å; I1428-R1549 HydrophobicContact CD1-CB 4.43Å; I1428-R1549 HydrophobicContact CG1-CB 4.02Å; I1428-M1552 HydrophobicContact CG1-SD 4.31Å; I1428-M1552 HydrophobicContact CG2-CE 4.35Å; I1428-M1552 HydrophobicContact CG2-SD 4.19Å
1429L91Very high85.4Confident2 Ų213.5 Ų13.51%0.016%0.061CC..Hα-helixtrans-63.8-42179.1-73.8170.7000112.6I1332 F1347 L1425 H1426 L1432 V1433 L1522I1332-L1429 HydrophobicContact CG1-CD1 4.25Å; I1332-L1429 HydrophobicContact CG2-CD1 3.84Å; F1347-L1429 HydrophobicContact CE1-CD1 4.33Å; F1347-L1429 HydrophobicContact CE2-CD2 4.42Å; F1347-L1429 HydrophobicContact CZ-CD1 3.83Å; F1347-L1429 HydrophobicContact CZ-CD2 4.04Å; L1425-L1429 HydrophobicContact CD1-CD1 3.93Å; L1425-L1429 HydrophobicContact CD1-CG 4.1Å; L1425-L1429 HydrophobicContact CG-CD1 3.91Å; L1425-L1429 HydrophobicContact CG-CG 4.47Å; L1425-L1429 WeakPolarHBondContact O-CB 3.47Å; L1425-L1429 WeakPolarHBondContact O-CG 3.29Å; L1425-L1429 PolarHBondContact O-N 2.88Å; H1426-L1429 PolarHBondContact O-N 2.93Å; L1429-L1432 PolarHBondContact O-N 3Å; L1429-V1433 WeakPolarHBondContact O-CB 3.41Å; L1429-V1433 WeakPolarHBondContact O-CG2 3.27Å; L1429-V1433 PolarHBondContact O-N 3.34Å; L1429-L1522 HydrophobicContact CD2-CD1 4.36Å; L1429-L1522 HydrophobicContact CD2-CD2 4.06Å
1430H89.1Confident83.4Confident11 Ų1115.3 Ų15.35%0.0517%0.07CC..Hα-helixtrans-63.1-41.5173.9-88.8-104.7000112.1S1331 T1335 H1426 I1428 A1434 I1643S1331-H1430 PolarHBondContact OG-NE2 2.92Å; T1335-H1430 PolarHBondContact OG1-CE1 2.86Å; T1335-H1430 PolarHBondContact OG1-NE2 2.96Å; H1426-H1430 AromaticContact CD2-CD2 3.93Å; H1426-H1430 AromaticContact CD2-NE2 3.95Å; H1426-H1430 AromaticContact CE1-CD2 3.21Å; H1426-H1430 PolarHBondContact CE1-CD2 2.81Å; H1426-H1430 AromaticContact CE1-CG 3.85Å; H1426-H1430 AromaticContact CE1-NE2 3.34Å; H1426-H1430 PolarHBondContact CE1-NE2 3.31Å; H1426-H1430 VanDerWaalsContact CE1-NE2 3.34Å; H1426-H1430 AromaticContact ND1-CD2 3.69Å; H1426-H1430 AromaticContact NE2-CD2 3.4Å; H1426-H1430 PolarHBondContact NE2-CD2 2.55Å; H1426-H1430 AromaticContact NE2-NE2 3.15Å; H1426-H1430 PolarHBondContact NE2-NE2 3.07Å; H1426-H1430 VanDerWaalsContact NE2-NE2 3.15Å; H1426-H1430 PolarHBondContact O-CD2 2.7Å; H1426-H1430 PolarHBondContact O-N 3.25Å; I1428-H1430 PolarHBondContact O-N 2.88Å; H1430-A1434 VanDerWaalsContact O-CB 3.24Å; H1430-A1434 WeakPolarHBondContact O-CB 3.45Å; H1430-A1434 PolarHBondContact O-N 3.16Å; H1430-I1643 HydrophobicContact CB-CB 3.97Å; H1430-I1643 HydrophobicContact CB-CG2 3.74Å
1431Y89.8Confident80.9Confident7 Ų713.7 Ų13.73%0.0277%0.07CC..Hα-helixtrans-62.6-47.5174.1-179.4-83.9000112D1427 I1428 A1434 Y1435 M1552 F1553 F1556 I1647D1427-Y1431 WeakPolarHBondContact O-CB 3.27Å; D1427-Y1431 PolarHBondContact O-N 2.69Å; I1428-Y1431 PolarHBondContact O-N 2.68Å; Y1431-A1434 PolarHBondContact O-N 3.47Å; Y1431-Y1435 VanDerWaalsContact O-CB 3.26Å; Y1431-Y1435 WeakPolarHBondContact O-CB 3.37Å; Y1431-Y1435 PolarHBondContact O-N 2.8Å; Y1431-M1552 HydrophobicContact CD1-CB 3.92Å; Y1431-M1552 HydrophobicContact CD1-CG 3.95Å; Y1431-M1552 HydrophobicContact CD1-SD 3.77Å; Y1431-M1552 HydrophobicContact CD2-CB 3.99Å; Y1431-M1552 HydrophobicContact CE1-CB 3.72Å; Y1431-M1552 HydrophobicContact CE1-CG 3.74Å; Y1431-M1552 HydrophobicContact CE1-SD 4.14Å; Y1431-M1552 VanDerWaalsContact CE2-C 3.49Å; Y1431-M1552 HydrophobicContact CE2-CB 3.78Å; Y1431-M1552 WeakPolarHBondContact CE2-O 3.35Å; Y1431-M1552 HydrophobicContact CG-CB 4.05Å; Y1431-M1552 HydrophobicContact CG-SD 4.33Å; Y1431-M1552 VanDerWaalsContact CZ-O 3.32Å; Y1431-M1552 PolarHBondContact OH-O 2.88Å; Y1431-F1553 HydrophobicContact CD2-CD1 4.22Å; Y1431-F1553 HydrophobicContact CD2-CE1 4.1Å; Y1431-F1556 HydrophobicContact CE2-CB 3.91Å; Y1431-F1556 HydrophobicContact CE2-CG 4.4Å; Y1431-I1647 HydrophobicContact CD2-CD1 3.72Å; Y1431-I1647 HydrophobicContact CE2-CD1 4.47Å; Y1431-I1647 HydrophobicContact CG-CD1 4.31Å
1432L87.9Confident78.4Confident3 Ų314.7 Ų14.72%0.0168%0.077CC..Hα-helixtrans-66.1-42.4-177.9-72.4178.5000112.6I1428 L1429 Y1435 A1436 I1518 E1521 L1522 M1552I1428-L1432 HydrophobicContact CG2-CD1 3.76Å; I1428-L1432 HydrophobicContact CG2-CG 4.17Å; I1428-L1432 WeakPolarHBondContact O-CB 3.47Å; I1428-L1432 VanDerWaalsContact O-CG 3.27Å; I1428-L1432 WeakPolarHBondContact O-CG 3.44Å; I1428-L1432 PolarHBondContact O-N 3.43Å; L1429-L1432 PolarHBondContact O-N 3Å; L1432-Y1435 PolarHBondContact O-N 3.02Å; L1432-A1436 WeakPolarHBondContact O-CB 3.35Å; L1432-A1436 PolarHBondContact O-N 2.91Å; L1432-I1518 HydrophobicContact CB-CG1 4.33Å; L1432-E1521 HydrophobicContact CD1-CB 3.78Å; L1432-E1521 HydrophobicContact CD1-CG 4.45Å; L1432-E1521 HydrophobicContact CD2-CB 3.93Å; L1432-E1521 HydrophobicContact CD2-CG 3.65Å; L1432-L1522 HydrophobicContact CD1-CD2 4.01Å; L1432-M1552 HydrophobicContact CD2-CE 3.95Å; L1432-M1552 HydrophobicContact CG-CE 4.41Å
1433V85.4Confident75.9Confident1 Ų119.9 Ų19.91%0.00611%0.114CC..Hα-helixtrans-65.4-41.4174.9170.30000111T1335 V1339 L1429 R1437 I1518T1335-V1433 HydrophobicContact CG2-CB 4.24Å; T1335-V1433 HydrophobicContact CG2-CG1 4.46Å; T1335-V1433 HydrophobicContact CG2-CG2 3.82Å; V1339-V1433 HydrophobicContact CG1-CG2 4.3Å; V1339-V1433 HydrophobicContact CG2-CG2 4.28Å; L1429-V1433 WeakPolarHBondContact O-CB 3.41Å; L1429-V1433 WeakPolarHBondContact O-CG2 3.27Å; L1429-V1433 PolarHBondContact O-N 3.34Å; V1433-R1437 WeakPolarHBondContact O-CB 3.46Å; V1433-R1437 WeakPolarHBondContact O-CD 3.43Å; V1433-R1437 WeakPolarHBondContact O-CG 3.47Å; V1433-R1437 PolarHBondContact O-N 2.99Å; V1433-I1518 HydrophobicContact CG2-CD1 3.89Å
1434A82.9Confident73.5Confident0 Ų028 Ų280%014%0.144CC..Hα-helixtrans-62.1-48.2174.500000111.7H1430 Y1431 R1437 L1438 E1644 I1647H1430-A1434 VanDerWaalsContact O-CB 3.24Å; H1430-A1434 WeakPolarHBondContact O-CB 3.45Å; H1430-A1434 PolarHBondContact O-N 3.16Å; Y1431-A1434 PolarHBondContact O-N 3.47Å; A1434-R1437 WeakPolarHBondContact O-CB 3.43Å; A1434-R1437 PolarHBondContact O-N 3.06Å; A1434-L1438 WeakPolarHBondContact O-CG 3.41Å; A1434-L1438 PolarHBondContact O-N 2.96Å; A1434-E1644 HydrophobicContact CB-CB 4.34Å; A1434-E1644 HydrophobicContact CB-CG 3.59Å; A1434-I1647 HydrophobicContact CB-CB 3.79Å; A1434-I1647 HydrophobicContact CB-CD1 3.94Å; A1434-I1647 HydrophobicContact CB-CG1 4.49Å; A1434-I1647 HydrophobicContact CB-CG2 3.55Å
1435Y78.1Confident71.2Confident36 Ų3629 Ų2914%0.14115%0.15CC..Hα-helixtrans-61.7-48.9-178.3177.3-117.8000112.2Y1431 L1432 R1437 L1438 L1517 L1666Y1431-Y1435 VanDerWaalsContact O-CB 3.26Å; Y1431-Y1435 WeakPolarHBondContact O-CB 3.37Å; Y1431-Y1435 PolarHBondContact O-N 2.8Å; L1432-Y1435 PolarHBondContact O-N 3.02Å; Y1435-R1437 PolarHBondContact O-N 3.3Å; Y1435-L1438 HydrophobicContact CD2-CD1 3.85Å; Y1435-L1438 HydrophobicContact CE2-CD1 4.49Å; Y1435-L1438 WeakPolarHBondContact O-CB 3.33Å; Y1435-L1438 WeakPolarHBondContact O-CG 3.44Å; Y1435-L1438 PolarHBondContact O-N 3.43Å; Y1435-L1438 VanDerWaalsContact O-N 3.1Å; Y1435-L1517 HydrophobicContact CD1-CD2 3.95Å; Y1435-L1517 HydrophobicContact CE1-CD2 3.89Å; Y1435-L1666 HydrophobicContact CD2-CD2 3.87Å; Y1435-L1666 HydrophobicContact CE2-CD2 3.29Å
1436A74.4Confident68.8Low2 Ų232.4 Ų32.42%0.01717%0.17CC..Hα-helixtrans-60.8-30.2177.800000112.6L1432 L1438 V1514 L1517 I1518L1432-A1436 WeakPolarHBondContact O-CB 3.35Å; L1432-A1436 PolarHBondContact O-N 2.91Å; A1436-L1438 VanDerWaalsContact C-N 3.32Å; A1436-L1438 PolarHBondContact O-N 3.23Å; A1436-V1514 HydrophobicContact CB-CB 4.22Å; A1436-V1514 HydrophobicContact CB-CG1 3.77Å; A1436-V1514 HydrophobicContact CB-CG2 4.1Å; A1436-L1517 HydrophobicContact CB-CD2 3.91Å; A1436-I1518 HydrophobicContact CB-CD1 4.22Å; A1436-I1518 HydrophobicContact CB-CG1 4.22Å
1437R70Confident66.5Low96 Ų9636 Ų3636%0.36220%0.2SC..THydrogen-bonded Turntrans-77.6-5.7177.8-76.7173.5158.4-175.8-10.2114.9N1338 V1433 A1434 Y1435 G1439 E1644N1338-R1437 VanDerWaalsContact CG-NH2 3.35Å; N1338-R1437 PolarHBondContact OD1-NH1 3.49Å; N1338-R1437 PolarHBondContact OD1-NH2 2.91Å; V1433-R1437 WeakPolarHBondContact O-CB 3.46Å; V1433-R1437 WeakPolarHBondContact O-CD 3.43Å; V1433-R1437 WeakPolarHBondContact O-CG 3.47Å; V1433-R1437 PolarHBondContact O-N 2.99Å; A1434-R1437 WeakPolarHBondContact O-CB 3.43Å; A1434-R1437 PolarHBondContact O-N 3.06Å; Y1435-R1437 PolarHBondContact O-N 3.3Å; R1437-G1439 PolarHBondContact O-N 3.13Å; R1437-E1644 VanDerWaalsContact CD-OE1 3.28Å; R1437-E1644 WeakPolarHBondContact CD-OE1 3.2Å; R1437-E1644 IonicContact CZ-OE1 2.65Å; R1437-E1644 IonicContact NE-OE1 3.63Å; R1437-E1644 IonicContact NH1-OE1 3.19Å; R1437-E1644 PolarHBondContact NH1-OE1 3.32Å; R1437-E1644 IonicContact NH1-OE2 2.75Å
1438L64.1Low64.1Low16 Ų1643 Ų438%0.08423%0.233CC..THydrogen-bonded Turntrans-70.5-1.1-175.6-61.9-178.8000115.2A1434 Y1435 A1436 L1651A1434-L1438 WeakPolarHBondContact O-CG 3.41Å; A1434-L1438 PolarHBondContact O-N 2.96Å; Y1435-L1438 HydrophobicContact CD2-CD1 3.85Å; Y1435-L1438 HydrophobicContact CE2-CD1 4.49Å; Y1435-L1438 WeakPolarHBondContact O-CB 3.33Å; Y1435-L1438 WeakPolarHBondContact O-CG 3.44Å; Y1435-L1438 PolarHBondContact O-N 3.43Å; Y1435-L1438 VanDerWaalsContact O-N 3.1Å; A1436-L1438 VanDerWaalsContact C-N 3.32Å; A1436-L1438 PolarHBondContact O-N 3.23Å; L1438-L1651 HydrophobicContact CD1-CD1 3.51Å; L1438-L1651 HydrophobicContact CD2-CB 4.42Å; L1438-L1651 HydrophobicContact CD2-CD1 3.54Å; L1438-L1651 HydrophobicContact CG-CD1 4.04Å
1439G54.7Low61.7Low22 Ų2247.6 Ų47.623%0.22725%0.254CS..THydrogen-bonded Turntrans111.753168.100000114.8R1437 S1441R1437-G1439 PolarHBondContact O-N 3.13Å; G1439-S1441 VanDerWaalsContact C-N 3.27Å; G1439-S1441 PolarHBondContact O-N 3.3Å; G1439-S1441 PolarHBondContact O-OG 3.49Å
1440I52.4Low59.4Low41 Ų4151.7 Ų51.721%0.2127%0.272CS..  trans-63.693.3163.6-53.2173.2000108.1S1442 I1445 H1510 V1513 L1517I1440-S1442 PolarHBondContact O-N 2.87Å; I1440-I1445 HydrophobicContact CG2-CD1 4.41Å; I1440-H1510 PolarHBondContact O-CE1 2.98Å; I1440-H1510 PolarHBondContact O-ND1 2.95Å; I1440-V1513 HydrophobicContact CB-CG1 4.44Å; I1440-V1513 HydrophobicContact CD1-CG1 4.18Å; I1440-V1513 HydrophobicContact CG2-CG1 3.84Å; I1440-L1517 HydrophobicContact CD1-CD2 4.06Å
1441S41.4Very low57.2Low41 Ų4157.6 Ų57.629%0.28730%0.299SS..  trans-73.6111.8-179-61.70000109.3G1439 S1443 R1444G1439-S1441 VanDerWaalsContact C-N 3.27Å; G1439-S1441 PolarHBondContact O-N 3.3Å; G1439-S1441 PolarHBondContact O-OG 3.49Å; S1441-S1443 PolarHBondContact O-N 3.06Å; S1441-R1444 PolarHBondContact O-N 2.85Å
1442S40.4Very low55Low20 Ų2063.5 Ų63.514%0.1433%0.327CS..THydrogen-bonded Turntrans-57.6-11.1-178.5-55.30000114.6I1440 H1510I1440-S1442 PolarHBondContact O-N 2.87Å; S1442-H1510 PolarHBondContact OG-CE1 3.11Å
1443S39.8Very low52.8Low110 Ų11066.1 Ų66.177%0.76934%0.34SS*.THydrogen-bonded Turntrans-74.5-16.3172.354.30000115.2S1441S1441-S1443 PolarHBondContact O-N 3.06Å
1444R40.1Very low50.6Low176 Ų17669.3 Ų69.366%0.66436%0.363SS*.SBendtrans-110.4-3.2177.7-73.7-166.8178.9-177.73.5115.1S1441 T1446S1441-R1444 PolarHBondContact O-N 2.85Å; R1444-T1446 PolarHBondContact O-N 2.96Å
1445I44.2Very low48.4Very low23 Ų2371.2 Ų71.212%0.11838%0.376CS..SBendtrans-67.8113.4169.5-55.8177.5000107.2I1440 Q1449 K1450 I1453 V1513I1440-I1445 HydrophobicContact CG2-CD1 4.41Å; I1445-Q1449 HydrophobicContact CG2-CB 3.54Å; I1445-K1450 HydrophobicContact CB-CG 4.27Å; I1445-K1450 HydrophobicContact CG2-CG 3.7Å; I1445-I1453 HydrophobicContact CG2-CD1 4.02Å; I1445-V1513 HydrophobicContact CD1-CG1 4.09Å; I1445-V1513 HydrophobicContact CD1-CG2 3.82Å
1446T42.5Very low46.5Very low71 Ų7172.9 Ų72.944%0.43639%0.39SS..  trans-62.3155.8-176.658.20000111.1R1444 E1448 Q1449 K1450R1444-T1446 PolarHBondContact O-N 2.96Å; T1446-E1448 PolarHBondContact O-N 2.97Å; T1446-E1448 VanDerWaalsContact O-N 3.16Å; T1446-Q1449 WeakPolarHBondContact O-CA 3.08Å; T1446-Q1449 WeakPolarHBondContact O-CB 3.45Å; T1446-Q1449 PolarHBondContact O-N 3.14Å; T1446-Q1449 WeakPolarHBondContact OG1-CG 3.49Å; T1446-Q1449 PolarHBondContact OG1-N 2.7Å; T1446-K1450 PolarHBondContact O-N 2.73Å
1447A44.6Very low44.5Very low76 Ų7680.4 Ų80.463%0.62842%0.423SS*.Hα-helixtrans-55.7-34.9177.800000111.9K1450 H1451A1447-K1450 PolarHBondContact O-N 2.88Å; A1447-H1451 WeakPolarHBondContact O-CB 3.34Å; A1447-H1451 PolarHBondContact O-CD2 3.43Å; A1447-H1451 VanDerWaalsContact O-CD2 3.28Å; A1447-H1451 PolarHBondContact O-N 2.8Å
1448E41.4Very low43Very low149 Ų14981 Ų8170%0.69643%0.433SS*.Hα-helixtrans-64-45.7173.7-59.7-179.715200112.2T1446 H1451 Q1452T1446-E1448 PolarHBondContact O-N 2.97Å; T1446-E1448 VanDerWaalsContact O-N 3.16Å; E1448-H1451 CarbonylContact O-C 3.44Å; E1448-H1451 PolarHBondContact O-N 2.87Å; E1448-Q1452 WeakPolarHBondContact O-CG 3.42Å; E1448-Q1452 PolarHBondContact O-N 3.1Å
1449Q42.4Very low41.7Very low96 Ų9686.1 Ų86.145%0.44946%0.455SS..Hα-helixtrans-63.6-43.3173.5-74.4173.3-17.100111.6I1445 T1446 H1451 Q1452 I1453I1445-Q1449 HydrophobicContact CG2-CB 3.54Å; T1446-Q1449 WeakPolarHBondContact O-CA 3.08Å; T1446-Q1449 WeakPolarHBondContact O-CB 3.45Å; T1446-Q1449 PolarHBondContact O-N 3.14Å; T1446-Q1449 WeakPolarHBondContact OG1-CG 3.49Å; T1446-Q1449 PolarHBondContact OG1-N 2.7Å; Q1449-H1451 VanDerWaalsContact C-N 3.26Å; Q1449-H1451 PolarHBondContact O-N 3.44Å; Q1449-Q1452 PolarHBondContact O-N 2.75Å; Q1449-Q1452 VanDerWaalsContact O-N 3.12Å; Q1449-I1453 WeakPolarHBondContact O-CB 3.42Å; Q1449-I1453 VanDerWaalsContact O-CG1 3.25Å; Q1449-I1453 WeakPolarHBondContact O-CG1 3.12Å; Q1449-I1453 PolarHBondContact O-N 2.85Å
1450K41.2Very low40.8Very low89 Ų8991.9 Ų91.939%0.38748%0.48SS..Hα-helixtrans-59.4-36.3172.6-74-158.3175-163.90111.8I1445 T1446 A1447 S1454 E1509I1445-K1450 HydrophobicContact CB-CG 4.27Å; I1445-K1450 HydrophobicContact CG2-CG 3.7Å; T1446-K1450 PolarHBondContact O-N 2.73Å; A1447-K1450 PolarHBondContact O-N 2.88Å; K1450-S1454 WeakPolarHBondContact O-CB 3.46Å; K1450-S1454 PolarHBondContact O-N 2.72Å; K1450-E1509 IonicContact NZ-OE2 2.88Å
1451H43.5Very low39.9Very low134 Ų13498 Ų9862%0.6251%0.508SS*.Hα-helixtrans-72-32.8173.3-89.5-70.5000113.8A1447 E1448 Q1449 S1455A1447-H1451 WeakPolarHBondContact O-CB 3.34Å; A1447-H1451 PolarHBondContact O-CD2 3.43Å; A1447-H1451 VanDerWaalsContact O-CD2 3.28Å; A1447-H1451 PolarHBondContact O-N 2.8Å; E1448-H1451 CarbonylContact O-C 3.44Å; E1448-H1451 PolarHBondContact O-N 2.87Å; Q1449-H1451 VanDerWaalsContact C-N 3.26Å; Q1449-H1451 PolarHBondContact O-N 3.44Å; H1451-S1455 WeakPolarHBondContact O-CB 3.26Å; H1451-S1455 PolarHBondContact O-N 2.95Å; H1451-S1455 PolarHBondContact O-OG 2.68Å
1452Q44.6Very low39.5Very low132 Ų132102.5 Ų102.562%0.61753%0.527SS*.Hα-helixtrans-67.5-45.5171.7-70.91801700111E1448 Q1449 S1454 S1455 T1456E1448-Q1452 WeakPolarHBondContact O-CG 3.42Å; E1448-Q1452 PolarHBondContact O-N 3.1Å; Q1449-Q1452 PolarHBondContact O-N 2.75Å; Q1449-Q1452 VanDerWaalsContact O-N 3.12Å; Q1452-S1454 VanDerWaalsContact C-N 3.35Å; Q1452-S1454 PolarHBondContact O-N 2.95Å; Q1452-S1455 PolarHBondContact O-N 3.27Å; Q1452-T1456 WeakPolarHBondContact O-CG2 3.48Å; Q1452-T1456 PolarHBondContact O-N 3.09Å; Q1452-T1456 PolarHBondContact O-OG1 3.36Å
1453I41.5Very low38.9Very low57 Ų57110.6 Ų110.629%0.29256%0.56SS.*Hα-helixtrans-57.4-43.8174-70166.6000111.6I1445 Q1449 T1456I1445-I1453 HydrophobicContact CG2-CD1 4.02Å; Q1449-I1453 WeakPolarHBondContact O-CB 3.42Å; Q1449-I1453 VanDerWaalsContact O-CG1 3.25Å; Q1449-I1453 WeakPolarHBondContact O-CG1 3.12Å; Q1449-I1453 PolarHBondContact O-N 2.85Å; I1453-T1456 PolarHBondContact O-OG1 3.23Å
1454S39.5Very low38.3Very low69 Ų69109.8 Ų109.848%0.48356%0.555SS.*Hα-helixtrans-73.9-42.3179.1-167.70000112.8K1450 Q1452 T1456 F1457K1450-S1454 WeakPolarHBondContact O-CB 3.46Å; K1450-S1454 PolarHBondContact O-N 2.72Å; Q1452-S1454 VanDerWaalsContact C-N 3.35Å; Q1452-S1454 PolarHBondContact O-N 2.95Å; S1454-T1456 VanDerWaalsContact C-N 3.35Å; S1454-T1456 PolarHBondContact O-N 3.38Å; S1454-F1457 PolarHBondContact O-N 3.33Å
1455S36.8Very low37.6Very low39 Ų39107.8 Ų107.827%0.27356%0.562SS.*Hα-helixtrans-79.2-10.3-172.969.20000115.2H1451 Q1452 F1457 K1459H1451-S1455 WeakPolarHBondContact O-CB 3.26Å; H1451-S1455 PolarHBondContact O-N 2.95Å; H1451-S1455 PolarHBondContact O-OG 2.68Å; Q1452-S1455 PolarHBondContact O-N 3.27Å; S1455-F1457 VanDerWaalsContact C-N 3.35Å; S1455-K1459 VanDerWaalsContact O-CD 3.3Å; S1455-K1459 WeakPolarHBondContact O-CD 3.32Å; S1455-K1459 VanDerWaalsContact O-CG 3.3Å; S1455-K1459 WeakPolarHBondContact O-CG 3.39Å
1456T36.8Very low36.7Very low72 Ų72115.3 Ų115.344%0.44260%0.601SS.*Hα-helixtrans-73.3-26.8167.146.80000112.3Q1452 I1453 S1454Q1452-T1456 WeakPolarHBondContact O-CG2 3.48Å; Q1452-T1456 PolarHBondContact O-N 3.09Å; Q1452-T1456 PolarHBondContact O-OG1 3.36Å; I1453-T1456 PolarHBondContact O-OG1 3.23Å; S1454-T1456 VanDerWaalsContact C-N 3.35Å; S1454-T1456 PolarHBondContact O-N 3.38Å
1457F33Very low36.1Very low159 Ų159115.5 Ų115.570%0.69762%0.617SS**Hα-helixtrans-71.6-53.6176.1-111.7-89.6000112.3S1454 S1455 K1459 N1460S1454-F1457 PolarHBondContact O-N 3.33Å; S1455-F1457 VanDerWaalsContact C-N 3.35Å; F1457-K1459 VanDerWaalsContact C-N 3.29Å; F1457-K1459 PolarHBondContact O-N 2.95Å; F1457-N1460 PolarHBondContact O-N 2.88Å; F1457-N1460 VanDerWaalsContact O-N 3.16Å
1458D38.2Very low35.2Very low108 Ų108121.2 Ų121.258%0.57863%0.628SS**Hα-helixtrans-59.8-36.7-177.2-77.7-33000113.2N1460 Q1461D1458-N1460 PolarHBondContact O-N 2.65Å; D1458-N1460 VanDerWaalsContact O-N 3.12Å; D1458-Q1461 PolarHBondContact O-N 3.22Å
1459K37.4Very low34.3Very low125 Ų125120 Ų12054%0.54363%0.631SS.*THydrogen-bonded Turntrans-63.8-18-178.7-76172.6-173.7160.10113.7S1455 F1457S1455-K1459 VanDerWaalsContact O-CD 3.3Å; S1455-K1459 WeakPolarHBondContact O-CD 3.32Å; S1455-K1459 VanDerWaalsContact O-CG 3.3Å; S1455-K1459 WeakPolarHBondContact O-CG 3.39Å; F1457-K1459 VanDerWaalsContact C-N 3.29Å; F1457-K1459 PolarHBondContact O-N 2.95Å
1460N34.2Very low33.7Very low142 Ų142122.6 Ų122.676%0.75965%0.653SS**THydrogen-bonded Turntrans-89.4-13.1-179.7-74-9.5000114.2F1457 D1458F1457-N1460 PolarHBondContact O-N 2.88Å; F1457-N1460 VanDerWaalsContact O-N 3.16Å; D1458-N1460 PolarHBondContact O-N 2.65Å; D1458-N1460 VanDerWaalsContact O-N 3.12Å
1461Q34.5Very low32.8Very low171 Ų171125.3 Ų125.380%0.79967%0.671SS**THydrogen-bonded Turntrans-97-24.7172.4-65.6-164.223.900113.8D1458D1458-Q1461 PolarHBondContact O-N 3.22Å
1462I33.3Very low31.8Very low134 Ų134124.1 Ų124.169%0.68768%0.678SS**SBendtrans-89.6-7.7-171.3-61.2174.6000113S1464I1462-S1464 VanDerWaalsContact C-N 3.28Å; I1462-S1464 PolarHBondContact O-N 3.47Å; I1462-S1464 VanDerWaalsContact O-N 3.11Å
1463K26.8Very low30.9Very low191 Ų191123.3 Ų123.383%0.8369%0.687SS**  trans-85.739.4-177-84.9-172.3171.6-175.80115.7
1464S27.3Very low30.1Very low93 Ų93129 Ų12965%0.6571%0.71SS**SBendtrans-125.3144.7158.470.80000110.2I1462I1462-S1464 VanDerWaalsContact C-N 3.28Å; I1462-S1464 PolarHBondContact O-N 3.47Å; I1462-S1464 VanDerWaalsContact O-N 3.11Å
1465T26.5Very low29.4Very low134 Ų134133.6 Ų133.682%0.82272%0.724SS**  trans72.570179.8-35.60000116.7
1466I25.7Very low28.9Very low180 Ų180137.8 Ų137.892%0.92375%0.748SS**  trans-148.9111.2137.6-95.8147.1000106.7
1467G28.2Very low28.2Very low76 Ų76140 Ų14078%0.78476%0.761SS**  trans-169.1114-175.300000110.4
1468K25.7Very low27.9Very low195 Ų195139 Ų13985%0.84877%0.768SS**  trans-80.7136.1-162.1-63.4169.7176.2171.20113.9
1469T23.7Very low27.3Very low124 Ų124141.1 Ų141.176%0.76178%0.78SS**  trans45.3108.8139.959.40000120.9
1470V29.3Very low27Very low150 Ų150142.5 Ų142.591%0.90980%0.798SS**  trans-136.9160137.2-179.20000107.8
1471N22.8Very low26.6Very low146 Ų146141.7 Ų141.778%0.78180%0.799SS**  trans-100.5157.5-165.7-69.1-41.4000116
1472S22.3Very low26.3Very low109 Ų109139.6 Ų139.676%0.76280%0.803SS**  trans86147.8147.381.80000120.7
1473S25.2Very low25.9Very low115 Ų115138 Ų13880%0.80481%0.81SS**  trans68.1151.6172.879.70000117.3
1474K25.1Very low25.9Very low177 Ų177132.7 Ų132.777%0.7781%0.809SS**  cis-168.1116.1-42.5-131.9-172-176.5-175.90108.6
1475Q23.6Very low25.8Very low166 Ų166133.1 Ų133.178%0.77681%0.812SS**  trans59.5154.6163.2-60.7162.2-6700115.6
1476T26.3Very low25.8Very low127 Ų127133.3 Ų133.378%0.77981%0.808SS**  cis-1441681.8-23.10000110.3
1477T23.2Very low25.7Very low118 Ų118137 Ų13772%0.72481%0.811SS**  trans-50144.6175.549.70000116.8
1478T27.3Very low25.6Very low138 Ų138138.7 Ų138.785%0.84781%0.81SS**  -166.7145.6103.427.50000111.7
1479N25.2Very low25.5Very low153 Ų153141 Ų14182%0.81881%0.814SS**  trans-95.9141.7177.4-59.1-36.9000111.1
1480V30.8Very low25.8Very low153 Ų153140.3 Ų140.393%0.92781%0.814SS**  trans-134.8109.8150.7-177.30000108.1
1481T25.2Very low25.6Very low126 Ų126138 Ų13877%0.77380%0.804SS**  trans-91.4146.6-179.942.20000112.2
1482S28Very low25.8Very low127 Ų127138.8 Ų138.889%0.88881%0.807SS**  trans-55.9134.6170.4-179.40000112.7
1483A25.2Very low25.8Very low100 Ų100139.1 Ų139.183%0.82681%0.809SS**  trans-146.2134.6159.900000108
1484G27.1Very low26Very low80 Ų80139.4 Ų139.483%0.82581%0.811SS**  trans-114.4161.8179.800000112.2
1485S24.8Very low26Very low102 Ų102137.2 Ų137.271%0.71381%0.813SS**  trans-155.3142.8172.2-144.90000114.4
1486N27Very low26.1Very low138 Ų138135 Ų13574%0.73881%0.805SS**  trans52.6103.2149.5-58.8-9.6000120.7
1487R24.2Very low26.3Very low258 Ų258134 Ų13497%0.97481%0.81SS**  trans-80.7108150-78.8179.7168.5177.4-5.1109.9
1488S26Very low26.5Very low110 Ų110134.3 Ų134.377%0.76981%0.808SS**  trans-93.7109.5175.4-68.80000112.6
1489R23.3Very low26.6Very low245 Ų245133.1 Ų133.193%0.92580%0.802SS**  trans-33.3132.4167.8172.4-176.6179.6141.4-4116.6
1490S30.2Very low26.9Very low109 Ų109131.6 Ų131.676%0.76280%0.798SS**  trans-135.6149.9160.857.10000111.6
1491S25.4Very low26.8Very low102 Ų102128.2 Ų128.271%0.71378%0.779SS**  trans-33.1123.2-179.541.70000116.5
1492I25.9Very low27.1Very low161 Ų161126.8 Ų126.883%0.82677%0.771SS**  68.5100.379.2-61.2159000113.4
1493S22.3Very low27.2Very low117 Ų117127.3 Ų127.382%0.81876%0.764SS**  trans171.684132.6179.80000113.5
1494S30.2Very low27.5Very low121 Ų121127.5 Ų127.585%0.84675%0.75SS**  trans-176.6114.2152.955.80000108.4
1495T25.6Very low27.6Very low131 Ų131126.8 Ų126.880%0.80473%0.733SS**  trans-97.4166.3-17143.10000113.4
1496L25.7Very low28Very low118 Ų118127.3 Ų127.362%0.61873%0.728SS**  trans57.777.9-178.7-66.3107.5000115
1497A29.5Very low28.5Very low107 Ų107125.9 Ų125.988%0.88472%0.719SS**  trans-83108.514300000107.1
1498D26.9Very low29.1Very low125 Ų125120.3 Ų120.367%0.66870%0.704SS**  trans-61.5151.5-179.5-88.8-51.3000112.9T1500D1498-T1500 PolarHBondContact O-N 2.82Å
1499P30.8Very low29.7Very low113 Ų113119.8 Ų119.873%0.73469%0.69SS**  trans-69.995.9173.230.2-33.4000109.8T1501P1499-T1501 PolarHBondContact O-N 2.81Å
1500T30.8Very low30.6Very low120 Ų120112 Ų11274%0.73666%0.663SS**  trans-43.6111.5177.951.70000111.7D1498D1498-T1500 PolarHBondContact O-N 2.82Å
1501T28.9Very low31.7Very low83 Ų83108.4 Ų108.451%0.50964%0.638SS.*  trans-63.2134.4-177.934.50000111.3P1499 L1503P1499-T1501 PolarHBondContact O-N 2.81Å; T1501-L1503 PolarHBondContact O-N 3.01Å
1502P32.4Very low33.4Very low96 Ų96108.2 Ų108.262%0.62363%0.629SS**THydrogen-bonded Turntrans-70.826.7-167.6-22.135.3000118.4S1505P1502-S1505 PolarHBondContact O-OG 3.12Å; P1502-S1505 VanDerWaalsContact O-OG 3.11Å
1503L29Very low35.2Very low138 Ų138101.8 Ų101.872%0.72360%0.597SS**THydrogen-bonded Turntrans-73.9-29.6171-98.473.7000112.3T1501 S1505 N1506T1501-L1503 PolarHBondContact O-N 3.01Å; L1503-S1505 PolarHBondContact O-N 3.12Å; L1503-S1505 VanDerWaalsContact O-N 3.17Å; L1503-N1506 PolarHBondContact O-N 2.99Å
1504D31.1Very low37.4Very low103 Ų10397.2 Ų97.255%0.55156%0.564SS**Hα-helixtrans-63.2-22-177.9-75.1-14.8000113.8N1506 I1507 Q1508D1504-N1506 VanDerWaalsContact C-N 3.29Å; D1504-N1506 PolarHBondContact O-N 2.89Å; D1504-I1507 PolarHBondContact O-N 3.38Å; D1504-Q1508 WeakPolarHBondContact O-CB 3.38Å; D1504-Q1508 PolarHBondContact O-N 2.7Å
1505S29.6Very low39.4Very low66 Ų6691.7 Ų91.746%0.46253%0.525SS..Hα-helixtrans-66.1-31177.654.60000112.9P1502 L1503 Q1508 E1509P1502-S1505 PolarHBondContact O-OG 3.12Å; P1502-S1505 VanDerWaalsContact O-OG 3.11Å; L1503-S1505 PolarHBondContact O-N 3.12Å; L1503-S1505 VanDerWaalsContact O-N 3.17Å; S1505-Q1508 PolarHBondContact O-N 2.87Å; S1505-E1509 PolarHBondContact O-N 2.7Å
1506N33.9Very low41.7Very low112 Ų11288.6 Ų88.660%0.59950%0.501SS*.Hα-helixtrans-73.9-36.5172.9-78.89.6000111.4L1503 D1504 Q1508 E1509 H1510L1503-N1506 PolarHBondContact O-N 2.99Å; D1504-N1506 VanDerWaalsContact C-N 3.29Å; D1504-N1506 PolarHBondContact O-N 2.89Å; N1506-Q1508 VanDerWaalsContact C-N 3.25Å; N1506-Q1508 PolarHBondContact O-N 3.39Å; N1506-E1509 PolarHBondContact O-N 2.72Å; N1506-H1510 PolarHBondContact O-CD2 3.37Å; N1506-H1510 VanDerWaalsContact O-CD2 3.24Å; N1506-H1510 PolarHBondContact O-N 2.91Å
1507I37Very low44Very low108 Ų10885.3 Ų85.355%0.55448%0.484SS*.Hα-helixtrans-62.4-37.6173.8-62.3176000109.9D1504 H1510 S1511D1504-I1507 PolarHBondContact O-N 3.38Å; I1507-H1510 PolarHBondContact O-N 2.79Å; I1507-S1511 PolarHBondContact O-N 2.74Å
1508Q35.8Very low46.6Very low141 Ų14180.3 Ų80.366%0.65944%0.442SS*.Hα-helixtrans-70.5-36.7178.9-158.2163.556.600113.2D1504 S1505 N1506 L1512D1504-Q1508 WeakPolarHBondContact O-CB 3.38Å; D1504-Q1508 PolarHBondContact O-N 2.7Å; S1505-Q1508 PolarHBondContact O-N 2.87Å; N1506-Q1508 VanDerWaalsContact C-N 3.25Å; N1506-Q1508 PolarHBondContact O-N 3.39Å; Q1508-L1512 WeakPolarHBondContact O-CG 3.33Å; Q1508-L1512 PolarHBondContact O-N 3.44Å
1509E38.8Very low49.2Very low100 Ų10074.6 Ų74.647%0.46741%0.412SS..Hα-helixtrans-64.8-41.6168.6-76.6-151.9173.500112K1450 S1505 N1506 L1512K1450-E1509 IonicContact NZ-OE2 2.88Å; S1505-E1509 PolarHBondContact O-N 2.7Å; N1506-E1509 PolarHBondContact O-N 2.72Å; E1509-L1512 PolarHBondContact O-N 2.67Å
1510H43.8Very low51.6Low81 Ų8172.4 Ų72.438%0.37540%0.397SS..Hα-helixtrans-65.4-38.9176.8-83-69.6000112.9I1440 S1442 N1506 I1507 L1512 V1513 V1514I1440-H1510 PolarHBondContact O-CE1 2.98Å; I1440-H1510 PolarHBondContact O-ND1 2.95Å; S1442-H1510 PolarHBondContact OG-CE1 3.11Å; N1506-H1510 PolarHBondContact O-CD2 3.37Å; N1506-H1510 VanDerWaalsContact O-CD2 3.24Å; N1506-H1510 PolarHBondContact O-N 2.91Å; I1507-H1510 PolarHBondContact O-N 2.79Å; H1510-L1512 PolarHBondContact O-N 3.4Å; H1510-V1513 PolarHBondContact O-N 3.5Å; H1510-V1514 WeakPolarHBondContact O-CG2 3.43Å; H1510-V1514 PolarHBondContact O-N 3.1Å; H1510-V1514 VanDerWaalsContact O-N 3.11Å
1511S52.2Low54.2Low33 Ų3368.8 Ų68.823%0.23137%0.372CS..Hα-helixtrans-55.9-51.1175.4-166.40000110.6I1507 V1513 V1514 D1515I1507-S1511 PolarHBondContact O-N 2.74Å; S1511-V1513 VanDerWaalsContact C-N 3.25Å; S1511-V1513 PolarHBondContact O-N 3.43Å; S1511-V1513 VanDerWaalsContact O-N 3.16Å; S1511-V1514 CarbonylContact O-C 3.5Å; S1511-V1514 WeakPolarHBondContact O-CB 3.36Å; S1511-V1514 PolarHBondContact O-N 2.77Å; S1511-D1515 VanDerWaalsContact C-OD2 3.25Å; S1511-D1515 WeakPolarHBondContact O-CB 3.39Å; S1511-D1515 PolarHBondContact O-N 2.89Å; S1511-D1515 PolarHBondContact OG-OD2 3.42Å
1512L61Low57Low99 Ų9964.8 Ų64.852%0.51835%0.348SS..Hα-helixtrans-57.6-35.5-176.5-71.3166.7000113.5Q1508 E1509 H1510 Q1516Q1508-L1512 WeakPolarHBondContact O-CG 3.33Å; Q1508-L1512 PolarHBondContact O-N 3.44Å; E1509-L1512 PolarHBondContact O-N 2.67Å; H1510-L1512 PolarHBondContact O-N 3.4Å; L1512-Q1516 VanDerWaalsContact O-CB 3.28Å; L1512-Q1516 WeakPolarHBondContact O-CB 3.32Å; L1512-Q1516 PolarHBondContact O-N 3.35Å
1513V63.2Low59.5Low26 Ų2665.6 Ų65.616%0.15834%0.338CS..Hα-helixtrans-75.3-40177.2-178.30000111.6I1440 I1445 H1510 S1511 Q1516 L1517I1440-V1513 HydrophobicContact CB-CG1 4.44Å; I1440-V1513 HydrophobicContact CD1-CG1 4.18Å; I1440-V1513 HydrophobicContact CG2-CG1 3.84Å; I1445-V1513 HydrophobicContact CD1-CG1 4.09Å; I1445-V1513 HydrophobicContact CD1-CG2 3.82Å; H1510-V1513 PolarHBondContact O-N 3.5Å; S1511-V1513 VanDerWaalsContact C-N 3.25Å; S1511-V1513 PolarHBondContact O-N 3.43Å; S1511-V1513 VanDerWaalsContact O-N 3.16Å; V1513-Q1516 PolarHBondContact O-N 2.99Å; V1513-L1517 PolarHBondContact O-N 3.38Å
1514V68.5Low62.3Low20 Ų2061.4 Ų61.412%0.12132%0.315CS..Hα-helixtrans-62-50.5173.7163.20000110.9V1339 A1436 H1510 S1511 Q1516 L1517 I1518V1339-V1514 HydrophobicContact CG1-CG1 3.98Å; A1436-V1514 HydrophobicContact CB-CB 4.22Å; A1436-V1514 HydrophobicContact CB-CG1 3.77Å; A1436-V1514 HydrophobicContact CB-CG2 4.1Å; H1510-V1514 WeakPolarHBondContact O-CG2 3.43Å; H1510-V1514 PolarHBondContact O-N 3.1Å; H1510-V1514 VanDerWaalsContact O-N 3.11Å; S1511-V1514 CarbonylContact O-C 3.5Å; S1511-V1514 WeakPolarHBondContact O-CB 3.36Å; S1511-V1514 PolarHBondContact O-N 2.77Å; V1514-Q1516 VanDerWaalsContact C-N 3.29Å; V1514-Q1516 PolarHBondContact O-N 3.06Å; V1514-L1517 PolarHBondContact O-N 2.93Å; V1514-I1518 HydrophobicContact CG1-CD1 3.89Å; V1514-I1518 WeakPolarHBondContact O-CG1 3.28Å; V1514-I1518 PolarHBondContact O-N 2.64Å; V1514-I1518 VanDerWaalsContact O-N 3.13Å
1515D73.8Confident65Low5 Ų556.5 Ų56.53%0.02729%0.289CS..Hα-helixtrans-56.9-43.1176.5-75.2-62.7000110.6V1339 V1341 V1342 S1511 A1519V1339-D1515 VanDerWaalsContact C-OD1 3.27Å; V1339-D1515 WeakPolarHBondContact CA-OD1 3.11Å; V1339-D1515 WeakPolarHBondContact CB-OD1 3.16Å; V1341-D1515 HydrophobicContact CB-CB 3.89Å; V1341-D1515 HydrophobicContact CG2-CB 4.39Å; V1341-D1515 PolarHBondContact N-OD1 3.25Å; V1342-D1515 HydrophobicContact CG2-CB 4.09Å; V1342-D1515 WeakPolarHBondContact CG2-O 3.34Å; V1342-D1515 PolarHBondContact N-OD1 3.11Å; S1511-D1515 VanDerWaalsContact C-OD2 3.25Å; S1511-D1515 WeakPolarHBondContact O-CB 3.39Å; S1511-D1515 PolarHBondContact O-N 2.89Å; S1511-D1515 PolarHBondContact OG-OD2 3.42Å; D1515-A1519 WeakPolarHBondContact O-CB 3.45Å; D1515-A1519 PolarHBondContact O-N 2.73Å
1516Q73.8Confident67.8Low67 Ų6753.7 Ų53.731%0.31327%0.268SS..Hα-helixtrans-67.7-40.3178.7-175.5172.7-2.400113.5L1512 V1513 V1514 A1519 T1520L1512-Q1516 VanDerWaalsContact O-CB 3.28Å; L1512-Q1516 WeakPolarHBondContact O-CB 3.32Å; L1512-Q1516 PolarHBondContact O-N 3.35Å; V1513-Q1516 PolarHBondContact O-N 2.99Å; V1514-Q1516 VanDerWaalsContact C-N 3.29Å; V1514-Q1516 PolarHBondContact O-N 3.06Å; Q1516-A1519 PolarHBondContact O-N 3.04Å; Q1516-T1520 PolarHBondContact O-N 3.47Å; Q1516-T1520 PolarHBondContact O-OG1 2.85Å
1517L74.3Confident70.3Confident49 Ų4952.3 Ų52.326%0.25726%0.255SS..Hα-helixtrans-62.7-46177.7-176.972.6000111.1Y1435 A1436 I1440 V1513 V1514 T1520 E1521Y1435-L1517 HydrophobicContact CD1-CD2 3.95Å; Y1435-L1517 HydrophobicContact CE1-CD2 3.89Å; A1436-L1517 HydrophobicContact CB-CD2 3.91Å; I1440-L1517 HydrophobicContact CD1-CD2 4.06Å; V1513-L1517 PolarHBondContact O-N 3.38Å; V1514-L1517 PolarHBondContact O-N 2.93Å; L1517-T1520 WeakPolarHBondContact CA-OG1 3.33Å; L1517-T1520 PolarHBondContact O-N 3.27Å; L1517-T1520 PolarHBondContact O-OG1 3.25Å; L1517-E1521 PolarHBondContact O-N 2.96Å
1518I83.2Confident72.7Confident1 Ų147.1 Ų47.11%0.00523%0.229CC..Hα-helixtrans-64.2-44.4176.7-61.9164.9000109.4V1339 V1342 L1432 V1433 A1436 V1514 T1520 E1521 L1522V1339-I1518 HydrophobicContact CG1-CD1 3.72Å; V1342-I1518 HydrophobicContact CG1-CG2 3.85Å; V1342-I1518 HydrophobicContact CG2-CB 3.94Å; V1342-I1518 HydrophobicContact CG2-CG2 3.91Å; L1432-I1518 HydrophobicContact CB-CG1 4.33Å; V1433-I1518 HydrophobicContact CG2-CD1 3.89Å; A1436-I1518 HydrophobicContact CB-CD1 4.22Å; A1436-I1518 HydrophobicContact CB-CG1 4.22Å; V1514-I1518 HydrophobicContact CG1-CD1 3.89Å; V1514-I1518 WeakPolarHBondContact O-CG1 3.28Å; V1514-I1518 PolarHBondContact O-N 2.64Å; V1514-I1518 VanDerWaalsContact O-N 3.13Å; I1518-T1520 VanDerWaalsContact C-N 3.28Å; I1518-T1520 PolarHBondContact O-N 2.9Å; I1518-E1521 PolarHBondContact O-N 3.17Å; I1518-E1521 VanDerWaalsContact O-N 3.13Å; I1518-L1522 HydrophobicContact CG2-CD1 4.22Å; I1518-L1522 HydrophobicContact CG2-CG 4.11Å; I1518-L1522 WeakPolarHBondContact O-CG 3.29Å; I1518-L1522 PolarHBondContact O-N 2.97Å
1519A82.1Confident75.2Confident5 Ų540.5 Ų40.54%0.04120%0.198CC..Hα-helixtrans-58.2-34.6175.600000113.5F1346 D1515 Q1516 R1523F1346-A1519 HydrophobicContact CE2-CB 3.46Å; F1346-A1519 VanDerWaalsContact CE2-CB 3.46Å; F1346-A1519 HydrophobicContact CZ-CB 3.64Å; F1346-A1519 WeakPolarHBondContact CZ-O 3.33Å; D1515-A1519 WeakPolarHBondContact O-CB 3.45Å; D1515-A1519 PolarHBondContact O-N 2.73Å; Q1516-A1519 PolarHBondContact O-N 3.04Å; A1519-R1523 WeakPolarHBondContact O-CB 3.39Å; A1519-R1523 VanDerWaalsContact O-CG 3.23Å; A1519-R1523 WeakPolarHBondContact O-CG 3.17Å; A1519-R1523 PolarHBondContact O-N 3.07Å; A1519-R1523 VanDerWaalsContact O-N 3.16Å
1520T81Confident77.3Confident68 Ų6837.7 Ų37.742%0.41719%0.186SC..Hα-helixtrans-67.9-44.3173.236.90000112.6Q1516 L1517 I1518 R1523 E1524Q1516-T1520 PolarHBondContact O-N 3.47Å; Q1516-T1520 PolarHBondContact O-OG1 2.85Å; L1517-T1520 WeakPolarHBondContact CA-OG1 3.33Å; L1517-T1520 PolarHBondContact O-N 3.27Å; L1517-T1520 PolarHBondContact O-OG1 3.25Å; I1518-T1520 VanDerWaalsContact C-N 3.28Å; I1518-T1520 PolarHBondContact O-N 2.9Å; T1520-R1523 PolarHBondContact O-N 3.46Å; T1520-E1524 PolarHBondContact O-N 3.04Å
1521E85.3Confident79.3Confident43 Ų4337 Ų3720%0.20118%0.183CC..Hα-helixtrans-64.4-41.8177.5-71.8-90.9155.700112L1432 L1517 I1518 R1523 E1524 I1525 R1548 M1552L1432-E1521 HydrophobicContact CD1-CB 3.78Å; L1432-E1521 HydrophobicContact CD1-CG 4.45Å; L1432-E1521 HydrophobicContact CD2-CB 3.93Å; L1432-E1521 HydrophobicContact CD2-CG 3.65Å; L1517-E1521 PolarHBondContact O-N 2.96Å; I1518-E1521 PolarHBondContact O-N 3.17Å; I1518-E1521 VanDerWaalsContact O-N 3.13Å; E1521-R1523 PolarHBondContact O-N 3.19Å; E1521-E1524 PolarHBondContact O-N 2.83Å; E1521-I1525 WeakPolarHBondContact O-CG1 3.31Å; E1521-I1525 PolarHBondContact O-N 2.84Å; E1521-R1548 IonicContact OE2-CZ 2.67Å; E1521-R1548 IonicContact OE2-NH2 3.48Å; E1521-R1548 PolarHBondContact OE2-NH2 3.11Å; E1521-M1552 VanDerWaalsContact OE2-CE 3.25Å; E1521-M1552 WeakPolarHBondContact OE2-CE 3.46Å
1522L87.8Confident80.9Confident0 Ų036 Ų360%018%0.175CC..Hα-helixtrans-67.4-36177.7-59.8-165.7000112.5V1342 F1346 F1347 W1391 L1429 L1432 I1518 E1524 I1525 Q1526V1342-L1522 HydrophobicContact CG1-CD1 3.67Å; F1346-L1522 HydrophobicContact CB-CD1 4.27Å; F1346-L1522 HydrophobicContact CD1-CB 3.72Å; F1346-L1522 HydrophobicContact CD1-CD1 4.07Å; F1346-L1522 HydrophobicContact CD2-CD1 4.48Å; F1346-L1522 HydrophobicContact CE1-CB 3.64Å; F1346-L1522 HydrophobicContact CG-CB 4.45Å; F1346-L1522 HydrophobicContact CG-CD1 4.01Å; F1346-L1522 HydrophobicContact CZ-CB 4.33Å; F1347-L1522 HydrophobicContact CE2-CD1 3.75Å; F1347-L1522 HydrophobicContact CZ-CD1 4.11Å; W1391-L1522 HydrophobicContact CE3-CD1 4.48Å; W1391-L1522 HydrophobicContact CH2-CB 3.85Å; W1391-L1522 HydrophobicContact CH2-CD1 4.45Å; W1391-L1522 HydrophobicContact CH2-CD2 3.84Å; W1391-L1522 HydrophobicContact CH2-CG 4.23Å; W1391-L1522 HydrophobicContact CZ2-CB 4.37Å; W1391-L1522 WeakPolarHBondContact CZ2-O 3.44Å; W1391-L1522 HydrophobicContact CZ3-CB 4.22Å; W1391-L1522 HydrophobicContact CZ3-CD1 3.97Å; W1391-L1522 HydrophobicContact CZ3-CD2 3.81Å; W1391-L1522 HydrophobicContact CZ3-CG 4.19Å; L1429-L1522 HydrophobicContact CD2-CD1 4.36Å; L1429-L1522 HydrophobicContact CD2-CD2 4.06Å; L1432-L1522 HydrophobicContact CD1-CD2 4.01Å; I1518-L1522 HydrophobicContact CG2-CD1 4.22Å; I1518-L1522 HydrophobicContact CG2-CG 4.11Å; I1518-L1522 WeakPolarHBondContact O-CG 3.29Å; I1518-L1522 PolarHBondContact O-N 2.97Å; L1522-E1524 VanDerWaalsContact C-N 3.32Å; L1522-I1525 HydrophobicContact CD2-CD1 4.19Å; L1522-I1525 PolarHBondContact O-N 3.03Å; L1522-Q1526 PolarHBondContact O-N 3.47Å
1523R85Confident81.8Confident112 Ų11237.2 Ų37.242%0.42319%0.189SC..Hα-helixtrans-65.2-35.8171.9-72.8173.1-166142.52.5111.9E1345 F1346 A1519 T1520 E1521 Q1526 Y1527E1345-R1523 IonicContact OE1-CZ 3.92Å; E1345-R1523 IonicContact OE1-NE 3.16Å; E1345-R1523 IonicContact OE1-NH2 3.22Å; E1345-R1523 PolarHBondContact OE1-NH2 2.79Å; E1345-R1523 IonicContact OE2-NH2 2.73Å; E1345-R1523 PolarHBondContact OE2-NH2 2.79Å; F1346-R1523 HydrophobicContact CE1-CG 3.72Å; F1346-R1523 HydrophobicContact CZ-CG 3.79Å; A1519-R1523 WeakPolarHBondContact O-CB 3.39Å; A1519-R1523 VanDerWaalsContact O-CG 3.23Å; A1519-R1523 WeakPolarHBondContact O-CG 3.17Å; A1519-R1523 PolarHBondContact O-N 3.07Å; A1519-R1523 VanDerWaalsContact O-N 3.16Å; T1520-R1523 PolarHBondContact O-N 3.46Å; E1521-R1523 PolarHBondContact O-N 3.19Å; R1523-Q1526 PolarHBondContact O-N 2.9Å; R1523-Y1527 PolarHBondContact O-N 3.45Å
1524E86.6Confident82.7Confident50 Ų5039.2 Ų39.223%0.23420%0.199CC..Hα-helixtrans-69.7-43.4176.5-157.6-141.8154.400111.8T1520 E1521 L1522 Q1526 Y1527 Q1528 R1548 I1749 L1750T1520-E1524 PolarHBondContact O-N 3.04Å; E1521-E1524 PolarHBondContact O-N 2.83Å; L1522-E1524 VanDerWaalsContact C-N 3.32Å; E1524-Q1526 VanDerWaalsContact C-N 3.28Å; E1524-Q1526 PolarHBondContact O-N 2.94Å; E1524-Y1527 WeakPolarHBondContact O-CA 3.42Å; E1524-Y1527 WeakPolarHBondContact O-CB 3.41Å; E1524-Y1527 PolarHBondContact O-N 3.27Å; E1524-Q1528 WeakPolarHBondContact O-CG 3.5Å; E1524-Q1528 PolarHBondContact O-N 3.02Å; E1524-Q1528 PolarHBondContact OE1-NE2 2.98Å; E1524-R1548 VanDerWaalsContact CD-NH1 3.28Å; E1524-R1548 IonicContact OE1-NH1 3.82Å; E1524-R1548 PolarHBondContact OE1-NH1 2.69Å; E1524-R1548 IonicContact OE2-CZ 3.04Å; E1524-R1548 VanDerWaalsContact OE2-CZ 3.27Å; E1524-R1548 IonicContact OE2-NH1 3.75Å; E1524-R1548 PolarHBondContact OE2-NH1 3.45Å; E1524-R1548 IonicContact OE2-NH2 2.64Å; E1524-R1548 PolarHBondContact OE2-NH2 3.13Å; E1524-I1749 WeakPolarHBondContact OE1-CG2 3.43Å; E1524-L1750 HydrophobicContact CG-CD2 3.78Å
1525I89.1Confident83.3Confident1 Ų140.7 Ų40.71%0.00521%0.21CC..Hα-helixtrans-55.8-45.3172.4-68.7167.8000110.6L1390 W1391 I1428 E1521 L1522 Y1527 Q1528 I1529 L1545L1390-I1525 HydrophobicContact CD2-CG2 3.93Å; W1391-I1525 HydrophobicContact CH2-CB 4.24Å; W1391-I1525 HydrophobicContact CH2-CG2 4Å; W1391-I1525 HydrophobicContact CZ2-CB 4.42Å; W1391-I1525 HydrophobicContact CZ2-CG2 4.16Å; I1428-I1525 HydrophobicContact CG2-CD1 3.87Å; E1521-I1525 WeakPolarHBondContact O-CG1 3.31Å; E1521-I1525 PolarHBondContact O-N 2.84Å; L1522-I1525 HydrophobicContact CD2-CD1 4.19Å; L1522-I1525 PolarHBondContact O-N 3.03Å; I1525-Y1527 VanDerWaalsContact C-N 3.31Å; I1525-Y1527 PolarHBondContact O-N 2.86Å; I1525-Q1528 PolarHBondContact O-N 3.35Å; I1525-I1529 HydrophobicContact CG2-CD1 3.83Å; I1525-I1529 WeakPolarHBondContact O-CG1 3.29Å; I1525-I1529 PolarHBondContact O-N 3.35Å; I1525-L1545 HydrophobicContact CG2-CD2 3.83Å
1526Q87.3Confident83.8Confident7 Ų742.6 Ų42.63%0.03322%0.221CC..Hα-helixtrans-63.8-34.8175.8-178.359.561.900112.8W1391 L1522 R1523 E1524 N1530W1391-Q1526 HydrophobicContact CZ2-CB 4.21Å; L1522-Q1526 PolarHBondContact O-N 3.47Å; R1523-Q1526 PolarHBondContact O-N 2.9Å; E1524-Q1526 VanDerWaalsContact C-N 3.28Å; E1524-Q1526 PolarHBondContact O-N 2.94Å; Q1526-N1530 PolarHBondContact NE2-OD1 3.1Å; Q1526-N1530 PolarHBondContact O-N 2.94Å; Q1526-N1530 PolarHBondContact O-OD1 3.34Å
1527Y86.7Confident84.4Confident82 Ų8241.5 Ų41.532%0.32222%0.218SC..Hα-helixtrans-65.1-48.3175-171.9-77.7000110.9F1369 R1523 E1524 I1525 N1530 H1531 L1750F1369-Y1527 HydrophobicContact CD1-CD2 4.3Å; F1369-Y1527 HydrophobicContact CE1-CD2 4.13Å; F1369-Y1527 HydrophobicContact CE1-CG 4.49Å; R1523-Y1527 PolarHBondContact O-N 3.45Å; E1524-Y1527 WeakPolarHBondContact O-CA 3.42Å; E1524-Y1527 WeakPolarHBondContact O-CB 3.41Å; E1524-Y1527 PolarHBondContact O-N 3.27Å; I1525-Y1527 VanDerWaalsContact C-N 3.31Å; I1525-Y1527 PolarHBondContact O-N 2.86Å; Y1527-N1530 PolarHBondContact O-N 2.93Å; Y1527-H1531 AromaticContact CD1-CE1 3.73Å; Y1527-H1531 AromaticContact CD1-ND1 3.49Å; Y1527-H1531 WeakPolarHBondContact CD1-ND1 3.34Å; Y1527-H1531 AromaticContact CE1-CE1 3.19Å; Y1527-H1531 WeakPolarHBondContact CE1-CE1 3.25Å; Y1527-H1531 AromaticContact CE1-CG 3.86Å; Y1527-H1531 AromaticContact CE1-ND1 3.3Å; Y1527-H1531 VanDerWaalsContact CE1-ND1 3.3Å; Y1527-H1531 WeakPolarHBondContact CE1-ND1 3.3Å; Y1527-H1531 AromaticContact CE1-NE2 3.67Å; Y1527-H1531 AromaticContact CE2-CE1 3.69Å; Y1527-H1531 AromaticContact CZ-CE1 3.18Å; Y1527-H1531 AromaticContact CZ-ND1 3.81Å; Y1527-H1531 AromaticContact CZ-NE2 3.56Å; Y1527-H1531 PolarHBondContact O-N 3.4Å; Y1527-H1531 PolarHBondContact O-ND1 3.26Å; Y1527-H1531 PolarHBondContact OH-CE1 2.96Å; Y1527-H1531 PolarHBondContact OH-NE2 2.81Å; Y1527-L1750 HydrophobicContact CD1-CB 4.11Å; Y1527-L1750 HydrophobicContact CD1-CD2 3.89Å; Y1527-L1750 HydrophobicContact CE1-CB 3.75Å; Y1527-L1750 HydrophobicContact CE1-CD2 4.3Å; Y1527-L1750 HydrophobicContact CE1-CG 4.47Å; Y1527-L1750 HydrophobicContact CG-CD2 4.48Å
1528Q88.5Confident85.1Confident0 Ų039.5 Ų39.50%021%0.208CC..Hα-helixtrans-61.4-44.3-179.2-68.7175.9-10.900112.5E1524 I1525 N1530 H1531 L1532 L1544 I1749 P1753 Y1757E1524-Q1528 WeakPolarHBondContact O-CG 3.5Å; E1524-Q1528 PolarHBondContact O-N 3.02Å; E1524-Q1528 PolarHBondContact OE1-NE2 2.98Å; I1525-Q1528 PolarHBondContact O-N 3.35Å; Q1528-N1530 VanDerWaalsContact C-N 3.28Å; Q1528-N1530 PolarHBondContact O-N 3.23Å; Q1528-H1531 CarbonylContact O-C 3.51Å; Q1528-H1531 PolarHBondContact O-N 3.1Å; Q1528-L1532 PolarHBondContact O-N 2.97Å; Q1528-L1544 HydrophobicContact CB-CD1 4.46Å; Q1528-L1544 HydrophobicContact CB-CD2 3.98Å; Q1528-I1749 VanDerWaalsContact NE2-CG2 3.32Å; Q1528-I1749 PolarHBondContact NE2-O 2.79Å; Q1528-P1753 HydrophobicContact CB-CB 4.09Å; Q1528-P1753 HydrophobicContact CB-CG 4.22Å; Q1528-P1753 HydrophobicContact CG-CB 4.08Å; Q1528-Y1757 PolarHBondContact NE2-OH 2.9Å; Q1528-Y1757 PolarHBondContact OE1-OH 3.13Å
1529I86.5Confident85.5Confident1 Ų143.2 Ų43.21%0.00523%0.225CC..Hα-helixtrans-57.7-42.9177.3-71.1166.1000111F1387 L1390 I1525 H1531 L1532 S1535 I1541 L1544F1387-I1529 HydrophobicContact CE1-CG2 4.14Å; L1390-I1529 HydrophobicContact CD2-CD1 3.74Å; I1525-I1529 HydrophobicContact CG2-CD1 3.83Å; I1525-I1529 WeakPolarHBondContact O-CG1 3.29Å; I1525-I1529 PolarHBondContact O-N 3.35Å; I1529-H1531 PolarHBondContact O-N 3.45Å; I1529-L1532 WeakPolarHBondContact O-CB 3.13Å; I1529-L1532 PolarHBondContact O-N 3Å; I1529-S1535 WeakPolarHBondContact O-CB 3.34Å; I1529-I1541 HydrophobicContact CG2-CD1 4.06Å; I1529-I1541 HydrophobicContact CG2-CG1 4.27Å; I1529-L1544 HydrophobicContact CG1-CD2 3.76Å
1530N84.2Confident85.9Confident42 Ų4244.8 Ų44.823%0.22523%0.232CC..THydrogen-bonded Turntrans-73.5-7.2179.3-71.115.2000113.9F1369 Q1526 Y1527 Q1528F1369-N1530 HydrophobicContact CD1-CB 4.43Å; F1369-N1530 HydrophobicContact CE1-CB 3.43Å; F1369-N1530 VanDerWaalsContact CE1-CB 3.43Å; F1369-N1530 VanDerWaalsContact CE1-ND2 3.33Å; F1369-N1530 WeakPolarHBondContact CE1-ND2 3.46Å; F1369-N1530 HydrophobicContact CE2-CB 4.42Å; F1369-N1530 HydrophobicContact CZ-CB 3.42Å; F1369-N1530 VanDerWaalsContact CZ-CB 3.42Å; F1369-N1530 VanDerWaalsContact CZ-ND2 3.35Å; F1369-N1530 WeakPolarHBondContact CZ-ND2 3.43Å; Q1526-N1530 PolarHBondContact NE2-OD1 3.1Å; Q1526-N1530 PolarHBondContact O-N 2.94Å; Q1526-N1530 PolarHBondContact O-OD1 3.34Å; Y1527-N1530 PolarHBondContact O-N 2.93Å; Q1528-N1530 VanDerWaalsContact C-N 3.28Å; Q1528-N1530 PolarHBondContact O-N 3.23Å
1531H84.8Confident86.4Confident66 Ų6641.6 Ų41.631%0.30621%0.212SC..THydrogen-bonded Turntrans-109.911.8174.3-69.376.2000112.6F1369 Y1527 Q1528 I1529F1369-H1531 AromaticContact CZ-CE1 4Å; Y1527-H1531 AromaticContact CD1-CE1 3.73Å; Y1527-H1531 AromaticContact CD1-ND1 3.49Å; Y1527-H1531 WeakPolarHBondContact CD1-ND1 3.34Å; Y1527-H1531 AromaticContact CE1-CE1 3.19Å; Y1527-H1531 WeakPolarHBondContact CE1-CE1 3.25Å; Y1527-H1531 AromaticContact CE1-CG 3.86Å; Y1527-H1531 AromaticContact CE1-ND1 3.3Å; Y1527-H1531 VanDerWaalsContact CE1-ND1 3.3Å; Y1527-H1531 WeakPolarHBondContact CE1-ND1 3.3Å; Y1527-H1531 AromaticContact CE1-NE2 3.67Å; Y1527-H1531 AromaticContact CE2-CE1 3.69Å; Y1527-H1531 AromaticContact CZ-CE1 3.18Å; Y1527-H1531 AromaticContact CZ-ND1 3.81Å; Y1527-H1531 AromaticContact CZ-NE2 3.56Å; Y1527-H1531 PolarHBondContact O-N 3.4Å; Y1527-H1531 PolarHBondContact O-ND1 3.26Å; Y1527-H1531 PolarHBondContact OH-CE1 2.96Å; Y1527-H1531 PolarHBondContact OH-NE2 2.81Å; Q1528-H1531 CarbonylContact O-C 3.51Å; Q1528-H1531 PolarHBondContact O-N 3.1Å; I1529-H1531 PolarHBondContact O-N 3.45Å
1532L86.4Confident86.7Confident12 Ų1240.1 Ų40.16%0.06321%0.205CC..SBendtrans-69.2145.7169.8-71.5174.8000111.3Q1528 I1529 N1534 Q1540 I1541 L1544 P1753 I1754Q1528-L1532 PolarHBondContact O-N 2.97Å; I1529-L1532 WeakPolarHBondContact O-CB 3.13Å; I1529-L1532 PolarHBondContact O-N 3Å; L1532-N1534 PolarHBondContact O-N 3.28Å; L1532-Q1540 HydrophobicContact CD1-CB 4.32Å; L1532-I1541 HydrophobicContact CD1-CB 4.49Å; L1532-I1541 HydrophobicContact CD1-CG1 3.54Å; L1532-L1544 HydrophobicContact CD1-CD2 3.95Å; L1532-L1544 HydrophobicContact CD2-CB 4.42Å; L1532-L1544 HydrophobicContact CD2-CD2 4.08Å; L1532-L1544 HydrophobicContact CG-CD2 4.13Å; L1532-P1753 HydrophobicContact CD2-CG 4.12Å; L1532-I1754 HydrophobicContact CD2-CD1 3.6Å; L1532-I1754 HydrophobicContact CD2-CG1 3.87Å
1533P80.6Confident86.9Confident125 Ų12543.9 Ų43.981%0.81222%0.223SC*.THydrogen-bonded Turntrans-54.3-34.4176.4-27.135.2000113.8
1534N81.7Confident87.3Confident68 Ų6838.6 Ų38.636%0.36420%0.203SC..THydrogen-bonded Turntrans-129.8105.5158.9-173.610000111.1L1532 T1536 D1537L1532-N1534 PolarHBondContact O-N 3.28Å; N1534-T1536 PolarHBondContact O-N 3.29Å; N1534-T1536 PolarHBondContact OD1-N 3.14Å; N1534-T1536 VanDerWaalsContact OD1-N 3.16Å; N1534-T1536 PolarHBondContact OD1-OG1 3.21Å; N1534-T1536 VanDerWaalsContact OD1-OG1 3.07Å; N1534-D1537 HydrophobicContact CB-CB 3.98Å; N1534-D1537 PolarHBondContact O-N 2.8Å
1535S81Confident87.6Confident51 Ų5136.2 Ų36.236%0.35719%0.192SC..THydrogen-bonded Turntrans-72-7.8178.967.90000115.4I1529I1529-S1535 WeakPolarHBondContact O-CB 3.34Å
1536T83.7Confident87.8Confident44 Ų4438 Ų3827%0.2720%0.203SC..THydrogen-bonded Turntrans-98.1-6.2171.865.90000113.6E1386 F1387 N1534 P1538E1386-T1536 CarbonylContact C-O 3.49Å; E1386-T1536 WeakPolarHBondContact CA-O 3.49Å; F1387-T1536 PolarHBondContact N-O 2.93Å; N1534-T1536 PolarHBondContact O-N 3.29Å; N1534-T1536 PolarHBondContact OD1-N 3.14Å; N1534-T1536 VanDerWaalsContact OD1-N 3.16Å; N1534-T1536 PolarHBondContact OD1-OG1 3.21Å; N1534-T1536 VanDerWaalsContact OD1-OG1 3.07Å; T1536-P1538 WeakPolarHBondContact O-CD 3.23Å
1537D87.8Confident88Confident45 Ų4538.2 Ų38.224%0.24120%0.204CC..  trans-77.7114.8179.5179.3-15.2000111.3N1534 E1539 Q1540 I1541N1534-D1537 HydrophobicContact CB-CB 3.98Å; N1534-D1537 PolarHBondContact O-N 2.8Å; D1537-E1539 PolarHBondContact O-N 3.29Å; D1537-E1539 PolarHBondContact OD1-N 3.06Å; D1537-Q1540 HydrophobicContact CB-CB 4.08Å; D1537-Q1540 HydrophobicContact CB-CG 4.23Å; D1537-Q1540 PolarHBondContact O-N 2.98Å; D1537-Q1540 PolarHBondContact OD1-N 3.45Å; D1537-Q1540 WeakPolarHBondContact OD2-CG 3.47Å; D1537-Q1540 PolarHBondContact OD2-NE2 3.4Å; D1537-I1541 WeakPolarHBondContact O-CG1 3.41Å; D1537-I1541 PolarHBondContact O-N 3.01Å
1538P88.9Confident88.3Confident6 Ų634.6 Ų34.64%0.03919%0.19CC..Hα-helixtrans-68.6-30.1-178.528.4-34.4000113.5L1380 T1385 F1387 L1417 I1421 T1536 I1541 I1542L1380-P1538 HydrophobicContact CD2-CB 4.25Å; T1385-P1538 WeakPolarHBondContact O-CD 3.42Å; T1385-P1538 WeakPolarHBondContact O-CG 3.32Å; F1387-P1538 HydrophobicContact CB-CB 4.44Å; L1417-P1538 HydrophobicContact CD1-CB 4.46Å; L1417-P1538 HydrophobicContact CD1-CG 3.89Å; L1417-P1538 HydrophobicContact CD2-CB 4.39Å; L1417-P1538 HydrophobicContact CD2-CG 4.34Å; I1421-P1538 HydrophobicContact CD1-CB 4.18Å; T1536-P1538 WeakPolarHBondContact O-CD 3.23Å; P1538-I1541 PolarHBondContact O-N 3.3Å; P1538-I1542 WeakPolarHBondContact O-CB 3.24Å; P1538-I1542 WeakPolarHBondContact O-CD1 3.49Å; P1538-I1542 WeakPolarHBondContact O-CG1 3.21Å; P1538-I1542 PolarHBondContact O-N 2.69Å
1539E91.2Very high88.5Confident79 Ų7935 Ų3537%0.36919%0.191SC..Hα-helixtrans-76.3-33.9178.9-71.2-78.2-146.300111.4L1417 R1420 D1537 I1541 I1542 Q1543L1417-E1539 HydrophobicContact CD2-CG 3.53Å; R1420-E1539 IonicContact NH1-OE1 2.68Å; R1420-E1539 PolarHBondContact NH1-OE1 3.02Å; R1420-E1539 IonicContact NH1-OE2 2.78Å; R1420-E1539 PolarHBondContact NH1-OE2 2.91Å; R1420-E1539 VanDerWaalsContact NH1-OE2 3.11Å; D1537-E1539 PolarHBondContact O-N 3.29Å; D1537-E1539 PolarHBondContact OD1-N 3.06Å; E1539-I1541 VanDerWaalsContact C-N 3.29Å; E1539-I1541 PolarHBondContact O-N 3.37Å; E1539-I1542 PolarHBondContact O-N 3.33Å; E1539-I1542 VanDerWaalsContact OE2-CD1 3.3Å; E1539-I1542 WeakPolarHBondContact OE2-CD1 3.04Å; E1539-Q1543 WeakPolarHBondContact O-CB 3.32Å; E1539-Q1543 PolarHBondContact O-N 3.34Å
1540Q90Very high88.8Confident39 Ų3936.3 Ų36.318%0.18220%0.198CC..Hα-helixtrans-61.5-38.5169.3-79.717764.100111.8L1532 D1537 Q1543 L1544L1532-Q1540 HydrophobicContact CD1-CB 4.32Å; D1537-Q1540 HydrophobicContact CB-CB 4.08Å; D1537-Q1540 HydrophobicContact CB-CG 4.23Å; D1537-Q1540 PolarHBondContact O-N 2.98Å; D1537-Q1540 PolarHBondContact OD1-N 3.45Å; D1537-Q1540 WeakPolarHBondContact OD2-CG 3.47Å; D1537-Q1540 PolarHBondContact OD2-NE2 3.4Å; Q1540-Q1543 PolarHBondContact O-N 2.93Å; Q1540-L1544 WeakPolarHBondContact O-CB 3.4Å; Q1540-L1544 PolarHBondContact O-N 3.1Å
1541I90.5Very high89.2Confident0 Ų034.7 Ų34.70%019%0.189CC..Hα-helixtrans-70.1-39.5175.6-67.1168000111.1F1387 I1529 L1532 D1537 P1538 E1539 L1544 L1545F1387-I1541 HydrophobicContact CB-CD1 3.81Å; F1387-I1541 HydrophobicContact CD1-CD1 3.21Å; F1387-I1541 HydrophobicContact CD2-CD1 3.93Å; F1387-I1541 HydrophobicContact CE1-CD1 3.63Å; F1387-I1541 HydrophobicContact CE2-CD1 4.27Å; F1387-I1541 HydrophobicContact CG-CD1 3.37Å; F1387-I1541 HydrophobicContact CZ-CD1 4.12Å; I1529-I1541 HydrophobicContact CG2-CD1 4.06Å; I1529-I1541 HydrophobicContact CG2-CG1 4.27Å; L1532-I1541 HydrophobicContact CD1-CB 4.49Å; L1532-I1541 HydrophobicContact CD1-CG1 3.54Å; D1537-I1541 WeakPolarHBondContact O-CG1 3.41Å; D1537-I1541 PolarHBondContact O-N 3.01Å; P1538-I1541 PolarHBondContact O-N 3.3Å; E1539-I1541 VanDerWaalsContact C-N 3.29Å; E1539-I1541 PolarHBondContact O-N 3.37Å; I1541-L1544 PolarHBondContact O-N 2.91Å; I1541-L1545 HydrophobicContact CG2-CD1 3.84Å; I1541-L1545 HydrophobicContact CG2-CG 4.28Å; I1541-L1545 WeakPolarHBondContact O-CB 3.45Å; I1541-L1545 VanDerWaalsContact O-CG 3.3Å; I1541-L1545 WeakPolarHBondContact O-CG 3.02Å; I1541-L1545 PolarHBondContact O-N 3.39Å
1542I92Very high89.6Confident12 Ų1232.1 Ų32.16%0.06218%0.177CC..Hα-helixtrans-62.4-43.2173.1-72.1159.6000110.8L1417 R1420 I1421 P1538 E1539 T1546L1417-I1542 HydrophobicContact CB-CD1 4.32Å; L1417-I1542 HydrophobicContact CD2-CD1 3.63Å; R1420-I1542 HydrophobicContact CB-CD1 3.71Å; R1420-I1542 HydrophobicContact CB-CG1 3.89Å; R1420-I1542 HydrophobicContact CB-CG2 4.02Å; I1421-I1542 HydrophobicContact CD1-CD1 4.5Å; I1421-I1542 HydrophobicContact CD1-CG1 4.43Å; I1421-I1542 HydrophobicContact CG1-CD1 3.97Å; I1421-I1542 HydrophobicContact CG1-CG1 3.54Å; P1538-I1542 WeakPolarHBondContact O-CB 3.24Å; P1538-I1542 WeakPolarHBondContact O-CD1 3.49Å; P1538-I1542 WeakPolarHBondContact O-CG1 3.21Å; P1538-I1542 PolarHBondContact O-N 2.69Å; E1539-I1542 PolarHBondContact O-N 3.33Å; E1539-I1542 VanDerWaalsContact OE2-CD1 3.3Å; E1539-I1542 WeakPolarHBondContact OE2-CD1 3.04Å; I1542-T1546 WeakPolarHBondContact O-CB 3.35Å; I1542-T1546 PolarHBondContact O-N 3.17Å; I1542-T1546 PolarHBondContact O-OG1 2.88Å
1543Q92.3Very high89.9Confident79 Ų7932 Ų3237%0.36918%0.176SC..Hα-helixtrans-60.6-50.6175.1-177.11773.500110.6E1539 Q1540 L1545 T1546 L1547 I1754 E1758E1539-Q1543 WeakPolarHBondContact O-CB 3.32Å; E1539-Q1543 PolarHBondContact O-N 3.34Å; Q1540-Q1543 PolarHBondContact O-N 2.93Å; Q1543-L1545 PolarHBondContact O-N 3.34Å; Q1543-T1546 PolarHBondContact O-N 3.5Å; Q1543-L1547 HydrophobicContact CG-CD1 3.85Å; Q1543-L1547 HydrophobicContact CG-CG 4.44Å; Q1543-L1547 WeakPolarHBondContact O-CB 3.31Å; Q1543-L1547 VanDerWaalsContact O-CG 3.27Å; Q1543-L1547 WeakPolarHBondContact O-CG 3.49Å; Q1543-L1547 PolarHBondContact O-N 3.49Å; Q1543-I1754 HydrophobicContact CG-CD1 4.42Å; Q1543-I1754 HydrophobicContact CG-CG2 4.23Å; Q1543-E1758 PolarHBondContact NE2-OE1 2.79Å
1544L93.1Very high90.4Very high1 Ų126.2 Ų26.21%0.00514%0.138CC..Hα-helixtrans-54.9-54.2176.8173.459.7000112.4Q1528 I1529 L1532 Q1540 I1541 T1546 L1547 R1548 P1753 I1754 Y1757Q1528-L1544 HydrophobicContact CB-CD1 4.46Å; Q1528-L1544 HydrophobicContact CB-CD2 3.98Å; I1529-L1544 HydrophobicContact CG1-CD2 3.76Å; L1532-L1544 HydrophobicContact CD1-CD2 3.95Å; L1532-L1544 HydrophobicContact CD2-CB 4.42Å; L1532-L1544 HydrophobicContact CD2-CD2 4.08Å; L1532-L1544 HydrophobicContact CG-CD2 4.13Å; Q1540-L1544 WeakPolarHBondContact O-CB 3.4Å; Q1540-L1544 PolarHBondContact O-N 3.1Å; I1541-L1544 PolarHBondContact O-N 2.91Å; L1544-T1546 PolarHBondContact O-N 2.92Å; L1544-L1547 PolarHBondContact O-N 3.18Å; L1544-R1548 WeakPolarHBondContact O-CB 3.36Å; L1544-R1548 PolarHBondContact O-N 2.88Å; L1544-P1753 HydrophobicContact CD1-CB 3.72Å; L1544-P1753 HydrophobicContact CD1-CG 4.2Å; L1544-I1754 HydrophobicContact CB-CG1 4.31Å; L1544-Y1757 HydrophobicContact CD1-CD2 3.88Å; L1544-Y1757 HydrophobicContact CD1-CE2 3.83Å
1545L93.8Very high90.9Very high1 Ų124.2 Ų24.21%0.00513%0.127CC..Hα-helixtrans-67.1-36.7-178.1-66.1174.7000111.7L1390 A1424 I1428 I1525 I1541 Q1543 R1549L1390-L1545 HydrophobicContact CD1-CD1 3.97Å; L1390-L1545 HydrophobicContact CD2-CD1 4.24Å; L1390-L1545 HydrophobicContact CD2-CD2 4.26Å; A1424-L1545 HydrophobicContact CB-CB 3.76Å; I1428-L1545 HydrophobicContact CD1-CB 4.28Å; I1428-L1545 HydrophobicContact CD1-CD2 3.95Å; I1525-L1545 HydrophobicContact CG2-CD2 3.83Å; I1541-L1545 HydrophobicContact CG2-CD1 3.84Å; I1541-L1545 HydrophobicContact CG2-CG 4.28Å; I1541-L1545 WeakPolarHBondContact O-CB 3.45Å; I1541-L1545 VanDerWaalsContact O-CG 3.3Å; I1541-L1545 WeakPolarHBondContact O-CG 3.02Å; I1541-L1545 PolarHBondContact O-N 3.39Å; Q1543-L1545 PolarHBondContact O-N 3.34Å; L1545-R1549 WeakPolarHBondContact O-CB 3.45Å; L1545-R1549 PolarHBondContact O-N 3.21Å
1546T92.4Very high91.4Very high39 Ų3922 Ų2224%0.23911%0.111CC..Hα-helixtrans-68.1-43.3177.7-58.40000111.4I1542 Q1543 L1544 R1549 E1550I1542-T1546 WeakPolarHBondContact O-CB 3.35Å; I1542-T1546 PolarHBondContact O-N 3.17Å; I1542-T1546 PolarHBondContact O-OG1 2.88Å; Q1543-T1546 PolarHBondContact O-N 3.5Å; L1544-T1546 PolarHBondContact O-N 2.92Å; T1546-R1549 WeakPolarHBondContact O-CB 3.32Å; T1546-R1549 PolarHBondContact O-N 3.24Å; T1546-E1550 HydrophobicContact CG2-CG 4.49Å; T1546-E1550 WeakPolarHBondContact O-CB 3.42Å; T1546-E1550 WeakPolarHBondContact O-CG 3.34Å; T1546-E1550 PolarHBondContact O-N 2.88Å
1547L92.4Very high91.6Very high11 Ų1120.8 Ų20.86%0.05810%0.102CC..Hα-helixtrans-63.1-48.2174.9-73.1169.8000111.4Q1543 L1544 R1549 E1550 I1551 I1754 E1758 K1761Q1543-L1547 HydrophobicContact CG-CD1 3.85Å; Q1543-L1547 HydrophobicContact CG-CG 4.44Å; Q1543-L1547 WeakPolarHBondContact O-CB 3.31Å; Q1543-L1547 VanDerWaalsContact O-CG 3.27Å; Q1543-L1547 WeakPolarHBondContact O-CG 3.49Å; Q1543-L1547 PolarHBondContact O-N 3.49Å; L1544-L1547 PolarHBondContact O-N 3.18Å; L1547-R1549 VanDerWaalsContact C-N 3.33Å; L1547-R1549 PolarHBondContact O-N 2.9Å; L1547-E1550 PolarHBondContact O-N 3.15Å; L1547-I1551 WeakPolarHBondContact O-CB 3.22Å; L1547-I1551 WeakPolarHBondContact O-CD1 3.41Å; L1547-I1551 VanDerWaalsContact O-CG1 3.22Å; L1547-I1551 WeakPolarHBondContact O-CG1 3.4Å; L1547-I1551 PolarHBondContact O-N 3.2Å; L1547-I1754 HydrophobicContact CD1-CG2 3.98Å; L1547-E1758 HydrophobicContact CD1-CG 3.73Å; L1547-E1758 HydrophobicContact CD2-CG 4.04Å; L1547-K1761 HydrophobicContact CD2-CD 3.89Å
1548R92.8Very high91.8Very high6 Ų618.7 Ų18.72%0.0239%0.091CC..Hα-helixtrans-57.6-45177-173.1173.5179.9122.27.3111.5E1521 E1524 L1544 I1551 M1552 Y1757E1521-R1548 IonicContact OE2-CZ 2.67Å; E1521-R1548 IonicContact OE2-NH2 3.48Å; E1521-R1548 PolarHBondContact OE2-NH2 3.11Å; E1524-R1548 VanDerWaalsContact CD-NH1 3.28Å; E1524-R1548 IonicContact OE1-NH1 3.82Å; E1524-R1548 PolarHBondContact OE1-NH1 2.69Å; E1524-R1548 IonicContact OE2-CZ 3.04Å; E1524-R1548 VanDerWaalsContact OE2-CZ 3.27Å; E1524-R1548 IonicContact OE2-NH1 3.75Å; E1524-R1548 PolarHBondContact OE2-NH1 3.45Å; E1524-R1548 IonicContact OE2-NH2 2.64Å; E1524-R1548 PolarHBondContact OE2-NH2 3.13Å; L1544-R1548 WeakPolarHBondContact O-CB 3.36Å; L1544-R1548 PolarHBondContact O-N 2.88Å; R1548-I1551 PolarHBondContact O-N 2.87Å; R1548-M1552 HydrophobicContact CG-CE 4.13Å; R1548-M1552 HydrophobicContact CG-SD 4.41Å; R1548-M1552 WeakPolarHBondContact O-CB 3.45Å; R1548-M1552 WeakPolarHBondContact O-CG 3.19Å; R1548-M1552 PolarHBondContact O-N 3.23Å; R1548-Y1757 HydrophobicContact CB-CD2 4.42Å; R1548-Y1757 HydrophobicContact CB-CE2 3.85Å; R1548-Y1757 WeakPolarHBondContact CD-OH 3.35Å; R1548-Y1757 HydrophobicContact CG-CE2 4.15Å; R1548-Y1757 PolarHBondContact NH1-OH 3.04Å
1549R93.2Very high91.8Very high7 Ų718.5 Ų18.53%0.0269%0.09CC..Hα-helixtrans-57.7-52.1173.3174.7-163.7174.4-88.1-0.5112.2Q68 D1427 I1428 L1545 T1546 L1547 I1551 M1552 F1553Q68-R1549 VanDerWaalsContact O-CZ 3.29Å; Q68-R1549 PolarHBondContact O-NH1 3.12Å; Q68-R1549 PolarHBondContact O-NH2 3.3Å; D1427-R1549 HydrophobicContact CB-CG 4.03Å; D1427-R1549 IonicContact OD2-CZ 3.31Å; D1427-R1549 IonicContact OD2-NE 2.69Å; D1427-R1549 PolarHBondContact OD2-NE 2.87Å; D1427-R1549 IonicContact OD2-NH2 3.38Å; D1427-R1549 PolarHBondContact OD2-NH2 3.18Å; I1428-R1549 HydrophobicContact CD1-CB 4.43Å; I1428-R1549 HydrophobicContact CG1-CB 4.02Å; L1545-R1549 WeakPolarHBondContact O-CB 3.45Å; L1545-R1549 PolarHBondContact O-N 3.21Å; T1546-R1549 WeakPolarHBondContact O-CB 3.32Å; T1546-R1549 PolarHBondContact O-N 3.24Å; L1547-R1549 VanDerWaalsContact C-N 3.33Å; L1547-R1549 PolarHBondContact O-N 2.9Å; R1549-I1551 VanDerWaalsContact C-N 3.28Å; R1549-I1551 PolarHBondContact O-N 3.16Å; R1549-M1552 WeakPolarHBondContact O-CB 3.44Å; R1549-M1552 PolarHBondContact O-N 2.94Å; R1549-F1553 HydrophobicContact CG-CD2 3.99Å; R1549-F1553 HydrophobicContact CG-CE2 3.75Å; R1549-F1553 WeakPolarHBondContact O-CD2 3.1Å; R1549-F1553 PolarHBondContact O-N 2.99Å; R1549-F1553 VanDerWaalsContact O-N 3.16Å
1550E92.8Very high91.7Very high29 Ų2914.9 Ų14.914%0.1367%0.073CC..Hα-helixtrans-61-39.2-179-76.3177.814200111.9P67 T1546 L1547 F1553 L1554 K1761P67-E1550 HydrophobicContact CG-CB 4.28Å; P67-E1550 HydrophobicContact CG-CG 4.44Å; P67-E1550 WeakPolarHBondContact CG-O 3.48Å; T1546-E1550 HydrophobicContact CG2-CG 4.49Å; T1546-E1550 WeakPolarHBondContact O-CB 3.42Å; T1546-E1550 WeakPolarHBondContact O-CG 3.34Å; T1546-E1550 PolarHBondContact O-N 2.88Å; L1547-E1550 PolarHBondContact O-N 3.15Å; E1550-F1553 PolarHBondContact O-N 2.64Å; E1550-L1554 WeakPolarHBondContact O-CB 3.38Å; E1550-L1554 WeakPolarHBondContact O-CG 3.14Å; E1550-L1554 PolarHBondContact O-N 3.38Å; E1550-K1761 VanDerWaalsContact CD-NZ 3.3Å; E1550-K1761 IonicContact OE1-NZ 2.72Å; E1550-K1761 PolarHBondContact OE1-NZ 2.85Å; E1550-K1761 WeakPolarHBondContact OE2-CE 3.32Å; E1550-K1761 IonicContact OE2-NZ 2.71Å; E1550-K1761 PolarHBondContact OE2-NZ 2.85Å
1551I92.6Very high91.5Very high9 Ų914.8 Ų14.85%0.0467%0.071CC..Hα-helixtrans-69.2-40.8179.1-70.9163.5000111.2L1547 R1548 R1549 F1553 L1554 K1555 Y1757 I1760 K1761 L1764L1547-I1551 WeakPolarHBondContact O-CB 3.22Å; L1547-I1551 WeakPolarHBondContact O-CD1 3.41Å; L1547-I1551 VanDerWaalsContact O-CG1 3.22Å; L1547-I1551 WeakPolarHBondContact O-CG1 3.4Å; L1547-I1551 PolarHBondContact O-N 3.2Å; R1548-I1551 PolarHBondContact O-N 2.87Å; R1549-I1551 VanDerWaalsContact C-N 3.28Å; R1549-I1551 PolarHBondContact O-N 3.16Å; I1551-F1553 VanDerWaalsContact C-N 3.32Å; I1551-F1553 PolarHBondContact O-N 3.38Å; I1551-L1554 PolarHBondContact O-N 2.91Å; I1551-K1555 WeakPolarHBondContact O-CB 3.38Å; I1551-K1555 PolarHBondContact O-N 3.33Å; I1551-Y1757 VanDerWaalsContact CD1-CB 3.41Å; I1551-Y1757 HydrophobicContact CD1-CD1 3.43Å; I1551-Y1757 VanDerWaalsContact CD1-CD1 3.43Å; I1551-Y1757 HydrophobicContact CD1-CE1 4.4Å; I1551-Y1757 HydrophobicContact CD1-CG 3.67Å; I1551-Y1757 WeakPolarHBondContact CD1-O 3.12Å; I1551-I1760 HydrophobicContact CB-CG2 4.39Å; I1551-I1760 HydrophobicContact CD1-CB 4.17Å; I1551-I1760 HydrophobicContact CD1-CG2 3.93Å; I1551-I1760 HydrophobicContact CG1-CG2 3.99Å; I1551-I1760 HydrophobicContact CG2-CG2 3.52Å; I1551-K1761 HydrophobicContact CD1-CB 4.42Å; I1551-K1761 HydrophobicContact CG1-CB 4.27Å; I1551-L1764 HydrophobicContact CG2-CD1 4.04Å
1552M92Very high91.2Very high11 Ų1115.1 Ų15.15%0.0547%0.072CC..Hα-helixtrans-54.2-47.7171.3-79.6173.3168.700111.6I1428 Y1431 L1432 E1521 R1548 R1549 F1556I1428-M1552 HydrophobicContact CG1-SD 4.31Å; I1428-M1552 HydrophobicContact CG2-CE 4.35Å; I1428-M1552 HydrophobicContact CG2-SD 4.19Å; Y1431-M1552 HydrophobicContact CD1-CB 3.92Å; Y1431-M1552 HydrophobicContact CD1-CG 3.95Å; Y1431-M1552 HydrophobicContact CD1-SD 3.77Å; Y1431-M1552 HydrophobicContact CD2-CB 3.99Å; Y1431-M1552 HydrophobicContact CE1-CB 3.72Å; Y1431-M1552 HydrophobicContact CE1-CG 3.74Å; Y1431-M1552 HydrophobicContact CE1-SD 4.14Å; Y1431-M1552 VanDerWaalsContact CE2-C 3.49Å; Y1431-M1552 HydrophobicContact CE2-CB 3.78Å; Y1431-M1552 WeakPolarHBondContact CE2-O 3.35Å; Y1431-M1552 HydrophobicContact CG-CB 4.05Å; Y1431-M1552 HydrophobicContact CG-SD 4.33Å; Y1431-M1552 VanDerWaalsContact CZ-O 3.32Å; Y1431-M1552 PolarHBondContact OH-O 2.88Å; L1432-M1552 HydrophobicContact CD2-CE 3.95Å; L1432-M1552 HydrophobicContact CG-CE 4.41Å; E1521-M1552 VanDerWaalsContact OE2-CE 3.25Å; E1521-M1552 WeakPolarHBondContact OE2-CE 3.46Å; R1548-M1552 HydrophobicContact CG-CE 4.13Å; R1548-M1552 HydrophobicContact CG-SD 4.41Å; R1548-M1552 WeakPolarHBondContact O-CB 3.45Å; R1548-M1552 WeakPolarHBondContact O-CG 3.19Å; R1548-M1552 PolarHBondContact O-N 3.23Å; R1549-M1552 WeakPolarHBondContact O-CB 3.44Å; R1549-M1552 PolarHBondContact O-N 2.94Å; M1552-F1556 WeakPolarHBondContact O-CB 3.46Å; M1552-F1556 PolarHBondContact O-N 3.33Å; M1552-F1556 VanDerWaalsContact O-N 3.1Å
1553F92.4Very high91Very high11 Ų1115.2 Ų15.25%0.0487%0.074CC..Hα-helixtrans-70.1-44.5177.5-73.2-62.5000113.8P67 D1427 Y1431 R1549 E1550 I1551 K1555 F1556 D1557 L1591 I1643 I1647P67-F1553 HydrophobicContact CB-CB 3.84Å; P67-F1553 HydrophobicContact CB-CD2 4.22Å; P67-F1553 HydrophobicContact CB-CG 4.31Å; P67-F1553 HydrophobicContact CG-CB 3.58Å; D1427-F1553 HydrophobicContact CB-CE2 4.36Å; Y1431-F1553 HydrophobicContact CD2-CD1 4.22Å; Y1431-F1553 HydrophobicContact CD2-CE1 4.1Å; R1549-F1553 HydrophobicContact CG-CD2 3.99Å; R1549-F1553 HydrophobicContact CG-CE2 3.75Å; R1549-F1553 WeakPolarHBondContact O-CD2 3.1Å; R1549-F1553 PolarHBondContact O-N 2.99Å; R1549-F1553 VanDerWaalsContact O-N 3.16Å; E1550-F1553 PolarHBondContact O-N 2.64Å; I1551-F1553 VanDerWaalsContact C-N 3.32Å; I1551-F1553 PolarHBondContact O-N 3.38Å; F1553-K1555 PolarHBondContact O-N 3.19Å; F1553-F1556 PolarHBondContact O-N 3.34Å; F1553-D1557 WeakPolarHBondContact O-CB 3.18Å; F1553-D1557 PolarHBondContact O-N 3.45Å; F1553-L1591 HydrophobicContact CD1-CD1 4.47Å; F1553-L1591 HydrophobicContact CD1-CD2 4.47Å; F1553-L1591 HydrophobicContact CE1-CD1 4.44Å; F1553-L1591 HydrophobicContact CE1-CD2 3.89Å; F1553-I1643 HydrophobicContact CE1-CG2 3.92Å; F1553-I1643 HydrophobicContact CZ-CD1 4.19Å; F1553-I1643 HydrophobicContact CZ-CG1 4.36Å; F1553-I1643 HydrophobicContact CZ-CG2 3.73Å; F1553-I1647 HydrophobicContact CE1-CD1 4.22Å
1554L91.8Very high90.8Very high3 Ų311.4 Ų11.42%0.0166%0.056CC..Hα-helixtrans-61.6-42.7177.4-78.5169.5000111.8P67 E1550 I1551 L1558 K1761 L1764 I1765P67-L1554 HydrophobicContact CG-CD2 4.44Å; P67-L1554 HydrophobicContact CG-CG 3.94Å; E1550-L1554 WeakPolarHBondContact O-CB 3.38Å; E1550-L1554 WeakPolarHBondContact O-CG 3.14Å; E1550-L1554 PolarHBondContact O-N 3.38Å; I1551-L1554 PolarHBondContact O-N 2.91Å; L1554-L1558 WeakPolarHBondContact O-CB 3.32Å; L1554-L1558 PolarHBondContact O-N 3.43Å; L1554-K1761 HydrophobicContact CD1-CG 4.2Å; L1554-L1764 HydrophobicContact CB-CB 4.23Å; L1554-L1764 HydrophobicContact CB-CD1 3.92Å; L1554-L1764 HydrophobicContact CD1-CB 4.49Å; L1554-I1765 HydrophobicContact CD1-CG1 4.3Å
1555K92Very high90.6Very high26 Ų2611.5 Ų11.511%0.1136%0.057CC..Hα-helixtrans-62.5-43176.5-171.2-178.866.3-179.30111.2I1551 F1553 C1559 L1666 M1669 N1670 L1673 L1764I1551-K1555 WeakPolarHBondContact O-CB 3.38Å; I1551-K1555 PolarHBondContact O-N 3.33Å; F1553-K1555 PolarHBondContact O-N 3.19Å; K1555-C1559 WeakPolarHBondContact O-CB 3.36Å; K1555-C1559 PolarHBondContact O-N 2.87Å; K1555-L1666 HydrophobicContact CD-CD1 4.28Å; K1555-L1666 HydrophobicContact CD-CG 4.47Å; K1555-L1666 HydrophobicContact CG-CD1 3.92Å; K1555-M1669 HydrophobicContact CD-CG 4.29Å; K1555-M1669 HydrophobicContact CG-CB 4.42Å; K1555-M1669 HydrophobicContact CG-CG 3.66Å; K1555-N1670 WeakPolarHBondContact CD-OD1 3.3Å; K1555-N1670 WeakPolarHBondContact CE-OD1 3.44Å; K1555-N1670 PolarHBondContact NZ-OD1 3.26Å; K1555-L1673 HydrophobicContact CD-CD1 4.07Å; K1555-L1673 HydrophobicContact CG-CD1 4.43Å; K1555-L1764 HydrophobicContact CB-CD1 4.35Å
1556F90.9Very high90.4Very high5 Ų513 Ų132%0.0226%0.064CC..Hα-helixtrans-66.3-53.3177.4-179.8-101.3000112.3Y1431 M1552 F1553 L1558 C1559 I1560 L1588 I1647 C1650 L1651Y1431-F1556 HydrophobicContact CE2-CB 3.91Å; Y1431-F1556 HydrophobicContact CE2-CG 4.4Å; M1552-F1556 WeakPolarHBondContact O-CB 3.46Å; M1552-F1556 PolarHBondContact O-N 3.33Å; M1552-F1556 VanDerWaalsContact O-N 3.1Å; F1553-F1556 PolarHBondContact O-N 3.34Å; F1556-L1558 PolarHBondContact O-N 3.19Å; F1556-C1559 WeakPolarHBondContact O-CB 3.48Å; F1556-C1559 PolarHBondContact O-N 3.19Å; F1556-C1559 VanDerWaalsContact O-N 3.15Å; F1556-I1560 HydrophobicContact CD1-CG1 4.19Å; F1556-I1560 HydrophobicContact CD2-CD1 4.45Å; F1556-I1560 HydrophobicContact CD2-CG1 3.95Å; F1556-I1560 HydrophobicContact CE1-CG1 3.91Å; F1556-I1560 HydrophobicContact CE2-CD1 3.94Å; F1556-I1560 HydrophobicContact CE2-CG1 3.64Å; F1556-I1560 HydrophobicContact CG-CG1 4.22Å; F1556-I1560 HydrophobicContact CZ-CD1 4.21Å; F1556-I1560 HydrophobicContact CZ-CG1 3.62Å; F1556-I1560 WeakPolarHBondContact O-CB 3.32Å; F1556-I1560 WeakPolarHBondContact O-CG1 3.19Å; F1556-I1560 PolarHBondContact O-N 2.67Å; F1556-L1588 HydrophobicContact CD1-CD2 4.13Å; F1556-L1588 HydrophobicContact CE1-CD2 3.97Å; F1556-I1647 HydrophobicContact CE1-CG1 4.17Å; F1556-I1647 HydrophobicContact CE1-CG2 4.39Å; F1556-I1647 HydrophobicContact CE2-CG2 3.92Å; F1556-I1647 HydrophobicContact CZ-CB 4.25Å; F1556-I1647 HydrophobicContact CZ-CG1 4.36Å; F1556-I1647 HydrophobicContact CZ-CG2 3.74Å; F1556-C1650 HydrophobicContact CZ-CB 4.2Å; F1556-L1651 HydrophobicContact CE2-CD1 4.25Å
1557D89.6Confident90.3Very high18 Ų1813.1 Ų13.110%0.0967%0.065CC..Hα-helixtrans-61.5-40.7179.9169.957.2000112F1553 C1559 R1561 L1588 K1768F1553-D1557 WeakPolarHBondContact O-CB 3.18Å; F1553-D1557 PolarHBondContact O-N 3.45Å; D1557-C1559 PolarHBondContact O-N 2.89Å; D1557-R1561 WeakPolarHBondContact O-CB 3.41Å; D1557-R1561 PolarHBondContact O-N 3.35Å; D1557-R1561 IonicContact OD1-CZ 3.72Å; D1557-R1561 IonicContact OD1-NE 3.6Å; D1557-R1561 PolarHBondContact OD1-NE 2.72Å; D1557-R1561 IonicContact OD1-NH2 3.7Å; D1557-R1561 PolarHBondContact OD1-NH2 2.94Å; D1557-L1588 HydrophobicContact CB-CD2 4.03Å; D1557-L1588 WeakPolarHBondContact OD1-CD1 3.32Å; D1557-K1768 WeakPolarHBondContact OD2-CE 3.34Å; D1557-K1768 IonicContact OD2-NZ 3.9Å; D1557-K1768 PolarHBondContact OD2-NZ 2.88Å
1558L90Very high90.3Very high1 Ų112.8 Ų12.81%0.0056%0.063CC..Hα-helixtrans-61.6-43.1173.3-176.569.4000112.3L1554 F1556 N1562 T1563 M1669 L1764 R1767 K1768 E1771L1554-L1558 WeakPolarHBondContact O-CB 3.32Å; L1554-L1558 PolarHBondContact O-N 3.43Å; F1556-L1558 PolarHBondContact O-N 3.19Å; L1558-N1562 WeakPolarHBondContact CD1-ND2 3.43Å; L1558-N1562 WeakPolarHBondContact O-CB 3.4Å; L1558-N1562 PolarHBondContact O-N 2.94Å; L1558-T1563 PolarHBondContact O-N 3.15Å; L1558-M1669 HydrophobicContact CD2-CE 3.76Å; L1558-M1669 HydrophobicContact CD2-SD 3.97Å; L1558-M1669 HydrophobicContact CG-CE 3.99Å; L1558-L1764 HydrophobicContact CD2-CD2 3.64Å; L1558-R1767 HydrophobicContact CD1-CG 4.26Å; L1558-R1767 HydrophobicContact CD2-CB 4.28Å; L1558-R1767 HydrophobicContact CD2-CG 4.05Å; L1558-K1768 HydrophobicContact CD1-CB 4.17Å; L1558-E1771 HydrophobicContact CD1-CG 4.36Å
1559C89.9Confident90.2Very high1 Ų112.5 Ų12.51%0.0076%0.062CC..Iπ-helixtrans-66.7-47.4178.8-174.20000111.9K1555 F1556 D1557 T1563 L1564 L1666K1555-C1559 WeakPolarHBondContact O-CB 3.36Å; K1555-C1559 PolarHBondContact O-N 2.87Å; F1556-C1559 WeakPolarHBondContact O-CB 3.48Å; F1556-C1559 PolarHBondContact O-N 3.19Å; F1556-C1559 VanDerWaalsContact O-N 3.15Å; D1557-C1559 PolarHBondContact O-N 2.89Å; C1559-T1563 PolarHBondContact O-N 3.37Å; C1559-L1564 WeakPolarHBondContact O-CB 3.36Å; C1559-L1564 PolarHBondContact O-N 2.87Å; C1559-L1666 HydrophobicContact CB-CD1 3.85Å
1560I89Confident90Very high3 Ų314.5 Ų14.52%0.0158%0.08CC..Iπ-helixtrans-71.5-47.8-177.2-64.7-50.4000111.7F1556 L1564 L1580 L1588 C1650 L1651 V1662F1556-I1560 HydrophobicContact CD1-CG1 4.19Å; F1556-I1560 HydrophobicContact CD2-CD1 4.45Å; F1556-I1560 HydrophobicContact CD2-CG1 3.95Å; F1556-I1560 HydrophobicContact CE1-CG1 3.91Å; F1556-I1560 HydrophobicContact CE2-CD1 3.94Å; F1556-I1560 HydrophobicContact CE2-CG1 3.64Å; F1556-I1560 HydrophobicContact CG-CG1 4.22Å; F1556-I1560 HydrophobicContact CZ-CD1 4.21Å; F1556-I1560 HydrophobicContact CZ-CG1 3.62Å; F1556-I1560 WeakPolarHBondContact O-CB 3.32Å; F1556-I1560 WeakPolarHBondContact O-CG1 3.19Å; F1556-I1560 PolarHBondContact O-N 2.67Å; I1560-L1564 HydrophobicContact CD1-CD2 3.95Å; I1560-L1580 HydrophobicContact CD1-CD1 4.4Å; I1560-L1580 HydrophobicContact CG2-CD1 4.04Å; I1560-L1580 HydrophobicContact CG2-CG 4.43Å; I1560-L1580 WeakPolarHBondContact O-CD2 3.3Å; I1560-L1588 HydrophobicContact CB-CD1 4.36Å; I1560-L1588 HydrophobicContact CG2-CD1 3.91Å; I1560-C1650 HydrophobicContact CG2-CB 4.32Å; I1560-L1651 HydrophobicContact CD1-CD1 4.31Å; I1560-L1651 HydrophobicContact CD1-CD2 3.84Å; I1560-L1651 HydrophobicContact CD1-CG 4.34Å; I1560-V1662 HydrophobicContact CD1-CG1 4.41Å
1561R84.9Confident89.8Confident38 Ų3817.1 Ų17.114%0.14311%0.106CC..Iπ-helixtrans-74-34.1-172.4-170.6-175.5-71.5-95-2.8113G693 Q694 D695 N696 D1557 L1588G693-R1561 PolarHBondContact O-NH1 3.49Å; Q694-R1561 VanDerWaalsContact C-NH1 3.33Å; Q694-R1561 PolarHBondContact O-NH1 3.29Å; D695-R1561 PolarHBondContact O-NH1 3.25Å; N696-R1561 WeakPolarHBondContact OD1-CD 3.45Å; D1557-R1561 WeakPolarHBondContact O-CB 3.41Å; D1557-R1561 PolarHBondContact O-N 3.35Å; D1557-R1561 IonicContact OD1-CZ 3.72Å; D1557-R1561 IonicContact OD1-NE 3.6Å; D1557-R1561 PolarHBondContact OD1-NE 2.72Å; D1557-R1561 IonicContact OD1-NH2 3.7Å; D1557-R1561 PolarHBondContact OD1-NH2 2.94Å; R1561-L1588 HydrophobicContact CB-CD1 4.09Å; R1561-L1588 VanDerWaalsContact NH2-CB 3.33Å
1562N85.5Confident89.7Confident6 Ų618.6 Ų18.63%0.03212%0.124CC..Iπ-helixtrans-117.2-70.1-173.7-51.1-26000110.9L1558 L1564 G1565 E1566 E1771L1558-N1562 WeakPolarHBondContact CD1-ND2 3.43Å; L1558-N1562 WeakPolarHBondContact O-CB 3.4Å; L1558-N1562 PolarHBondContact O-N 2.94Å; N1562-L1564 PolarHBondContact O-N 3.2Å; N1562-G1565 PolarHBondContact O-N 3.47Å; N1562-E1566 PolarHBondContact O-N 3.44Å; N1562-E1771 HydrophobicContact CB-CB 4.32Å; N1562-E1771 HydrophobicContact CB-CG 4.3Å; N1562-E1771 VanDerWaalsContact ND2-CB 3.29Å; N1562-E1771 WeakPolarHBondContact ND2-CB 3.14Å
1563T87.6Confident89.7Confident14 Ų1419.8 Ų19.89%0.08613%0.131CC..Iπ-helixtrans-64.7-47.3-161.8-45.40000114L1558 C1559 G1565 E1566 T1567 E1665L1558-T1563 PolarHBondContact O-N 3.15Å; C1559-T1563 PolarHBondContact O-N 3.37Å; T1563-G1565 VanDerWaalsContact C-N 3.3Å; T1563-G1565 PolarHBondContact O-N 3.08Å; T1563-E1566 WeakPolarHBondContact O-CB 3.14Å; T1563-E1566 PolarHBondContact O-N 3.27Å; T1563-T1567 PolarHBondContact O-N 3.17Å; T1563-T1567 PolarHBondContact O-OG1 3.47Å; T1563-E1665 WeakPolarHBondContact CG2-OE2 3.44Å
1564L88.8Confident89.6Confident0 Ų022.6 Ų22.60%014%0.144CC..Hα-helixtrans-66.9-32.8179.2-178.464.4000112.1C1559 I1560 N1562 T1567 F1568 L1580 L1651 T1661 V1662 E1665C1559-L1564 WeakPolarHBondContact O-CB 3.36Å; C1559-L1564 PolarHBondContact O-N 2.87Å; I1560-L1564 HydrophobicContact CD1-CD2 3.95Å; N1562-L1564 PolarHBondContact O-N 3.2Å; L1564-T1567 PolarHBondContact O-N 3.12Å; L1564-F1568 HydrophobicContact CD1-CD2 4.35Å; L1564-F1568 HydrophobicContact CD1-CE2 3.8Å; L1564-F1568 HydrophobicContact CD1-CZ 3.87Å; L1564-F1568 HydrophobicContact CD2-CE2 4.03Å; L1564-F1568 HydrophobicContact CG-CD2 4.06Å; L1564-F1568 HydrophobicContact CG-CE2 3.6Å; L1564-F1568 HydrophobicContact CG-CZ 4.18Å; L1564-F1568 VanDerWaalsContact O-CD2 3.29Å; L1564-F1568 WeakPolarHBondContact O-CD2 3.42Å; L1564-F1568 PolarHBondContact O-N 3.06Å; L1564-L1580 HydrophobicContact CB-CD2 4.01Å; L1564-L1580 HydrophobicContact CD2-CD1 3.73Å; L1564-L1580 HydrophobicContact CD2-CD2 3.77Å; L1564-L1580 HydrophobicContact CD2-CG 4.42Å; L1564-L1580 HydrophobicContact CG-CD2 3.76Å; L1564-L1651 HydrophobicContact CD2-CD2 4.3Å; L1564-T1661 HydrophobicContact CD1-CG2 4Å; L1564-V1662 HydrophobicContact CD1-CG2 4.45Å; L1564-V1662 HydrophobicContact CD2-CB 4.4Å; L1564-V1662 HydrophobicContact CD2-CG1 4.23Å; L1564-V1662 HydrophobicContact CD2-CG2 3.89Å; L1564-E1665 HydrophobicContact CD1-CG 3.95Å
1565G88.6Confident89.4Confident3 Ų327.1 Ų27.13%0.03117%0.168CC..Hα-helixtrans-65.3-43.5172.600000112.4N1562 T1563 T1567 F1568 L1569N1562-G1565 PolarHBondContact O-N 3.47Å; T1563-G1565 VanDerWaalsContact C-N 3.3Å; T1563-G1565 PolarHBondContact O-N 3.08Å; G1565-T1567 VanDerWaalsContact C-N 3.35Å; G1565-T1567 PolarHBondContact O-N 3.39Å; G1565-F1568 PolarHBondContact O-N 3.42Å; G1565-L1569 WeakPolarHBondContact O-CG 3.49Å; G1565-L1569 PolarHBondContact O-N 2.89Å
1566E89Confident89.3Confident33 Ų3326 Ų2615%0.15416%0.164CC..Hα-helixtrans-59.4-43.8172.5-68.8-164.8134.200111.7N1562 T1563 L1569 A1570 K1774 Y1775 F1793N1562-E1566 PolarHBondContact O-N 3.44Å; T1563-E1566 WeakPolarHBondContact O-CB 3.14Å; T1563-E1566 PolarHBondContact O-N 3.27Å; E1566-L1569 PolarHBondContact O-N 3.32Å; E1566-A1570 VanDerWaalsContact O-CB 3.29Å; E1566-A1570 WeakPolarHBondContact O-CB 3.41Å; E1566-A1570 PolarHBondContact O-N 3.43Å; E1566-K1774 WeakPolarHBondContact OE1-CE 3.25Å; E1566-K1774 IonicContact OE1-NZ 3.96Å; E1566-K1774 PolarHBondContact OE1-NZ 2.91Å; E1566-K1774 IonicContact OE2-NZ 2.75Å; E1566-K1774 PolarHBondContact OE2-NZ 3.42Å; E1566-Y1775 HydrophobicContact CG-CE2 4.47Å; E1566-Y1775 WeakPolarHBondContact CG-OH 3.43Å; E1566-F1793 HydrophobicContact CB-CE1 4.44Å; E1566-F1793 HydrophobicContact CB-CE2 4.12Å; E1566-F1793 HydrophobicContact CB-CZ 3.64Å; E1566-F1793 HydrophobicContact CG-CE2 3.66Å; E1566-F1793 HydrophobicContact CG-CZ 3.67Å
1567T90Very high89.3Confident40 Ų4026.9 Ų26.925%0.24517%0.167CC..Hα-helixtrans-63.8-42.9177.5-67.80000112.5T1563 L1564 G1565 A1570 A1571 T1661 E1665T1563-T1567 PolarHBondContact O-N 3.17Å; T1563-T1567 PolarHBondContact O-OG1 3.47Å; L1564-T1567 PolarHBondContact O-N 3.12Å; G1565-T1567 VanDerWaalsContact C-N 3.35Å; G1565-T1567 PolarHBondContact O-N 3.39Å; T1567-A1570 PolarHBondContact O-N 3.42Å; T1567-A1571 WeakPolarHBondContact O-CB 3.25Å; T1567-A1571 PolarHBondContact O-N 2.96Å; T1567-T1661 HydrophobicContact CG2-CG2 3.79Å; T1567-E1665 WeakPolarHBondContact CB-OE1 3.34Å; T1567-E1665 VanDerWaalsContact CG2-OE1 3.29Å; T1567-E1665 WeakPolarHBondContact CG2-OE1 3.17Å; T1567-E1665 VanDerWaalsContact OG1-CD 3.27Å; T1567-E1665 PolarHBondContact OG1-OE1 3.22Å
1568F92.9Very high89.3Confident4 Ų429.5 Ų29.52%0.01818%0.181CC..Hα-helixtrans-63.8-42.6175.7-72.4-44.3000112.4L1564 G1565 A1571 G1572 N1573 A1576 L1580 L1654 D1658 T1661L1564-F1568 HydrophobicContact CD1-CD2 4.35Å; L1564-F1568 HydrophobicContact CD1-CE2 3.8Å; L1564-F1568 HydrophobicContact CD1-CZ 3.87Å; L1564-F1568 HydrophobicContact CD2-CE2 4.03Å; L1564-F1568 HydrophobicContact CG-CD2 4.06Å; L1564-F1568 HydrophobicContact CG-CE2 3.6Å; L1564-F1568 HydrophobicContact CG-CZ 4.18Å; L1564-F1568 VanDerWaalsContact O-CD2 3.29Å; L1564-F1568 WeakPolarHBondContact O-CD2 3.42Å; L1564-F1568 PolarHBondContact O-N 3.06Å; G1565-F1568 PolarHBondContact O-N 3.42Å; F1568-A1571 PolarHBondContact O-N 3.15Å; F1568-G1572 PolarHBondContact O-N 3.47Å; F1568-N1573 HydrophobicContact CD1-CB 4.27Å; F1568-N1573 PolarHBondContact O-N 3.31Å; F1568-A1576 HydrophobicContact CD1-CB 3.72Å; F1568-A1576 HydrophobicContact CD2-CB 3.91Å; F1568-A1576 HydrophobicContact CE1-CB 3.71Å; F1568-A1576 HydrophobicContact CE2-CB 3.89Å; F1568-A1576 HydrophobicContact CG-CB 3.84Å; F1568-A1576 HydrophobicContact CZ-CB 3.8Å; F1568-L1580 HydrophobicContact CD2-CD2 4.09Å; F1568-L1580 HydrophobicContact CE2-CD2 4.09Å; F1568-L1654 HydrophobicContact CE2-CD1 4.43Å; F1568-L1654 HydrophobicContact CE2-CD2 3.94Å; F1568-L1654 HydrophobicContact CZ-CD1 4.18Å; F1568-L1654 HydrophobicContact CZ-CD2 3.94Å; F1568-D1658 HydrophobicContact CE1-CB 4.03Å; F1568-D1658 HydrophobicContact CZ-CB 4.12Å; F1568-T1661 HydrophobicContact CE1-CG2 4.43Å
1569L91.6Very high89.2Confident0 Ų031.3 Ų31.30%019%0.19CC..Hα-helixtrans-68-34.7175.4-68.2178000112.9G1565 E1566 G1572 E1574 Y1577 N1788 S1790 F1793G1565-L1569 WeakPolarHBondContact O-CG 3.49Å; G1565-L1569 PolarHBondContact O-N 2.89Å; E1566-L1569 PolarHBondContact O-N 3.32Å; L1569-G1572 PolarHBondContact O-N 3.49Å; L1569-E1574 HydrophobicContact CD2-CG 4.43Å; L1569-Y1577 HydrophobicContact CD1-CD2 3.76Å; L1569-Y1577 HydrophobicContact CD1-CE1 4.45Å; L1569-Y1577 HydrophobicContact CD1-CE2 3.63Å; L1569-Y1577 HydrophobicContact CD1-CG 4.23Å; L1569-Y1577 HydrophobicContact CD2-CD1 3.85Å; L1569-Y1577 HydrophobicContact CD2-CD2 4Å; L1569-Y1577 HydrophobicContact CD2-CE1 4.39Å; L1569-Y1577 HydrophobicContact CD2-CG 3.63Å; L1569-Y1577 HydrophobicContact CG-CD1 4.34Å; L1569-Y1577 HydrophobicContact CG-CD2 3.58Å; L1569-Y1577 HydrophobicContact CG-CE2 4.02Å; L1569-Y1577 HydrophobicContact CG-CG 3.76Å; L1569-N1788 WeakPolarHBondContact CD2-O 3.43Å; L1569-S1790 WeakPolarHBondContact O-CA 3.43Å; L1569-S1790 VanDerWaalsContact O-CB 3.23Å; L1569-S1790 WeakPolarHBondContact O-CB 3.46Å; L1569-S1790 PolarHBondContact O-OG 3.26Å; L1569-F1793 HydrophobicContact CB-CB 4.03Å; L1569-F1793 HydrophobicContact CB-CD1 3.8Å; L1569-F1793 HydrophobicContact CB-CD2 4.49Å; L1569-F1793 HydrophobicContact CB-CE1 4.44Å; L1569-F1793 HydrophobicContact CB-CG 3.84Å; L1569-F1793 HydrophobicContact CD1-CB 4.1Å; L1569-F1793 HydrophobicContact CD1-CD2 4.15Å; L1569-F1793 HydrophobicContact CD1-CG 4.12Å
1570A88.5Confident89.2Confident49 Ų4931.4 Ų31.441%0.40519%0.19SC..Hα-helixtrans-63.6-48.717400000111.3E1566 T1567 G1572 F1793 K1794E1566-A1570 VanDerWaalsContact O-CB 3.29Å; E1566-A1570 WeakPolarHBondContact O-CB 3.41Å; E1566-A1570 PolarHBondContact O-N 3.43Å; T1567-A1570 PolarHBondContact O-N 3.42Å; A1570-G1572 VanDerWaalsContact C-N 3.27Å; A1570-G1572 PolarHBondContact O-N 2.98Å; A1570-F1793 HydrophobicContact CB-CE1 4.22Å; A1570-K1794 WeakPolarHBondContact O-CE 3.49Å; A1570-K1794 PolarHBondContact O-NZ 3.35Å
1571A89.2Confident89.1Confident84 Ų8432.6 Ų32.669%0.69420%0.198SC*.Hα-helixtrans-66.8-23.9176.800000113.6T1567 F1568T1567-A1571 WeakPolarHBondContact O-CB 3.25Å; T1567-A1571 PolarHBondContact O-N 2.96Å; F1568-A1571 PolarHBondContact O-N 3.15Å
1572G89.6Confident89.1Confident40 Ų4033.3 Ų33.341%0.41220%0.202SC..THydrogen-bonded Turntrans86.715.8-17700000114.3F1568 L1569 A1570 E1574F1568-G1572 PolarHBondContact O-N 3.47Å; L1569-G1572 PolarHBondContact O-N 3.49Å; A1570-G1572 VanDerWaalsContact C-N 3.27Å; A1570-G1572 PolarHBondContact O-N 2.98Å; G1572-E1574 VanDerWaalsContact C-N 3.31Å; G1572-E1574 PolarHBondContact O-N 3.35Å; G1572-E1574 VanDerWaalsContact O-N 3.14Å
1573N91Very high89.3Confident37 Ų3733.2 Ų33.220%0.19820%0.202CC..  trans-85.674.8172.9-171.1-7.6000109.6F1568 D1575 A1576 Y1577 D1658F1568-N1573 HydrophobicContact CD1-CB 4.27Å; F1568-N1573 PolarHBondContact O-N 3.31Å; N1573-D1575 VanDerWaalsContact C-N 3.29Å; N1573-D1575 PolarHBondContact O-N 2.76Å; N1573-A1576 HydrophobicContact CB-CB 4.32Å; N1573-A1576 VanDerWaalsContact CG-CB 3.44Å; N1573-A1576 WeakPolarHBondContact ND2-CB 3.22Å; N1573-A1576 PolarHBondContact O-N 3.38Å; N1573-A1576 WeakPolarHBondContact OD1-CB 3.46Å; N1573-A1576 PolarHBondContact OD1-N 3.47Å; N1573-A1576 VanDerWaalsContact OD1-N 3.12Å; N1573-Y1577 PolarHBondContact O-N 3.43Å; N1573-D1658 VanDerWaalsContact ND2-CG 3.29Å; N1573-D1658 PolarHBondContact ND2-OD1 3.09Å; N1573-D1658 PolarHBondContact ND2-OD2 2.88Å
1574E91.5Very high89.3Confident69 Ų6933 Ų3332%0.32220%0.201SC..Hα-helixtrans-66.5-30.6-177.4-61.5-174.5175.500111.8L1569 G1572 Y1577 N1578 T1789 S1790L1569-E1574 HydrophobicContact CD2-CG 4.43Å; G1572-E1574 VanDerWaalsContact C-N 3.31Å; G1572-E1574 PolarHBondContact O-N 3.35Å; G1572-E1574 VanDerWaalsContact O-N 3.14Å; E1574-Y1577 PolarHBondContact O-N 3.03Å; E1574-N1578 WeakPolarHBondContact O-CB 3.4Å; E1574-N1578 VanDerWaalsContact O-CG 3.28Å; E1574-N1578 PolarHBondContact O-N 2.97Å; E1574-N1578 PolarHBondContact O-ND2 2.96Å; E1574-T1789 WeakPolarHBondContact OE1-CA 3.4Å; E1574-S1790 WeakPolarHBondContact OE1-CB 3.25Å; E1574-S1790 PolarHBondContact OE1-N 3.04Å
1575D87.5Confident88.9Confident98 Ų9834.5 Ų34.552%0.52421%0.207SC..Hα-helixtrans-53.5-54.4170.1-66.82.6000111.7N1573 Y1577 N1578 E1579 K1655N1573-D1575 VanDerWaalsContact C-N 3.29Å; N1573-D1575 PolarHBondContact O-N 2.76Å; D1575-Y1577 PolarHBondContact O-N 2.92Å; D1575-N1578 PolarHBondContact O-N 3.35Å; D1575-E1579 PolarHBondContact O-N 2.98Å; D1575-K1655 IonicContact OD2-NZ 2.72Å; D1575-K1655 PolarHBondContact OD2-NZ 3.35Å
1576A88.8Confident88.8Confident4 Ų436.3 Ų36.33%0.03321%0.214CC..Hα-helixtrans-69.2-33.8-176.300000112F1568 N1573 L1580 L1654F1568-A1576 HydrophobicContact CD1-CB 3.72Å; F1568-A1576 HydrophobicContact CD2-CB 3.91Å; F1568-A1576 HydrophobicContact CE1-CB 3.71Å; F1568-A1576 HydrophobicContact CE2-CB 3.89Å; F1568-A1576 HydrophobicContact CG-CB 3.84Å; F1568-A1576 HydrophobicContact CZ-CB 3.8Å; N1573-A1576 HydrophobicContact CB-CB 4.32Å; N1573-A1576 VanDerWaalsContact CG-CB 3.44Å; N1573-A1576 WeakPolarHBondContact ND2-CB 3.22Å; N1573-A1576 PolarHBondContact O-N 3.38Å; N1573-A1576 WeakPolarHBondContact OD1-CB 3.46Å; N1573-A1576 PolarHBondContact OD1-N 3.47Å; N1573-A1576 VanDerWaalsContact OD1-N 3.12Å; A1576-L1580 WeakPolarHBondContact O-CB 3.5Å; A1576-L1580 PolarHBondContact O-N 2.93Å; A1576-L1654 HydrophobicContact CB-CD2 3.98Å
1577Y91.4Very high88.7Confident22 Ų2234.9 Ų34.99%0.08621%0.207CC..Hα-helixtrans-60.6-47170.1171.4-95.5000111.7L1569 N1573 E1574 D1575 T1581 I1787 N1788L1569-Y1577 HydrophobicContact CD1-CD2 3.76Å; L1569-Y1577 HydrophobicContact CD1-CE1 4.45Å; L1569-Y1577 HydrophobicContact CD1-CE2 3.63Å; L1569-Y1577 HydrophobicContact CD1-CG 4.23Å; L1569-Y1577 HydrophobicContact CD2-CD1 3.85Å; L1569-Y1577 HydrophobicContact CD2-CD2 4Å; L1569-Y1577 HydrophobicContact CD2-CE1 4.39Å; L1569-Y1577 HydrophobicContact CD2-CG 3.63Å; L1569-Y1577 HydrophobicContact CG-CD1 4.34Å; L1569-Y1577 HydrophobicContact CG-CD2 3.58Å; L1569-Y1577 HydrophobicContact CG-CE2 4.02Å; L1569-Y1577 HydrophobicContact CG-CG 3.76Å; N1573-Y1577 PolarHBondContact O-N 3.43Å; E1574-Y1577 PolarHBondContact O-N 3.03Å; D1575-Y1577 PolarHBondContact O-N 2.92Å; Y1577-T1581 VanDerWaalsContact O-CB 3.23Å; Y1577-T1581 WeakPolarHBondContact O-CB 3.45Å; Y1577-T1581 PolarHBondContact O-N 3.3Å; Y1577-T1581 PolarHBondContact O-OG1 2.99Å; Y1577-I1787 PolarHBondContact OH-O 3.5Å; Y1577-N1788 HydrophobicContact CE1-CB 3.79Å
1578N89.4Confident88.6Confident73 Ų7333.2 Ų33.239%0.3920%0.197SC..Hα-helixtrans-66.1-48.5-178.7-72.4-39.1000111.5E1574 D1575 L1580 T1581 E1582E1574-N1578 WeakPolarHBondContact O-CB 3.4Å; E1574-N1578 VanDerWaalsContact O-CG 3.28Å; E1574-N1578 PolarHBondContact O-N 2.97Å; E1574-N1578 PolarHBondContact O-ND2 2.96Å; D1575-N1578 PolarHBondContact O-N 3.35Å; N1578-L1580 PolarHBondContact O-N 3.15Å; N1578-T1581 PolarHBondContact O-N 3.39Å; N1578-E1582 PolarHBondContact O-N 2.86Å
1579E89.3Confident88.1Confident40 Ų4037.2 Ų37.219%0.18722%0.215CC..Hα-helixtrans-62.9-40.9177-85.2-65122.700112.4R506 D1575 T1581 N1583 G1653R506-E1579 IonicContact CZ-OE1 3.89Å; R506-E1579 VanDerWaalsContact CZ-OE1 3.28Å; R506-E1579 IonicContact CZ-OE2 3.74Å; R506-E1579 IonicContact NH1-OE1 2.83Å; R506-E1579 PolarHBondContact NH1-OE1 2.98Å; R506-E1579 IonicContact NH1-OE2 2.73Å; R506-E1579 PolarHBondContact NH1-OE2 3.45Å; R506-E1579 IonicContact NH2-OE1 2.91Å; R506-E1579 PolarHBondContact NH2-OE1 3.42Å; D1575-E1579 PolarHBondContact O-N 2.98Å; E1579-T1581 PolarHBondContact O-N 3.48Å; E1579-N1583 VanDerWaalsContact O-CB 3.23Å; E1579-N1583 WeakPolarHBondContact O-CB 3.35Å; E1579-N1583 PolarHBondContact O-N 2.78Å; E1579-N1583 PolarHBondContact O-ND2 3.08Å; E1579-N1583 PolarHBondContact OE2-ND2 3.23Å; E1579-G1653 WeakPolarHBondContact OE2-CA 3.36Å
1580L89.6Confident87.7Confident2 Ų238.2 Ų38.21%0.0122%0.219CC..Hα-helixtrans-58.8-48.6173.5-175.273.8000111I1560 L1564 F1568 A1576 N1578 S1584 L1651I1560-L1580 HydrophobicContact CD1-CD1 4.4Å; I1560-L1580 HydrophobicContact CG2-CD1 4.04Å; I1560-L1580 HydrophobicContact CG2-CG 4.43Å; I1560-L1580 WeakPolarHBondContact O-CD2 3.3Å; L1564-L1580 HydrophobicContact CB-CD2 4.01Å; L1564-L1580 HydrophobicContact CD2-CD1 3.73Å; L1564-L1580 HydrophobicContact CD2-CD2 3.77Å; L1564-L1580 HydrophobicContact CD2-CG 4.42Å; L1564-L1580 HydrophobicContact CG-CD2 3.76Å; F1568-L1580 HydrophobicContact CD2-CD2 4.09Å; F1568-L1580 HydrophobicContact CE2-CD2 4.09Å; A1576-L1580 WeakPolarHBondContact O-CB 3.5Å; A1576-L1580 PolarHBondContact O-N 2.93Å; N1578-L1580 PolarHBondContact O-N 3.15Å; L1580-S1584 WeakPolarHBondContact O-CB 3.49Å; L1580-S1584 PolarHBondContact O-N 2.89Å; L1580-S1584 PolarHBondContact O-OG 3.48Å; L1580-S1584 VanDerWaalsContact O-OG 3.04Å; L1580-L1651 HydrophobicContact CD1-CD2 3.8Å
1581T86.6Confident87.5Confident29 Ų2936.7 Ų36.718%0.17820%0.204CC..Hα-helixtrans-67.7-37.8-174.6-60.10000113Y1577 N1578 E1579Y1577-T1581 VanDerWaalsContact O-CB 3.23Å; Y1577-T1581 WeakPolarHBondContact O-CB 3.45Å; Y1577-T1581 PolarHBondContact O-N 3.3Å; Y1577-T1581 PolarHBondContact O-OG1 2.99Å; N1578-T1581 PolarHBondContact O-N 3.39Å; E1579-T1581 PolarHBondContact O-N 3.48Å
1582E85.4Confident87.4Confident52 Ų5233 Ų3324%0.24317%0.173CC..Hα-helixtrans-75-46175.8-67.8-154.8159.200112K503 R506 N1578 S1584K503-E1582 WeakPolarHBondContact CD-OE1 3.33Å; K503-E1582 VanDerWaalsContact CE-OE1 3.24Å; K503-E1582 WeakPolarHBondContact CE-OE1 3.44Å; K503-E1582 IonicContact NZ-OE1 3.28Å; K503-E1582 PolarHBondContact NZ-OE1 2.89Å; R506-E1582 IonicContact CZ-OE2 3.06Å; R506-E1582 IonicContact NE-OE2 3.64Å; R506-E1582 IonicContact NH2-OE2 3.36Å; R506-E1582 PolarHBondContact NH2-OE2 3.21Å; N1578-E1582 PolarHBondContact O-N 2.86Å; E1582-S1584 VanDerWaalsContact C-N 3.33Å; E1582-S1584 PolarHBondContact O-N 2.98Å
1583N88.6Confident87.1Confident5 Ų531.9 Ų31.93%0.02716%0.158CC..Hα-helixtrans-69.6-27.7-176.8-66.8-46.9000112.9R506 E1579 P1587 L1649R506-N1583 WeakPolarHBondContact CD-OD1 3.46Å; R506-N1583 PolarHBondContact NH1-OD1 3.48Å; E1579-N1583 VanDerWaalsContact O-CB 3.23Å; E1579-N1583 WeakPolarHBondContact O-CB 3.35Å; E1579-N1583 PolarHBondContact O-N 2.78Å; E1579-N1583 PolarHBondContact O-ND2 3.08Å; E1579-N1583 PolarHBondContact OE2-ND2 3.23Å; N1583-P1587 WeakPolarHBondContact O-CD 3.39Å; N1583-P1587 WeakPolarHBondContact O-CG 3.44Å; N1583-L1649 WeakPolarHBondContact CB-O 3.31Å
1584S87.3Confident86.6Confident9 Ų930.5 Ų30.56%0.06315%0.151CC..Hα-helixtrans-84.7-15.9-178.976.40000115.1L1580 E1582 F1586 P1587 L1588L1580-S1584 WeakPolarHBondContact O-CB 3.49Å; L1580-S1584 PolarHBondContact O-N 2.89Å; L1580-S1584 PolarHBondContact O-OG 3.48Å; L1580-S1584 VanDerWaalsContact O-OG 3.04Å; E1582-S1584 VanDerWaalsContact C-N 3.33Å; E1582-S1584 PolarHBondContact O-N 2.98Å; S1584-F1586 PolarHBondContact O-N 2.9Å; S1584-P1587 WeakPolarHBondContact O-CD 3.5Å; S1584-L1588 WeakPolarHBondContact O-CB 3.31Å; S1584-L1588 WeakPolarHBondContact O-CG 3.46Å; S1584-L1588 PolarHBondContact O-N 3.37Å
1585R81.5Confident85.9Confident32 Ų3228.8 Ų28.812%0.12115%0.146CC..Hα-helixtrans-54.7-48.4-173-178.9177.1177.41563.6113.2K501 V691K501-R1585 PolarHBondContact O-NH1 2.68Å; K501-R1585 PolarHBondContact O-NH2 2.98Å; V691-R1585 PolarHBondContact O-NH2 2.99Å
1586F86.5Confident85.4Confident41 Ų4126 Ų2618%0.1813%0.128CC..Hα-helixtrans-83.4-47.6-179.7-63-84.7000113.2K503 K505 S1584 L1588 F1589 E1590K503-F1586 WeakPolarHBondContact O-CE2 3.4Å; K503-F1586 VanDerWaalsContact O-CZ 3.29Å; K503-F1586 WeakPolarHBondContact O-CZ 3.33Å; K505-F1586 HydrophobicContact CB-CD2 4.11Å; K505-F1586 HydrophobicContact CB-CE2 4.09Å; K505-F1586 HydrophobicContact CB-CG 4.33Å; K505-F1586 HydrophobicContact CB-CZ 4.29Å; K505-F1586 HydrophobicContact CD-CD1 4.39Å; K505-F1586 HydrophobicContact CD-CG 4.43Å; K505-F1586 HydrophobicContact CG-CB 4.4Å; K505-F1586 HydrophobicContact CG-CD1 4.48Å; K505-F1586 HydrophobicContact CG-CD2 4.25Å; K505-F1586 HydrophobicContact CG-CG 4.13Å; S1584-F1586 PolarHBondContact O-N 2.9Å; F1586-L1588 VanDerWaalsContact C-N 3.34Å; F1586-L1588 PolarHBondContact O-N 3.39Å; F1586-F1589 WeakPolarHBondContact O-CB 3.38Å; F1586-F1589 PolarHBondContact O-N 3.47Å; F1586-F1589 VanDerWaalsContact O-N 3.11Å; F1586-E1590 VanDerWaalsContact O-CG 3.26Å; F1586-E1590 WeakPolarHBondContact O-CG 3.14Å; F1586-E1590 PolarHBondContact O-N 3.41Å
1587P87.3Confident85.3Confident2 Ų227.4 Ų27.41%0.01314%0.137CC..Hα-helixtrans-63.1-34.2-175.6-25.335.8000114.7N1583 S1584 E1590 L1591 N1646 L1649N1583-P1587 WeakPolarHBondContact O-CD 3.39Å; N1583-P1587 WeakPolarHBondContact O-CG 3.44Å; S1584-P1587 WeakPolarHBondContact O-CD 3.5Å; P1587-E1590 WeakPolarHBondContact O-CB 3.46Å; P1587-E1590 PolarHBondContact O-N 3.25Å; P1587-L1591 VanDerWaalsContact O-CG 3.31Å; P1587-L1591 WeakPolarHBondContact O-CG 3.39Å; P1587-L1591 PolarHBondContact O-N 2.81Å; P1587-N1646 HydrophobicContact CB-CB 3.88Å; P1587-N1646 WeakPolarHBondContact CB-O 3.35Å; P1587-L1649 HydrophobicContact CG-CB 3.94Å; P1587-L1649 HydrophobicContact CG-CD2 3.69Å; P1587-L1649 HydrophobicContact CG-CG 3.69Å
1588L86.5Confident85.1Confident6 Ų627.1 Ų27.13%0.03114%0.138CC..Hα-helixtrans-71.7-31176.6-63177.3000112.2F1556 D1557 I1560 R1561 S1584 F1586 S1592F1556-L1588 HydrophobicContact CD1-CD2 4.13Å; F1556-L1588 HydrophobicContact CE1-CD2 3.97Å; D1557-L1588 HydrophobicContact CB-CD2 4.03Å; D1557-L1588 WeakPolarHBondContact OD1-CD1 3.32Å; I1560-L1588 HydrophobicContact CB-CD1 4.36Å; I1560-L1588 HydrophobicContact CG2-CD1 3.91Å; R1561-L1588 HydrophobicContact CB-CD1 4.09Å; R1561-L1588 VanDerWaalsContact NH2-CB 3.33Å; S1584-L1588 WeakPolarHBondContact O-CB 3.31Å; S1584-L1588 WeakPolarHBondContact O-CG 3.46Å; S1584-L1588 PolarHBondContact O-N 3.37Å; F1586-L1588 VanDerWaalsContact C-N 3.34Å; F1586-L1588 PolarHBondContact O-N 3.39Å; L1588-S1592 WeakPolarHBondContact O-CB 3.48Å
1589F83.1Confident84.9Confident88 Ų8823.7 Ų23.739%0.38612%0.12SC..Hα-helixtrans-68.3-42.9167.9-179-87.5000110.7F1586 L1591 S1592 S1594F1586-F1589 WeakPolarHBondContact O-CB 3.38Å; F1586-F1589 PolarHBondContact O-N 3.47Å; F1586-F1589 VanDerWaalsContact O-N 3.11Å; F1589-L1591 VanDerWaalsContact C-N 3.32Å; F1589-L1591 PolarHBondContact O-N 3.48Å; F1589-S1592 WeakPolarHBondContact O-CB 3.24Å; F1589-S1592 PolarHBondContact O-N 3.31Å; F1589-S1592 VanDerWaalsContact O-N 3.09Å; F1589-S1592 PolarHBondContact O-OG 3.19Å; F1589-S1594 WeakPolarHBondContact CE1-OG 3.38Å; F1589-S1594 WeakPolarHBondContact CE2-OG 3.4Å; F1589-S1594 VanDerWaalsContact CZ-CB 3.48Å; F1589-S1594 WeakPolarHBondContact CZ-OG 3.46Å; F1589-S1594 PolarHBondContact O-OG 2.7Å
1590E82.8Confident84.7Confident20 Ų2023.2 Ų23.29%0.09312%0.118CC..Hα-helixtrans-60-38.6-179.8-69.5-88.9-176.900112.9K505 F1586 P1587 S1592 R1596 N1646K505-E1590 IonicContact NZ-OE1 2.86Å; K505-E1590 PolarHBondContact NZ-OE1 2.84Å; F1586-E1590 VanDerWaalsContact O-CG 3.26Å; F1586-E1590 WeakPolarHBondContact O-CG 3.14Å; F1586-E1590 PolarHBondContact O-N 3.41Å; P1587-E1590 WeakPolarHBondContact O-CB 3.46Å; P1587-E1590 PolarHBondContact O-N 3.25Å; E1590-S1592 VanDerWaalsContact C-N 3.29Å; E1590-S1592 PolarHBondContact O-N 3.33Å; E1590-R1596 VanDerWaalsContact CA-NH2 3.3Å; E1590-R1596 PolarHBondContact O-NH2 2.9Å; E1590-R1596 IonicContact OE1-NH1 3.61Å; E1590-R1596 IonicContact OE2-CZ 3.76Å; E1590-R1596 IonicContact OE2-NH1 3.86Å; E1590-R1596 PolarHBondContact OE2-NH1 3.17Å; E1590-R1596 IonicContact OE2-NH2 3.93Å; E1590-R1596 PolarHBondContact OE2-NH2 2.73Å; E1590-N1646 WeakPolarHBondContact CB-ND2 3.45Å
1591L85.5Confident84.5Confident18 Ų1823.6 Ų23.69%0.09412%0.121CC..THydrogen-bonded Turntrans-78.2-6.2177.8-67.8169.7000114.2Q68 F1553 P1587 F1589 I1643 N1646 I1647Q68-L1591 PolarHBondContact N-O 3.29Å; F1553-L1591 HydrophobicContact CD1-CD1 4.47Å; F1553-L1591 HydrophobicContact CD1-CD2 4.47Å; F1553-L1591 HydrophobicContact CE1-CD1 4.44Å; F1553-L1591 HydrophobicContact CE1-CD2 3.89Å; P1587-L1591 VanDerWaalsContact O-CG 3.31Å; P1587-L1591 WeakPolarHBondContact O-CG 3.39Å; P1587-L1591 PolarHBondContact O-N 2.81Å; F1589-L1591 VanDerWaalsContact C-N 3.32Å; F1589-L1591 PolarHBondContact O-N 3.48Å; L1591-I1643 HydrophobicContact CD2-CB 4.43Å; L1591-I1643 HydrophobicContact CD2-CG1 4.03Å; L1591-I1643 HydrophobicContact CD2-CG2 4.47Å; L1591-N1646 HydrophobicContact CD1-CB 4.08Å; L1591-N1646 HydrophobicContact CD2-CB 4.14Å; L1591-N1646 HydrophobicContact CG-CB 3.99Å; L1591-I1647 HydrophobicContact CD1-CG1 4.11Å
1592S85.4Confident84.5Confident7 Ų722.7 Ų22.75%0.04912%0.115CC..BIsolated β-bridgetrans-96.6170.5-172.378.60000114.2Q66 Q68 L1588 F1589 E1590 S1594Q66-S1592 CarbonylContact O-C 3.52Å; Q66-S1592 VanDerWaalsContact O-CA 3.29Å; Q66-S1592 WeakPolarHBondContact O-CA 3.22Å; Q68-S1592 WeakPolarHBondContact CB-O 3.45Å; L1588-S1592 WeakPolarHBondContact O-CB 3.48Å; F1589-S1592 WeakPolarHBondContact O-CB 3.24Å; F1589-S1592 PolarHBondContact O-N 3.31Å; F1589-S1592 VanDerWaalsContact O-N 3.09Å; F1589-S1592 PolarHBondContact O-OG 3.19Å; E1590-S1592 VanDerWaalsContact C-N 3.29Å; E1590-S1592 PolarHBondContact O-N 3.33Å; S1592-S1594 PolarHBondContact O-N 2.91Å; S1592-S1594 PolarHBondContact OG-N 3.23Å; S1592-S1594 PolarHBondContact OG-OG 2.95Å
1593N84Confident84.6Confident15 Ų1522.6 Ų22.68%0.0812%0.115CC..  trans-88.935.2170.370.61.4000113.6Q66 R698 Q1613Q66-N1593 PolarHBondContact N-OD1 2.87Å; Q66-N1593 VanDerWaalsContact N-OD1 3.1Å; Q66-N1593 PolarHBondContact O-N 3.32Å; Q66-N1593 PolarHBondContact O-OD1 3.4Å; R698-N1593 PolarHBondContact NE-OD1 2.84Å; R698-N1593 PolarHBondContact NH2-ND2 3.36Å; N1593-Q1613 PolarHBondContact O-NE2 2.91Å
1594S80.4Confident84.5Confident8 Ų822.9 Ų22.96%0.05612%0.116CC..  trans-62.4147165.656.10000110.9F1589 S1592F1589-S1594 WeakPolarHBondContact CE1-OG 3.38Å; F1589-S1594 WeakPolarHBondContact CE2-OG 3.4Å; F1589-S1594 VanDerWaalsContact CZ-CB 3.48Å; F1589-S1594 WeakPolarHBondContact CZ-OG 3.46Å; F1589-S1594 PolarHBondContact O-OG 2.7Å; S1592-S1594 PolarHBondContact O-N 2.91Å; S1592-S1594 PolarHBondContact OG-N 3.23Å; S1592-S1594 PolarHBondContact OG-OG 2.95Å
1595P76.6Confident84.4Confident34 Ų3424 Ų2422%0.22112%0.124CC..  trans-73138.1177.431.6-31.6000109.7P1612 Y1629P1595-P1612 HydrophobicContact CB-CB 4.12Å; P1595-P1612 HydrophobicContact CB-CG 3.91Å; P1595-Y1629 HydrophobicContact CB-CD2 3.95Å
1596R78.5Confident84.6Confident39 Ų3923.1 Ų23.115%0.14712%0.121CC..BIsolated β-bridgetrans-127.1123177.3-62.6-161.4-156.9-164.312.7111.6E1590 N1628 Y1629 G1631E1590-R1596 VanDerWaalsContact CA-NH2 3.3Å; E1590-R1596 PolarHBondContact O-NH2 2.9Å; E1590-R1596 IonicContact OE1-NH1 3.61Å; E1590-R1596 IonicContact OE2-CZ 3.76Å; E1590-R1596 IonicContact OE2-NH1 3.86Å; E1590-R1596 PolarHBondContact OE2-NH1 3.17Å; E1590-R1596 IonicContact OE2-NH2 3.93Å; E1590-R1596 PolarHBondContact OE2-NH2 2.73Å; R1596-N1628 CarbonylContact C-O 3.33Å; R1596-N1628 CarbonylContact O-C 3.58Å; R1596-Y1629 PolarHBondContact N-O 3.36Å; R1596-Y1629 CarbonylContact O-C 3.58Å; R1596-Y1629 PolarHBondContact O-N 2.94Å; R1596-G1631 PolarHBondContact O-N 3.49Å
1597P85.2Confident84.6Confident33 Ų3321.3 Ų21.321%0.21411%0.114CC..  trans-71.5151.2176.528.5-33.3000113.1S1601 I1627 G1631P1597-S1601 VanDerWaalsContact CB-OG 3.31Å; P1597-S1601 WeakPolarHBondContact CB-OG 3.41Å; P1597-I1627 WeakPolarHBondContact CA-O 3.37Å; P1597-G1631 CarbonylContact O-C 3.18Å
1598C87.7Confident84Confident16 Ų1624.4 Ų24.411%0.10813%0.128CC..  trans-69.2146165.7179.80000109.8N1600 S1601 I1627 G1631 P1632C1598-N1600 PolarHBondContact O-N 3.31Å; C1598-N1600 VanDerWaalsContact O-N 3.08Å; C1598-S1601 PolarHBondContact O-N 3.06Å; C1598-S1601 PolarHBondContact O-OG 2.82Å; C1598-I1627 HydrophobicContact CB-CB 4.22Å; C1598-I1627 VanDerWaalsContact CB-O 3.31Å; C1598-I1627 WeakPolarHBondContact CB-O 3.16Å; C1598-I1627 PolarHBondContact N-O 2.83Å; C1598-G1631 VanDerWaalsContact CA-O 3.32Å; C1598-G1631 WeakPolarHBondContact CA-O 3.28Å; C1598-G1631 PolarHBondContact N-O 3.12Å; C1598-P1632 WeakPolarHBondContact CA-O 3.5Å; C1598-P1632 PolarHBondContact SG-O 3.4Å; C1598-P1632 VanDerWaalsContact SG-O 3.41Å
1599V86.2Confident83.2Confident2 Ų225.9 Ų25.91%0.01214%0.138CC..THydrogen-bonded Turntrans-58.4-27.9178.9-63.40000112.4S958 E961 S1601 P1632 Y1633S958-V1599 WeakPolarHBondContact CB-O 3.47Å; S958-V1599 PolarHBondContact OG-O 2.73Å; E961-V1599 HydrophobicContact CB-CG1 4.27Å; E961-V1599 HydrophobicContact CG-CG1 4.14Å; V1599-S1601 PolarHBondContact O-N 3.03Å; V1599-P1632 HydrophobicContact CG1-CB 3.87Å; V1599-P1632 PolarHBondContact N-O 3.37Å; V1599-Y1633 HydrophobicContact CG2-CD1 4.13Å; V1599-Y1633 HydrophobicContact CG2-CE1 3.86Å
1600N84.7Confident83.1Confident30 Ų3022.5 Ų22.516%0.1612%0.124CC..THydrogen-bonded Turntrans-82.7-1.7178.8-61.7-6.6000114.2S202 N203 C1598 I1602S202-N1600 WeakPolarHBondContact CB-OD1 3.44Å; N203-N1600 PolarHBondContact OD1-ND2 3.08Å; C1598-N1600 PolarHBondContact O-N 3.31Å; C1598-N1600 VanDerWaalsContact O-N 3.08Å; N1600-I1602 PolarHBondContact O-N 3.33Å; N1600-I1602 VanDerWaalsContact O-N 3.13Å
1601S85.2Confident82.8Confident10 Ų1022 Ų227%0.0712%0.121CC..  trans-85.533.1-177.383.50000113.9P1597 C1598 V1599 E1603 L1604P1597-S1601 VanDerWaalsContact CB-OG 3.31Å; P1597-S1601 WeakPolarHBondContact CB-OG 3.41Å; C1598-S1601 PolarHBondContact O-N 3.06Å; C1598-S1601 PolarHBondContact O-OG 2.82Å; V1599-S1601 PolarHBondContact O-N 3.03Å; S1601-E1603 PolarHBondContact O-N 3.1Å; S1601-E1603 VanDerWaalsContact O-N 3.17Å; S1601-L1604 PolarHBondContact O-N 2.88Å; S1601-L1604 VanDerWaalsContact O-N 3.11Å
1602I87.2Confident82.5Confident9 Ų922 Ų225%0.04612%0.123CC..THydrogen-bonded Turntrans-62.3116.4-172.5-61.2155.8000109.8H191 L195 C955 S958 N1600 L1604H191-I1602 PolarHBondContact CE1-O 3.41Å; H191-I1602 PolarHBondContact NE2-O 3.38Å; L195-I1602 HydrophobicContact CD1-CB 3.74Å; L195-I1602 HydrophobicContact CD1-CD1 4.4Å; L195-I1602 HydrophobicContact CD1-CG2 3.88Å; L195-I1602 HydrophobicContact CD2-CB 4.41Å; L195-I1602 HydrophobicContact CD2-CD1 4.07Å; L195-I1602 HydrophobicContact CD2-CG2 3.98Å; C955-I1602 HydrophobicContact CB-CD1 3.75Å; S958-I1602 WeakPolarHBondContact OG-CG1 3.47Å; N1600-I1602 PolarHBondContact O-N 3.33Å; N1600-I1602 VanDerWaalsContact O-N 3.13Å; I1602-L1604 PolarHBondContact O-N 3.2Å
1603E85.7Confident82.1Confident51 Ų5122.4 Ų22.424%0.23812%0.124CC..THydrogen-bonded Turntrans56.915.1-176.4-50.5-170.3178.200115S849 S852 A954 S1601 S1605S849-E1603 WeakPolarHBondContact CB-OE1 3.32Å; S849-E1603 PolarHBondContact OG-OE1 3.47Å; S852-E1603 PolarHBondContact OG-OE1 3.23Å; A954-E1603 WeakPolarHBondContact CB-OE1 3.4Å; S1601-E1603 PolarHBondContact O-N 3.1Å; S1601-E1603 VanDerWaalsContact O-N 3.17Å; E1603-S1605 PolarHBondContact O-N 3.26Å
1604L88.2Confident81.9Confident11 Ų1123.4 Ų23.46%0.05813%0.129CC..  trans-99.854.3173.2-63.9176.8000110.8S1601 I1602 W1623 I1627 N1628S1601-L1604 PolarHBondContact O-N 2.88Å; S1601-L1604 VanDerWaalsContact O-N 3.11Å; I1602-L1604 PolarHBondContact O-N 3.2Å; L1604-W1623 HydrophobicContact CD1-CH2 3.8Å; L1604-W1623 HydrophobicContact CD1-CZ3 4.38Å; L1604-I1627 HydrophobicContact CB-CD1 4.36Å; L1604-I1627 HydrophobicContact CD1-CD1 4.45Å; L1604-N1628 PolarHBondContact O-ND2 3.14Å
1605S84.2Confident81.9Confident31 Ų3128.8 Ų28.822%0.21716%0.157CC..PPolyproline II helixtrans-69170.2175.754.70000112.6E1603 R1624E1603-S1605 PolarHBondContact O-N 3.26Å; S1605-R1624 PolarHBondContact O-NH1 2.83Å
1606I85.6Confident82.2Confident14 Ų1431.9 Ų31.97%0.07217%0.167CC..PPolyproline II helixtrans-92.9137.8169.8-57.8-177.2000108.5L1610 P1612 L1621 T1625 N1628I1606-L1610 HydrophobicContact CG2-CB 3.92Å; I1606-P1612 VanDerWaalsContact CD1-CA 3.43Å; I1606-P1612 HydrophobicContact CD1-CB 3.69Å; I1606-P1612 HydrophobicContact CD1-CG 3.59Å; I1606-L1621 HydrophobicContact CG2-CD1 4.42Å; I1606-T1625 HydrophobicContact CD1-CG2 4.32Å; I1606-N1628 HydrophobicContact CD1-CB 4.18Å; I1606-N1628 HydrophobicContact CG1-CB 4.3Å
1607P85.9Confident82.6Confident3 Ų330 Ų302%0.01916%0.16CC..PPolyproline II helixtrans-61.5135175.6-27.237.3000114.8I96 L97 Q100 L1610 L1621I96-P1607 HydrophobicContact CG2-CB 3.51Å; I96-P1607 HydrophobicContact CG2-CG 3.97Å; L97-P1607 HydrophobicContact CD2-CG 3.93Å; L97-P1607 HydrophobicContact CG-CG 4.47Å; Q100-P1607 HydrophobicContact CB-CB 3.93Å; Q100-P1607 HydrophobicContact CB-CG 4.18Å; Q100-P1607 HydrophobicContact CG-CB 4.27Å; P1607-L1610 WeakPolarHBondContact O-CA 3.35Å; P1607-L1610 WeakPolarHBondContact O-CB 3.38Å; P1607-L1610 PolarHBondContact O-N 3.1Å; P1607-L1621 VanDerWaalsContact CD-CD1 3.47Å; P1607-L1621 HydrophobicContact CG-CD1 4.15Å
1608E74.8Confident82.7Confident67 Ų6731.9 Ų31.931%0.31317%0.166SC..THydrogen-bonded Turntrans-66.5144.9169-67.8165.5-123.600110.4R688R688-E1608 WeakPolarHBondContact CG-OE1 3.25Å; R688-E1608 IonicContact CZ-OE1 2.81Å; R688-E1608 IonicContact NE-OE1 3.59Å; R688-E1608 PolarHBondContact NE-OE1 3.32Å; R688-E1608 IonicContact NH2-OE1 2.97Å; R688-E1608 PolarHBondContact NH2-OE1 3.07Å
1609P71.4Confident82.6Confident37 Ų3737.2 Ų37.224%0.2419%0.189CC..THydrogen-bonded Turncis-87.811.73.936.3-37.6000115.1K60 L166K60-P1609 PolarHBondContact NZ-O 3.13Å; L166-P1609 HydrophobicContact CD2-CG 4.27Å
1610L79.7Confident82.7Confident17 Ų1738.1 Ų38.19%0.08919%0.194CC..  trans-73.5149-179.1-61.1172.3000112.2L165 I1606 P1607 K1616 A1617L165-L1610 HydrophobicContact CD1-CD2 4.45Å; L165-L1610 HydrophobicContact CD2-CD1 4.2Å; L165-L1610 HydrophobicContact CD2-CD2 4.29Å; L165-L1610 HydrophobicContact CD2-CG 4.01Å; I1606-L1610 HydrophobicContact CG2-CB 3.92Å; P1607-L1610 WeakPolarHBondContact O-CA 3.35Å; P1607-L1610 WeakPolarHBondContact O-CB 3.38Å; P1607-L1610 PolarHBondContact O-N 3.1Å; L1610-K1616 HydrophobicContact CD2-CB 4.27Å; L1610-A1617 HydrophobicContact CB-CB 4.33Å
1611E78Confident83Confident9 Ų936.8 Ų36.84%0.04219%0.187CC..  trans-119.2158.7177.1-69.2178.4-152.900112.2K60 C699 Q1613 D1614 A1617K60-E1611 WeakPolarHBondContact CD-OE1 3.35Å; K60-E1611 WeakPolarHBondContact CE-OE1 3.3Å; K60-E1611 IonicContact NZ-OE1 3.72Å; K60-E1611 PolarHBondContact NZ-OE1 3.23Å; C699-E1611 VanDerWaalsContact CB-OE1 3.29Å; C699-E1611 WeakPolarHBondContact CB-OE1 3.42Å; C699-E1611 WeakPolarHBondContact CB-OE2 3.08Å; C699-E1611 PolarHBondContact SG-OE1 2.84Å; E1611-Q1613 PolarHBondContact O-N 3.32Å; E1611-D1614 PolarHBondContact N-OD2 3.31Å; E1611-D1614 PolarHBondContact O-N 3.37Å; E1611-D1614 VanDerWaalsContact O-N 3.08Å; E1611-A1617 VanDerWaalsContact O-CB 3.26Å; E1611-A1617 WeakPolarHBondContact O-CB 3.47Å
1612P79.1Confident83.2Confident20 Ų2036.9 Ų36.913%0.1319%0.187CC..THydrogen-bonded Turntrans-63.2-0.5178.2-18.629.6000115.3P1595 I1606 T1625 N1628 Y1629P1595-P1612 HydrophobicContact CB-CB 4.12Å; P1595-P1612 HydrophobicContact CB-CG 3.91Å; I1606-P1612 VanDerWaalsContact CD1-CA 3.43Å; I1606-P1612 HydrophobicContact CD1-CB 3.69Å; I1606-P1612 HydrophobicContact CD1-CG 3.59Å; P1612-T1625 HydrophobicContact CB-CG2 4.5Å; P1612-T1625 VanDerWaalsContact O-CG2 3.31Å; P1612-T1625 WeakPolarHBondContact O-CG2 3.23Å; P1612-N1628 HydrophobicContact CB-CB 4.14Å; P1612-N1628 HydrophobicContact CG-CB 3.87Å; P1612-Y1629 HydrophobicContact CB-CD2 4.33Å
1613Q75.8Confident83.4Confident15 Ų1537.7 Ų37.77%0.0719%0.19CC..THydrogen-bonded Turntrans-112-7.6-177-45.4-146.936.500112.7N1593 E1611 Y1629N1593-Q1613 PolarHBondContact O-NE2 2.91Å; E1611-Q1613 PolarHBondContact O-N 3.32Å; Q1613-Y1629 VanDerWaalsContact CD-CE2 3.42Å; Q1613-Y1629 HydrophobicContact CG-CD2 4.01Å; Q1613-Y1629 HydrophobicContact CG-CE2 3.63Å; Q1613-Y1629 PolarHBondContact OE1-OH 3.05Å
1614D79.7Confident83.7Confident36 Ų3635.8 Ų35.819%0.19318%0.181CC..  trans-80.6133.6-179.3-64.6-31.4000110.1E1611 K1616 A1617 Q1618E1611-D1614 PolarHBondContact N-OD2 3.31Å; E1611-D1614 PolarHBondContact O-N 3.37Å; E1611-D1614 VanDerWaalsContact O-N 3.08Å; D1614-K1616 PolarHBondContact O-N 2.82Å; D1614-A1617 HydrophobicContact CB-CB 4.18Å; D1614-A1617 WeakPolarHBondContact O-CB 3.32Å; D1614-A1617 PolarHBondContact O-N 2.94Å; D1614-Q1618 PolarHBondContact O-N 2.91Å; D1614-Q1618 VanDerWaalsContact O-N 3.17Å
1615D80.9Confident83.7Confident120 Ų12035.5 Ų35.564%0.64218%0.179SC*.Hα-helixtrans-62.3-33.2179.7-51.3-60.3000111.2A1617 Q1618 E1619D1615-A1617 VanDerWaalsContact C-N 3.33Å; D1615-A1617 PolarHBondContact O-N 2.99Å; D1615-Q1618 PolarHBondContact O-N 2.96Å; D1615-E1619 PolarHBondContact O-N 3.49Å
1616K83Confident83.9Confident99 Ų9934.6 Ų34.643%0.4317%0.172SC..Hα-helixtrans-61.4-35.2170.4-74.1-170.8174.9-173.10113.3L1610 D1614 E1619 I1620L1610-K1616 HydrophobicContact CD2-CB 4.27Å; D1614-K1616 PolarHBondContact O-N 2.82Å; K1616-E1619 PolarHBondContact O-N 3.38Å; K1616-I1620 WeakPolarHBondContact O-CB 3.48Å; K1616-I1620 WeakPolarHBondContact O-CD1 3.39Å; K1616-I1620 VanDerWaalsContact O-CG1 3.23Å; K1616-I1620 WeakPolarHBondContact O-CG1 3.41Å; K1616-I1620 PolarHBondContact O-N 3.22Å
1617A87.1Confident84.1Confident0 Ų034.7 Ų34.70%017%0.172CC..Hα-helixtrans-70.6-40.3176.800000110.7L1610 E1611 D1614 D1615 E1619 I1620 L1621 T1625L1610-A1617 HydrophobicContact CB-CB 4.33Å; E1611-A1617 VanDerWaalsContact O-CB 3.26Å; E1611-A1617 WeakPolarHBondContact O-CB 3.47Å; D1614-A1617 HydrophobicContact CB-CB 4.18Å; D1614-A1617 WeakPolarHBondContact O-CB 3.32Å; D1614-A1617 PolarHBondContact O-N 2.94Å; D1615-A1617 VanDerWaalsContact C-N 3.33Å; D1615-A1617 PolarHBondContact O-N 2.99Å; A1617-E1619 VanDerWaalsContact C-N 3.31Å; A1617-E1619 PolarHBondContact O-N 3.03Å; A1617-I1620 PolarHBondContact O-N 3.07Å; A1617-L1621 CarbonylContact O-C 3.42Å; A1617-L1621 WeakPolarHBondContact O-CA 3.22Å; A1617-L1621 PolarHBondContact O-N 3.33Å; A1617-T1625 VanDerWaalsContact C-OG1 3.27Å; A1617-T1625 HydrophobicContact CB-CG2 4.4Å; A1617-T1625 PolarHBondContact O-OG1 2.87Å
1618Q86.8Confident84.3Confident73 Ų7335.6 Ų35.634%0.34118%0.177SC..Hα-helixtrans-64.8-31.4174.2-64.7177.760.300112.9D1614 D1615 T1625D1614-Q1618 PolarHBondContact O-N 2.91Å; D1614-Q1618 VanDerWaalsContact O-N 3.17Å; D1615-Q1618 PolarHBondContact O-N 2.96Å; Q1618-T1625 HydrophobicContact CB-CG2 4.44Å; Q1618-T1625 HydrophobicContact CG-CG2 3.48Å; Q1618-T1625 VanDerWaalsContact CG-CG2 3.48Å
1619E85.8Confident84.7Confident127 Ų12734 Ų3459%0.59317%0.168SC*.Hα-helixtrans-72.6-50.7173.1-171.6-165.5150.400112.2D1615 K1616 A1617D1615-E1619 PolarHBondContact O-N 3.49Å; K1616-E1619 PolarHBondContact O-N 3.38Å; A1617-E1619 VanDerWaalsContact C-N 3.31Å; A1617-E1619 PolarHBondContact O-N 3.03Å
1620I88.2Confident85.3Confident22 Ų2233.6 Ų33.611%0.11316%0.162CC..Hα-helixtrans-84.7-30.8-168.4-60167.1000112.5S93 I96 K1616 A1617S93-I1620 WeakPolarHBondContact CB-O 3.4Å; I96-I1620 HydrophobicContact CD1-CG2 4.23Å; K1616-I1620 WeakPolarHBondContact O-CB 3.48Å; K1616-I1620 WeakPolarHBondContact O-CD1 3.39Å; K1616-I1620 VanDerWaalsContact O-CG1 3.23Å; K1616-I1620 WeakPolarHBondContact O-CG1 3.41Å; K1616-I1620 PolarHBondContact O-N 3.22Å; A1617-I1620 PolarHBondContact O-N 3.07Å
1621L90.7Very high85.4Confident1 Ų133.2 Ų33.21%0.00516%0.162CC..  trans-137.663.1-175.1-67177.4000111E88 L97 I1606 P1607 A1617 W1623 R1624 T1625E88-L1621 HydrophobicContact CG-CD2 4.34Å; L97-L1621 HydrophobicContact CD1-CD2 3.95Å; L97-L1621 HydrophobicContact CD2-CD1 4.32Å; L97-L1621 HydrophobicContact CD2-CD2 4.29Å; L97-L1621 HydrophobicContact CG-CD2 4.25Å; I1606-L1621 HydrophobicContact CG2-CD1 4.42Å; P1607-L1621 VanDerWaalsContact CD-CD1 3.47Å; P1607-L1621 HydrophobicContact CG-CD1 4.15Å; A1617-L1621 CarbonylContact O-C 3.42Å; A1617-L1621 WeakPolarHBondContact O-CA 3.22Å; A1617-L1621 PolarHBondContact O-N 3.33Å; L1621-W1623 PolarHBondContact O-N 3.03Å; L1621-R1624 HydrophobicContact CB-CB 4.3Å; L1621-T1625 WeakPolarHBondContact O-CB 3.34Å; L1621-T1625 PolarHBondContact O-N 2.99Å; L1621-T1625 PolarHBondContact O-OG1 3.17Å
1622P90.3Very high85.7Confident13 Ų1333.5 Ų33.58%0.08417%0.165CC..Hα-helixtrans-59.4-40.8-171.422.5-33.8000113.8R86 E88 M1626R86-P1622 HydrophobicContact CB-CG 4Å; E88-P1622 VanDerWaalsContact OE2-CD 3.23Å; E88-P1622 WeakPolarHBondContact OE2-CD 3.24Å; P1622-M1626 WeakPolarHBondContact O-CB 3.37Å; P1622-M1626 PolarHBondContact O-N 3Å; P1622-M1626 VanDerWaalsContact O-N 3.17Å
1623W91Very high86Confident26 Ų2632.9 Ų32.910%0.09816%0.16CC..Hα-helixtrans-76.6-47.9-177.7171.564.2000112.1E88 T1066 R1070 L1604 L1621 T1625 M1626 I1627E88-W1623 HydrophobicContact CG-CE3 4.39Å; E88-W1623 WeakPolarHBondContact OE2-CB 3.47Å; E88-W1623 PolarHBondContact OE2-N 3.38Å; T1066-W1623 HydrophobicContact CG2-CE3 4.09Å; T1066-W1623 HydrophobicContact CG2-CH2 3.89Å; T1066-W1623 HydrophobicContact CG2-CZ3 3.5Å; R1070-W1623 HydrophobicContact CG-CH2 4.34Å; R1070-W1623 HydrophobicContact CG-CZ2 3.77Å; L1604-W1623 HydrophobicContact CD1-CH2 3.8Å; L1604-W1623 HydrophobicContact CD1-CZ3 4.38Å; L1621-W1623 PolarHBondContact O-N 3.03Å; W1623-T1625 PolarHBondContact O-N 2.65Å; W1623-M1626 PolarHBondContact O-N 3.08Å; W1623-I1627 HydrophobicContact CH2-CD1 4.42Å; W1623-I1627 HydrophobicContact CZ2-CD1 4.07Å; W1623-I1627 PolarHBondContact O-N 3.11Å; W1623-I1627 VanDerWaalsContact O-N 3.08Å
1624R91Very high86.1Confident11 Ų1133.1 Ų33.14%0.04216%0.162CC..Hα-helixtrans-58.1-38.8173.9-78.8170.8-177-105.4-1.7111.8E88 Y184 S1605 L1621 I1627 N1628E88-R1624 VanDerWaalsContact OE1-CB 3.23Å; E88-R1624 WeakPolarHBondContact OE1-CB 3.15Å; E88-R1624 WeakPolarHBondContact OE1-CG 2.96Å; E88-R1624 PolarHBondContact OE1-N 3.23Å; Y184-R1624 PolarHBondContact OH-NH2 2.82Å; Y184-R1624 VanDerWaalsContact OH-NH2 3.14Å; S1605-R1624 PolarHBondContact O-NH1 2.83Å; L1621-R1624 HydrophobicContact CB-CB 4.3Å; R1624-I1627 WeakPolarHBondContact O-CG1 3.24Å; R1624-I1627 PolarHBondContact O-N 3.43Å; R1624-N1628 WeakPolarHBondContact O-CB 3.37Å; R1624-N1628 PolarHBondContact O-N 3.37Å; R1624-N1628 VanDerWaalsContact O-N 3.12Å; R1624-N1628 PolarHBondContact O-ND2 2.75Å
1625T89.8Confident86.2Confident4 Ų431.7 Ų31.73%0.02515%0.154CC..Hα-helixtrans-66.2-45179.5-58.40000111.9I1606 P1612 A1617 Q1618 L1621 W1623 I1627 N1628 Y1629I1606-T1625 HydrophobicContact CD1-CG2 4.32Å; P1612-T1625 HydrophobicContact CB-CG2 4.5Å; P1612-T1625 VanDerWaalsContact O-CG2 3.31Å; P1612-T1625 WeakPolarHBondContact O-CG2 3.23Å; A1617-T1625 VanDerWaalsContact C-OG1 3.27Å; A1617-T1625 HydrophobicContact CB-CG2 4.4Å; A1617-T1625 PolarHBondContact O-OG1 2.87Å; Q1618-T1625 HydrophobicContact CB-CG2 4.44Å; Q1618-T1625 HydrophobicContact CG-CG2 3.48Å; Q1618-T1625 VanDerWaalsContact CG-CG2 3.48Å; L1621-T1625 WeakPolarHBondContact O-CB 3.34Å; L1621-T1625 PolarHBondContact O-N 2.99Å; L1621-T1625 PolarHBondContact O-OG1 3.17Å; W1623-T1625 PolarHBondContact O-N 2.65Å; T1625-I1627 PolarHBondContact O-N 3.28Å; T1625-N1628 PolarHBondContact O-N 3.5Å; T1625-Y1629 WeakPolarHBondContact O-CB 3.36Å; T1625-Y1629 PolarHBondContact O-N 3.38Å
1626M88.3Confident85.9Confident13 Ų1327 Ų276%0.06413%0.129CC..Hα-helixtrans-57.6-48.4174.5-179.9-17965.700112.5E80 A83 P1622 W1623 N1628 Y1629 Y1630 L1634E80-M1626 VanDerWaalsContact CA-SD 3.58Å; E80-M1626 HydrophobicContact CB-CE 4.49Å; E80-M1626 HydrophobicContact CB-SD 3.91Å; E80-M1626 HydrophobicContact CG-CE 4.06Å; E80-M1626 HydrophobicContact CG-SD 4.13Å; A83-M1626 HydrophobicContact CB-CE 4.02Å; A83-M1626 HydrophobicContact CB-SD 4.09Å; P1622-M1626 WeakPolarHBondContact O-CB 3.37Å; P1622-M1626 PolarHBondContact O-N 3Å; P1622-M1626 VanDerWaalsContact O-N 3.17Å; W1623-M1626 PolarHBondContact O-N 3.08Å; M1626-N1628 VanDerWaalsContact C-N 3.26Å; M1626-N1628 PolarHBondContact O-N 3.35Å; M1626-Y1629 PolarHBondContact O-N 3.25Å; M1626-Y1630 HydrophobicContact CB-CD2 4.49Å; M1626-Y1630 HydrophobicContact CB-CE2 4.34Å; M1626-Y1630 HydrophobicContact CG-CD2 3.86Å; M1626-Y1630 HydrophobicContact CG-CE2 3.95Å; M1626-Y1630 WeakPolarHBondContact O-CD2 3.3Å; M1626-L1634 HydrophobicContact CE-CD2 3.77Å; M1626-L1634 HydrophobicContact CG-CD1 3.82Å; M1626-L1634 HydrophobicContact CG-CD2 4.38Å; M1626-L1634 HydrophobicContact SD-CD1 4.22Å; M1626-L1634 HydrophobicContact SD-CD2 3.88Å
1627I89.7Confident85.2Confident16 Ų1624.4 Ų24.48%0.08212%0.119CC..Hα-helixtrans-74.1-12.3-177.769.5178.5000113.9P1597 C1598 L1604 W1623 R1624 T1625P1597-I1627 WeakPolarHBondContact CA-O 3.37Å; C1598-I1627 HydrophobicContact CB-CB 4.22Å; C1598-I1627 VanDerWaalsContact CB-O 3.31Å; C1598-I1627 WeakPolarHBondContact CB-O 3.16Å; C1598-I1627 PolarHBondContact N-O 2.83Å; L1604-I1627 HydrophobicContact CB-CD1 4.36Å; L1604-I1627 HydrophobicContact CD1-CD1 4.45Å; W1623-I1627 HydrophobicContact CH2-CD1 4.42Å; W1623-I1627 HydrophobicContact CZ2-CD1 4.07Å; W1623-I1627 PolarHBondContact O-N 3.11Å; W1623-I1627 VanDerWaalsContact O-N 3.08Å; R1624-I1627 WeakPolarHBondContact O-CG1 3.24Å; R1624-I1627 PolarHBondContact O-N 3.43Å; T1625-I1627 PolarHBondContact O-N 3.28Å
1628N88.5Confident84.2Confident21 Ų2125.4 Ų25.411%0.11213%0.126CC..Hα-helixtrans-99.2-1.6176.8-79.5-85000114.1R1596 L1604 I1606 P1612 R1624 T1625 M1626R1596-N1628 CarbonylContact C-O 3.33Å; R1596-N1628 CarbonylContact O-C 3.58Å; L1604-N1628 PolarHBondContact O-ND2 3.14Å; I1606-N1628 HydrophobicContact CD1-CB 4.18Å; I1606-N1628 HydrophobicContact CG1-CB 4.3Å; P1612-N1628 HydrophobicContact CB-CB 4.14Å; P1612-N1628 HydrophobicContact CG-CB 3.87Å; R1624-N1628 WeakPolarHBondContact O-CB 3.37Å; R1624-N1628 PolarHBondContact O-N 3.37Å; R1624-N1628 VanDerWaalsContact O-N 3.12Å; R1624-N1628 PolarHBondContact O-ND2 2.75Å; T1625-N1628 PolarHBondContact O-N 3.5Å; M1626-N1628 VanDerWaalsContact C-N 3.26Å; M1626-N1628 PolarHBondContact O-N 3.35Å
1629Y83.9Confident83.1Confident35 Ų3522.4 Ų22.414%0.13711%0.113CC..Hα-helixtrans-115.6-47.4-172.1-171.6-126.7000115.7F71 P1595 R1596 P1612 Q1613 T1625 M1626 G1631F71-Y1629 HydrophobicContact CE1-CE1 4.39Å; F71-Y1629 AromaticContact CZ-CE1 3.82Å; F71-Y1629 HydrophobicContact CZ-CE1 3.82Å; P1595-Y1629 HydrophobicContact CB-CD2 3.95Å; R1596-Y1629 PolarHBondContact N-O 3.36Å; R1596-Y1629 CarbonylContact O-C 3.58Å; R1596-Y1629 PolarHBondContact O-N 2.94Å; P1612-Y1629 HydrophobicContact CB-CD2 4.33Å; Q1613-Y1629 VanDerWaalsContact CD-CE2 3.42Å; Q1613-Y1629 HydrophobicContact CG-CD2 4.01Å; Q1613-Y1629 HydrophobicContact CG-CE2 3.63Å; Q1613-Y1629 PolarHBondContact OE1-OH 3.05Å; T1625-Y1629 WeakPolarHBondContact O-CB 3.36Å; T1625-Y1629 PolarHBondContact O-N 3.38Å; M1626-Y1629 PolarHBondContact O-N 3.25Å; Y1629-G1631 PolarHBondContact O-N 3.33Å
1630Y83.3Confident82.5Confident27 Ų2716.8 Ų16.811%0.1069%0.087CC..BIsolated β-bridgetrans-85.36.8-162.2-62.8-70.4000116.5F71 L76 R79 M1626 L1634F71-Y1630 HydrophobicContact CD1-CE1 4.23Å; F71-Y1630 HydrophobicContact CE1-CD1 4.29Å; F71-Y1630 AromaticContact CE1-CE1 3.82Å; F71-Y1630 HydrophobicContact CE1-CE1 3.82Å; F71-Y1630 HydrophobicContact CZ-CD1 4.31Å; F71-Y1630 HydrophobicContact CZ-CE1 4.16Å; L76-Y1630 HydrophobicContact CD2-CD1 3.39Å; L76-Y1630 HydrophobicContact CD2-CD2 4.3Å; L76-Y1630 HydrophobicContact CD2-CE1 3.43Å; L76-Y1630 VanDerWaalsContact CD2-CE1 3.43Å; L76-Y1630 HydrophobicContact CD2-CE2 4.36Å; L76-Y1630 HydrophobicContact CD2-CG 3.86Å; R79-Y1630 WeakPolarHBondContact CD-OH 3.37Å; R79-Y1630 PolarHBondContact NH1-OH 3.2Å; M1626-Y1630 HydrophobicContact CB-CD2 4.49Å; M1626-Y1630 HydrophobicContact CB-CE2 4.34Å; M1626-Y1630 HydrophobicContact CG-CD2 3.86Å; M1626-Y1630 HydrophobicContact CG-CE2 3.95Å; M1626-Y1630 WeakPolarHBondContact O-CD2 3.3Å; Y1630-L1634 HydrophobicContact CD2-CD1 4.28Å
1631G82.8Confident82.1Confident9 Ų918.3 Ų18.39%0.0939%0.092CC..  trans104177.1178.100000115.2R1596 P1597 C1598 Y1629 Y1633R1596-G1631 PolarHBondContact O-N 3.49Å; P1597-G1631 CarbonylContact O-C 3.18Å; C1598-G1631 VanDerWaalsContact CA-O 3.32Å; C1598-G1631 WeakPolarHBondContact CA-O 3.28Å; C1598-G1631 PolarHBondContact N-O 3.12Å; Y1629-G1631 PolarHBondContact O-N 3.33Å; G1631-Y1633 VanDerWaalsContact C-N 3.26Å; G1631-Y1633 PolarHBondContact O-N 2.84Å
1632P84.2Confident81.7Confident15 Ų1519.6 Ų19.610%0.09710%0.099CC..SBendtrans-61.2-32.2-168.522.2-33.4000113.4E965 C1598 V1599E965-P1632 HydrophobicContact CG-CG 4.18Å; E965-P1632 WeakPolarHBondContact OE2-CG 3.44Å; C1598-P1632 WeakPolarHBondContact CA-O 3.5Å; C1598-P1632 PolarHBondContact SG-O 3.4Å; C1598-P1632 VanDerWaalsContact SG-O 3.41Å; V1599-P1632 HydrophobicContact CG1-CB 3.87Å; V1599-P1632 PolarHBondContact N-O 3.37Å
1633Y86.2Confident81.5Confident8 Ų819.3 Ų19.33%0.03110%0.096CC..SBendtrans-124110.8177.2-65.5-31.5000112.2K206 S962 E965 S966 V1599 G1631 Q1635 L1636K206-Y1633 WeakPolarHBondContact CA-OH 3.44Å; K206-Y1633 HydrophobicContact CB-CD1 4.06Å; K206-Y1633 HydrophobicContact CB-CD2 4.47Å; K206-Y1633 HydrophobicContact CB-CE1 3.67Å; K206-Y1633 HydrophobicContact CB-CE2 4.09Å; K206-Y1633 HydrophobicContact CB-CG 4.46Å; K206-Y1633 HydrophobicContact CD-CD1 3.87Å; K206-Y1633 HydrophobicContact CD-CE1 4.35Å; K206-Y1633 HydrophobicContact CD-CG 4.02Å; K206-Y1633 HydrophobicContact CG-CD1 3.83Å; K206-Y1633 HydrophobicContact CG-CD2 3.91Å; K206-Y1633 HydrophobicContact CG-CE1 3.96Å; K206-Y1633 HydrophobicContact CG-CE2 4.01Å; K206-Y1633 HydrophobicContact CG-CG 3.83Å; S962-Y1633 WeakPolarHBondContact CA-OH 3.34Å; S962-Y1633 PolarHBondContact O-OH 2.82Å; S962-Y1633 PolarHBondContact OG-OH 3.33Å; E965-Y1633 HydrophobicContact CB-CE2 4Å; E965-Y1633 HydrophobicContact CG-CD2 3.61Å; E965-Y1633 HydrophobicContact CG-CE2 3.35Å; S966-Y1633 PolarHBondContact OG-OH 3.21Å; V1599-Y1633 HydrophobicContact CG2-CD1 4.13Å; V1599-Y1633 HydrophobicContact CG2-CE1 3.86Å; G1631-Y1633 VanDerWaalsContact C-N 3.26Å; G1631-Y1633 PolarHBondContact O-N 2.84Å; Y1633-Q1635 PolarHBondContact O-N 3.37Å; Y1633-L1636 CarbonylContact O-C 3.55Å; Y1633-L1636 PolarHBondContact O-N 2.7Å
1634L77.4Confident81.2Confident20 Ų2019 Ų1911%0.10510%0.096CC..THydrogen-bonded Turntrans-57.3136.5169.4-158.771.6000110.3E80 K206 M1626 Y1630 L1636E80-L1634 HydrophobicContact CB-CD2 4.39Å; E80-L1634 HydrophobicContact CG-CD2 3.85Å; K206-L1634 PolarHBondContact NZ-O 3.11Å; M1626-L1634 HydrophobicContact CE-CD2 3.77Å; M1626-L1634 HydrophobicContact CG-CD1 3.82Å; M1626-L1634 HydrophobicContact CG-CD2 4.38Å; M1626-L1634 HydrophobicContact SD-CD1 4.22Å; M1626-L1634 HydrophobicContact SD-CD2 3.88Å; Y1630-L1634 HydrophobicContact CD2-CD1 4.28Å; L1634-L1636 PolarHBondContact O-N 2.73Å
1635Q80.7Confident80.9Confident5 Ų521 Ų212%0.02311%0.105CC..THydrogen-bonded Turntrans65-5-170.2-43.1-52.9-13.100117.6Q73 L76 M77 E80 I1192 Y1633Q73-Q1635 PolarHBondContact NE2-O 3.16Å; L76-Q1635 VanDerWaalsContact C-NE2 3.32Å; L76-Q1635 PolarHBondContact O-NE2 3.27Å; M77-Q1635 HydrophobicContact CG-CG 4.34Å; E80-Q1635 PolarHBondContact OE2-NE2 2.89Å; I1192-Q1635 HydrophobicContact CD1-CB 4.29Å; I1192-Q1635 HydrophobicContact CD1-CG 4.4Å; Y1633-Q1635 PolarHBondContact O-N 3.37Å
1636L76.5Confident80.9Confident23 Ų2321.1 Ų21.112%0.1211%0.106CC..  trans-123.366177.7-66.4-177.4000111.9K206 W207 Y210 L1196 Y1633 L1634 S1638K206-L1636 HydrophobicContact CD-CD1 4.43Å; K206-L1636 HydrophobicContact CG-CD1 3.91Å; W207-L1636 HydrophobicContact CE3-CD1 4.33Å; W207-L1636 HydrophobicContact CH2-CD1 3.65Å; W207-L1636 HydrophobicContact CH2-CD2 3.83Å; W207-L1636 HydrophobicContact CH2-CG 3.91Å; W207-L1636 HydrophobicContact CZ2-CD1 3.92Å; W207-L1636 HydrophobicContact CZ2-CG 4.31Å; W207-L1636 HydrophobicContact CZ3-CD1 3.87Å; W207-L1636 HydrophobicContact CZ3-CD2 4.2Å; W207-L1636 HydrophobicContact CZ3-CG 4.47Å; Y210-L1636 HydrophobicContact CE2-CD1 4.27Å; L1196-L1636 HydrophobicContact CD1-CD2 3.98Å; L1196-L1636 HydrophobicContact CD2-CD2 4.27Å; Y1633-L1636 CarbonylContact O-C 3.55Å; Y1633-L1636 PolarHBondContact O-N 2.7Å; L1634-L1636 PolarHBondContact O-N 2.73Å; L1636-S1638 PolarHBondContact O-N 3.29Å
1637N67.5Low80.9Confident44 Ų4420.5 Ų20.524%0.23510%0.103CC..  trans-77.6106175.1-175.1-2.4000111S1639 W1640N1637-S1639 PolarHBondContact OD1-N 2.7Å; N1637-S1639 VanDerWaalsContact OD1-N 3.14Å; N1637-S1639 PolarHBondContact OD1-OG 3.05Å; N1637-W1640 VanDerWaalsContact O-CD1 3.32Å; N1637-W1640 PolarHBondContact O-NE1 3.32Å
1638S65.2Low80.8Confident20 Ų2023 Ų2314%0.1411%0.111CC..  trans-91.7-15.1179.770.20000114.5E965 R968 L1636 W1640 K1641E965-S1638 WeakPolarHBondContact OE1-CB 3.36Å; E965-S1638 PolarHBondContact OE1-OG 2.99Å; R968-S1638 PolarHBondContact NH1-OG 2.77Å; L1636-S1638 PolarHBondContact O-N 3.29Å; S1638-W1640 VanDerWaalsContact C-N 3.25Å; S1638-W1640 PolarHBondContact O-N 3.22Å; S1638-K1641 WeakPolarHBondContact O-CB 3.46Å; S1638-K1641 PolarHBondContact O-N 2.96Å
1639S64.5Low80.8Confident10 Ų1022.4 Ų22.47%0.0711%0.108CC..G310 helixtrans-60.2-32-158.664.70000114.1Q68 N1637 K1641 Q1642Q68-S1639 PolarHBondContact NE2-OG 3.48Å; Q68-S1639 PolarHBondContact OE1-OG 3.28Å; N1637-S1639 PolarHBondContact OD1-N 2.7Å; N1637-S1639 VanDerWaalsContact OD1-N 3.14Å; N1637-S1639 PolarHBondContact OD1-OG 3.05Å; S1639-K1641 PolarHBondContact O-N 2.9Å; S1639-Q1642 PolarHBondContact O-N 2.96Å
1640W73.6Confident81Confident10 Ų1020.8 Ų20.84%0.03810%0.102CC..G310 helixtrans-63.2-21.1179.254.8-87.2000114.4E1327 H1426 N1637 S1638 Q1642 I1643E1327-W1640 HydrophobicContact CB-CH2 4.41Å; E1327-W1640 HydrophobicContact CG-CH2 3.98Å; E1327-W1640 HydrophobicContact CG-CZ2 4.32Å; H1426-W1640 AromaticContact CD2-CZ3 3.9Å; H1426-W1640 AromaticContact CE1-CE3 3.51Å; H1426-W1640 AromaticContact CE1-CZ3 4Å; H1426-W1640 AromaticContact NE2-CE3 3.47Å; H1426-W1640 AromaticContact NE2-CZ3 3.46Å; H1426-W1640 WeakPolarHBondContact NE2-CZ3 3.18Å; N1637-W1640 VanDerWaalsContact O-CD1 3.32Å; N1637-W1640 PolarHBondContact O-NE1 3.32Å; S1638-W1640 VanDerWaalsContact C-N 3.25Å; S1638-W1640 PolarHBondContact O-N 3.22Å; W1640-Q1642 PolarHBondContact O-N 3.11Å; W1640-I1643 HydrophobicContact CB-CD1 4.39Å; W1640-I1643 WeakPolarHBondContact O-CD1 3.36Å; W1640-I1643 WeakPolarHBondContact O-CG1 3.29Å
1641K78.6Confident81.2Confident53 Ų5320 Ų2023%0.2310%0.099CC..G310 helixtrans-73.6-12174.7-56.8-176.6-172.1176.50113T972 E1327 S1638 S1639T972-K1641 HydrophobicContact CG2-CB 3.97Å; T972-K1641 HydrophobicContact CG2-CD 3.54Å; T972-K1641 HydrophobicContact CG2-CG 4.37Å; E1327-K1641 WeakPolarHBondContact OE1-CE 3.38Å; E1327-K1641 IonicContact OE1-NZ 2.77Å; E1327-K1641 PolarHBondContact OE1-NZ 3.13Å; S1638-K1641 WeakPolarHBondContact O-CB 3.46Å; S1638-K1641 PolarHBondContact O-N 2.96Å; S1639-K1641 PolarHBondContact O-N 2.9Å
1642Q82Confident81.4Confident29 Ų2919.9 Ų19.914%0.13610%0.098CC..G310 helixtrans-98.95.6179.9-62.9-158.8-90.900114.6S1639 W1640 E1644 H1645 N1646S1639-Q1642 PolarHBondContact O-N 2.96Å; W1640-Q1642 PolarHBondContact O-N 3.11Å; Q1642-E1644 VanDerWaalsContact C-N 3.34Å; Q1642-E1644 PolarHBondContact O-N 3.43Å; Q1642-H1645 PolarHBondContact NE2-CD2 2.95Å; Q1642-H1645 PolarHBondContact O-N 2.78Å; Q1642-H1645 VanDerWaalsContact O-N 3.14Å; Q1642-N1646 WeakPolarHBondContact O-CB 3.41Å; Q1642-N1646 PolarHBondContact O-N 3.18Å
1643I86.7Confident81.6Confident6 Ų619.3 Ų19.33%0.03110%0.095CC..Hα-helixtrans-53.9-49.3-175.1-71.6167000111.8D1427 H1430 F1553 L1591 W1640 H1645 N1646 I1647D1427-I1643 HydrophobicContact CB-CD1 3.94Å; D1427-I1643 WeakPolarHBondContact OD1-CD1 3.44Å; H1430-I1643 HydrophobicContact CB-CB 3.97Å; H1430-I1643 HydrophobicContact CB-CG2 3.74Å; F1553-I1643 HydrophobicContact CE1-CG2 3.92Å; F1553-I1643 HydrophobicContact CZ-CD1 4.19Å; F1553-I1643 HydrophobicContact CZ-CG1 4.36Å; F1553-I1643 HydrophobicContact CZ-CG2 3.73Å; L1591-I1643 HydrophobicContact CD2-CB 4.43Å; L1591-I1643 HydrophobicContact CD2-CG1 4.03Å; L1591-I1643 HydrophobicContact CD2-CG2 4.47Å; W1640-I1643 HydrophobicContact CB-CD1 4.39Å; W1640-I1643 WeakPolarHBondContact O-CD1 3.36Å; W1640-I1643 WeakPolarHBondContact O-CG1 3.29Å; I1643-H1645 PolarHBondContact O-N 3Å; I1643-N1646 PolarHBondContact O-N 3.43Å; I1643-I1647 HydrophobicContact CG2-CD1 3.86Å; I1643-I1647 WeakPolarHBondContact O-CG1 3.17Å; I1643-I1647 PolarHBondContact O-N 2.91Å; I1643-I1647 VanDerWaalsContact O-N 3.08Å
1644E85.4Confident81.7Confident20 Ų2019 Ų199%0.0939%0.093CC..Hα-helixtrans-63.3-42.3179.9-155.9-146.2159.700112.3A1434 R1437 Q1642 I1647 R1648A1434-E1644 HydrophobicContact CB-CB 4.34Å; A1434-E1644 HydrophobicContact CB-CG 3.59Å; R1437-E1644 VanDerWaalsContact CD-OE1 3.28Å; R1437-E1644 WeakPolarHBondContact CD-OE1 3.2Å; R1437-E1644 IonicContact CZ-OE1 2.65Å; R1437-E1644 IonicContact NE-OE1 3.63Å; R1437-E1644 IonicContact NH1-OE1 3.19Å; R1437-E1644 PolarHBondContact NH1-OE1 3.32Å; R1437-E1644 IonicContact NH1-OE2 2.75Å; Q1642-E1644 VanDerWaalsContact C-N 3.34Å; Q1642-E1644 PolarHBondContact O-N 3.43Å; E1644-I1647 PolarHBondContact O-N 2.86Å; E1644-R1648 WeakPolarHBondContact O-CB 3.41Å; E1644-R1648 WeakPolarHBondContact O-CG 3.47Å; E1644-R1648 PolarHBondContact O-N 3.39Å; E1644-R1648 IonicContact OE1-CZ 3.62Å; E1644-R1648 IonicContact OE1-NE 3.97Å; E1644-R1648 PolarHBondContact OE1-NE 2.94Å; E1644-R1648 IonicContact OE1-NH2 3.24Å; E1644-R1648 PolarHBondContact OE1-NH2 3.19Å; E1644-R1648 IonicContact OE2-CZ 3.92Å; E1644-R1648 IonicContact OE2-NE 3.23Å; E1644-R1648 IonicContact OE2-NH2 2.69Å; E1644-R1648 PolarHBondContact OE2-NH2 3.05Å
1645H84.7Confident82.1Confident52 Ų5221.1 Ų21.124%0.24110%0.102CC..Hα-helixtrans-64-44.4178.1171.668.4000112.3E508 Q1642 I1643 R1648 L1649E508-H1645 VanDerWaalsContact CB-CE1 3.43Å; E508-H1645 WeakPolarHBondContact CB-CE1 3.16Å; E508-H1645 IonicContact OE2-CE1 3.33Å; E508-H1645 IonicContact OE2-CG 2.74Å; E508-H1645 IonicContact OE2-ND1 2.84Å; E508-H1645 PolarHBondContact OE2-ND1 3.35Å; Q1642-H1645 PolarHBondContact NE2-CD2 2.95Å; Q1642-H1645 PolarHBondContact O-N 2.78Å; Q1642-H1645 VanDerWaalsContact O-N 3.14Å; I1643-H1645 PolarHBondContact O-N 3Å; H1645-R1648 PolarHBondContact O-N 3.01Å; H1645-L1649 WeakPolarHBondContact O-CB 3.02Å; H1645-L1649 PolarHBondContact O-N 2.7Å
1646N89.1Confident81.9Confident7 Ų724 Ų244%0.03712%0.121CC..Hα-helixtrans-64.7-42179.5-73-16.4000111.4P1587 E1590 L1591 Q1642 I1643 C1650P1587-N1646 HydrophobicContact CB-CB 3.88Å; P1587-N1646 WeakPolarHBondContact CB-O 3.35Å; E1590-N1646 WeakPolarHBondContact CB-ND2 3.45Å; L1591-N1646 HydrophobicContact CD1-CB 4.08Å; L1591-N1646 HydrophobicContact CD2-CB 4.14Å; L1591-N1646 HydrophobicContact CG-CB 3.99Å; Q1642-N1646 WeakPolarHBondContact O-CB 3.41Å; Q1642-N1646 PolarHBondContact O-N 3.18Å; I1643-N1646 PolarHBondContact O-N 3.43Å; N1646-C1650 PolarHBondContact O-N 3.42Å
1647I89.4Confident82.1Confident1 Ų127.9 Ų27.91%0.00515%0.145CC..Hα-helixtrans-64.4-43.3174.4-67.7167.7000111.1Y1431 A1434 F1553 F1556 L1591 I1643 E1644Y1431-I1647 HydrophobicContact CD2-CD1 3.72Å; Y1431-I1647 HydrophobicContact CE2-CD1 4.47Å; Y1431-I1647 HydrophobicContact CG-CD1 4.31Å; A1434-I1647 HydrophobicContact CB-CB 3.79Å; A1434-I1647 HydrophobicContact CB-CD1 3.94Å; A1434-I1647 HydrophobicContact CB-CG1 4.49Å; A1434-I1647 HydrophobicContact CB-CG2 3.55Å; F1553-I1647 HydrophobicContact CE1-CD1 4.22Å; F1556-I1647 HydrophobicContact CE1-CG1 4.17Å; F1556-I1647 HydrophobicContact CE1-CG2 4.39Å; F1556-I1647 HydrophobicContact CE2-CG2 3.92Å; F1556-I1647 HydrophobicContact CZ-CB 4.25Å; F1556-I1647 HydrophobicContact CZ-CG1 4.36Å; F1556-I1647 HydrophobicContact CZ-CG2 3.74Å; L1591-I1647 HydrophobicContact CD1-CG1 4.11Å; I1643-I1647 HydrophobicContact CG2-CD1 3.86Å; I1643-I1647 WeakPolarHBondContact O-CG1 3.17Å; I1643-I1647 PolarHBondContact O-N 2.91Å; I1643-I1647 VanDerWaalsContact O-N 3.08Å; E1644-I1647 PolarHBondContact O-N 2.86Å
1648R86.6Confident82.9Confident68 Ų6826.5 Ų26.526%0.25714%0.138SC..Hα-helixtrans-65.8-39.9177.9-74.9-167-94.3113.10.4112.6E508 E1644 H1645 C1650 L1651 A1652E508-R1648 HydrophobicContact CG-CB 4.02Å; E508-R1648 VanDerWaalsContact OE1-CB 3.31Å; E508-R1648 WeakPolarHBondContact OE1-CB 3.43Å; E508-R1648 WeakPolarHBondContact OE1-CD 3.49Å; E508-R1648 IonicContact OE1-CZ 3.88Å; E508-R1648 IonicContact OE1-NE 2.82Å; E508-R1648 IonicContact OE1-NH1 3.15Å; E508-R1648 PolarHBondContact OE1-NH1 3.1Å; E508-R1648 IonicContact OE2-CZ 3.97Å; E508-R1648 IonicContact OE2-NH1 2.69Å; E508-R1648 PolarHBondContact OE2-NH1 3.05Å; E1644-R1648 WeakPolarHBondContact O-CB 3.41Å; E1644-R1648 WeakPolarHBondContact O-CG 3.47Å; E1644-R1648 PolarHBondContact O-N 3.39Å; E1644-R1648 IonicContact OE1-CZ 3.62Å; E1644-R1648 IonicContact OE1-NE 3.97Å; E1644-R1648 PolarHBondContact OE1-NE 2.94Å; E1644-R1648 IonicContact OE1-NH2 3.24Å; E1644-R1648 PolarHBondContact OE1-NH2 3.19Å; E1644-R1648 IonicContact OE2-CZ 3.92Å; E1644-R1648 IonicContact OE2-NE 3.23Å; E1644-R1648 IonicContact OE2-NH2 2.69Å; E1644-R1648 PolarHBondContact OE2-NH2 3.05Å; H1645-R1648 PolarHBondContact O-N 3.01Å; R1648-C1650 PolarHBondContact O-N 3.35Å; R1648-L1651 PolarHBondContact O-N 2.97Å; R1648-L1651 VanDerWaalsContact O-N 3.13Å; R1648-A1652 PolarHBondContact O-N 3.36Å; R1648-A1652 VanDerWaalsContact O-N 3.09Å
1649L89Confident83.6Confident9 Ų927.8 Ų27.85%0.04714%0.14CC..Hα-helixtrans-61.1-43.1-178176.149.3000112R506 E508 N1583 P1587 H1645 L1651 A1652R506-L1649 WeakPolarHBondContact O-CD2 3.4Å; E508-L1649 HydrophobicContact CB-CB 4.08Å; E508-L1649 HydrophobicContact CB-CD1 4.24Å; E508-L1649 HydrophobicContact CG-CB 4.2Å; N1583-L1649 WeakPolarHBondContact CB-O 3.31Å; P1587-L1649 HydrophobicContact CG-CB 3.94Å; P1587-L1649 HydrophobicContact CG-CD2 3.69Å; P1587-L1649 HydrophobicContact CG-CG 3.69Å; H1645-L1649 WeakPolarHBondContact O-CB 3.02Å; H1645-L1649 PolarHBondContact O-N 2.7Å; L1649-L1651 PolarHBondContact O-N 3.46Å; L1649-A1652 PolarHBondContact O-N 3.01Å
1650C88.3Confident84.3Confident0 Ų028.8 Ų28.80%015%0.146CC..THydrogen-bonded Turntrans-49-25.9174.9-71.50000114.6F1556 I1560 N1646 R1648F1556-C1650 HydrophobicContact CZ-CB 4.2Å; I1560-C1650 HydrophobicContact CG2-CB 4.32Å; N1646-C1650 PolarHBondContact O-N 3.42Å; R1648-C1650 PolarHBondContact O-N 3.35Å
1651L87.8Confident84.8Confident11 Ų1130.4 Ų30.46%0.05816%0.157CC..THydrogen-bonded Turntrans-123.61.6-169.3-63169.7000113.3L1438 F1556 I1560 L1564 L1580 R1648 L1649 G1653 L1654 V1662L1438-L1651 HydrophobicContact CD1-CD1 3.51Å; L1438-L1651 HydrophobicContact CD2-CB 4.42Å; L1438-L1651 HydrophobicContact CD2-CD1 3.54Å; L1438-L1651 HydrophobicContact CG-CD1 4.04Å; F1556-L1651 HydrophobicContact CE2-CD1 4.25Å; I1560-L1651 HydrophobicContact CD1-CD1 4.31Å; I1560-L1651 HydrophobicContact CD1-CD2 3.84Å; I1560-L1651 HydrophobicContact CD1-CG 4.34Å; L1564-L1651 HydrophobicContact CD2-CD2 4.3Å; L1580-L1651 HydrophobicContact CD1-CD2 3.8Å; R1648-L1651 PolarHBondContact O-N 2.97Å; R1648-L1651 VanDerWaalsContact O-N 3.13Å; L1649-L1651 PolarHBondContact O-N 3.46Å; L1651-G1653 VanDerWaalsContact C-N 3.3Å; L1651-G1653 PolarHBondContact O-N 3.04Å; L1651-L1654 HydrophobicContact CD2-CD1 3.54Å; L1651-L1654 HydrophobicContact CD2-CG 4.38Å; L1651-L1654 PolarHBondContact O-N 3.44Å; L1651-V1662 HydrophobicContact CD1-CG1 3.93Å; L1651-V1662 HydrophobicContact CD2-CG1 4.1Å; L1651-V1662 HydrophobicContact CD2-CG2 3.94Å
1652A86.6Confident85Confident7 Ų728.3 Ų28.36%0.05815%0.149CC..THydrogen-bonded Turntrans-60.9-36.8-17800000112.9E508 V511 K512 R1648 L1649 L1654E508-A1652 HydrophobicContact CG-CB 4.39Å; V511-A1652 HydrophobicContact CB-CB 4.11Å; V511-A1652 HydrophobicContact CG1-CB 3.81Å; K512-A1652 HydrophobicContact CB-CB 4.21Å; R1648-A1652 PolarHBondContact O-N 3.36Å; R1648-A1652 VanDerWaalsContact O-N 3.09Å; L1649-A1652 PolarHBondContact O-N 3.01Å; A1652-L1654 VanDerWaalsContact C-N 3.31Å; A1652-L1654 PolarHBondContact O-N 2.8Å
1653G86.9Confident84.7Confident3 Ų328.5 Ų28.53%0.03115%0.15CC..THydrogen-bonded Turntrans-79.40.517900000115.6M515 E1579 L1651M515-G1653 VanDerWaalsContact CE-O 3.31Å; M515-G1653 WeakPolarHBondContact CE-O 3.34Å; E1579-G1653 WeakPolarHBondContact OE2-CA 3.36Å; L1651-G1653 VanDerWaalsContact C-N 3.3Å; L1651-G1653 PolarHBondContact O-N 3.04Å
1654L88.6Confident84.5Confident1 Ų130.1 Ų30.11%0.00517%0.168CC..SBendtrans-81.8129177.5-65.3-173.6000111.8F1568 A1576 L1651 A1652 D1658 R1659 V1662F1568-L1654 HydrophobicContact CE2-CD1 4.43Å; F1568-L1654 HydrophobicContact CE2-CD2 3.94Å; F1568-L1654 HydrophobicContact CZ-CD1 4.18Å; F1568-L1654 HydrophobicContact CZ-CD2 3.94Å; A1576-L1654 HydrophobicContact CB-CD2 3.98Å; L1651-L1654 HydrophobicContact CD2-CD1 3.54Å; L1651-L1654 HydrophobicContact CD2-CG 4.38Å; L1651-L1654 PolarHBondContact O-N 3.44Å; A1652-L1654 VanDerWaalsContact C-N 3.31Å; A1652-L1654 PolarHBondContact O-N 2.8Å; L1654-D1658 HydrophobicContact CB-CB 4.4Å; L1654-R1659 HydrophobicContact CB-CG 4.12Å; L1654-R1659 PolarHBondContact O-NE 3.37Å; L1654-R1659 PolarHBondContact O-NH2 2.81Å; L1654-V1662 HydrophobicContact CD1-CG2 3.58Å
1655K85.7Confident84.6Confident65 Ų6530.9 Ų30.928%0.28317%0.171SC..  trans-58.2148.2172.1-57.4169.2-173.5168.90109.3M515 D1575 V1657 D1658M515-K1655 HydrophobicContact SD-CG 3.88Å; D1575-K1655 IonicContact OD2-NZ 2.72Å; D1575-K1655 PolarHBondContact OD2-NZ 3.35Å; K1655-V1657 HydrophobicContact CB-CG2 4.07Å; K1655-V1657 PolarHBondContact O-N 2.67Å; K1655-D1658 PolarHBondContact O-N 2.94Å
1656P77.1Confident84.5Confident66 Ų6628.6 Ų28.643%0.42916%0.161SC..THydrogen-bonded Turntrans-56.2-24.8-176.9-28.636000115.2
1657V80.4Confident84.2Confident103 Ų10333 Ų3362%0.62418%0.184SC*.THydrogen-bonded Turntrans-74.3-23.1176.3-66.10000114.4K1655 P1660K1655-V1657 HydrophobicContact CB-CG2 4.07Å; K1655-V1657 PolarHBondContact O-N 2.67Å; V1657-P1660 WeakPolarHBondContact O-CD 3.48Å
1658D84.8Confident83.9Confident16 Ų1635 Ų359%0.08620%0.201CC..THydrogen-bonded Turntrans-92.5-23.7-176.4-65.9-47.6000112.8F1568 N1573 L1654 K1655 P1660 T1661F1568-D1658 HydrophobicContact CE1-CB 4.03Å; F1568-D1658 HydrophobicContact CZ-CB 4.12Å; N1573-D1658 VanDerWaalsContact ND2-CG 3.29Å; N1573-D1658 PolarHBondContact ND2-OD1 3.09Å; N1573-D1658 PolarHBondContact ND2-OD2 2.88Å; L1654-D1658 HydrophobicContact CB-CB 4.4Å; K1655-D1658 PolarHBondContact O-N 2.94Å; D1658-P1660 VanDerWaalsContact C-CD 3.45Å; D1658-T1661 VanDerWaalsContact O-CB 3.24Å; D1658-T1661 WeakPolarHBondContact O-CB 3.36Å; D1658-T1661 PolarHBondContact O-N 3.01Å; D1658-T1661 PolarHBondContact O-OG1 3.06Å
1659R79.4Confident84Confident46 Ų4632 Ų3217%0.17419%0.189CC..Hα-helixtrans-57.6-34.4179.2-61.8-180-168.8174.31.4114.5E516 L1654 T1661 V1662 H1663E516-R1659 IonicContact OE1-NH1 2.73Å; L1654-R1659 HydrophobicContact CB-CG 4.12Å; L1654-R1659 PolarHBondContact O-NE 3.37Å; L1654-R1659 PolarHBondContact O-NH2 2.81Å; R1659-T1661 VanDerWaalsContact C-N 3.29Å; R1659-T1661 PolarHBondContact O-N 3.35Å; R1659-V1662 WeakPolarHBondContact O-CB 3.23Å; R1659-V1662 PolarHBondContact O-N 3.04Å; R1659-H1663 PolarHBondContact O-ND1 3.32Å
1660P79.2Confident83.8Confident31 Ų3133.9 Ų33.920%0.20120%0.2CC..Hα-helixtrans-62.5-30.4171.6-25.336.2000114.1V1657 D1658 V1662 H1663 G1664V1657-P1660 WeakPolarHBondContact O-CD 3.48Å; D1658-P1660 VanDerWaalsContact C-CD 3.45Å; P1660-V1662 VanDerWaalsContact C-N 3.31Å; P1660-V1662 PolarHBondContact O-N 2.88Å; P1660-H1663 PolarHBondContact O-N 2.8Å; P1660-G1664 PolarHBondContact O-N 2.98Å
1661T83.7Confident83.6Confident45 Ų4538.5 Ų38.528%0.27622%0.224SC..Hα-helixtrans-63.4-39178.3-49.40000111L1564 T1567 F1568 D1658 R1659 H1663 G1664 E1665L1564-T1661 HydrophobicContact CD1-CG2 4Å; T1567-T1661 HydrophobicContact CG2-CG2 3.79Å; F1568-T1661 HydrophobicContact CE1-CG2 4.43Å; D1658-T1661 VanDerWaalsContact O-CB 3.24Å; D1658-T1661 WeakPolarHBondContact O-CB 3.36Å; D1658-T1661 PolarHBondContact O-N 3.01Å; D1658-T1661 PolarHBondContact O-OG1 3.06Å; R1659-T1661 VanDerWaalsContact C-N 3.29Å; R1659-T1661 PolarHBondContact O-N 3.35Å; T1661-H1663 VanDerWaalsContact C-N 3.26Å; T1661-H1663 PolarHBondContact O-N 3.35Å; T1661-G1664 WeakPolarHBondContact O-CA 3.41Å; T1661-G1664 PolarHBondContact O-N 2.74Å; T1661-G1664 VanDerWaalsContact O-N 3.09Å; T1661-E1665 PolarHBondContact O-N 2.87Å
1662V83.3Confident83.5Confident8 Ų839.4 Ų39.45%0.04823%0.23CC..Hα-helixtrans-55.8-41.3174.2-168.30000111.8I1560 L1564 L1651 L1654 R1659 P1660 L1666I1560-V1662 HydrophobicContact CD1-CG1 4.41Å; L1564-V1662 HydrophobicContact CD1-CG2 4.45Å; L1564-V1662 HydrophobicContact CD2-CB 4.4Å; L1564-V1662 HydrophobicContact CD2-CG1 4.23Å; L1564-V1662 HydrophobicContact CD2-CG2 3.89Å; L1651-V1662 HydrophobicContact CD1-CG1 3.93Å; L1651-V1662 HydrophobicContact CD2-CG1 4.1Å; L1651-V1662 HydrophobicContact CD2-CG2 3.94Å; L1654-V1662 HydrophobicContact CD1-CG2 3.58Å; R1659-V1662 WeakPolarHBondContact O-CB 3.23Å; R1659-V1662 PolarHBondContact O-N 3.04Å; P1660-V1662 VanDerWaalsContact C-N 3.31Å; P1660-V1662 PolarHBondContact O-N 2.88Å; V1662-L1666 PolarHBondContact O-N 3.46Å; V1662-L1666 VanDerWaalsContact O-N 3.12Å
1663H76.9Confident83.6Confident34 Ų3439.4 Ų39.416%0.15723%0.229CC..Hα-helixtrans-73-36.5178.5-63.674.6000111.4R1659 P1660 T1661 L1667R1659-H1663 PolarHBondContact O-ND1 3.32Å; P1660-H1663 PolarHBondContact O-N 2.8Å; T1661-H1663 VanDerWaalsContact C-N 3.26Å; T1661-H1663 PolarHBondContact O-N 3.35Å; H1663-L1667 VanDerWaalsContact O-CB 3.23Å; H1663-L1667 WeakPolarHBondContact O-CB 3.36Å; H1663-L1667 PolarHBondContact O-N 3.18Å
1664G81.7Confident83.5Confident40 Ų4042.6 Ų42.641%0.41225%0.245SC..Hα-helixtrans-60.8-47.8173.100000112.7P1660 T1661 L1667 A1668P1660-G1664 PolarHBondContact O-N 2.98Å; T1661-G1664 WeakPolarHBondContact O-CA 3.41Å; T1661-G1664 PolarHBondContact O-N 2.74Å; T1661-G1664 VanDerWaalsContact O-N 3.09Å; G1664-L1667 PolarHBondContact O-N 3.35Å; G1664-A1668 WeakPolarHBondContact O-CB 3.35Å; G1664-A1668 PolarHBondContact O-N 3.42Å
1665E86.9Confident83.3Confident35 Ų3547.7 Ų47.716%0.16427%0.273CS..Hα-helixtrans-66.6-41178.6-67.1-56.3154.900112.6T1563 L1564 T1567 T1661 L1667 A1668 M1669T1563-E1665 WeakPolarHBondContact CG2-OE2 3.44Å; L1564-E1665 HydrophobicContact CD1-CG 3.95Å; T1567-E1665 WeakPolarHBondContact CB-OE1 3.34Å; T1567-E1665 VanDerWaalsContact CG2-OE1 3.29Å; T1567-E1665 WeakPolarHBondContact CG2-OE1 3.17Å; T1567-E1665 VanDerWaalsContact OG1-CD 3.27Å; T1567-E1665 PolarHBondContact OG1-OE1 3.22Å; T1661-E1665 PolarHBondContact O-N 2.87Å; E1665-L1667 VanDerWaalsContact C-N 3.32Å; E1665-L1667 PolarHBondContact O-N 2.98Å; E1665-A1668 PolarHBondContact O-N 3.17Å; E1665-M1669 WeakPolarHBondContact O-CB 3.45Å; E1665-M1669 PolarHBondContact O-N 3.33Å
1666L84.1Confident83.2Confident5 Ų545 Ų453%0.02626%0.261CS..Hα-helixtrans-70-30.3177-154.277.7000112.3Y1435 K1555 C1559 V1662 N1670Y1435-L1666 HydrophobicContact CD2-CD2 3.87Å; Y1435-L1666 HydrophobicContact CE2-CD2 3.29Å; K1555-L1666 HydrophobicContact CD-CD1 4.28Å; K1555-L1666 HydrophobicContact CD-CG 4.47Å; K1555-L1666 HydrophobicContact CG-CD1 3.92Å; C1559-L1666 HydrophobicContact CB-CD1 3.85Å; V1662-L1666 PolarHBondContact O-N 3.46Å; V1662-L1666 VanDerWaalsContact O-N 3.12Å; L1666-N1670 VanDerWaalsContact O-CG 3.29Å; L1666-N1670 PolarHBondContact O-N 3.13Å; L1666-N1670 PolarHBondContact O-OD1 3.42Å
1667L81.4Confident83.6Confident99 Ų9942.1 Ų42.152%0.51824%0.242SC..Hα-helixtrans-70.8-43.1171.9-179.762.1000111.6H1663 G1664 E1665 M1669 N1670 L1671H1663-L1667 VanDerWaalsContact O-CB 3.23Å; H1663-L1667 WeakPolarHBondContact O-CB 3.36Å; H1663-L1667 PolarHBondContact O-N 3.18Å; G1664-L1667 PolarHBondContact O-N 3.35Å; E1665-L1667 VanDerWaalsContact C-N 3.32Å; E1665-L1667 PolarHBondContact O-N 2.98Å; L1667-M1669 VanDerWaalsContact C-N 3.28Å; L1667-M1669 PolarHBondContact O-N 3.34Å; L1667-N1670 WeakPolarHBondContact O-CB 3.39Å; L1667-N1670 PolarHBondContact O-N 3.02Å; L1667-N1670 VanDerWaalsContact O-N 3.15Å; L1667-L1671 WeakPolarHBondContact O-CG 3.11Å; L1667-L1671 PolarHBondContact O-N 3.42Å
1668A83.6Confident83.6Confident44 Ų4442.8 Ų42.836%0.36424%0.239SC..Hα-helixtrans-59.6-41.7173.100000111.1G1664 E1665 L1671 T1672G1664-A1668 WeakPolarHBondContact O-CB 3.35Å; G1664-A1668 PolarHBondContact O-N 3.42Å; E1665-A1668 PolarHBondContact O-N 3.17Å; A1668-L1671 PolarHBondContact O-N 2.65Å; A1668-T1672 PolarHBondContact O-N 3.25Å; A1668-T1672 PolarHBondContact O-OG1 2.85Å; A1668-T1672 VanDerWaalsContact O-OG1 3.05Å
1669M87.8Confident83.2Confident3 Ų344.3 Ų44.32%0.01525%0.249CC..Hα-helixtrans-61.7-41.2173.3-167.569.473.400112.2K1555 L1558 E1665 L1667 T1672 L1673K1555-M1669 HydrophobicContact CD-CG 4.29Å; K1555-M1669 HydrophobicContact CG-CB 4.42Å; K1555-M1669 HydrophobicContact CG-CG 3.66Å; L1558-M1669 HydrophobicContact CD2-CE 3.76Å; L1558-M1669 HydrophobicContact CD2-SD 3.97Å; L1558-M1669 HydrophobicContact CG-CE 3.99Å; E1665-M1669 WeakPolarHBondContact O-CB 3.45Å; E1665-M1669 PolarHBondContact O-N 3.33Å; L1667-M1669 VanDerWaalsContact C-N 3.28Å; L1667-M1669 PolarHBondContact O-N 3.34Å; M1669-T1672 PolarHBondContact O-N 3.02Å; M1669-L1673 VanDerWaalsContact O-CG 3.31Å; M1669-L1673 WeakPolarHBondContact O-CG 3.22Å; M1669-L1673 PolarHBondContact O-N 2.97Å; M1669-L1673 VanDerWaalsContact O-N 3.13Å
1670N85.1Confident82.8Confident49 Ų4942.3 Ų42.326%0.26224%0.242SC..Hα-helixtrans-58.8-50.8173.3-70.7-14.1000111.1K1555 L1666 L1667 T1672 L1673 D1674K1555-N1670 WeakPolarHBondContact CD-OD1 3.3Å; K1555-N1670 WeakPolarHBondContact CE-OD1 3.44Å; K1555-N1670 PolarHBondContact NZ-OD1 3.26Å; L1666-N1670 VanDerWaalsContact O-CG 3.29Å; L1666-N1670 PolarHBondContact O-N 3.13Å; L1666-N1670 PolarHBondContact O-OD1 3.42Å; L1667-N1670 WeakPolarHBondContact O-CB 3.39Å; L1667-N1670 PolarHBondContact O-N 3.02Å; L1667-N1670 VanDerWaalsContact O-N 3.15Å; N1670-T1672 VanDerWaalsContact C-N 3.31Å; N1670-T1672 PolarHBondContact O-N 3.44Å; N1670-L1673 CarbonylContact O-C 3.57Å; N1670-L1673 WeakPolarHBondContact O-CA 3.27Å; N1670-L1673 WeakPolarHBondContact O-CB 3.49Å; N1670-L1673 PolarHBondContact O-N 2.84Å; N1670-D1674 PolarHBondContact O-N 2.95Å
1671L85.8Confident82.1Confident98 Ų9844.1 Ų44.151%0.51325%0.25SS..Hα-helixtrans-58.8-41.3-179-66.1169.6000112L1667 A1668 L1673 D1674 D1675L1667-L1671 WeakPolarHBondContact O-CG 3.11Å; L1667-L1671 PolarHBondContact O-N 3.42Å; A1668-L1671 PolarHBondContact O-N 2.65Å; L1671-L1673 VanDerWaalsContact C-N 3.29Å; L1671-L1673 PolarHBondContact O-N 3.21Å; L1671-D1674 PolarHBondContact O-N 3.48Å; L1671-D1675 PolarHBondContact O-N 2.98Å
1672T84.5Confident80.9Confident29 Ų2943.6 Ų43.618%0.17825%0.245CC..Hα-helixtrans-61.4-36.4173.1-51.50000112.4A1668 M1669 N1670 I1676 Y1763A1668-T1672 PolarHBondContact O-N 3.25Å; A1668-T1672 PolarHBondContact O-OG1 2.85Å; A1668-T1672 VanDerWaalsContact O-OG1 3.05Å; M1669-T1672 PolarHBondContact O-N 3.02Å; N1670-T1672 VanDerWaalsContact C-N 3.31Å; N1670-T1672 PolarHBondContact O-N 3.44Å; T1672-I1676 HydrophobicContact CG2-CD1 4.06Å; T1672-I1676 WeakPolarHBondContact O-CD1 3.03Å; T1672-I1676 WeakPolarHBondContact O-CG1 3.46Å; T1672-I1676 PolarHBondContact O-N 2.98Å; T1672-Y1763 WeakPolarHBondContact CG2-OH 3.24Å
1673L88.5Confident79.4Confident7 Ų748.8 Ų48.84%0.03728%0.277CS..Hα-helixtrans-72.3-35.5176.8-66.7176.7000112.2K1555 M1669 N1670 L1671 I1676 V1677 I1760 Y1763 L1764K1555-L1673 HydrophobicContact CD-CD1 4.07Å; K1555-L1673 HydrophobicContact CG-CD1 4.43Å; M1669-L1673 VanDerWaalsContact O-CG 3.31Å; M1669-L1673 WeakPolarHBondContact O-CG 3.22Å; M1669-L1673 PolarHBondContact O-N 2.97Å; M1669-L1673 VanDerWaalsContact O-N 3.13Å; N1670-L1673 CarbonylContact O-C 3.57Å; N1670-L1673 WeakPolarHBondContact O-CA 3.27Å; N1670-L1673 WeakPolarHBondContact O-CB 3.49Å; N1670-L1673 PolarHBondContact O-N 2.84Å; L1671-L1673 VanDerWaalsContact C-N 3.29Å; L1671-L1673 PolarHBondContact O-N 3.21Å; L1673-I1676 PolarHBondContact O-N 3.22Å; L1673-V1677 WeakPolarHBondContact O-CG2 3.42Å; L1673-V1677 PolarHBondContact O-N 3.07Å; L1673-I1760 HydrophobicContact CB-CD1 4.5Å; L1673-I1760 HydrophobicContact CB-CG1 4.34Å; L1673-I1760 HydrophobicContact CD1-CG2 3.9Å; L1673-I1760 HydrophobicContact CD2-CG1 4.32Å; L1673-I1760 HydrophobicContact CD2-CG2 3.9Å; L1673-I1760 HydrophobicContact CG-CG2 4.4Å; L1673-Y1763 HydrophobicContact CD2-CD1 3.55Å; L1673-Y1763 HydrophobicContact CD2-CE1 3.84Å; L1673-L1764 HydrophobicContact CD1-CD1 4.39Å; L1673-L1764 HydrophobicContact CD1-CD2 4.42Å; L1673-L1764 HydrophobicContact CD2-CD2 4.14Å; L1673-L1764 HydrophobicContact CD2-CG 4.19Å
1674D85.8Confident78Confident70 Ų7050.2 Ų50.237%0.37428%0.284SS..Hα-helixtrans-63.8-46.5174.3-63.8-37.2000111N1670 L1671 I1676 V1677 E1678 I1749N1670-D1674 PolarHBondContact O-N 2.95Å; L1671-D1674 PolarHBondContact O-N 3.48Å; D1674-I1676 PolarHBondContact O-N 3.05Å; D1674-V1677 PolarHBondContact O-N 3.28Å; D1674-V1677 VanDerWaalsContact O-N 3.14Å; D1674-E1678 PolarHBondContact O-N 3.43Å; D1674-I1749 WeakPolarHBondContact OD1-CD1 3.42Å
1675D83.1Confident76.3Confident109 Ų10948.7 Ų48.758%0.58327%0.267SS*.Hα-helixtrans-55.2-38173.9-73.3-30000112.3L1671 T1679L1671-D1675 PolarHBondContact O-N 2.98Å; D1675-T1679 PolarHBondContact O-N 3.49Å; D1675-T1679 PolarHBondContact O-OG1 3.41Å
1676I84.5Confident74.4Confident7 Ų749 Ų494%0.03627%0.272CS..Hα-helixtrans-74.1-38.1179.7-69.6162.4000111.4T1672 L1673 D1674 T1679 G1680 L1759 Y1763T1672-I1676 HydrophobicContact CG2-CD1 4.06Å; T1672-I1676 WeakPolarHBondContact O-CD1 3.03Å; T1672-I1676 WeakPolarHBondContact O-CG1 3.46Å; T1672-I1676 PolarHBondContact O-N 2.98Å; L1673-I1676 PolarHBondContact O-N 3.22Å; D1674-I1676 PolarHBondContact O-N 3.05Å; I1676-T1679 WeakPolarHBondContact O-CB 3.3Å; I1676-T1679 PolarHBondContact O-N 3.46Å; I1676-G1680 PolarHBondContact O-N 3.26Å; I1676-L1759 HydrophobicContact CG2-CD2 4.28Å; I1676-L1759 HydrophobicContact CG2-CG 4.19Å; I1676-Y1763 HydrophobicContact CD1-CD1 3.62Å; I1676-Y1763 HydrophobicContact CD1-CD2 3.45Å; I1676-Y1763 VanDerWaalsContact CD1-CD2 3.45Å; I1676-Y1763 HydrophobicContact CD1-CE1 3.55Å; I1676-Y1763 HydrophobicContact CD1-CE2 3.34Å; I1676-Y1763 HydrophobicContact CD1-CG 3.57Å
1677V84.5Confident72.8Confident6 Ų649.3 Ų49.34%0.03628%0.276CS..Hα-helixtrans-66.6-41.2174.4169.80000111.2L1673 D1674 T1679 G1680 L1747 I1749 A1756 I1760L1673-V1677 WeakPolarHBondContact O-CG2 3.42Å; L1673-V1677 PolarHBondContact O-N 3.07Å; D1674-V1677 PolarHBondContact O-N 3.28Å; D1674-V1677 VanDerWaalsContact O-N 3.14Å; V1677-T1679 PolarHBondContact O-N 3.44Å; V1677-G1680 PolarHBondContact O-N 2.98Å; V1677-G1680 VanDerWaalsContact O-N 3.15Å; V1677-L1747 HydrophobicContact CG1-CB 3.91Å; V1677-L1747 WeakPolarHBondContact CG1-O 3.19Å; V1677-I1749 HydrophobicContact CG1-CG1 4.23Å; V1677-I1749 HydrophobicContact CG2-CD1 4.45Å; V1677-I1749 HydrophobicContact CG2-CG1 4.12Å; V1677-A1756 HydrophobicContact CG1-CB 3.98Å; V1677-A1756 HydrophobicContact CG2-CB 4.14Å; V1677-I1760 HydrophobicContact CG2-CD1 3.64Å; V1677-I1760 HydrophobicContact CG2-CG1 3.74Å
1678E80.4Confident71Confident118 Ų11845.1 Ų45.155%0.55126%0.257SS*.Hα-helixtrans-60.1-28.5172.6-83.5-131.7-159.600113.4D1674 K1746D1674-E1678 PolarHBondContact O-N 3.43Å; E1678-K1746 IonicContact OE2-NZ 3.88Å; E1678-K1746 PolarHBondContact OE2-NZ 3.02Å
1679T77.1Confident69.2Low48 Ų4847 Ų4729%0.29426%0.261SS..Hα-helixtrans-77.5-25.9178-56.80000112.9D1675 I1676 V1677 L1682 M1744 P1840D1675-T1679 PolarHBondContact O-N 3.49Å; D1675-T1679 PolarHBondContact O-OG1 3.41Å; I1676-T1679 WeakPolarHBondContact O-CB 3.3Å; I1676-T1679 PolarHBondContact O-N 3.46Å; V1677-T1679 PolarHBondContact O-N 3.44Å; T1679-L1682 HydrophobicContact CG2-CD1 4.33Å; T1679-M1744 VanDerWaalsContact O-CE 3.28Å; T1679-M1744 WeakPolarHBondContact O-CE 3.37Å; T1679-P1840 HydrophobicContact CG2-CB 3.87Å; T1679-P1840 HydrophobicContact CG2-CG 3.8Å
1680G70.9Confident66.9Low3 Ų355.1 Ų55.13%0.03129%0.291CS..  trans79.2167.9178.300000115.1I1676 V1677 L1682I1676-G1680 PolarHBondContact O-N 3.26Å; V1677-G1680 PolarHBondContact O-N 2.98Å; V1677-G1680 VanDerWaalsContact O-N 3.15Å; G1680-L1682 PolarHBondContact O-N 3.46Å
1681D64.8Low64.8Low70 Ų7054.8 Ų54.837%0.37429%0.289SS..  trans-79.4109.6-178.4-160.40.1000110.7L1747 L1759 K1762D1681-L1747 HydrophobicContact CB-CD1 4.24Å; D1681-L1759 HydrophobicContact CB-CD1 4.26Å; D1681-L1759 HydrophobicContact CB-CD2 4.35Å; D1681-K1762 IonicContact OD1-NZ 3.76Å; D1681-K1762 IonicContact OD2-NZ 2.64Å; D1681-K1762 PolarHBondContact OD2-NZ 3.17Å
1682L59.1Low62.4Low34 Ų3452.5 Ų52.518%0.17828%0.284CS..  trans-81.7135176.2-72.3146.4000109.1T1679 G1680 E1684 A1685 M1744 P1840 I1842 I1843T1679-L1682 HydrophobicContact CG2-CD1 4.33Å; G1680-L1682 PolarHBondContact O-N 3.46Å; L1682-E1684 PolarHBondContact O-N 3.15Å; L1682-A1685 WeakPolarHBondContact O-CB 3.16Å; L1682-A1685 PolarHBondContact O-N 3.25Å; L1682-M1744 HydrophobicContact CD2-CE 4Å; L1682-M1744 HydrophobicContact CG-CE 4.43Å; L1682-P1840 HydrophobicContact CD1-CB 4.12Å; L1682-P1840 HydrophobicContact CD1-CG 4.18Å; L1682-I1842 HydrophobicContact CD1-CG2 3.88Å; L1682-I1843 HydrophobicContact CD1-CD1 4Å; L1682-I1843 HydrophobicContact CD1-CG1 4.13Å
1683V51.6Low60.1Low116 Ų11657.2 Ų57.270%0.70331%0.307SS*.G310 helixtrans-54.7-20.2175.2-179.20000112.9
1684E46.2Very low57.6Low65 Ų6565.3 Ų65.330%0.30435%0.345SS..G310 helixtrans-74.3-22175.9-63.8176.2-175.500113.2L1682 C1686 Q1846L1682-E1684 PolarHBondContact O-N 3.15Å; E1684-C1686 PolarHBondContact O-N 3.09Å; E1684-C1686 VanDerWaalsContact O-N 3.13Å; E1684-Q1846 PolarHBondContact O-NE2 3.19Å; E1684-Q1846 PolarHBondContact O-OE1 2.96Å
1685A46.8Very low55.4Low7 Ų767.3 Ų67.36%0.05835%0.352CS..G310 helixtrans-69.6-7.4-173.600000115.3L1682 A1687 G1688 I1842L1682-A1685 WeakPolarHBondContact O-CB 3.16Å; L1682-A1685 PolarHBondContact O-N 3.25Å; A1685-A1687 PolarHBondContact O-N 3.19Å; A1685-G1688 PolarHBondContact O-N 3.04Å; A1685-I1842 HydrophobicContact CB-CD1 3.9Å
1686C47.4Very low53.3Low42 Ų4262.3 Ų62.328%0.28433%0.326SS..THydrogen-bonded Turntrans-69.628.6177.9-52.20000114.3E1684 D1689 R1706E1684-C1686 PolarHBondContact O-N 3.09Å; E1684-C1686 VanDerWaalsContact O-N 3.13Å; C1686-D1689 WeakPolarHBondContact CA-OD2 3.46Å; C1686-D1689 WeakPolarHBondContact CB-OD2 3.48Å; C1686-R1706 PolarHBondContact O-NH1 2.98Å
1687A49.4Very low51.1Low12 Ų1266.6 Ų66.610%0.09935%0.349CS..THydrogen-bonded Turntrans-89.2-6.1162.500000112.4A1685 L1703 R1769 Q1846A1685-A1687 PolarHBondContact O-N 3.19Å; A1687-L1703 HydrophobicContact CB-CD2 3.55Å; A1687-R1769 PolarHBondContact O-NH1 3.46Å; A1687-Q1846 HydrophobicContact CB-CG 3.96Å
1688G43.5Very low49.2Very low11 Ų1170.2 Ų70.211%0.11337%0.368CS..SBendtrans-68.7-33.8173.500000113.4A1685 R1769A1685-G1688 PolarHBondContact O-N 3.04Å; G1688-R1769 PolarHBondContact O-NH1 2.93Å; G1688-R1769 PolarHBondContact O-NH2 3.29Å
1689D46.3Very low47.4Very low84 Ų8465.8 Ų65.845%0.44935%0.347SS..SBendtrans-71.4164.5-161-51.9-52.1000114.9C1686 L1691C1686-D1689 WeakPolarHBondContact CA-OD2 3.46Å; C1686-D1689 WeakPolarHBondContact CB-OD2 3.48Å; D1689-L1691 PolarHBondContact O-N 2.86Å
1690R39.1Very low45.8Very low173 Ų17366 Ų6665%0.65335%0.345SS*.  trans-76.297.7171.1-81.3-177.3166.8-165.4-3.5109.3A1692R1690-A1692 PolarHBondContact O-N 3.35Å
1691L41.9Very low44.4Very low42 Ų4268.7 Ų68.722%0.2236%0.358CS..  trans-62.9130162.4-68.5173000109.4H59 D1689 E1695 M1699H59-L1691 PolarHBondContact NE2-O 2.96Å; D1689-L1691 PolarHBondContact O-N 2.86Å; L1691-E1695 HydrophobicContact CD2-CB 4.48Å; L1691-M1699 HydrophobicContact CD1-CG 4.02Å
1692A35.4Very low43.3Very low50 Ų5067.4 Ų67.441%0.41335%0.353SS..  trans-66.4153171.700000110.2R1690 Q1694 E1695 A1696R1690-A1692 PolarHBondContact O-N 3.35Å; A1692-Q1694 PolarHBondContact O-N 3.36Å; A1692-Q1694 VanDerWaalsContact O-N 3.13Å; A1692-E1695 HydrophobicContact CB-CG 4.21Å; A1692-E1695 PolarHBondContact N-OE2 3.49Å; A1692-E1695 PolarHBondContact O-N 2.98Å; A1692-A1696 PolarHBondContact O-N 3Å
1693I37Very low42.5Very low128 Ų12866.5 Ų66.566%0.65635%0.348SS*.THydrogen-bonded Turntrans-58.7-31.3-178.5-63.1172.8000111.4
1694Q36Very low42.1Very low177 Ų17761.6 Ų61.683%0.82732%0.321SS*.THydrogen-bonded Turntrans-74.3-24.6175-69170.9-26.700113.7A1692A1692-Q1694 PolarHBondContact O-N 3.36Å; A1692-Q1694 VanDerWaalsContact O-N 3.13Å
1695E38.5Very low42Very low111 Ų11163.5 Ų63.552%0.51933%0.329SS..THydrogen-bonded Turntrans-88.2-19.9174.1-62.4-179.413800112.4L1691 A1692 D1697L1691-E1695 HydrophobicContact CD2-CB 4.48Å; A1692-E1695 HydrophobicContact CB-CG 4.21Å; A1692-E1695 PolarHBondContact N-OE2 3.49Å; A1692-E1695 PolarHBondContact O-N 2.98Å; E1695-D1697 PolarHBondContact O-N 3.02Å; E1695-D1697 VanDerWaalsContact O-N 3.14Å
1696A38.9Very low41.6Very low5 Ų569.2 Ų69.24%0.04135%0.349CS..G310 helixtrans-66.3-9.3177.100000113.3A1692 N1698 M1699A1692-A1696 PolarHBondContact O-N 3Å; A1696-N1698 PolarHBondContact O-N 3.03Å; A1696-M1699 HydrophobicContact CB-CE 4.31Å; A1696-M1699 PolarHBondContact O-N 3.07Å
1697D39.5Very low41.3Very low97 Ų9769.2 Ų69.252%0.51935%0.348SS..G310 helixtrans-54.3-24.9-178.4-138.71.2000113.7K55 E1695K55-D1697 PolarHBondContact NZ-O 3.43Å; K55-D1697 IonicContact NZ-OD1 3.64Å; K55-D1697 PolarHBondContact NZ-OD1 2.89Å; E1695-D1697 PolarHBondContact O-N 3.02Å; E1695-D1697 VanDerWaalsContact O-N 3.14Å
1698N43.7Very low41Very low81 Ų8173.3 Ų73.343%0.43336%0.363SS..G310 helixtrans-13338.6-174.7-88.1-61.7000111.6A1696 H1700 L1701 T1702A1696-N1698 PolarHBondContact O-N 3.03Å; N1698-H1700 PolarHBondContact O-N 3.09Å; N1698-L1701 HydrophobicContact CB-CB 4.02Å; N1698-L1701 CarbonylContact O-C 3.59Å; N1698-L1701 WeakPolarHBondContact O-CA 3.12Å; N1698-L1701 WeakPolarHBondContact O-CB 3.4Å; N1698-L1701 PolarHBondContact O-N 3.14Å; N1698-L1701 WeakPolarHBondContact OD1-CD1 3.13Å; N1698-T1702 HydrophobicContact CB-CG2 4.39Å; N1698-T1702 PolarHBondContact O-N 3.05Å; N1698-T1702 PolarHBondContact O-OG1 3.19Å
1699M42.2Very low40.8Very low25 Ų2577.8 Ų77.812%0.12338%0.384CS..Hα-helixtrans-51.7-43.4-168.8-153.3-172.7-53.800115L58 L1691 A1696 L1701 T1702 L1703L58-M1699 HydrophobicContact CB-CE 4.4Å; L1691-M1699 HydrophobicContact CD1-CG 4.02Å; A1696-M1699 HydrophobicContact CB-CE 4.31Å; A1696-M1699 PolarHBondContact O-N 3.07Å; M1699-L1701 VanDerWaalsContact C-N 3.35Å; M1699-T1702 PolarHBondContact O-OG1 3.31Å; M1699-L1703 HydrophobicContact CG-CD1 4.36Å; M1699-L1703 WeakPolarHBondContact O-CB 3.22Å; M1699-L1703 WeakPolarHBondContact O-CG 3.1Å; M1699-L1703 PolarHBondContact O-N 2.86Å
1700H44.7Very low40.4Very low52 Ų5281 Ų8124%0.24139%0.394CS..Hα-helixtrans-67.3-33.7173-71.1-64.2000113.3N1698 G1704 E1857N1698-H1700 PolarHBondContact O-N 3.09Å; H1700-G1704 VanDerWaalsContact O-CA 3.25Å; H1700-G1704 WeakPolarHBondContact O-CA 3.33Å; H1700-G1704 PolarHBondContact O-N 3.22Å; H1700-E1857 IonicContact CD2-OE2 3.92Å; H1700-E1857 PolarHBondContact CD2-OE2 3.18Å; H1700-E1857 IonicContact CE1-OE2 3.89Å; H1700-E1857 IonicContact NE2-OE2 3.95Å; H1700-E1857 PolarHBondContact NE2-OE2 3.26Å
1701L40.7Very low40.6Very low60 Ų6081.5 Ų81.531%0.31440%0.401SS..Hα-helixtrans-81.3-29.1-178.2-75.8151.6000112.2N1698 M1699 K1705N1698-L1701 HydrophobicContact CB-CB 4.02Å; N1698-L1701 CarbonylContact O-C 3.59Å; N1698-L1701 WeakPolarHBondContact O-CA 3.12Å; N1698-L1701 WeakPolarHBondContact O-CB 3.4Å; N1698-L1701 PolarHBondContact O-N 3.14Å; N1698-L1701 WeakPolarHBondContact OD1-CD1 3.13Å; M1699-L1701 VanDerWaalsContact C-N 3.35Å; L1701-K1705 HydrophobicContact CB-CD 4.5Å; L1701-K1705 HydrophobicContact CD2-CD 4.46Å; L1701-K1705 HydrophobicContact CD2-CG 4.41Å; L1701-K1705 WeakPolarHBondContact O-CB 3.38Å; L1701-K1705 WeakPolarHBondContact O-CG 3.39Å; L1701-K1705 PolarHBondContact O-N 2.8Å
1702T42.5Very low40.5Very low43 Ų4390.2 Ų90.226%0.26443%0.431SS..Hα-helixtrans-75.7-40.6173.150.50000111.5N1698 M1699 R1706N1698-T1702 HydrophobicContact CB-CG2 4.39Å; N1698-T1702 PolarHBondContact O-N 3.05Å; N1698-T1702 PolarHBondContact O-OG1 3.19Å; M1699-T1702 PolarHBondContact O-OG1 3.31Å; T1702-R1706 WeakPolarHBondContact O-CD 3.39Å; T1702-R1706 WeakPolarHBondContact O-CG 3.44Å
1703L42.4Very low40.3Very low16 Ų1696.5 Ų96.58%0.08445%0.452CS..Hα-helixtrans-73.4-30.1172.3-63.7171.5000112.3A1687 M1699 L1850A1687-L1703 HydrophobicContact CB-CD2 3.55Å; M1699-L1703 HydrophobicContact CG-CD1 4.36Å; M1699-L1703 WeakPolarHBondContact O-CB 3.22Å; M1699-L1703 WeakPolarHBondContact O-CG 3.1Å; M1699-L1703 PolarHBondContact O-N 2.86Å; L1703-L1850 HydrophobicContact CB-CD2 3.84Å; L1703-L1850 HydrophobicContact CD1-CD2 3.64Å; L1703-L1850 HydrophobicContact CG-CD2 4.38Å
1704G42.1Very low40Very low13 Ų1393.5 Ų93.513%0.13445%0.452CS..Hα-helixtrans-83.2-51.8-179.100000114.9H1700 R1706 T1707H1700-G1704 VanDerWaalsContact O-CA 3.25Å; H1700-G1704 WeakPolarHBondContact O-CA 3.33Å; H1700-G1704 PolarHBondContact O-N 3.22Å; G1704-R1706 VanDerWaalsContact C-N 3.3Å; G1704-R1706 PolarHBondContact O-N 2.66Å; G1704-T1707 PolarHBondContact O-N 3.38Å; G1704-T1707 PolarHBondContact O-OG1 3.23Å
1705K43.6Very low39.7Very low105 Ų10591.3 Ų91.346%0.45745%0.451SS..Hα-helixtrans-61.5-34.8-175.1-74.6173.8171.9171.50113L1701 T1707 K1708 D1709L1701-K1705 HydrophobicContact CB-CD 4.5Å; L1701-K1705 HydrophobicContact CD2-CD 4.46Å; L1701-K1705 HydrophobicContact CD2-CG 4.41Å; L1701-K1705 WeakPolarHBondContact O-CB 3.38Å; L1701-K1705 WeakPolarHBondContact O-CG 3.39Å; L1701-K1705 PolarHBondContact O-N 2.8Å; K1705-T1707 PolarHBondContact O-N 3.41Å; K1705-K1708 PolarHBondContact O-N 3.38Å; K1705-D1709 PolarHBondContact O-N 3.05Å; K1705-D1709 VanDerWaalsContact O-N 3.16Å
1706R39Very low39.6Very low126 Ų12692.2 Ų92.248%0.47547%0.467SS..THydrogen-bonded Turntrans-51.4-22.7171.6-74.8177.9177174.5-0.9113.5C1686 T1702 G1704C1686-R1706 PolarHBondContact O-NH1 2.98Å; T1702-R1706 WeakPolarHBondContact O-CD 3.39Å; T1702-R1706 WeakPolarHBondContact O-CG 3.44Å; G1704-R1706 VanDerWaalsContact C-N 3.3Å; G1704-R1706 PolarHBondContact O-N 2.66Å
1707T40.9Very low39.3Very low43 Ų43101.9 Ų101.926%0.26451%0.508SS..THydrogen-bonded Turntrans-99.5-8.4174.970.80000115G1704 K1705G1704-T1707 PolarHBondContact O-N 3.38Å; G1704-T1707 PolarHBondContact O-OG1 3.23Å; K1705-T1707 PolarHBondContact O-N 3.41Å
1708K43.7Very low38.8Very low97 Ų97101.7 Ų101.742%0.42252%0.52SS..THydrogen-bonded Turntrans-93.2-36.2176.9-74.3176.4175.1171.30112.8E3 K1705 K1710 K1711E3-K1708 IonicContact OE1-NZ 3.72Å; E3-K1708 PolarHBondContact OE1-NZ 3.02Å; E3-K1708 IonicContact OE2-NZ 2.73Å; E3-K1708 PolarHBondContact OE2-NZ 2.96Å; K1705-K1708 PolarHBondContact O-N 3.38Å; K1708-K1710 PolarHBondContact O-N 3.09Å; K1708-K1711 WeakPolarHBondContact O-CB 3.39Å; K1708-K1711 PolarHBondContact O-N 3.23Å
1709D38.5Very low38.2Very low105 Ų105107.3 Ų107.356%0.56154%0.544SS*.G310 helixtrans-67.5-36.8-168.1-62.6-38.6000113.2K1705 K1711 R1712K1705-D1709 PolarHBondContact O-N 3.05Å; K1705-D1709 VanDerWaalsContact O-N 3.16Å; D1709-K1711 PolarHBondContact O-N 2.98Å; D1709-R1712 PolarHBondContact O-N 3.42Å; D1709-R1712 VanDerWaalsContact O-N 3.16Å
1710K39.2Very low37.4Very low152 Ų152114.4 Ų114.466%0.66158%0.577SS**G310 helixtrans-61-14.1171.5-84.3-171.7174.1-178.60114.9K1708 R1712K1708-K1710 PolarHBondContact O-N 3.09Å; K1710-R1712 VanDerWaalsContact C-N 3.31Å
1711K42.1Very low36.7Very low184 Ų184119 Ų11980%0.861%0.609SS**G310 helixtrans-84.94.8176.3-94.3-174.9175-178.80114.3K1708 D1709K1708-K1711 WeakPolarHBondContact O-CB 3.39Å; K1708-K1711 PolarHBondContact O-N 3.23Å; D1709-K1711 PolarHBondContact O-N 2.98Å
1712R40.6Very low36Very low224 Ų224123 Ų12385%0.84563%0.629SS**SBendtrans-112.8-15.2177.8-74.6-174.3168.1-174.9-4115.7D1709 K1710 G1714D1709-R1712 PolarHBondContact O-N 3.42Å; D1709-R1712 VanDerWaalsContact O-N 3.16Å; K1710-R1712 VanDerWaalsContact C-N 3.31Å; R1712-G1714 PolarHBondContact O-N 2.84Å
1713E31.5Very low35.2Very low183 Ų183126 Ų12686%0.85565%0.647SS**SBendtrans-78.967.5169.4-64.5-170.2131.100110.3
1714G29.5Very low34.5Very low64 Ų64134.9 Ų134.966%0.6668%0.679SS**  trans-146.63.9-163.500000117.8R1712R1712-G1714 PolarHBondContact O-N 2.84Å
1715T30.2Very low33.7Very low131 Ų131141.9 Ų141.980%0.80471%0.709SS**  trans-158.5121.4166.422.70000110.8
1716P36.4Very low32.8Very low131 Ų131142.9 Ų142.985%0.85172%0.723SS**  trans-79.4126.3173.931.4-32.3000111
1717K32.2Very low32.2Very low207 Ų207142.1 Ų142.190%0.973%0.733SS**  trans-131.9123.2155-78.3-167.7172-172.10108
1718A29.9Very low31.4Very low94 Ų94146.5 Ų146.578%0.77776%0.755SS**  trans-79.9144.317100000109.6
1719E29.8Very low30.8Very low199 Ų199149.1 Ų149.193%0.9378%0.779SS**  trans-163.8158.6131.8-107.7160.4-150.900108.9
1720E26.1Very low30.1Very low174 Ų174152.4 Ų152.481%0.81379%0.791SS**  trans-99.1145.7-160.3-54.9173.4125.300112.9
1721T29.8Very low29.7Very low149 Ų149152 Ų15291%0.91480%0.802SS**  trans-159.9160.3136.30.50000111.5
1722I26.7Very low29Very low143 Ų143151.8 Ų151.873%0.73380%0.803SS**  trans-127178.8-158.4-52.9161.5000109.4
1723V25.5Very low28.3Very low106 Ų106148.4 Ų148.464%0.64280%0.802SS**  trans87.8127.5162.2-173.80000114
1724R27.9Very low28.2Very low202 Ų202148 Ų14876%0.76281%0.805SS**  cis-151.2139.74.5-122.6156.7-155.9141.55.5111.9
1725Q24.2Very low28.3Very low161 Ų161152.1 Ų152.175%0.75281%0.812SS**  23.5137.8121.8-51.2171-40.800117.8
1726T25.9Very low28.1Very low125 Ų125157.4 Ų157.477%0.76782%0.817SS**  -162.8171.952.848.50000111.5
1727T26.3Very low27.8Very low110 Ų110157.8 Ų157.868%0.67581%0.812SS**  cis-161.7133.6-28.630.10000111
1728N23.8Very low27.8Very low135 Ų135153.7 Ų153.772%0.72280%0.804SS**  trans43.3123.5138.8-53.31000123.2
1729T30.3Very low27.9Very low153 Ų153155.7 Ų155.794%0.93981%0.807SS**  -144156.5122.1-22.80000108.6
1730Q24.9Very low28Very low173 Ų173154.6 Ų154.681%0.80880%0.799SS**  trans-115.4139.9-157.2-63.3168-50.900114.4
1731T29.4Very low28.3Very low145 Ų145153 Ų15389%0.8980%0.796SS**  trans-152.895.4156.48.10000111.5
1732Q27.9Very low28.6Very low178 Ų178151.4 Ų151.483%0.83279%0.791SS**  trans7.6108.6161.5-69.3164.5-27.600120.6
1733D25.5Very low29.2Very low154 Ų154153 Ų15382%0.82480%0.795SS**  31.7110.2121.9-49.7-41.7000120.4
1734L31Very low30.2Very low175 Ų175154 Ų15492%0.91679%0.794SS**  trans-134.7149.7145.9-81.3175.6000109.4
1735D29.9Very low31.6Very low149 Ų149150.9 Ų150.980%0.79779%0.792SS**  trans-65.6134.7-155.6-84.2-58.7000117.3N1737D1735-N1737 PolarHBondContact O-N 3.35Å
1736R26.6Very low33.6Very low243 Ų243149.8 Ų149.892%0.91778%0.784SS**  trans-94.260.2-175.8-163.5-175.2-175.2-171.42.4112.8T1738R1736-T1738 PolarHBondContact O-N 2.91Å
1737N30.3Very low36.2Very low139 Ų139145 Ų14574%0.74375%0.754SS**  trans-79.6100-177.8-83.5-42.2000113.7D1735D1735-N1737 PolarHBondContact O-N 3.35Å
1738T31.7Very low38.9Very low120 Ų120141.4 Ų141.474%0.73673%0.733SS**  trans31.8105.7151.957.30000118.9R1736 K1740R1736-T1738 PolarHBondContact O-N 2.91Å; T1738-K1740 PolarHBondContact O-N 3.41Å
1739V32.6Very low41.7Very low136 Ų136136.2 Ų136.282%0.82471%0.705SS**  trans-61.2126.6163.2177.60000110.7
1740K31.2Very low44.1Very low176 Ų176132.2 Ų132.277%0.76568%0.677SS**  trans-138.3142.2155-76.6-168.2174.4-175.10109T1738T1738-K1740 PolarHBondContact O-N 3.41Å
1741D33.6Very low46.8Very low141 Ų141128.5 Ų128.575%0.75466%0.663SS**  trans46.377.5160.4-49-32.7000115.6E1743D1741-E1743 VanDerWaalsContact C-N 3.26Å; D1741-E1743 PolarHBondContact O-N 3.22Å
1742S35.7Very low49.4Very low116 Ų116123.8 Ų123.881%0.81163%0.634SS**  trans-65.882165.9-62.50000111.2M1744S1742-M1744 PolarHBondContact O-N 3.38Å
1743E39.4Very low52.3Low176 Ų176115.5 Ų115.582%0.82260%0.596SS**  trans-55135.4164.5-64.4-168.5139.900109.6D1741 I1745D1741-E1743 VanDerWaalsContact C-N 3.26Å; D1741-E1743 PolarHBondContact O-N 3.22Å; E1743-I1745 PolarHBondContact O-N 2.68Å; E1743-I1745 VanDerWaalsContact O-N 3.11Å
1744M46.3Very low55.2Low127 Ų127109.3 Ų109.363%0.62656%0.562SS**  trans-65.6115.3178.5-72178.765.900109.3T1679 L1682 S1742 K1746T1679-M1744 VanDerWaalsContact O-CE 3.28Å; T1679-M1744 WeakPolarHBondContact O-CE 3.37Å; L1682-M1744 HydrophobicContact CD2-CE 4Å; L1682-M1744 HydrophobicContact CG-CE 4.43Å; S1742-M1744 PolarHBondContact O-N 3.38Å; M1744-K1746 PolarHBondContact O-N 3.34Å
1745I57.6Low57.8Low137 Ų137103 Ų10370%0.70354%0.535SS*.  trans-64.6100.9177.3-57.6174.2000108E1743 L1747E1743-I1745 PolarHBondContact O-N 2.68Å; E1743-I1745 VanDerWaalsContact O-N 3.11Å; I1745-L1747 PolarHBondContact O-N 3.05Å; I1745-L1747 VanDerWaalsContact O-N 3.12Å
1746K66.3Low60.5Low138 Ų13895.9 Ų95.960%0.650%0.497SS*.  trans-58.7115.6170-78.7-159.2163.4-156.10108.7E1678 M1744E1678-K1746 IonicContact OE2-NZ 3.88Å; E1678-K1746 PolarHBondContact OE2-NZ 3.02Å; M1744-K1746 PolarHBondContact O-N 3.34Å
1747L79.9Confident63.6Low24 Ų2484.9 Ų84.913%0.12646%0.456CS..  trans-74.3158.8174-64.3176.3000109.5V1677 D1681 I1745 A1755 A1756 L1759V1677-L1747 HydrophobicContact CG1-CB 3.91Å; V1677-L1747 WeakPolarHBondContact CG1-O 3.19Å; D1681-L1747 HydrophobicContact CB-CD1 4.24Å; I1745-L1747 PolarHBondContact O-N 3.05Å; I1745-L1747 VanDerWaalsContact O-N 3.12Å; L1747-A1755 HydrophobicContact CD2-CB 3.92Å; L1747-A1756 HydrophobicContact CB-CB 4.39Å; L1747-L1759 HydrophobicContact CD1-CB 4.37Å; L1747-L1759 HydrophobicContact CD1-CD2 3.85Å
1748S81.8Confident66.3Low34 Ų3481.8 Ų81.824%0.23844%0.437CS..  trans-144.6134.6173.9176.10000109.7L1750 N1751 T1752S1748-L1750 PolarHBondContact O-N 2.89Å; S1748-L1750 PolarHBondContact OG-N 2.72Å; S1748-N1751 PolarHBondContact O-N 2.95Å; S1748-N1751 PolarHBondContact OG-N 3.45Å; S1748-T1752 PolarHBondContact N-OG1 3.4Å; S1748-T1752 CarbonylContact O-C 3.58Å; S1748-T1752 VanDerWaalsContact O-C 3.29Å; S1748-T1752 WeakPolarHBondContact O-CA 3.21Å; S1748-T1752 PolarHBondContact O-N 3.27Å; S1748-T1752 PolarHBondContact O-OG1 3.25Å; S1748-T1752 VanDerWaalsContact O-OG1 3.06Å
1749I83.2Confident68.9Low27 Ų2776.1 Ų76.114%0.13840%0.402CS..THydrogen-bonded Turntrans-58.6-26.9173.3-61.3177.6000111.1E1524 Q1528 D1674 V1677 P1753 A1756 Y1757 I1760E1524-I1749 WeakPolarHBondContact OE1-CG2 3.43Å; Q1528-I1749 VanDerWaalsContact NE2-CG2 3.32Å; Q1528-I1749 PolarHBondContact NE2-O 2.79Å; D1674-I1749 WeakPolarHBondContact OD1-CD1 3.42Å; V1677-I1749 HydrophobicContact CG1-CG1 4.23Å; V1677-I1749 HydrophobicContact CG2-CD1 4.45Å; V1677-I1749 HydrophobicContact CG2-CG1 4.12Å; I1749-P1753 WeakPolarHBondContact O-CB 3.4Å; I1749-A1756 HydrophobicContact CG1-CB 4.27Å; I1749-Y1757 HydrophobicContact CG2-CE1 4.12Å; I1749-I1760 HydrophobicContact CD1-CD1 3.98Å; I1749-I1760 HydrophobicContact CG1-CD1 4.22Å
1750L81.7Confident71.7Confident68 Ų6869.8 Ų69.836%0.35636%0.364SS..THydrogen-bonded Turntrans-90-40.8-179.2-65.4177.5000113.5E1524 Y1527 S1748E1524-L1750 HydrophobicContact CG-CD2 3.78Å; Y1527-L1750 HydrophobicContact CD1-CB 4.11Å; Y1527-L1750 HydrophobicContact CD1-CD2 3.89Å; Y1527-L1750 HydrophobicContact CE1-CB 3.75Å; Y1527-L1750 HydrophobicContact CE1-CD2 4.3Å; Y1527-L1750 HydrophobicContact CE1-CG 4.47Å; Y1527-L1750 HydrophobicContact CG-CD2 4.48Å; S1748-L1750 PolarHBondContact O-N 2.89Å; S1748-L1750 PolarHBondContact OG-N 2.72Å
1751N81.7Confident74.5Confident95 Ų9563.7 Ų63.751%0.50834%0.337SS..THydrogen-bonded Turntrans-99.3-23.1-172.3-56.3-20.4000114S1748S1748-N1751 PolarHBondContact O-N 2.95Å; S1748-N1751 PolarHBondContact OG-N 3.45Å
1752T83.9Confident77Confident47 Ų4759 Ų5929%0.28831%0.31SS..SBendtrans-136.455.6-17962.80000110.2S1748 I1754 A1755 A1756S1748-T1752 PolarHBondContact N-OG1 3.4Å; S1748-T1752 CarbonylContact O-C 3.58Å; S1748-T1752 VanDerWaalsContact O-C 3.29Å; S1748-T1752 WeakPolarHBondContact O-CA 3.21Å; S1748-T1752 PolarHBondContact O-N 3.27Å; S1748-T1752 PolarHBondContact O-OG1 3.25Å; S1748-T1752 VanDerWaalsContact O-OG1 3.06Å; T1752-I1754 PolarHBondContact O-N 3.16Å; T1752-A1755 PolarHBondContact O-N 3.5Å; T1752-A1756 WeakPolarHBondContact O-CB 3.35Å; T1752-A1756 PolarHBondContact O-N 3.23Å
1753P87.5Confident79.5Confident3 Ų353.5 Ų53.52%0.01927%0.272CS..Hα-helixtrans-62.7-41.2-159.824-35.6000113.7Q1528 L1532 L1544 I1749 Y1757Q1528-P1753 HydrophobicContact CB-CB 4.09Å; Q1528-P1753 HydrophobicContact CB-CG 4.22Å; Q1528-P1753 HydrophobicContact CG-CB 4.08Å; L1532-P1753 HydrophobicContact CD2-CG 4.12Å; L1544-P1753 HydrophobicContact CD1-CB 3.72Å; L1544-P1753 HydrophobicContact CD1-CG 4.2Å; I1749-P1753 WeakPolarHBondContact O-CB 3.4Å; P1753-Y1757 VanDerWaalsContact O-CB 3.29Å; P1753-Y1757 WeakPolarHBondContact O-CB 3.43Å; P1753-Y1757 VanDerWaalsContact O-CD2 3.25Å; P1753-Y1757 WeakPolarHBondContact O-CD2 3.44Å; P1753-Y1757 PolarHBondContact O-N 2.92Å
1754I87.3Confident81.9Confident24 Ų2445.2 Ų45.212%0.12323%0.233CC..Hα-helixtrans-61.7-53.5180-65.5178.3000110.9L1532 Q1543 L1544 L1547 T1752 A1756 Y1757 E1758L1532-I1754 HydrophobicContact CD2-CD1 3.6Å; L1532-I1754 HydrophobicContact CD2-CG1 3.87Å; Q1543-I1754 HydrophobicContact CG-CD1 4.42Å; Q1543-I1754 HydrophobicContact CG-CG2 4.23Å; L1544-I1754 HydrophobicContact CB-CG1 4.31Å; L1547-I1754 HydrophobicContact CD1-CG2 3.98Å; T1752-I1754 PolarHBondContact O-N 3.16Å; I1754-A1756 PolarHBondContact O-N 3.42Å; I1754-Y1757 PolarHBondContact O-N 2.73Å; I1754-E1758 WeakPolarHBondContact O-CG 3.29Å; I1754-E1758 PolarHBondContact O-N 3.06Å
1755A85.3Confident83.9Confident42 Ų4239.8 Ų39.835%0.34721%0.207SC..Hα-helixtrans-64.2-38.9-179.200000112.7L1747 T1752 E1758 L1759L1747-A1755 HydrophobicContact CD2-CB 3.92Å; T1752-A1755 PolarHBondContact O-N 3.5Å; A1755-E1758 PolarHBondContact O-N 2.94Å; A1755-L1759 PolarHBondContact O-N 2.94Å
1756A87.4Confident85.3Confident0 Ų033.7 Ų33.70%018%0.175CC..Hα-helixtrans-62.5-44.1174.200000111.5V1677 L1747 I1749 T1752 I1754 L1759 I1760V1677-A1756 HydrophobicContact CG1-CB 3.98Å; V1677-A1756 HydrophobicContact CG2-CB 4.14Å; L1747-A1756 HydrophobicContact CB-CB 4.39Å; I1749-A1756 HydrophobicContact CG1-CB 4.27Å; T1752-A1756 WeakPolarHBondContact O-CB 3.35Å; T1752-A1756 PolarHBondContact O-N 3.23Å; I1754-A1756 PolarHBondContact O-N 3.42Å; A1756-L1759 PolarHBondContact O-N 3.47Å; A1756-I1760 VanDerWaalsContact O-CG1 3.31Å; A1756-I1760 WeakPolarHBondContact O-CG1 3.21Å; A1756-I1760 PolarHBondContact O-N 3.44Å
1757Y90.4Very high86.4Confident13 Ų1328.1 Ų28.15%0.05115%0.15CC..Hα-helixtrans-68.7-36.6176.8-77.5-36.9000113.2Q1528 L1544 R1548 I1551 I1749 P1753 I1754 I1760 K1761Q1528-Y1757 PolarHBondContact NE2-OH 2.9Å; Q1528-Y1757 PolarHBondContact OE1-OH 3.13Å; L1544-Y1757 HydrophobicContact CD1-CD2 3.88Å; L1544-Y1757 HydrophobicContact CD1-CE2 3.83Å; R1548-Y1757 HydrophobicContact CB-CD2 4.42Å; R1548-Y1757 HydrophobicContact CB-CE2 3.85Å; R1548-Y1757 WeakPolarHBondContact CD-OH 3.35Å; R1548-Y1757 HydrophobicContact CG-CE2 4.15Å; R1548-Y1757 PolarHBondContact NH1-OH 3.04Å; I1551-Y1757 VanDerWaalsContact CD1-CB 3.41Å; I1551-Y1757 HydrophobicContact CD1-CD1 3.43Å; I1551-Y1757 VanDerWaalsContact CD1-CD1 3.43Å; I1551-Y1757 HydrophobicContact CD1-CE1 4.4Å; I1551-Y1757 HydrophobicContact CD1-CG 3.67Å; I1551-Y1757 WeakPolarHBondContact CD1-O 3.12Å; I1749-Y1757 HydrophobicContact CG2-CE1 4.12Å; P1753-Y1757 VanDerWaalsContact O-CB 3.29Å; P1753-Y1757 WeakPolarHBondContact O-CB 3.43Å; P1753-Y1757 VanDerWaalsContact O-CD2 3.25Å; P1753-Y1757 WeakPolarHBondContact O-CD2 3.44Å; P1753-Y1757 PolarHBondContact O-N 2.92Å; I1754-Y1757 PolarHBondContact O-N 2.73Å; Y1757-I1760 HydrophobicContact CD1-CD1 3.99Å; Y1757-I1760 HydrophobicContact CE1-CD1 4.46Å; Y1757-I1760 PolarHBondContact O-N 3.38Å; Y1757-K1761 WeakPolarHBondContact O-CB 3.26Å; Y1757-K1761 PolarHBondContact O-N 3.49Å
1758E87.8Confident86.8Confident74 Ų7427.1 Ų27.135%0.34615%0.145SC..Hα-helixtrans-63.4-41.3173.6-73.4178.6-177.300111.9Q1543 L1547 I1754 A1755 K1761 K1762Q1543-E1758 PolarHBondContact NE2-OE1 2.79Å; L1547-E1758 HydrophobicContact CD1-CG 3.73Å; L1547-E1758 HydrophobicContact CD2-CG 4.04Å; I1754-E1758 WeakPolarHBondContact O-CG 3.29Å; I1754-E1758 PolarHBondContact O-N 3.06Å; A1755-E1758 PolarHBondContact O-N 2.94Å; E1758-K1761 PolarHBondContact O-N 2.89Å; E1758-K1762 WeakPolarHBondContact O-CG 3.49Å; E1758-K1762 PolarHBondContact O-N 3.36Å
1759L86.9Confident87Confident0 Ų026.5 Ų26.50%014%0.137CC..Hα-helixtrans-61.9-45.517217960000112.3I1676 D1681 L1747 A1755 A1756 K1761 K1762 Y1763 I1842I1676-L1759 HydrophobicContact CG2-CD2 4.28Å; I1676-L1759 HydrophobicContact CG2-CG 4.19Å; D1681-L1759 HydrophobicContact CB-CD1 4.26Å; D1681-L1759 HydrophobicContact CB-CD2 4.35Å; L1747-L1759 HydrophobicContact CD1-CB 4.37Å; L1747-L1759 HydrophobicContact CD1-CD2 3.85Å; A1755-L1759 PolarHBondContact O-N 2.94Å; A1756-L1759 PolarHBondContact O-N 3.47Å; L1759-K1761 VanDerWaalsContact C-N 3.33Å; L1759-K1761 PolarHBondContact O-N 2.66Å; L1759-K1762 WeakPolarHBondContact O-CB 3.25Å; L1759-K1762 PolarHBondContact O-N 3.4Å; L1759-Y1763 PolarHBondContact O-N 2.94Å; L1759-I1842 HydrophobicContact CD1-CD1 3.85Å
1760I90.1Very high87.2Confident4 Ų425.2 Ų25.22%0.02113%0.131CC..Hα-helixtrans-58.7-44174.8-73164.3000111I1551 L1673 V1677 I1749 A1756 Y1757 Y1763 L1764I1551-I1760 HydrophobicContact CB-CG2 4.39Å; I1551-I1760 HydrophobicContact CD1-CB 4.17Å; I1551-I1760 HydrophobicContact CD1-CG2 3.93Å; I1551-I1760 HydrophobicContact CG1-CG2 3.99Å; I1551-I1760 HydrophobicContact CG2-CG2 3.52Å; L1673-I1760 HydrophobicContact CB-CD1 4.5Å; L1673-I1760 HydrophobicContact CB-CG1 4.34Å; L1673-I1760 HydrophobicContact CD1-CG2 3.9Å; L1673-I1760 HydrophobicContact CD2-CG1 4.32Å; L1673-I1760 HydrophobicContact CD2-CG2 3.9Å; L1673-I1760 HydrophobicContact CG-CG2 4.4Å; V1677-I1760 HydrophobicContact CG2-CD1 3.64Å; V1677-I1760 HydrophobicContact CG2-CG1 3.74Å; I1749-I1760 HydrophobicContact CD1-CD1 3.98Å; I1749-I1760 HydrophobicContact CG1-CD1 4.22Å; A1756-I1760 VanDerWaalsContact O-CG1 3.31Å; A1756-I1760 WeakPolarHBondContact O-CG1 3.21Å; A1756-I1760 PolarHBondContact O-N 3.44Å; Y1757-I1760 HydrophobicContact CD1-CD1 3.99Å; Y1757-I1760 HydrophobicContact CE1-CD1 4.46Å; Y1757-I1760 PolarHBondContact O-N 3.38Å; I1760-Y1763 PolarHBondContact O-N 3.06Å; I1760-L1764 HydrophobicContact CG2-CD1 3.71Å; I1760-L1764 HydrophobicContact CG2-CG 4.22Å; I1760-L1764 WeakPolarHBondContact O-CB 3.39Å; I1760-L1764 WeakPolarHBondContact O-CG 3.39Å; I1760-L1764 PolarHBondContact O-N 3.2Å
1761K90.2Very high87.5Confident48 Ų4822.1 Ų22.121%0.20912%0.115CC..Hα-helixtrans-62.9-44.1177.7-177.9176.5175.4177.60111.4L1547 E1550 I1551 L1554 Y1757 E1758 L1759 L1764 I1765L1547-K1761 HydrophobicContact CD2-CD 3.89Å; E1550-K1761 VanDerWaalsContact CD-NZ 3.3Å; E1550-K1761 IonicContact OE1-NZ 2.72Å; E1550-K1761 PolarHBondContact OE1-NZ 2.85Å; E1550-K1761 WeakPolarHBondContact OE2-CE 3.32Å; E1550-K1761 IonicContact OE2-NZ 2.71Å; E1550-K1761 PolarHBondContact OE2-NZ 2.85Å; I1551-K1761 HydrophobicContact CD1-CB 4.42Å; I1551-K1761 HydrophobicContact CG1-CB 4.27Å; L1554-K1761 HydrophobicContact CD1-CG 4.2Å; Y1757-K1761 WeakPolarHBondContact O-CB 3.26Å; Y1757-K1761 PolarHBondContact O-N 3.49Å; E1758-K1761 PolarHBondContact O-N 2.89Å; L1759-K1761 VanDerWaalsContact C-N 3.33Å; L1759-K1761 PolarHBondContact O-N 2.66Å; K1761-L1764 PolarHBondContact O-N 2.99Å; K1761-I1765 HydrophobicContact CG-CD1 3.97Å; K1761-I1765 WeakPolarHBondContact O-CB 3.34Å; K1761-I1765 WeakPolarHBondContact O-CG1 3.47Å; K1761-I1765 PolarHBondContact O-N 3.41Å; K1761-I1765 VanDerWaalsContact O-N 3.11Å
1762K85.9Confident87.4Confident43 Ų4317.9 Ų17.919%0.1879%0.092CC..Hα-helixtrans-55.9-50.4172.6-70.1170.8-172.1179.20111D1681 E1758 L1759 L1766D1681-K1762 IonicContact OD1-NZ 3.76Å; D1681-K1762 IonicContact OD2-NZ 2.64Å; D1681-K1762 PolarHBondContact OD2-NZ 3.17Å; E1758-K1762 WeakPolarHBondContact O-CG 3.49Å; E1758-K1762 PolarHBondContact O-N 3.36Å; L1759-K1762 WeakPolarHBondContact O-CB 3.25Å; L1759-K1762 PolarHBondContact O-N 3.4Å; K1762-L1766 WeakPolarHBondContact O-CB 3.37Å; K1762-L1766 PolarHBondContact O-N 3.36Å
1763Y88.8Confident87.4Confident0 Ų015.7 Ų15.70%08%0.079CC..Hα-helixtrans-65.4-43.8180169.3-93.7000113.2T1672 L1673 I1676 L1759 I1760 I1765 L1766 R1767 E1841 I1842 R1845T1672-Y1763 WeakPolarHBondContact CG2-OH 3.24Å; L1673-Y1763 HydrophobicContact CD2-CD1 3.55Å; L1673-Y1763 HydrophobicContact CD2-CE1 3.84Å; I1676-Y1763 HydrophobicContact CD1-CD1 3.62Å; I1676-Y1763 HydrophobicContact CD1-CD2 3.45Å; I1676-Y1763 VanDerWaalsContact CD1-CD2 3.45Å; I1676-Y1763 HydrophobicContact CD1-CE1 3.55Å; I1676-Y1763 HydrophobicContact CD1-CE2 3.34Å; I1676-Y1763 HydrophobicContact CD1-CG 3.57Å; L1759-Y1763 PolarHBondContact O-N 2.94Å; I1760-Y1763 PolarHBondContact O-N 3.06Å; Y1763-I1765 VanDerWaalsContact C-N 3.33Å; Y1763-I1765 PolarHBondContact O-N 3.26Å; Y1763-L1766 WeakPolarHBondContact O-CB 3.46Å; Y1763-L1766 PolarHBondContact O-N 2.9Å; Y1763-R1767 HydrophobicContact CE1-CB 4.4Å; Y1763-R1767 PolarHBondContact O-N 3.03Å; Y1763-R1767 WeakPolarHBondContact OH-CD 3.46Å; Y1763-R1767 PolarHBondContact OH-NH1 2.72Å; Y1763-R1767 VanDerWaalsContact OH-NH1 3.11Å; Y1763-E1841 HydrophobicContact CE2-CG 4.27Å; Y1763-E1841 PolarHBondContact OH-OE1 3.43Å; Y1763-I1842 HydrophobicContact CD2-CB 4.45Å; Y1763-I1842 HydrophobicContact CD2-CG1 4.42Å; Y1763-R1845 HydrophobicContact CE2-CG 4Å
1764L90.7Very high87.4Confident2 Ų216.5 Ų16.51%0.018%0.082CC..Hα-helixtrans-63.1-39.7179.8-73.8172.8000111.7I1551 L1554 K1555 L1558 L1673 I1760 K1761 K1768I1551-L1764 HydrophobicContact CG2-CD1 4.04Å; L1554-L1764 HydrophobicContact CB-CB 4.23Å; L1554-L1764 HydrophobicContact CB-CD1 3.92Å; L1554-L1764 HydrophobicContact CD1-CB 4.49Å; K1555-L1764 HydrophobicContact CB-CD1 4.35Å; L1558-L1764 HydrophobicContact CD2-CD2 3.64Å; L1673-L1764 HydrophobicContact CD1-CD1 4.39Å; L1673-L1764 HydrophobicContact CD1-CD2 4.42Å; L1673-L1764 HydrophobicContact CD2-CD2 4.14Å; L1673-L1764 HydrophobicContact CD2-CG 4.19Å; I1760-L1764 HydrophobicContact CG2-CD1 3.71Å; I1760-L1764 HydrophobicContact CG2-CG 4.22Å; I1760-L1764 WeakPolarHBondContact O-CB 3.39Å; I1760-L1764 WeakPolarHBondContact O-CG 3.39Å; I1760-L1764 PolarHBondContact O-N 3.2Å; K1761-L1764 PolarHBondContact O-N 2.99Å; L1764-K1768 VanDerWaalsContact O-CB 3.26Å; L1764-K1768 WeakPolarHBondContact O-CB 3.39Å; L1764-K1768 PolarHBondContact O-N 3.06Å
1765I87.6Confident87.4Confident13 Ų1317.4 Ų17.47%0.0678%0.084CC..Hα-helixtrans-65.3-43.5173.6-69.1168.9000110.9V64 L1554 K1761 Y1763 K1768 R1769V64-I1765 HydrophobicContact CG2-CG2 4.07Å; L1554-I1765 HydrophobicContact CD1-CG1 4.3Å; K1761-I1765 HydrophobicContact CG-CD1 3.97Å; K1761-I1765 WeakPolarHBondContact O-CB 3.34Å; K1761-I1765 WeakPolarHBondContact O-CG1 3.47Å; K1761-I1765 PolarHBondContact O-N 3.41Å; K1761-I1765 VanDerWaalsContact O-N 3.11Å; Y1763-I1765 VanDerWaalsContact C-N 3.33Å; Y1763-I1765 PolarHBondContact O-N 3.26Å; I1765-K1768 PolarHBondContact O-N 2.85Å; I1765-R1769 WeakPolarHBondContact O-CG 3.48Å; I1765-R1769 PolarHBondContact O-N 3.47Å
1766L86.8Confident87Confident8 Ų815.8 Ų15.84%0.0427%0.071CC..Hα-helixtrans-59.4-50.8175.3171.359.9000111.9K1762 Y1763 K1768 R1769 I1770 I1842 R1845 Q1846 L1849K1762-L1766 WeakPolarHBondContact O-CB 3.37Å; K1762-L1766 PolarHBondContact O-N 3.36Å; Y1763-L1766 WeakPolarHBondContact O-CB 3.46Å; Y1763-L1766 PolarHBondContact O-N 2.9Å; L1766-K1768 PolarHBondContact O-N 3.29Å; L1766-R1769 WeakPolarHBondContact O-CB 3.37Å; L1766-R1769 PolarHBondContact O-N 3.41Å; L1766-I1770 HydrophobicContact CD1-CD1 3.8Å; L1766-I1770 HydrophobicContact CD1-CG1 4.34Å; L1766-I1770 HydrophobicContact CG-CD1 3.93Å; L1766-I1770 WeakPolarHBondContact O-CD1 3.34Å; L1766-I1770 VanDerWaalsContact O-CG1 3.31Å; L1766-I1770 WeakPolarHBondContact O-CG1 3.4Å; L1766-I1770 PolarHBondContact O-N 3.08Å; L1766-I1842 HydrophobicContact CD2-CG1 4.05Å; L1766-R1845 HydrophobicContact CD2-CB 3.96Å; L1766-R1845 HydrophobicContact CG-CB 4.18Å; L1766-Q1846 HydrophobicContact CD2-CB 4.27Å; L1766-L1849 HydrophobicContact CD1-CB 4.11Å; L1766-L1849 HydrophobicContact CD1-CD2 3.48Å; L1766-L1849 VanDerWaalsContact CD1-CD2 3.48Å; L1766-L1849 HydrophobicContact CD1-CG 4.38Å
1767R88.6Confident87Confident22 Ų2216 Ų168%0.0837%0.072CC..Hα-helixtrans-62.7-42.3178.3-174.9161.5168.2-166.3-8.4111.3L1558 Y1763 R1769 I1770 E1771L1558-R1767 HydrophobicContact CD1-CG 4.26Å; L1558-R1767 HydrophobicContact CD2-CB 4.28Å; L1558-R1767 HydrophobicContact CD2-CG 4.05Å; Y1763-R1767 HydrophobicContact CE1-CB 4.4Å; Y1763-R1767 PolarHBondContact O-N 3.03Å; Y1763-R1767 WeakPolarHBondContact OH-CD 3.46Å; Y1763-R1767 PolarHBondContact OH-NH1 2.72Å; Y1763-R1767 VanDerWaalsContact OH-NH1 3.11Å; R1767-R1769 PolarHBondContact O-N 3.16Å; R1767-I1770 PolarHBondContact O-N 2.98Å; R1767-I1770 VanDerWaalsContact O-N 3.13Å; R1767-E1771 HydrophobicContact CG-CG 4.24Å; R1767-E1771 IonicContact NE-OE1 2.71Å; R1767-E1771 WeakPolarHBondContact O-CG 3.35Å; R1767-E1771 PolarHBondContact O-N 3.42Å
1768K88.5Confident86.8Confident2 Ų215.4 Ų15.41%0.0097%0.07CC..Hα-helixtrans-59.7-41.1176.1-171.2174178.3175.50113.2V64 L65 N696 D1557 L1558 L1764 I1765 L1766 S1772V64-K1768 HydrophobicContact CB-CD 4.03Å; V64-K1768 HydrophobicContact CB-CG 4.14Å; V64-K1768 HydrophobicContact CG1-CG 4.18Å; V64-K1768 HydrophobicContact CG2-CB 4.48Å; V64-K1768 HydrophobicContact CG2-CD 4.2Å; V64-K1768 HydrophobicContact CG2-CG 4.37Å; L65-K1768 PolarHBondContact O-NZ 2.98Å; N696-K1768 HydrophobicContact CB-CG 4.07Å; N696-K1768 WeakPolarHBondContact OD1-CE 3.45Å; N696-K1768 VanDerWaalsContact OD1-CG 3.3Å; N696-K1768 WeakPolarHBondContact OD1-CG 3.26Å; D1557-K1768 WeakPolarHBondContact OD2-CE 3.34Å; D1557-K1768 IonicContact OD2-NZ 3.9Å; D1557-K1768 PolarHBondContact OD2-NZ 2.88Å; L1558-K1768 HydrophobicContact CD1-CB 4.17Å; L1764-K1768 VanDerWaalsContact O-CB 3.26Å; L1764-K1768 WeakPolarHBondContact O-CB 3.39Å; L1764-K1768 PolarHBondContact O-N 3.06Å; I1765-K1768 PolarHBondContact O-N 2.85Å; L1766-K1768 PolarHBondContact O-N 3.29Å; K1768-S1772 PolarHBondContact O-N 3.41Å
1769R85.9Confident86.4Confident22 Ų2212.9 Ų12.98%0.0836%0.059CC..Hα-helixtrans-60.3-47.5172.2-73.8166.5169.4157.63.2111.3M62 V64 A1687 G1688 I1765 L1766 R1767 S1772 L1773 L1849M62-R1769 PolarHBondContact O-NE 2.83Å; M62-R1769 HydrophobicContact SD-CB 4.39Å; M62-R1769 HydrophobicContact SD-CG 4.24Å; V64-R1769 HydrophobicContact CG1-CB 4.36Å; V64-R1769 HydrophobicContact CG1-CG 3.67Å; V64-R1769 HydrophobicContact CG2-CG 4.04Å; A1687-R1769 PolarHBondContact O-NH1 3.46Å; G1688-R1769 PolarHBondContact O-NH1 2.93Å; G1688-R1769 PolarHBondContact O-NH2 3.29Å; I1765-R1769 WeakPolarHBondContact O-CG 3.48Å; I1765-R1769 PolarHBondContact O-N 3.47Å; L1766-R1769 WeakPolarHBondContact O-CB 3.37Å; L1766-R1769 PolarHBondContact O-N 3.41Å; R1767-R1769 PolarHBondContact O-N 3.16Å; R1769-S1772 PolarHBondContact O-N 2.88Å; R1769-L1773 WeakPolarHBondContact O-CG 3.33Å; R1769-L1773 PolarHBondContact O-N 3.29Å; R1769-L1773 VanDerWaalsContact O-N 3.11Å; R1769-L1849 HydrophobicContact CB-CD1 4.08Å
1770I87.6Confident85.9Confident0 Ų017.1 Ų17.10%08%0.075CC..Hα-helixtrans-60.9-51.7-179.5-66.9158000111.2L1766 R1767 S1772 L1773 K1774 R1845 Q1848 L1849 L1852L1766-I1770 HydrophobicContact CD1-CD1 3.8Å; L1766-I1770 HydrophobicContact CD1-CG1 4.34Å; L1766-I1770 HydrophobicContact CG-CD1 3.93Å; L1766-I1770 WeakPolarHBondContact O-CD1 3.34Å; L1766-I1770 VanDerWaalsContact O-CG1 3.31Å; L1766-I1770 WeakPolarHBondContact O-CG1 3.4Å; L1766-I1770 PolarHBondContact O-N 3.08Å; R1767-I1770 PolarHBondContact O-N 2.98Å; R1767-I1770 VanDerWaalsContact O-N 3.13Å; I1770-S1772 VanDerWaalsContact C-N 3.29Å; I1770-S1772 PolarHBondContact O-N 2.86Å; I1770-L1773 CarbonylContact O-C 3.41Å; I1770-L1773 PolarHBondContact O-N 2.73Å; I1770-L1773 VanDerWaalsContact O-N 3.14Å; I1770-K1774 VanDerWaalsContact O-CB 3.27Å; I1770-K1774 WeakPolarHBondContact O-CB 3.47Å; I1770-K1774 PolarHBondContact O-N 2.86Å; I1770-R1845 VanDerWaalsContact CD1-C 3.49Å; I1770-R1845 HydrophobicContact CD1-CB 3.44Å; I1770-R1845 VanDerWaalsContact CD1-CB 3.44Å; I1770-R1845 HydrophobicContact CD1-CG 4.15Å; I1770-R1845 WeakPolarHBondContact CD1-O 3.36Å; I1770-Q1848 HydrophobicContact CG2-CB 4.25Å; I1770-L1849 HydrophobicContact CD1-CB 4.27Å; I1770-L1849 HydrophobicContact CG1-CB 3.76Å; I1770-L1849 HydrophobicContact CG1-CD1 4.25Å; I1770-L1852 HydrophobicContact CG2-CD1 4.14Å
1771E87.7Confident85.5Confident3 Ų322.7 Ų22.71%0.01410%0.096CC..Hα-helixtrans-61.1-40-177.6-57.2-52.2167.400111.4L1558 N1562 R1767 L1773 K1774 Y1775 R1845L1558-E1771 HydrophobicContact CD1-CG 4.36Å; N1562-E1771 HydrophobicContact CB-CB 4.32Å; N1562-E1771 HydrophobicContact CB-CG 4.3Å; N1562-E1771 VanDerWaalsContact ND2-CB 3.29Å; N1562-E1771 WeakPolarHBondContact ND2-CB 3.14Å; R1767-E1771 HydrophobicContact CG-CG 4.24Å; R1767-E1771 IonicContact NE-OE1 2.71Å; R1767-E1771 WeakPolarHBondContact O-CG 3.35Å; R1767-E1771 PolarHBondContact O-N 3.42Å; E1771-L1773 VanDerWaalsContact C-N 3.35Å; E1771-L1773 PolarHBondContact O-N 3.33Å; E1771-K1774 WeakPolarHBondContact O-CB 3.5Å; E1771-K1774 PolarHBondContact O-N 2.79Å; E1771-K1774 WeakPolarHBondContact OE2-CD 3.16Å; E1771-K1774 VanDerWaalsContact OE2-CE 3.26Å; E1771-K1774 WeakPolarHBondContact OE2-CE 3.31Å; E1771-K1774 IonicContact OE2-NZ 3.19Å; E1771-K1774 PolarHBondContact OE2-NZ 2.95Å; E1771-Y1775 WeakPolarHBondContact O-CD2 3.44Å; E1771-Y1775 PolarHBondContact O-N 3.41Å; E1771-R1845 IonicContact OE1-NH1 2.7Å
1772S80.9Confident85.1Confident6 Ų622.6 Ų22.64%0.04210%0.097CC..Hα-helixtrans-58-46.2174.9-155.60000112.6N696 K1768 R1769 I1770 A1776N696-S1772 WeakPolarHBondContact CB-OG 3.44Å; K1768-S1772 PolarHBondContact O-N 3.41Å; R1769-S1772 PolarHBondContact O-N 2.88Å; I1770-S1772 VanDerWaalsContact C-N 3.29Å; I1770-S1772 PolarHBondContact O-N 2.86Å; S1772-A1776 WeakPolarHBondContact O-CB 3.43Å; S1772-A1776 PolarHBondContact O-N 3.33Å; S1772-A1776 VanDerWaalsContact O-N 3.13Å
1773L83.7Confident84.5Confident1 Ų123.9 Ų23.91%0.00512%0.123CC..Hα-helixtrans-74.2-32.3-179.6-68.7174.9000111.6M62 R1769 I1770 E1771 W1777 L1849 L1852 I1853 F1856M62-L1773 HydrophobicContact SD-CD1 4.29Å; R1769-L1773 WeakPolarHBondContact O-CG 3.33Å; R1769-L1773 PolarHBondContact O-N 3.29Å; R1769-L1773 VanDerWaalsContact O-N 3.11Å; I1770-L1773 CarbonylContact O-C 3.41Å; I1770-L1773 PolarHBondContact O-N 2.73Å; I1770-L1773 VanDerWaalsContact O-N 3.14Å; E1771-L1773 VanDerWaalsContact C-N 3.35Å; E1771-L1773 PolarHBondContact O-N 3.33Å; L1773-W1777 WeakPolarHBondContact O-CB 3.31Å; L1773-W1777 PolarHBondContact O-N 3.34Å; L1773-L1849 HydrophobicContact CD1-CD1 3.68Å; L1773-L1852 HydrophobicContact CB-CB 4.08Å; L1773-L1852 HydrophobicContact CB-CD1 3.93Å; L1773-L1852 HydrophobicContact CB-CG 4.47Å; L1773-I1853 HydrophobicContact CD1-CG1 4.19Å; L1773-F1856 HydrophobicContact CB-CE2 3.91Å; L1773-F1856 HydrophobicContact CD2-CD2 3.91Å; L1773-F1856 HydrophobicContact CD2-CE2 3.59Å; L1773-F1856 HydrophobicContact CG-CE2 4.3Å; L1773-F1856 WeakPolarHBondContact O-CZ 3.49Å
1774K88.3Confident83.9Confident19 Ų1927.1 Ų27.18%0.08314%0.139CC..Hα-helixtrans-60.9-49.8174.7-163.3-169.779.4-167.60110.9E1566 I1770 E1771 W1777 G1778 F1796 Y1800 L1852E1566-K1774 WeakPolarHBondContact OE1-CE 3.25Å; E1566-K1774 IonicContact OE1-NZ 3.96Å; E1566-K1774 PolarHBondContact OE1-NZ 2.91Å; E1566-K1774 IonicContact OE2-NZ 2.75Å; E1566-K1774 PolarHBondContact OE2-NZ 3.42Å; I1770-K1774 VanDerWaalsContact O-CB 3.27Å; I1770-K1774 WeakPolarHBondContact O-CB 3.47Å; I1770-K1774 PolarHBondContact O-N 2.86Å; E1771-K1774 WeakPolarHBondContact O-CB 3.5Å; E1771-K1774 PolarHBondContact O-N 2.79Å; E1771-K1774 WeakPolarHBondContact OE2-CD 3.16Å; E1771-K1774 VanDerWaalsContact OE2-CE 3.26Å; E1771-K1774 WeakPolarHBondContact OE2-CE 3.31Å; E1771-K1774 IonicContact OE2-NZ 3.19Å; E1771-K1774 PolarHBondContact OE2-NZ 2.95Å; K1774-W1777 PolarHBondContact O-N 3.28Å; K1774-G1778 PolarHBondContact O-N 3.08Å; K1774-F1796 HydrophobicContact CD-CZ 4.2Å; K1774-F1796 HydrophobicContact CG-CE2 4.36Å; K1774-F1796 HydrophobicContact CG-CZ 3.87Å; K1774-F1796 WeakPolarHBondContact O-CE2 3.26Å; K1774-Y1800 HydrophobicContact CD-CD1 4.15Å; K1774-Y1800 HydrophobicContact CD-CE1 3.89Å; K1774-Y1800 HydrophobicContact CD-CE2 4.5Å; K1774-Y1800 HydrophobicContact CG-CD1 4.26Å; K1774-Y1800 HydrophobicContact CG-CD2 3.96Å; K1774-Y1800 HydrophobicContact CG-CE1 4.05Å; K1774-Y1800 HydrophobicContact CG-CE2 3.75Å; K1774-Y1800 HydrophobicContact CG-CG 4.22Å; K1774-L1852 HydrophobicContact CB-CD1 4.45Å
1775Y85.3Confident82.8Confident44 Ų4432.2 Ų32.217%0.17316%0.163CC..Hα-helixtrans-66.9-45.7177.3-89.3-87.9000112.4E1566 E1771 W1777 G1778 T1779 I1787 F1796E1566-Y1775 HydrophobicContact CG-CE2 4.47Å; E1566-Y1775 WeakPolarHBondContact CG-OH 3.43Å; E1771-Y1775 WeakPolarHBondContact O-CD2 3.44Å; E1771-Y1775 PolarHBondContact O-N 3.41Å; Y1775-W1777 PolarHBondContact O-N 3.5Å; Y1775-G1778 PolarHBondContact O-N 2.84Å; Y1775-G1778 VanDerWaalsContact O-N 3.11Å; Y1775-T1779 PolarHBondContact O-N 3.35Å; Y1775-T1779 PolarHBondContact O-OG1 3.28Å; Y1775-I1787 HydrophobicContact CD1-CD1 4.16Å; Y1775-I1787 HydrophobicContact CE1-CB 4.32Å; Y1775-F1796 HydrophobicContact CE1-CE1 4.43Å
1776A79Confident82.2Confident8 Ų834.7 Ų34.77%0.06617%0.172CC..Hα-helixtrans-64-26.2177.500000113.1S1772 T1779 R1780 F1856S1772-A1776 WeakPolarHBondContact O-CB 3.43Å; S1772-A1776 PolarHBondContact O-N 3.33Å; S1772-A1776 VanDerWaalsContact O-N 3.13Å; A1776-T1779 PolarHBondContact O-OG1 2.84Å; A1776-R1780 PolarHBondContact O-NH1 3.32Å; A1776-F1856 HydrophobicContact CB-CZ 3.86Å
1777W86.9Confident82Confident4 Ų434.6 Ų34.62%0.01517%0.171CC..Hα-helixtrans-75.8-45.3172175.790.9000110.3L1773 K1774 Y1775 T1779 R1780 R1781 Y1800 E1803 Q1804 L1852 F1856 F1859L1773-W1777 WeakPolarHBondContact O-CB 3.31Å; L1773-W1777 PolarHBondContact O-N 3.34Å; K1774-W1777 PolarHBondContact O-N 3.28Å; Y1775-W1777 PolarHBondContact O-N 3.5Å; W1777-T1779 PolarHBondContact O-N 3.17Å; W1777-R1780 PolarHBondContact O-N 2.93Å; W1777-R1781 HydrophobicContact CD2-CB 4.44Å; W1777-R1781 HydrophobicContact CH2-CB 4.4Å; W1777-R1781 HydrophobicContact CH2-CG 3.96Å; W1777-R1781 HydrophobicContact CZ2-CB 4.34Å; W1777-R1781 HydrophobicContact CZ2-CG 3.92Å; W1777-R1781 HydrophobicContact CZ3-CB 4.48Å; W1777-R1781 HydrophobicContact CZ3-CG 4.46Å; W1777-R1781 VanDerWaalsContact O-CB 3.25Å; W1777-R1781 WeakPolarHBondContact O-CB 3.19Å; W1777-R1781 PolarHBondContact O-N 3.27Å; W1777-Y1800 AromaticContact CE3-CD2 3.92Å; W1777-Y1800 HydrophobicContact CE3-CD2 3.92Å; W1777-Y1800 AromaticContact CZ3-CD2 3.84Å; W1777-Y1800 HydrophobicContact CZ3-CD2 3.84Å; W1777-Y1800 HydrophobicContact CZ3-CG 4.4Å; W1777-E1803 HydrophobicContact CH2-CB 4.26Å; W1777-E1803 HydrophobicContact CZ2-CB 4.27Å; W1777-E1803 VanDerWaalsContact CZ2-OE2 3.28Å; W1777-E1803 WeakPolarHBondContact CZ2-OE2 3.38Å; W1777-Q1804 HydrophobicContact CH2-CG 4.11Å; W1777-Q1804 HydrophobicContact CZ2-CG 3.82Å; W1777-L1852 HydrophobicContact CB-CD2 3.88Å; W1777-L1852 HydrophobicContact CG-CD2 4.03Å; W1777-F1856 HydrophobicContact CB-CE1 4.46Å; W1777-F1856 HydrophobicContact CB-CE2 4.37Å; W1777-F1856 HydrophobicContact CB-CZ 3.84Å; W1777-F1859 AromaticContact CD1-CE2 4Å
1778G84.9Confident81.9Confident1 Ų137 Ų371%0.0119%0.185CC..Hα-helixtrans-60-44.7179.700000114K1774 Y1775 R1781 L1782K1774-G1778 PolarHBondContact O-N 3.08Å; Y1775-G1778 PolarHBondContact O-N 2.84Å; Y1775-G1778 VanDerWaalsContact O-N 3.11Å; G1778-R1781 PolarHBondContact O-N 2.7Å; G1778-L1782 WeakPolarHBondContact O-CB 3.38Å; G1778-L1782 WeakPolarHBondContact O-CG 3.46Å; G1778-L1782 PolarHBondContact O-N 2.97Å
1779T80.4Confident81.8Confident20 Ų2038.8 Ų38.812%0.12320%0.197CC..Hα-helixtrans-62.2-48.1177.950.20000111.8Y1775 A1776 W1777 G1783 I1784 E1785 I1787Y1775-T1779 PolarHBondContact O-N 3.35Å; Y1775-T1779 PolarHBondContact O-OG1 3.28Å; A1776-T1779 PolarHBondContact O-OG1 2.84Å; W1777-T1779 PolarHBondContact O-N 3.17Å; T1779-G1783 PolarHBondContact O-N 2.89Å; T1779-I1784 CarbonylContact C-O 3.59Å; T1779-I1784 WeakPolarHBondContact CA-O 3.42Å; T1779-I1784 WeakPolarHBondContact CB-O 3.29Å; T1779-I1784 PolarHBondContact O-N 2.83Å; T1779-I1784 VanDerWaalsContact O-N 3.1Å; T1779-E1785 WeakPolarHBondContact CG2-O 3.46Å; T1779-I1787 HydrophobicContact CG2-CD1 4.32Å; T1779-I1787 HydrophobicContact CG2-CG1 4.11Å
1780R76.2Confident81.9Confident89 Ų8938.3 Ų38.334%0.33620%0.197SC..Hα-helixtrans-59.1-47.1172.6-77.7179-173.362.64.7112.5L703 N704 A1776 W1777 L1782 G1783L703-R1780 PolarHBondContact O-NH2 3.33Å; N704-R1780 PolarHBondContact OD1-NH1 2.97Å; N704-R1780 PolarHBondContact OD1-NH2 3Å; N704-R1780 VanDerWaalsContact OD1-NH2 3.11Å; A1776-R1780 PolarHBondContact O-NH1 3.32Å; W1777-R1780 PolarHBondContact O-N 2.93Å; R1780-L1782 VanDerWaalsContact C-N 3.31Å; R1780-L1782 PolarHBondContact O-N 3.31Å; R1780-G1783 PolarHBondContact O-N 3.42Å
1781R81Confident82Confident122 Ų12246.8 Ų46.846%0.4623%0.234SC..Hα-helixtrans-67.3-32.3-174.4-17163.3179.7131.9-1.3112.4W1777 G1778 E1803W1777-R1781 HydrophobicContact CD2-CB 4.44Å; W1777-R1781 HydrophobicContact CH2-CB 4.4Å; W1777-R1781 HydrophobicContact CH2-CG 3.96Å; W1777-R1781 HydrophobicContact CZ2-CB 4.34Å; W1777-R1781 HydrophobicContact CZ2-CG 3.92Å; W1777-R1781 HydrophobicContact CZ3-CB 4.48Å; W1777-R1781 HydrophobicContact CZ3-CG 4.46Å; W1777-R1781 VanDerWaalsContact O-CB 3.25Å; W1777-R1781 WeakPolarHBondContact O-CB 3.19Å; W1777-R1781 PolarHBondContact O-N 3.27Å; G1778-R1781 PolarHBondContact O-N 2.7Å; R1781-E1803 IonicContact CZ-OE1 3.24Å; R1781-E1803 IonicContact CZ-OE2 2.67Å; R1781-E1803 IonicContact NE-OE1 2.68Å; R1781-E1803 PolarHBondContact NE-OE1 2.97Å; R1781-E1803 IonicContact NE-OE2 3.42Å; R1781-E1803 PolarHBondContact NE-OE2 2.93Å; R1781-E1803 IonicContact NH2-OE1 2.9Å; R1781-E1803 PolarHBondContact NH2-OE1 3.15Å; R1781-E1803 IonicContact NH2-OE2 2.8Å
1782L81.9Confident82Confident45 Ų4548.1 Ų48.124%0.23624%0.242CC..Hα-helixtrans-85.6-21.4175.1-72.1172.3000114G1778 R1780 I1784 I1787 M1795 F1796 L1799G1778-L1782 WeakPolarHBondContact O-CB 3.38Å; G1778-L1782 WeakPolarHBondContact O-CG 3.46Å; G1778-L1782 PolarHBondContact O-N 2.97Å; R1780-L1782 VanDerWaalsContact C-N 3.31Å; R1780-L1782 PolarHBondContact O-N 3.31Å; L1782-I1784 HydrophobicContact CB-CB 4.41Å; L1782-I1784 HydrophobicContact CB-CD1 3.98Å; L1782-I1784 HydrophobicContact CB-CG1 3.97Å; L1782-I1784 HydrophobicContact CD1-CD1 4.43Å; L1782-I1787 HydrophobicContact CD1-CD1 4.49Å; L1782-M1795 HydrophobicContact CD2-CG 3.79Å; L1782-F1796 HydrophobicContact CD1-CB 4.03Å; L1782-L1799 HydrophobicContact CD2-CD1 3.57Å; L1782-L1799 HydrophobicContact CG-CD1 4.35Å
1783G74.4Confident82.3Confident70 Ų7048.4 Ų48.472%0.72224%0.243SC*.THydrogen-bonded Turntrans71.833.6-171.200000113.5T1779 R1780T1779-G1783 PolarHBondContact O-N 2.89Å; R1780-G1783 PolarHBondContact O-N 3.42Å
1784I74.8Confident82.6Confident68 Ų6853.6 Ų53.635%0.34927%0.265SS..  trans-128.9135.2-175.9-52.4175000109T1779 L1782 R1786 T1792T1779-I1784 CarbonylContact C-O 3.59Å; T1779-I1784 WeakPolarHBondContact CA-O 3.42Å; T1779-I1784 WeakPolarHBondContact CB-O 3.29Å; T1779-I1784 PolarHBondContact O-N 2.83Å; T1779-I1784 VanDerWaalsContact O-N 3.1Å; L1782-I1784 HydrophobicContact CB-CB 4.41Å; L1782-I1784 HydrophobicContact CB-CD1 3.98Å; L1782-I1784 HydrophobicContact CB-CG1 3.97Å; L1782-I1784 HydrophobicContact CD1-CD1 4.43Å; I1784-R1786 WeakPolarHBondContact CG2-O 3.23Å; I1784-R1786 PolarHBondContact O-N 3.05Å; I1784-T1792 HydrophobicContact CD1-CG2 3.88Å
1785E67.8Low82.6Confident109 Ų10957.8 Ų57.851%0.50929%0.286SS..SBendtrans-61.7-39.4-177.5-71.3-143.3174.400114.2K501 T1779K501-E1785 VanDerWaalsContact CE-OE2 3.23Å; K501-E1785 WeakPolarHBondContact CE-OE2 3.44Å; K501-E1785 IonicContact NZ-OE2 3.51Å; K501-E1785 PolarHBondContact NZ-OE2 3.33Å; T1779-E1785 WeakPolarHBondContact CG2-O 3.46Å
1786R75Confident82.8Confident66 Ų6655.8 Ų55.825%0.24928%0.279CS..  trans-141.4153.5-175.9-65.1-173.6-178.2129-1.4111.9D692 I1784D692-R1786 IonicContact OD1-CZ 2.75Å; D692-R1786 IonicContact OD1-NE 2.77Å; D692-R1786 IonicContact OD1-NH2 2.84Å; D692-R1786 PolarHBondContact OD1-NH2 3.38Å; I1784-R1786 WeakPolarHBondContact CG2-O 3.23Å; I1784-R1786 PolarHBondContact O-N 3.05Å
1787I83.2Confident83.2Confident5 Ų557.8 Ų57.83%0.02629%0.291CS..  trans-109.385178.5-54.7174.6000108Y1577 Y1775 T1779 L1782 F1793 F1796Y1577-I1787 PolarHBondContact OH-O 3.5Å; Y1775-I1787 HydrophobicContact CD1-CD1 4.16Å; Y1775-I1787 HydrophobicContact CE1-CB 4.32Å; T1779-I1787 HydrophobicContact CG2-CD1 4.32Å; T1779-I1787 HydrophobicContact CG2-CG1 4.11Å; L1782-I1787 HydrophobicContact CD1-CD1 4.49Å; I1787-F1793 HydrophobicContact CG2-CB 3.98Å; I1787-F1793 HydrophobicContact CG2-CD2 4.11Å; I1787-F1796 HydrophobicContact CD1-CB 4.02Å; I1787-F1796 HydrophobicContact CD1-CD1 3.95Å; I1787-F1796 HydrophobicContact CD1-CD2 3.82Å; I1787-F1796 HydrophobicContact CD1-CE1 4.27Å; I1787-F1796 HydrophobicContact CD1-CE2 4.17Å; I1787-F1796 HydrophobicContact CD1-CG 3.68Å; I1787-F1796 HydrophobicContact CD1-CZ 4.35Å; I1787-F1796 HydrophobicContact CG2-CB 4.45Å; I1787-F1796 HydrophobicContact CG2-CD1 4.44Å
1788N85.7Confident83.1Confident72 Ų7258.6 Ų58.639%0.38530%0.298SS..  trans-1201.1-169.766.7-31.6000115.1L1569 Y1577L1569-N1788 WeakPolarHBondContact CD2-O 3.43Å; Y1577-N1788 HydrophobicContact CE1-CB 3.79Å
1789T87.1Confident83.2Confident40 Ų4060.9 Ų60.925%0.24531%0.309CS..SBendtrans-118.8150.7175.771.50000110.1E1574 K1791 T1792 F1793E1574-T1789 WeakPolarHBondContact OE1-CA 3.4Å; T1789-K1791 PolarHBondContact O-N 3.47Å; T1789-T1792 PolarHBondContact N-OG1 2.88Å; T1789-T1792 PolarHBondContact O-N 3.5Å; T1789-T1792 PolarHBondContact O-OG1 2.85Å; T1789-T1792 PolarHBondContact OG1-N 3.08Å; T1789-T1792 PolarHBondContact OG1-OG1 3.14Å; T1789-F1793 VanDerWaalsContact O-CB 3.29Å; T1789-F1793 WeakPolarHBondContact O-CB 3.39Å; T1789-F1793 PolarHBondContact O-N 2.91Å
1790S88.9Confident83.6Confident13 Ų1360.9 Ų60.99%0.09131%0.307CS..Hα-helixtrans-55.7-33.4174.5-163.90000111.6L1569 E1574 K1794L1569-S1790 WeakPolarHBondContact O-CA 3.43Å; L1569-S1790 VanDerWaalsContact O-CB 3.23Å; L1569-S1790 WeakPolarHBondContact O-CB 3.46Å; L1569-S1790 PolarHBondContact O-OG 3.26Å; E1574-S1790 WeakPolarHBondContact OE1-CB 3.25Å; E1574-S1790 PolarHBondContact OE1-N 3.04Å; S1790-K1794 VanDerWaalsContact O-CB 3.32Å; S1790-K1794 WeakPolarHBondContact O-CB 3.31Å; S1790-K1794 WeakPolarHBondContact O-CD 3.43Å; S1790-K1794 VanDerWaalsContact O-CG 3.23Å; S1790-K1794 WeakPolarHBondContact O-CG 3.14Å; S1790-K1794 PolarHBondContact O-N 3.15Å; S1790-K1794 PolarHBondContact OG-NZ 3.01Å
1791K88.7Confident83.9Confident178 Ų17858 Ų5877%0.77430%0.297SS*.Hα-helixtrans-69.9-48.8177.3-174-176.1175.7-170.80112.6T1789 F1793 M1795T1789-K1791 PolarHBondContact O-N 3.47Å; K1791-F1793 VanDerWaalsContact C-N 3.34Å; K1791-M1795 PolarHBondContact O-N 3.46Å
1792T87.7Confident83.9Confident30 Ų3056.2 Ų56.218%0.18430%0.297CS..Hα-helixtrans-68.9-35.7177.850.80000111.4I1784 T1789 M1795 F1796I1784-T1792 HydrophobicContact CD1-CG2 3.88Å; T1789-T1792 PolarHBondContact N-OG1 2.88Å; T1789-T1792 PolarHBondContact O-N 3.5Å; T1789-T1792 PolarHBondContact O-OG1 2.85Å; T1789-T1792 PolarHBondContact OG1-N 3.08Å; T1789-T1792 PolarHBondContact OG1-OG1 3.14Å; T1792-M1795 PolarHBondContact O-N 3.5Å; T1792-F1796 WeakPolarHBondContact O-CB 3.31Å; T1792-F1796 PolarHBondContact O-N 2.88Å
1793F88.7Confident84Confident13 Ų1357.3 Ų57.36%0.05730%0.301CS..Hα-helixtrans-62.9-45.2174.3-175.5-110.6000113.1E1566 L1569 A1570 I1787 T1789 K1791 M1795 F1796 C1797E1566-F1793 HydrophobicContact CB-CE1 4.44Å; E1566-F1793 HydrophobicContact CB-CE2 4.12Å; E1566-F1793 HydrophobicContact CB-CZ 3.64Å; E1566-F1793 HydrophobicContact CG-CE2 3.66Å; E1566-F1793 HydrophobicContact CG-CZ 3.67Å; L1569-F1793 HydrophobicContact CB-CB 4.03Å; L1569-F1793 HydrophobicContact CB-CD1 3.8Å; L1569-F1793 HydrophobicContact CB-CD2 4.49Å; L1569-F1793 HydrophobicContact CB-CE1 4.44Å; L1569-F1793 HydrophobicContact CB-CG 3.84Å; L1569-F1793 HydrophobicContact CD1-CB 4.1Å; L1569-F1793 HydrophobicContact CD1-CD2 4.15Å; L1569-F1793 HydrophobicContact CD1-CG 4.12Å; A1570-F1793 HydrophobicContact CB-CE1 4.22Å; I1787-F1793 HydrophobicContact CG2-CB 3.98Å; I1787-F1793 HydrophobicContact CG2-CD2 4.11Å; T1789-F1793 VanDerWaalsContact O-CB 3.29Å; T1789-F1793 WeakPolarHBondContact O-CB 3.39Å; T1789-F1793 PolarHBondContact O-N 2.91Å; K1791-F1793 VanDerWaalsContact C-N 3.34Å; F1793-M1795 PolarHBondContact O-N 2.9Å; F1793-F1796 AromaticContact CD2-CD1 3.93Å; F1793-F1796 HydrophobicContact CD2-CD1 3.93Å; F1793-F1796 HydrophobicContact CD2-CE1 4.44Å; F1793-F1796 HydrophobicContact CE2-CD1 4.04Å; F1793-F1796 HydrophobicContact CE2-CE1 4.19Å; F1793-F1796 WeakPolarHBondContact O-CB 3.47Å; F1793-F1796 PolarHBondContact O-N 3.32Å; F1793-C1797 WeakPolarHBondContact CZ-SG 3.41Å; F1793-C1797 PolarHBondContact O-N 3.33Å; F1793-C1797 PolarHBondContact O-SG 3.48Å
1794K88.4Confident84.4Confident109 Ų10955.4 Ų55.447%0.47427%0.273SS..Hα-helixtrans-64.2-38.3177.1-76.7162.6179.8153.30112.4A1570 S1790 C1797 S1798A1570-K1794 WeakPolarHBondContact O-CE 3.49Å; A1570-K1794 PolarHBondContact O-NZ 3.35Å; S1790-K1794 VanDerWaalsContact O-CB 3.32Å; S1790-K1794 WeakPolarHBondContact O-CB 3.31Å; S1790-K1794 WeakPolarHBondContact O-CD 3.43Å; S1790-K1794 VanDerWaalsContact O-CG 3.23Å; S1790-K1794 WeakPolarHBondContact O-CG 3.14Å; S1790-K1794 PolarHBondContact O-N 3.15Å; S1790-K1794 PolarHBondContact OG-NZ 3.01Å; K1794-C1797 PolarHBondContact O-N 3.04Å; K1794-S1798 PolarHBondContact O-N 2.96Å; K1794-S1798 VanDerWaalsContact O-N 3.14Å
1795M88.2Confident84.7Confident107 Ų10753.3 Ų53.353%0.52726%0.262SS..Hα-helixtrans-63.9-47.4173-173.663.769.200112L1782 K1791 T1792 F1793 C1797 S1798 L1799L1782-M1795 HydrophobicContact CD2-CG 3.79Å; K1791-M1795 PolarHBondContact O-N 3.46Å; T1792-M1795 PolarHBondContact O-N 3.5Å; F1793-M1795 PolarHBondContact O-N 2.9Å; M1795-C1797 VanDerWaalsContact C-N 3.34Å; M1795-C1797 PolarHBondContact O-N 3.48Å; M1795-S1798 PolarHBondContact O-N 3.02Å; M1795-L1799 HydrophobicContact CG-CD1 4.24Å; M1795-L1799 WeakPolarHBondContact O-CG 3.4Å; M1795-L1799 PolarHBondContact O-N 3.31Å
1796F90.1Very high85.3Confident3 Ų352.6 Ų52.61%0.01326%0.256CS..Hα-helixtrans-55.6-45.9174.4161.7-119.9000112.3K1774 Y1775 L1782 I1787 T1792 F1793 L1799 Y1800K1774-F1796 HydrophobicContact CD-CZ 4.2Å; K1774-F1796 HydrophobicContact CG-CE2 4.36Å; K1774-F1796 HydrophobicContact CG-CZ 3.87Å; K1774-F1796 WeakPolarHBondContact O-CE2 3.26Å; Y1775-F1796 HydrophobicContact CE1-CE1 4.43Å; L1782-F1796 HydrophobicContact CD1-CB 4.03Å; I1787-F1796 HydrophobicContact CD1-CB 4.02Å; I1787-F1796 HydrophobicContact CD1-CD1 3.95Å; I1787-F1796 HydrophobicContact CD1-CD2 3.82Å; I1787-F1796 HydrophobicContact CD1-CE1 4.27Å; I1787-F1796 HydrophobicContact CD1-CE2 4.17Å; I1787-F1796 HydrophobicContact CD1-CG 3.68Å; I1787-F1796 HydrophobicContact CD1-CZ 4.35Å; I1787-F1796 HydrophobicContact CG2-CB 4.45Å; I1787-F1796 HydrophobicContact CG2-CD1 4.44Å; T1792-F1796 WeakPolarHBondContact O-CB 3.31Å; T1792-F1796 PolarHBondContact O-N 2.88Å; F1793-F1796 AromaticContact CD2-CD1 3.93Å; F1793-F1796 HydrophobicContact CD2-CD1 3.93Å; F1793-F1796 HydrophobicContact CD2-CE1 4.44Å; F1793-F1796 HydrophobicContact CE2-CD1 4.04Å; F1793-F1796 HydrophobicContact CE2-CE1 4.19Å; F1793-F1796 WeakPolarHBondContact O-CB 3.47Å; F1793-F1796 PolarHBondContact O-N 3.32Å; F1796-L1799 PolarHBondContact O-N 3.13Å; F1796-Y1800 WeakPolarHBondContact O-CB 3.48Å; F1796-Y1800 PolarHBondContact O-N 3.33Å
1797C87.3Confident85.4Confident49 Ų4952.1 Ų52.133%0.33126%0.263SS..Hα-helixtrans-60.9-46.1178.5-69.60000112.2F1793 K1794 M1795 Y1800 K1801F1793-C1797 WeakPolarHBondContact CZ-SG 3.41Å; F1793-C1797 PolarHBondContact O-N 3.33Å; F1793-C1797 PolarHBondContact O-SG 3.48Å; K1794-C1797 PolarHBondContact O-N 3.04Å; M1795-C1797 VanDerWaalsContact C-N 3.34Å; M1795-C1797 PolarHBondContact O-N 3.48Å; C1797-Y1800 PolarHBondContact O-N 2.87Å; C1797-K1801 WeakPolarHBondContact O-CB 3.35Å; C1797-K1801 PolarHBondContact O-N 3.16Å
1798S85.1Confident85.2Confident22 Ų2252.6 Ų52.615%0.15427%0.265CS..Hα-helixtrans-64.3-45.3178.2-170.80000111.6K1794 M1795 Y1800 K1801 N1802 D1829K1794-S1798 PolarHBondContact O-N 2.96Å; K1794-S1798 VanDerWaalsContact O-N 3.14Å; M1795-S1798 PolarHBondContact O-N 3.02Å; S1798-Y1800 PolarHBondContact O-N 3.46Å; S1798-K1801 PolarHBondContact O-N 2.84Å; S1798-N1802 WeakPolarHBondContact O-CB 3.21Å; S1798-N1802 PolarHBondContact O-N 2.87Å; S1798-N1802 PolarHBondContact O-ND2 3.06Å; S1798-N1802 VanDerWaalsContact O-ND2 3.1Å; S1798-N1802 PolarHBondContact OG-ND2 2.86Å; S1798-D1829 VanDerWaalsContact CB-OD1 3.31Å; S1798-D1829 WeakPolarHBondContact CB-OD1 3.03Å; S1798-D1829 PolarHBondContact OG-OD1 2.57Å
1799L86.4Confident84.8Confident48 Ų4849.7 Ų49.725%0.25125%0.25SC..Hα-helixtrans-61.6-44.7176.3-69.3175.9000112.7L1782 M1795 F1796 N1802 E1803L1782-L1799 HydrophobicContact CD2-CD1 3.57Å; L1782-L1799 HydrophobicContact CG-CD1 4.35Å; M1795-L1799 HydrophobicContact CG-CD1 4.24Å; M1795-L1799 WeakPolarHBondContact O-CG 3.4Å; M1795-L1799 PolarHBondContact O-N 3.31Å; F1796-L1799 PolarHBondContact O-N 3.13Å; L1799-N1802 PolarHBondContact O-N 3.13Å; L1799-E1803 WeakPolarHBondContact O-CB 3.48Å; L1799-E1803 PolarHBondContact O-N 2.97Å
1800Y88.6Confident84.3Confident21 Ų2154.5 Ų54.58%0.08226%0.263CS..Hα-helixtrans-66.8-40178.1-175.8-103.9000112.4K1774 W1777 F1796 C1797 S1798 N1802 Q1804 L1805 L1852K1774-Y1800 HydrophobicContact CD-CD1 4.15Å; K1774-Y1800 HydrophobicContact CD-CE1 3.89Å; K1774-Y1800 HydrophobicContact CD-CE2 4.5Å; K1774-Y1800 HydrophobicContact CG-CD1 4.26Å; K1774-Y1800 HydrophobicContact CG-CD2 3.96Å; K1774-Y1800 HydrophobicContact CG-CE1 4.05Å; K1774-Y1800 HydrophobicContact CG-CE2 3.75Å; K1774-Y1800 HydrophobicContact CG-CG 4.22Å; W1777-Y1800 AromaticContact CE3-CD2 3.92Å; W1777-Y1800 HydrophobicContact CE3-CD2 3.92Å; W1777-Y1800 AromaticContact CZ3-CD2 3.84Å; W1777-Y1800 HydrophobicContact CZ3-CD2 3.84Å; W1777-Y1800 HydrophobicContact CZ3-CG 4.4Å; F1796-Y1800 WeakPolarHBondContact O-CB 3.48Å; F1796-Y1800 PolarHBondContact O-N 3.33Å; C1797-Y1800 PolarHBondContact O-N 2.87Å; S1798-Y1800 PolarHBondContact O-N 3.46Å; Y1800-N1802 VanDerWaalsContact C-N 3.32Å; Y1800-N1802 PolarHBondContact O-N 3.39Å; Y1800-Q1804 HydrophobicContact CD2-CB 3.82Å; Y1800-Q1804 HydrophobicContact CD2-CG 3.8Å; Y1800-Q1804 HydrophobicContact CE2-CB 3.61Å; Y1800-Q1804 HydrophobicContact CE2-CG 3.78Å; Y1800-Q1804 PolarHBondContact O-N 3.43Å; Y1800-L1805 HydrophobicContact CE1-CB 4.42Å; Y1800-L1805 PolarHBondContact O-N 3.39Å; Y1800-L1852 HydrophobicContact CE2-CD2 4.27Å
1801K83.4Confident83.7Confident28 Ų2857.5 Ų57.512%0.12228%0.278CS..Iπ-helixtrans-56.5-46.4173.7-170.6-172.4-165.7-174.70110.7C1797 S1798 Y1806 G1828 D1831 F1833C1797-K1801 WeakPolarHBondContact O-CB 3.35Å; C1797-K1801 PolarHBondContact O-N 3.16Å; S1798-K1801 PolarHBondContact O-N 2.84Å; K1801-Y1806 WeakPolarHBondContact O-CB 3.17Å; K1801-Y1806 PolarHBondContact O-N 3.38Å; K1801-G1828 PolarHBondContact NZ-O 3.08Å; K1801-D1831 PolarHBondContact NZ-O 2.7Å; K1801-F1833 HydrophobicContact CG-CD2 4.26Å
1802N81.8Confident83.1Confident84 Ų8449.2 Ų49.245%0.44924%0.242SC..Iπ-helixtrans-82-47.1-172.2-63.8-21.1000113.5S1798 L1799 Y1800S1798-N1802 WeakPolarHBondContact O-CB 3.21Å; S1798-N1802 PolarHBondContact O-N 2.87Å; S1798-N1802 PolarHBondContact O-ND2 3.06Å; S1798-N1802 VanDerWaalsContact O-ND2 3.1Å; S1798-N1802 PolarHBondContact OG-ND2 2.86Å; L1799-N1802 PolarHBondContact O-N 3.13Å; Y1800-N1802 VanDerWaalsContact C-N 3.32Å; Y1800-N1802 PolarHBondContact O-N 3.39Å
1803E83Confident82.4Confident69 Ų6947.9 Ų47.932%0.32223%0.234SC..Iπ-helixtrans-79.8-47-174.5-62.4-169.7160.300112.3W1777 R1781 L1799 S1807W1777-E1803 HydrophobicContact CH2-CB 4.26Å; W1777-E1803 HydrophobicContact CZ2-CB 4.27Å; W1777-E1803 VanDerWaalsContact CZ2-OE2 3.28Å; W1777-E1803 WeakPolarHBondContact CZ2-OE2 3.38Å; R1781-E1803 IonicContact CZ-OE1 3.24Å; R1781-E1803 IonicContact CZ-OE2 2.67Å; R1781-E1803 IonicContact NE-OE1 2.68Å; R1781-E1803 PolarHBondContact NE-OE1 2.97Å; R1781-E1803 IonicContact NE-OE2 3.42Å; R1781-E1803 PolarHBondContact NE-OE2 2.93Å; R1781-E1803 IonicContact NH2-OE1 2.9Å; R1781-E1803 PolarHBondContact NH2-OE1 3.15Å; R1781-E1803 IonicContact NH2-OE2 2.8Å; L1799-E1803 WeakPolarHBondContact O-CB 3.48Å; L1799-E1803 PolarHBondContact O-N 2.97Å; E1803-S1807 PolarHBondContact O-OG 3Å
1804Q82.9Confident81.7Confident30 Ų3051.7 Ų51.714%0.1425%0.254CS..Iπ-helixtrans-95.7-57.9-173.3-61.6-64.1-27.500111.9W1777 Y1800 L1808W1777-Q1804 HydrophobicContact CH2-CG 4.11Å; W1777-Q1804 HydrophobicContact CZ2-CG 3.82Å; Y1800-Q1804 HydrophobicContact CD2-CB 3.82Å; Y1800-Q1804 HydrophobicContact CD2-CG 3.8Å; Y1800-Q1804 HydrophobicContact CE2-CB 3.61Å; Y1800-Q1804 HydrophobicContact CE2-CG 3.78Å; Y1800-Q1804 PolarHBondContact O-N 3.43Å; Q1804-L1808 WeakPolarHBondContact O-CB 3.3Å; Q1804-L1808 PolarHBondContact O-N 3.14Å
1805L81.3Confident80.9Confident23 Ų2351.7 Ų51.712%0.1226%0.256CS..Iπ-helixtrans-75.6-40.5-162.7-170.258.9000113.8Y1800 L1808 I1809 F1833 Q1848Y1800-L1805 HydrophobicContact CE1-CB 4.42Å; Y1800-L1805 PolarHBondContact O-N 3.39Å; L1805-L1808 WeakPolarHBondContact O-CB 3.43Å; L1805-L1808 PolarHBondContact O-N 3.44Å; L1805-I1809 HydrophobicContact CD1-CD1 4.42Å; L1805-I1809 HydrophobicContact CD1-CG1 4.34Å; L1805-I1809 PolarHBondContact O-N 3.02Å; L1805-F1833 HydrophobicContact CD1-CE1 4.31Å; L1805-F1833 HydrophobicContact CD2-CD1 3.76Å; L1805-F1833 HydrophobicContact CD2-CE1 3.34Å; L1805-F1833 HydrophobicContact CD2-CZ 3.9Å; L1805-F1833 HydrophobicContact CG-CD1 4.45Å; L1805-F1833 HydrophobicContact CG-CE1 3.56Å; L1805-F1833 HydrophobicContact CG-CZ 3.73Å; L1805-Q1848 HydrophobicContact CD1-CG 4.31Å
1806Y79.7Confident80.2Confident94 Ų9450.5 Ų50.537%0.36925%0.248SC..Hα-helixtrans-62.6-48.1177.9179-106.2000111.9K1801 L1808 I1809 R1810K1801-Y1806 WeakPolarHBondContact O-CB 3.17Å; K1801-Y1806 PolarHBondContact O-N 3.38Å; Y1806-L1808 VanDerWaalsContact C-N 3.26Å; Y1806-L1808 PolarHBondContact O-N 2.88Å; Y1806-I1809 PolarHBondContact O-N 2.76Å; Y1806-R1810 WeakPolarHBondContact O-CB 3.14Å; Y1806-R1810 PolarHBondContact O-N 3.24Å
1807S77.3Confident79.2Confident57 Ų5757.1 Ų57.140%0.39928%0.284SS..Hα-helixtrans-55.1-42.5174.2-55.40000111.8E1803 N1811E1803-S1807 PolarHBondContact O-OG 3Å; S1807-N1811 PolarHBondContact O-N 3.03Å
1808L79.4Confident78.1Confident14 Ų1456.9 Ų56.97%0.07328%0.278CS..Hα-helixtrans-65.2-51.2178.9-159.690.8000112.8Q1804 L1805 Y1806 N1811 L1812 V1844 R1847 Q1848 K1851Q1804-L1808 WeakPolarHBondContact O-CB 3.3Å; Q1804-L1808 PolarHBondContact O-N 3.14Å; L1805-L1808 WeakPolarHBondContact O-CB 3.43Å; L1805-L1808 PolarHBondContact O-N 3.44Å; Y1806-L1808 VanDerWaalsContact C-N 3.26Å; Y1806-L1808 PolarHBondContact O-N 2.88Å; L1808-N1811 PolarHBondContact O-N 3.42Å; L1808-L1812 HydrophobicContact CD2-CD1 4.35Å; L1808-L1812 HydrophobicContact CG-CD1 4.38Å; L1808-L1812 PolarHBondContact O-N 3.48Å; L1808-V1844 HydrophobicContact CD2-CG1 4.19Å; L1808-R1847 HydrophobicContact CD1-CB 3.87Å; L1808-R1847 WeakPolarHBondContact CD1-O 3.46Å; L1808-R1847 HydrophobicContact CD2-CB 4.05Å; L1808-R1847 HydrophobicContact CG-CB 4.12Å; L1808-Q1848 HydrophobicContact CD2-CB 4.34Å; L1808-Q1848 HydrophobicContact CD2-CG 3.56Å; L1808-K1851 HydrophobicContact CD1-CB 4.23Å; L1808-K1851 HydrophobicContact CD1-CG 3.67Å
1809I77.7Confident76.8Confident12 Ų1259.4 Ų59.46%0.06229%0.294CS..Hα-helixtrans-70.1-33.8-177-66.1-157.2000111.1L1805 Y1806 N1811 L1812 S1813 F1833 P1836 V1844L1805-I1809 HydrophobicContact CD1-CD1 4.42Å; L1805-I1809 HydrophobicContact CD1-CG1 4.34Å; L1805-I1809 PolarHBondContact O-N 3.02Å; Y1806-I1809 PolarHBondContact O-N 2.76Å; I1809-N1811 VanDerWaalsContact C-N 3.31Å; I1809-N1811 PolarHBondContact O-N 3.14Å; I1809-L1812 PolarHBondContact O-N 3.49Å; I1809-S1813 WeakPolarHBondContact O-CB 3.37Å; I1809-S1813 PolarHBondContact O-N 3.46Å; I1809-S1813 PolarHBondContact O-OG 2.85Å; I1809-F1833 HydrophobicContact CD1-CE1 3.53Å; I1809-F1833 HydrophobicContact CD1-CZ 3.74Å; I1809-F1833 HydrophobicContact CG1-CE1 4.46Å; I1809-F1833 HydrophobicContact CG1-CZ 4.29Å; I1809-P1836 HydrophobicContact CG2-CG 3.86Å; I1809-V1844 HydrophobicContact CD1-CG1 4.42Å
1810R76.6Confident75.5Confident141 Ų14164 Ų6453%0.53232%0.318SS..Hα-helixtrans-59.2-41.5170.5-176.1-178.6178.7-159.7-0.8112.2Y1806 S1813 L1814 Y1822Y1806-R1810 WeakPolarHBondContact O-CB 3.14Å; Y1806-R1810 PolarHBondContact O-N 3.24Å; R1810-S1813 PolarHBondContact O-OG 2.98Å; R1810-L1814 WeakPolarHBondContact O-CD1 3.47Å; R1810-L1814 WeakPolarHBondContact O-CG 3.48Å; R1810-L1814 PolarHBondContact O-N 3.01Å; R1810-Y1822 HydrophobicContact CG-CE1 4.48Å
1811N76.1Confident73.8Confident75 Ų7565.9 Ų65.940%0.40133%0.33SS..Hα-helixtrans-71.5-31.4177-73.1-9.4000112.5S1807 L1808 I1809 Q1815S1807-N1811 PolarHBondContact O-N 3.03Å; L1808-N1811 PolarHBondContact O-N 3.42Å; I1809-N1811 VanDerWaalsContact C-N 3.31Å; I1809-N1811 PolarHBondContact O-N 3.14Å; N1811-Q1815 WeakPolarHBondContact O-CG 3.38Å; N1811-Q1815 PolarHBondContact O-N 3.42Å
1812L75.3Confident72.3Confident4 Ų469.2 Ų69.22%0.02134%0.342CS..Hα-helixtrans-76.3-41.4175.2-77.8167000112.7L1808 I1809 L1814 Q1815 F1816 I1839 I1843 V1844 R1847L1808-L1812 HydrophobicContact CD2-CD1 4.35Å; L1808-L1812 HydrophobicContact CG-CD1 4.38Å; L1808-L1812 PolarHBondContact O-N 3.48Å; I1809-L1812 PolarHBondContact O-N 3.49Å; L1812-L1814 PolarHBondContact O-N 3.17Å; L1812-Q1815 WeakPolarHBondContact O-CA 3.11Å; L1812-Q1815 PolarHBondContact O-N 3.49Å; L1812-F1816 HydrophobicContact CD2-CD2 4.39Å; L1812-F1816 HydrophobicContact CD2-CE2 4.07Å; L1812-F1816 WeakPolarHBondContact O-CD2 3.33Å; L1812-F1816 PolarHBondContact O-N 2.67Å; L1812-I1839 HydrophobicContact CB-CD1 4.14Å; L1812-I1843 HydrophobicContact CD2-CG2 4.07Å; L1812-V1844 HydrophobicContact CD1-CB 4.48Å; L1812-V1844 HydrophobicContact CD1-CG2 4.18Å; L1812-R1847 HydrophobicContact CD1-CB 4.36Å; L1812-R1847 HydrophobicContact CD1-CG 4.37Å; L1812-R1847 HydrophobicContact CD2-CG 4.25Å
1813S74.4Confident70.8Confident2 Ų271.3 Ų71.31%0.01436%0.358CS..Hα-helixtrans-64-31.617669.10000112.1I1809 R1810 N1817 Q1818I1809-S1813 WeakPolarHBondContact O-CB 3.37Å; I1809-S1813 PolarHBondContact O-N 3.46Å; I1809-S1813 PolarHBondContact O-OG 2.85Å; R1810-S1813 PolarHBondContact O-OG 2.98Å; S1813-N1817 PolarHBondContact O-N 3.21Å; S1813-N1817 VanDerWaalsContact O-N 3.15Å; S1813-Q1818 PolarHBondContact O-N 3.35Å
1814L73.5Confident69.2Low93 Ų9372 Ų7249%0.48736%0.363SS..Hα-helixtrans-63.2-41.4167.1-79.4167.2000112.7R1810 L1812 Y1822R1810-L1814 WeakPolarHBondContact O-CD1 3.47Å; R1810-L1814 WeakPolarHBondContact O-CG 3.48Å; R1810-L1814 PolarHBondContact O-N 3.01Å; L1812-L1814 PolarHBondContact O-N 3.17Å; L1814-Y1822 WeakPolarHBondContact CD2-OH 3.37Å; L1814-Y1822 HydrophobicContact CG-CE1 4.43Å; L1814-Y1822 VanDerWaalsContact CG-OH 3.29Å; L1814-Y1822 WeakPolarHBondContact CG-OH 3.34Å; L1814-Y1822 PolarHBondContact N-OH 3.28Å
1815Q71.1Confident67.7Low109 Ų10974.7 Ų74.751%0.50939%0.391SS..Hα-helixtrans-73.1-34.3179.5-73.4174.22400112.9N1811 L1812N1811-Q1815 WeakPolarHBondContact O-CG 3.38Å; N1811-Q1815 PolarHBondContact O-N 3.42Å; L1812-Q1815 WeakPolarHBondContact O-CA 3.11Å; L1812-Q1815 PolarHBondContact O-N 3.49Å
1816F73.3Confident66.3Low83 Ų8379 Ų7936%0.36442%0.422SS..THydrogen-bonded Turntrans-94.713.8179.5-75.5-89.8000113.7L1812 Q1818 I1839 I1843L1812-F1816 HydrophobicContact CD2-CD2 4.39Å; L1812-F1816 HydrophobicContact CD2-CE2 4.07Å; L1812-F1816 WeakPolarHBondContact O-CD2 3.33Å; L1812-F1816 PolarHBondContact O-N 2.67Å; F1816-Q1818 VanDerWaalsContact C-N 3.35Å; F1816-Q1818 PolarHBondContact O-N 3.12Å; F1816-I1839 HydrophobicContact CB-CD1 4.34Å; F1816-I1839 HydrophobicContact CB-CG1 4.16Å; F1816-I1839 HydrophobicContact CD2-CD1 4.33Å; F1816-I1839 HydrophobicContact CD2-CG1 4.16Å; F1816-I1839 HydrophobicContact CD2-CG2 4.24Å; F1816-I1839 HydrophobicContact CE2-CG2 4.17Å; F1816-I1839 HydrophobicContact CG-CG1 4.08Å; F1816-I1843 HydrophobicContact CZ-CD1 3.95Å
1817N68.5Low64.9Low142 Ų14276.5 Ų76.576%0.75942%0.415SS*.THydrogen-bonded Turntrans51.342.5176.4-67.9-32.5000114.9S1813 P1819S1813-N1817 PolarHBondContact O-N 3.21Å; S1813-N1817 VanDerWaalsContact O-N 3.15Å; N1817-P1819 VanDerWaalsContact O-CD 3.24Å; N1817-P1819 WeakPolarHBondContact O-CD 3.41Å
1818Q65.6Low63.8Low43 Ų4375.1 Ų75.120%0.20141%0.41CS..  trans-10792.4174.4-66.5-155.2-52.600111.3S1813 F1816 N1838S1813-Q1818 PolarHBondContact O-N 3.35Å; F1816-Q1818 VanDerWaalsContact C-N 3.35Å; F1816-Q1818 PolarHBondContact O-N 3.12Å; Q1818-N1838 VanDerWaalsContact NE2-CG 3.27Å; Q1818-N1838 PolarHBondContact NE2-ND2 3.24Å
1819P57.5Low62.5Low75 Ų7580.7 Ų80.749%0.48744%0.44SS..G310 helixtrans-79.7-20.6-174.632.1-36.6000114.9N1817 I1821 Y1822N1817-P1819 VanDerWaalsContact O-CD 3.24Å; N1817-P1819 WeakPolarHBondContact O-CD 3.41Å; P1819-I1821 PolarHBondContact O-N 2.81Å; P1819-Y1822 VanDerWaalsContact CA-CE2 3.49Å; P1819-Y1822 HydrophobicContact CB-CD2 4.24Å; P1819-Y1822 HydrophobicContact CB-CE2 3.95Å; P1819-Y1822 WeakPolarHBondContact O-CD2 3.29Å; P1819-Y1822 PolarHBondContact O-N 3.31Å
1820D58.1Low61.1Low144 Ų14486.2 Ų86.277%0.7747%0.474SS*.G310 helixtrans-66-8.8-168-56.2-34.5000114.5
1821I54.3Low60Low62 Ų6282.9 Ų82.932%0.31847%0.467SS..G310 helixtrans-89.1-15.1-176.7-53.6-178.9000112P1819 T1823 L1824 P1836P1819-I1821 PolarHBondContact O-N 2.81Å; I1821-T1823 PolarHBondContact O-N 3Å; I1821-T1823 VanDerWaalsContact O-N 3.12Å; I1821-L1824 WeakPolarHBondContact O-CB 3.49Å; I1821-L1824 PolarHBondContact O-N 3.45Å; I1821-P1836 HydrophobicContact CD1-CB 3.82Å; I1821-P1836 HydrophobicContact CD1-CG 3.63Å
1822Y50.4Low58.9Low97 Ų9786.6 Ų86.638%0.3849%0.486SS..THydrogen-bonded Turntrans-69-11.1-173.4-59.9-44.3000115.8R1810 L1814 P1819 L1824R1810-Y1822 HydrophobicContact CG-CE1 4.48Å; L1814-Y1822 WeakPolarHBondContact CD2-OH 3.37Å; L1814-Y1822 HydrophobicContact CG-CE1 4.43Å; L1814-Y1822 VanDerWaalsContact CG-OH 3.29Å; L1814-Y1822 WeakPolarHBondContact CG-OH 3.34Å; L1814-Y1822 PolarHBondContact N-OH 3.28Å; P1819-Y1822 VanDerWaalsContact CA-CE2 3.49Å; P1819-Y1822 HydrophobicContact CB-CD2 4.24Å; P1819-Y1822 HydrophobicContact CB-CE2 3.95Å; P1819-Y1822 WeakPolarHBondContact O-CD2 3.29Å; P1819-Y1822 PolarHBondContact O-N 3.31Å; Y1822-L1824 VanDerWaalsContact C-N 3.25Å; Y1822-L1824 PolarHBondContact O-N 3.37Å
1823T52.1Low57.9Low128 Ų12889.6 Ų89.679%0.78550%0.499SS*.THydrogen-bonded Turntrans-77.3-8.9177.350.40000113.6I1821 A1825I1821-T1823 PolarHBondContact O-N 3Å; I1821-T1823 VanDerWaalsContact O-N 3.12Å; T1823-A1825 PolarHBondContact O-N 3.27Å
1824L48.5Very low57.2Low84 Ų8494.7 Ų94.744%0.4453%0.529SS..  trans-79.136-171.9-152.465.2000114.5I1821 Y1822 S1826 L1827I1821-L1824 WeakPolarHBondContact O-CB 3.49Å; I1821-L1824 PolarHBondContact O-N 3.45Å; Y1822-L1824 VanDerWaalsContact C-N 3.25Å; Y1822-L1824 PolarHBondContact O-N 3.37Å; L1824-S1826 PolarHBondContact O-N 3.06Å; L1824-S1826 VanDerWaalsContact O-N 3.12Å; L1824-L1827 HydrophobicContact CD1-CD1 4.14Å; L1824-L1827 HydrophobicContact CD2-CD1 3.87Å; L1824-L1827 HydrophobicContact CG-CD1 3.89Å
1825A51.7Low56.8Low86 Ų8692.7 Ų92.771%0.71152%0.519SS*.THydrogen-bonded Turntrans-74.43.4-171.300000115.4T1823T1823-A1825 PolarHBondContact O-N 3.27Å
1826S51.3Low56.6Low113 Ų11388.2 Ų88.279%0.7950%0.499SS*.THydrogen-bonded Turntrans-140.345.1179.357.10000112.2L1824 G1828L1824-S1826 PolarHBondContact O-N 3.06Å; L1824-S1826 VanDerWaalsContact O-N 3.12Å; S1826-G1828 PolarHBondContact O-N 3.48Å
1827L50.7Low56.2Low42 Ų4294 Ų9422%0.2252%0.524CS..  trans-63.8117.5175.5-165.372.6000110.5L1824 D1831 F1833L1824-L1827 HydrophobicContact CD1-CD1 4.14Å; L1824-L1827 HydrophobicContact CD2-CD1 3.87Å; L1824-L1827 HydrophobicContact CG-CD1 3.89Å; L1827-D1831 HydrophobicContact CD1-CB 3.29Å; L1827-D1831 HydrophobicContact CG-CB 3.88Å; L1827-F1833 HydrophobicContact CD2-CD2 4Å; L1827-F1833 HydrophobicContact CD2-CE2 4.42Å
1828G53Low56.3Low28 Ų2892.4 Ų92.429%0.28952%0.515SS..  trans-74.5164.9176.700000113K1801 S1826 T1830 D1831K1801-G1828 PolarHBondContact NZ-O 3.08Å; S1826-G1828 PolarHBondContact O-N 3.48Å; G1828-T1830 PolarHBondContact O-N 3.35Å; G1828-T1830 VanDerWaalsContact O-N 3.15Å; G1828-D1831 PolarHBondContact N-OD2 3.18Å; G1828-D1831 PolarHBondContact O-N 3.35Å
1829D53.6Low56.7Low131 Ų13190.7 Ų90.770%0.70151%0.508SS*.THydrogen-bonded Turntrans-57.2-26.2170.8-72.9-54.7000112.2S1798S1798-D1829 VanDerWaalsContact CB-OD1 3.31Å; S1798-D1829 WeakPolarHBondContact CB-OD1 3.03Å; S1798-D1829 PolarHBondContact OG-OD1 2.57Å
1830T48.6Very low57.6Low128 Ų12888.4 Ų88.479%0.78549%0.493SS*.THydrogen-bonded Turntrans-86.7-12.2-178.8440000115.2G1828G1828-T1830 PolarHBondContact O-N 3.35Å; G1828-T1830 VanDerWaalsContact O-N 3.15Å
1831D51.7Low58.8Low72 Ų7283.5 Ų83.539%0.38547%0.465SS..SBendtrans-80.8126-173.1-67-36.6000112.4K1801 L1827 G1828 F1833K1801-D1831 PolarHBondContact NZ-O 2.7Å; L1827-D1831 HydrophobicContact CD1-CB 3.29Å; L1827-D1831 HydrophobicContact CG-CB 3.88Å; G1828-D1831 PolarHBondContact N-OD2 3.18Å; G1828-D1831 PolarHBondContact O-N 3.35Å; D1831-F1833 PolarHBondContact O-N 3.15Å
1832I54.3Low60Low153 Ų15380.9 Ų80.979%0.78545%0.452SS*.  trans-66.1122.3-176.2-57.8176.2000110.2V1834I1832-V1834 HydrophobicContact CG2-CG2 4.1Å; I1832-V1834 PolarHBondContact O-N 2.84Å
1833F54Low61.5Low66 Ų6676.6 Ų76.629%0.28944%0.436SS..  trans-91.996.4-175.1-165.4-92.4000111K1801 L1805 I1809 L1827 D1831K1801-F1833 HydrophobicContact CG-CD2 4.26Å; L1805-F1833 HydrophobicContact CD1-CE1 4.31Å; L1805-F1833 HydrophobicContact CD2-CD1 3.76Å; L1805-F1833 HydrophobicContact CD2-CE1 3.34Å; L1805-F1833 HydrophobicContact CD2-CZ 3.9Å; L1805-F1833 HydrophobicContact CG-CD1 4.45Å; L1805-F1833 HydrophobicContact CG-CE1 3.56Å; L1805-F1833 HydrophobicContact CG-CZ 3.73Å; I1809-F1833 HydrophobicContact CD1-CE1 3.53Å; I1809-F1833 HydrophobicContact CD1-CZ 3.74Å; I1809-F1833 HydrophobicContact CG1-CE1 4.46Å; I1809-F1833 HydrophobicContact CG1-CZ 4.29Å; L1827-F1833 HydrophobicContact CD2-CD2 4Å; L1827-F1833 HydrophobicContact CD2-CE2 4.42Å; D1831-F1833 PolarHBondContact O-N 3.15Å
1834V58.6Low62.9Low109 Ų10970.6 Ų70.666%0.66140%0.398SS*.PPolyproline II helixtrans-94.3131.9179.5-1730000109.9I1832I1832-V1834 HydrophobicContact CG2-CG2 4.1Å; I1832-V1834 PolarHBondContact O-N 2.84Å
1835I66.8Low64.6Low51 Ų5168.3 Ų68.326%0.26238%0.384SS..PPolyproline II helixtrans-63.8136.1174-59.9177.6000109K1837 E1841 V1844I1835-K1837 PolarHBondContact O-N 2.81Å; I1835-E1841 HydrophobicContact CD1-CB 4.35Å; I1835-E1841 HydrophobicContact CD1-CG 4.1Å; I1835-V1844 HydrophobicContact CG2-CG2 4.05Å
1836P65.6Low66Low15 Ų1565 Ų6510%0.09735%0.354CS..PPolyproline II helixtrans-59.4127.5179.3-24.234.9000111.6I1809 I1821 N1838 I1839I1809-P1836 HydrophobicContact CG2-CG 3.86Å; I1821-P1836 HydrophobicContact CD1-CB 3.82Å; I1821-P1836 HydrophobicContact CD1-CG 3.63Å; P1836-N1838 PolarHBondContact O-N 3.37Å; P1836-I1839 HydrophobicContact CB-CD1 3.89Å; P1836-I1839 HydrophobicContact CB-CG1 4.13Å; P1836-I1839 HydrophobicContact CG-CD1 4.01Å; P1836-I1839 PolarHBondContact O-N 3.13Å
1837K65.9Low67.4Low204 Ų20462.4 Ų62.489%0.88733%0.327SS*.THydrogen-bonded Turntrans-55.8-18.3-167.7-69.3-171.6174.4-1730116.2I1835I1835-K1837 PolarHBondContact O-N 2.81Å
1838N69.2Low69Low109 Ų10960.9 Ų60.958%0.58332%0.319SS*.THydrogen-bonded Turntrans-102.94.7-176.9-61.734.6000112.9Q1818 P1836Q1818-N1838 VanDerWaalsContact NE2-CG 3.27Å; Q1818-N1838 PolarHBondContact NE2-ND2 3.24Å; P1836-N1838 PolarHBondContact O-N 3.37Å
1839I75.5Confident70.5Confident8 Ų859.7 Ų59.74%0.04131%0.305CS..SBendtrans-113.5108.7-177.9-52-179000108.9L1812 F1816 P1836 E1841 V1844L1812-I1839 HydrophobicContact CB-CD1 4.14Å; F1816-I1839 HydrophobicContact CB-CD1 4.34Å; F1816-I1839 HydrophobicContact CB-CG1 4.16Å; F1816-I1839 HydrophobicContact CD2-CD1 4.33Å; F1816-I1839 HydrophobicContact CD2-CG1 4.16Å; F1816-I1839 HydrophobicContact CD2-CG2 4.24Å; F1816-I1839 HydrophobicContact CE2-CG2 4.17Å; F1816-I1839 HydrophobicContact CG-CG1 4.08Å; P1836-I1839 HydrophobicContact CB-CD1 3.89Å; P1836-I1839 HydrophobicContact CB-CG1 4.13Å; P1836-I1839 HydrophobicContact CG-CD1 4.01Å; P1836-I1839 PolarHBondContact O-N 3.13Å; I1839-E1841 PolarHBondContact O-N 2.98Å; I1839-V1844 HydrophobicContact CG2-CG2 3.73Å
1840P76.7Confident71.8Confident26 Ų2654.5 Ų54.517%0.16928%0.278CS..  trans-49128.7176.8-33.638.5000113.7T1679 L1682 I1842 I1843 V1844T1679-P1840 HydrophobicContact CG2-CB 3.87Å; T1679-P1840 HydrophobicContact CG2-CG 3.8Å; L1682-P1840 HydrophobicContact CD1-CB 4.12Å; L1682-P1840 HydrophobicContact CD1-CG 4.18Å; P1840-I1842 HydrophobicContact CB-CG2 4.05Å; P1840-I1842 PolarHBondContact O-N 3.41Å; P1840-I1843 HydrophobicContact CB-CB 4.5Å; P1840-I1843 HydrophobicContact CB-CD1 4.08Å; P1840-I1843 HydrophobicContact CB-CG1 4.1Å; P1840-I1843 HydrophobicContact CG-CD1 4.03Å; P1840-I1843 PolarHBondContact O-N 3.1Å; P1840-V1844 PolarHBondContact O-N 3.25Å
1841E81.4Confident73.5Confident42 Ų4250.6 Ų50.620%0.19625%0.25CC..Hα-helixtrans-56.4-39.1179.7176.3172.1154.900111.1Y1763 I1835 I1839 I1843 V1844 R1845Y1763-E1841 HydrophobicContact CE2-CG 4.27Å; Y1763-E1841 PolarHBondContact OH-OE1 3.43Å; I1835-E1841 HydrophobicContact CD1-CB 4.35Å; I1835-E1841 HydrophobicContact CD1-CG 4.1Å; I1839-E1841 PolarHBondContact O-N 2.98Å; E1841-I1843 PolarHBondContact O-N 3.41Å; E1841-V1844 CarbonylContact O-C 3.58Å; E1841-V1844 WeakPolarHBondContact O-CA 3.49Å; E1841-V1844 WeakPolarHBondContact O-CB 3.43Å; E1841-V1844 PolarHBondContact O-N 3.38Å; E1841-R1845 HydrophobicContact CG-CG 3.81Å; E1841-R1845 WeakPolarHBondContact O-CG 3.48Å; E1841-R1845 PolarHBondContact O-N 2.8Å; E1841-R1845 IonicContact OE1-CZ 2.65Å; E1841-R1845 VanDerWaalsContact OE1-CZ 3.24Å; E1841-R1845 IonicContact OE1-NE 3.6Å; E1841-R1845 PolarHBondContact OE1-NE 3.46Å; E1841-R1845 IonicContact OE1-NH2 3.68Å; E1841-R1845 PolarHBondContact OE1-NH2 3.02Å
1842I81.4Confident75.1Confident6 Ų647.1 Ų47.13%0.03123%0.231CC..Hα-helixtrans-55.4-37.5178.6-167.5168.6000112.9L1682 A1685 L1759 Y1763 L1766 P1840 Q1846L1682-I1842 HydrophobicContact CD1-CG2 3.88Å; A1685-I1842 HydrophobicContact CB-CD1 3.9Å; L1759-I1842 HydrophobicContact CD1-CD1 3.85Å; Y1763-I1842 HydrophobicContact CD2-CB 4.45Å; Y1763-I1842 HydrophobicContact CD2-CG1 4.42Å; L1766-I1842 HydrophobicContact CD2-CG1 4.05Å; P1840-I1842 HydrophobicContact CB-CG2 4.05Å; P1840-I1842 PolarHBondContact O-N 3.41Å; I1842-Q1846 WeakPolarHBondContact O-CB 3.43Å; I1842-Q1846 PolarHBondContact O-N 3.25Å
1843I80.4Confident76.4Confident8 Ų840.1 Ų40.14%0.04120%0.195CC..Hα-helixtrans-71.1-43175.3-62176.9000110.5L1682 L1812 F1816 P1840 E1841 R1845 Q1846 R1847L1682-I1843 HydrophobicContact CD1-CD1 4Å; L1682-I1843 HydrophobicContact CD1-CG1 4.13Å; L1812-I1843 HydrophobicContact CD2-CG2 4.07Å; F1816-I1843 HydrophobicContact CZ-CD1 3.95Å; P1840-I1843 HydrophobicContact CB-CB 4.5Å; P1840-I1843 HydrophobicContact CB-CD1 4.08Å; P1840-I1843 HydrophobicContact CB-CG1 4.1Å; P1840-I1843 HydrophobicContact CG-CD1 4.03Å; P1840-I1843 PolarHBondContact O-N 3.1Å; E1841-I1843 PolarHBondContact O-N 3.41Å; I1843-R1845 VanDerWaalsContact C-N 3.31Å; I1843-R1845 PolarHBondContact O-N 3.24Å; I1843-Q1846 PolarHBondContact O-N 3.43Å; I1843-R1847 HydrophobicContact CG2-CG 4.45Å; I1843-R1847 WeakPolarHBondContact O-CG 3.4Å; I1843-R1847 PolarHBondContact O-N 2.87Å
1844V82.2Confident77.6Confident1 Ų138.7 Ų38.71%0.00619%0.189CC..Hα-helixtrans-57.9-46.7175.4-175.30000110.1L1808 I1809 L1812 I1835 I1839 P1840 E1841 R1847 Q1848L1808-V1844 HydrophobicContact CD2-CG1 4.19Å; I1809-V1844 HydrophobicContact CD1-CG1 4.42Å; L1812-V1844 HydrophobicContact CD1-CB 4.48Å; L1812-V1844 HydrophobicContact CD1-CG2 4.18Å; I1835-V1844 HydrophobicContact CG2-CG2 4.05Å; I1839-V1844 HydrophobicContact CG2-CG2 3.73Å; P1840-V1844 PolarHBondContact O-N 3.25Å; E1841-V1844 CarbonylContact O-C 3.58Å; E1841-V1844 WeakPolarHBondContact O-CA 3.49Å; E1841-V1844 WeakPolarHBondContact O-CB 3.43Å; E1841-V1844 PolarHBondContact O-N 3.38Å; V1844-R1847 PolarHBondContact O-N 2.72Å; V1844-Q1848 WeakPolarHBondContact O-CG 3.49Å; V1844-Q1848 PolarHBondContact O-N 3.5Å
1845R85.3Confident78.8Confident36 Ų3634.1 Ų34.114%0.13616%0.164CC..Hα-helixtrans-61.4-48.8176.3-67.6-45.9-178.3163.34.4112.1Y1763 L1766 I1770 E1771 E1841 I1843 R1847 Q1848 L1849Y1763-R1845 HydrophobicContact CE2-CG 4Å; L1766-R1845 HydrophobicContact CD2-CB 3.96Å; L1766-R1845 HydrophobicContact CG-CB 4.18Å; I1770-R1845 VanDerWaalsContact CD1-C 3.49Å; I1770-R1845 HydrophobicContact CD1-CB 3.44Å; I1770-R1845 VanDerWaalsContact CD1-CB 3.44Å; I1770-R1845 HydrophobicContact CD1-CG 4.15Å; I1770-R1845 WeakPolarHBondContact CD1-O 3.36Å; E1771-R1845 IonicContact OE1-NH1 2.7Å; E1841-R1845 HydrophobicContact CG-CG 3.81Å; E1841-R1845 WeakPolarHBondContact O-CG 3.48Å; E1841-R1845 PolarHBondContact O-N 2.8Å; E1841-R1845 IonicContact OE1-CZ 2.65Å; E1841-R1845 VanDerWaalsContact OE1-CZ 3.24Å; E1841-R1845 IonicContact OE1-NE 3.6Å; E1841-R1845 PolarHBondContact OE1-NE 3.46Å; E1841-R1845 IonicContact OE1-NH2 3.68Å; E1841-R1845 PolarHBondContact OE1-NH2 3.02Å; I1843-R1845 VanDerWaalsContact C-N 3.31Å; I1843-R1845 PolarHBondContact O-N 3.24Å; R1845-R1847 PolarHBondContact O-N 3.37Å; R1845-Q1848 VanDerWaalsContact NH1-OE1 3.15Å; R1845-Q1848 WeakPolarHBondContact O-CB 3.13Å; R1845-Q1848 PolarHBondContact O-N 3.45Å; R1845-Q1848 VanDerWaalsContact O-N 3.1Å; R1845-L1849 PolarHBondContact O-N 2.97Å
1846Q79.1Confident79.3Confident17 Ų1731.8 Ų31.88%0.07915%0.151CC..Hα-helixtrans-57.9-37.3177.1-177.9176.3-0.600112.7E1684 A1687 L1766 I1842 I1843 L1850E1684-Q1846 PolarHBondContact O-NE2 3.19Å; E1684-Q1846 PolarHBondContact O-OE1 2.96Å; A1687-Q1846 HydrophobicContact CB-CG 3.96Å; L1766-Q1846 HydrophobicContact CD2-CB 4.27Å; I1842-Q1846 WeakPolarHBondContact O-CB 3.43Å; I1842-Q1846 PolarHBondContact O-N 3.25Å; I1843-Q1846 PolarHBondContact O-N 3.43Å; Q1846-L1850 PolarHBondContact O-N 2.7Å
1847R81.3Confident80Confident58 Ų5831.9 Ų31.922%0.21915%0.151CC..Hα-helixtrans-75.2-36.1175-64.2-69.8-162.6-170.62.1112.4L1808 L1812 I1843 V1844 R1845 L1849 L1850 K1851L1808-R1847 HydrophobicContact CD1-CB 3.87Å; L1808-R1847 WeakPolarHBondContact CD1-O 3.46Å; L1808-R1847 HydrophobicContact CD2-CB 4.05Å; L1808-R1847 HydrophobicContact CG-CB 4.12Å; L1812-R1847 HydrophobicContact CD1-CB 4.36Å; L1812-R1847 HydrophobicContact CD1-CG 4.37Å; L1812-R1847 HydrophobicContact CD2-CG 4.25Å; I1843-R1847 HydrophobicContact CG2-CG 4.45Å; I1843-R1847 WeakPolarHBondContact O-CG 3.4Å; I1843-R1847 PolarHBondContact O-N 2.87Å; V1844-R1847 PolarHBondContact O-N 2.72Å; R1845-R1847 PolarHBondContact O-N 3.37Å; R1847-L1849 VanDerWaalsContact C-N 3.32Å; R1847-L1849 PolarHBondContact O-N 2.85Å; R1847-L1850 PolarHBondContact O-N 3.1Å; R1847-K1851 PolarHBondContact O-N 2.96Å; R1847-K1851 VanDerWaalsContact O-N 3.11Å
1848Q85.4Confident80.8Confident11 Ų1124.3 Ų24.35%0.05112%0.12CC..Hα-helixtrans-57.1-45.5170.5-74.3171.30.400111I1770 L1805 L1808 V1844 R1845 L1850 K1851 L1852I1770-Q1848 HydrophobicContact CG2-CB 4.25Å; L1805-Q1848 HydrophobicContact CD1-CG 4.31Å; L1808-Q1848 HydrophobicContact CD2-CB 4.34Å; L1808-Q1848 HydrophobicContact CD2-CG 3.56Å; V1844-Q1848 WeakPolarHBondContact O-CG 3.49Å; V1844-Q1848 PolarHBondContact O-N 3.5Å; R1845-Q1848 VanDerWaalsContact NH1-OE1 3.15Å; R1845-Q1848 WeakPolarHBondContact O-CB 3.13Å; R1845-Q1848 PolarHBondContact O-N 3.45Å; R1845-Q1848 VanDerWaalsContact O-N 3.1Å; Q1848-L1850 PolarHBondContact O-N 2.92Å; Q1848-K1851 PolarHBondContact O-N 3.43Å; Q1848-L1852 WeakPolarHBondContact O-CG 3.42Å; Q1848-L1852 PolarHBondContact O-N 2.92Å
1849L84.3Confident81.2Confident2 Ų222.5 Ų22.51%0.0111%0.107CC..Hα-helixtrans-57.6-49.3178.1177.662.1000111.6M62 L1766 R1769 I1770 L1773 R1845 R1847 K1851 L1852 I1853M62-L1849 HydrophobicContact CE-CD1 4.21Å; M62-L1849 HydrophobicContact CE-CD2 3.84Å; M62-L1849 HydrophobicContact CE-CG 4.39Å; M62-L1849 HydrophobicContact SD-CD1 3.82Å; L1766-L1849 HydrophobicContact CD1-CB 4.11Å; L1766-L1849 HydrophobicContact CD1-CD2 3.48Å; L1766-L1849 VanDerWaalsContact CD1-CD2 3.48Å; L1766-L1849 HydrophobicContact CD1-CG 4.38Å; R1769-L1849 HydrophobicContact CB-CD1 4.08Å; I1770-L1849 HydrophobicContact CD1-CB 4.27Å; I1770-L1849 HydrophobicContact CG1-CB 3.76Å; I1770-L1849 HydrophobicContact CG1-CD1 4.25Å; L1773-L1849 HydrophobicContact CD1-CD1 3.68Å; R1845-L1849 PolarHBondContact O-N 2.97Å; R1847-L1849 VanDerWaalsContact C-N 3.32Å; R1847-L1849 PolarHBondContact O-N 2.85Å; L1849-K1851 PolarHBondContact O-N 2.9Å; L1849-L1852 PolarHBondContact O-N 3.34Å; L1849-I1853 HydrophobicContact CD1-CD1 3.98Å; L1849-I1853 HydrophobicContact CD1-CG1 4.38Å; L1849-I1853 HydrophobicContact CG-CD1 3.94Å; L1849-I1853 WeakPolarHBondContact O-CG1 3.29Å; L1849-I1853 PolarHBondContact O-N 3.1Å
1850L81.3Confident81.2Confident22 Ų2222.9 Ų22.912%0.11511%0.108CC..Hα-helixtrans-59-46.7178.4-77.9168.5000112.3L1703 Q1846 R1847 Q1848 L1852 I1853 E1854L1703-L1850 HydrophobicContact CB-CD2 3.84Å; L1703-L1850 HydrophobicContact CD1-CD2 3.64Å; L1703-L1850 HydrophobicContact CG-CD2 4.38Å; Q1846-L1850 PolarHBondContact O-N 2.7Å; R1847-L1850 PolarHBondContact O-N 3.1Å; Q1848-L1850 PolarHBondContact O-N 2.92Å; L1850-L1852 VanDerWaalsContact C-N 3.31Å; L1850-L1852 PolarHBondContact O-N 2.93Å; L1850-I1853 PolarHBondContact O-N 2.77Å; L1850-E1854 WeakPolarHBondContact O-CB 3.37Å; L1850-E1854 PolarHBondContact O-N 3.17Å
1851K82.9Confident81.2Confident46 Ų4621.7 Ų21.720%0.210%0.1CC..Hα-helixtrans-65-32.7178.4-84.8-70.9170.7-153.50113.5D2 L1808 R1847 Q1848 L1849 E1854 A1855D2-K1851 IonicContact OD2-NZ 2.9Å; D2-K1851 PolarHBondContact OD2-NZ 3.05Å; L1808-K1851 HydrophobicContact CD1-CB 4.23Å; L1808-K1851 HydrophobicContact CD1-CG 3.67Å; R1847-K1851 PolarHBondContact O-N 2.96Å; R1847-K1851 VanDerWaalsContact O-N 3.11Å; Q1848-K1851 PolarHBondContact O-N 3.43Å; L1849-K1851 PolarHBondContact O-N 2.9Å; K1851-E1854 WeakPolarHBondContact CD-OE2 3.2Å; K1851-E1854 WeakPolarHBondContact CE-OE2 3.32Å; K1851-E1854 IonicContact NZ-OE1 2.7Å; K1851-E1854 PolarHBondContact NZ-OE1 3.33Å; K1851-E1854 IonicContact NZ-OE2 2.68Å; K1851-E1854 PolarHBondContact NZ-OE2 2.91Å; K1851-A1855 VanDerWaalsContact O-CB 3.3Å; K1851-A1855 WeakPolarHBondContact O-CB 3.35Å; K1851-A1855 PolarHBondContact O-N 2.71Å
1852L85.1Confident81.1Confident0 Ų021.7 Ų21.70%011%0.105CC..Hα-helixtrans-68.8-43.5173.5-74166.4000111.9I1770 L1773 K1774 W1777 Y1800 Q1848 L1849 L1850 A1855 F1856I1770-L1852 HydrophobicContact CG2-CD1 4.14Å; L1773-L1852 HydrophobicContact CB-CB 4.08Å; L1773-L1852 HydrophobicContact CB-CD1 3.93Å; L1773-L1852 HydrophobicContact CB-CG 4.47Å; K1774-L1852 HydrophobicContact CB-CD1 4.45Å; W1777-L1852 HydrophobicContact CB-CD2 3.88Å; W1777-L1852 HydrophobicContact CG-CD2 4.03Å; Y1800-L1852 HydrophobicContact CE2-CD2 4.27Å; Q1848-L1852 WeakPolarHBondContact O-CG 3.42Å; Q1848-L1852 PolarHBondContact O-N 2.92Å; L1849-L1852 PolarHBondContact O-N 3.34Å; L1850-L1852 VanDerWaalsContact C-N 3.31Å; L1850-L1852 PolarHBondContact O-N 2.93Å; L1852-A1855 PolarHBondContact O-N 3.43Å; L1852-F1856 WeakPolarHBondContact O-CD2 3.48Å; L1852-F1856 PolarHBondContact O-N 3.36Å
1853I82Confident80.6Confident5 Ų524.5 Ų24.53%0.02612%0.12CC..Hα-helixtrans-62.7-48176.2-65.9166.4000110.7L58 M62 L1773 L1849 L1850 A1855 F1856 E1857L58-I1853 HydrophobicContact CD1-CG2 4.4Å; L58-I1853 HydrophobicContact CD2-CG2 4.4Å; M62-I1853 HydrophobicContact CE-CD1 4.01Å; M62-I1853 HydrophobicContact CG-CD1 4.48Å; M62-I1853 HydrophobicContact SD-CD1 3.89Å; L1773-I1853 HydrophobicContact CD1-CG1 4.19Å; L1849-I1853 HydrophobicContact CD1-CD1 3.98Å; L1849-I1853 HydrophobicContact CD1-CG1 4.38Å; L1849-I1853 HydrophobicContact CG-CD1 3.94Å; L1849-I1853 WeakPolarHBondContact O-CG1 3.29Å; L1849-I1853 PolarHBondContact O-N 3.1Å; L1850-I1853 PolarHBondContact O-N 2.77Å; I1853-A1855 VanDerWaalsContact C-N 3.34Å; I1853-A1855 PolarHBondContact O-N 3.21Å; I1853-F1856 PolarHBondContact O-N 3.43Å; I1853-E1857 PolarHBondContact O-N 3.39Å
1854E80.3Confident80.2Confident36 Ų3624.1 Ų24.117%0.16812%0.119CC..Hα-helixtrans-54.4-47.6174.5-178.4-167.5138.400111.7I6 L1850 K1851 F1856 E1857 L1858I6-E1854 HydrophobicContact CD1-CG 4.03Å; L1850-E1854 WeakPolarHBondContact O-CB 3.37Å; L1850-E1854 PolarHBondContact O-N 3.17Å; K1851-E1854 WeakPolarHBondContact CD-OE2 3.2Å; K1851-E1854 WeakPolarHBondContact CE-OE2 3.32Å; K1851-E1854 IonicContact NZ-OE1 2.7Å; K1851-E1854 PolarHBondContact NZ-OE1 3.33Å; K1851-E1854 IonicContact NZ-OE2 2.68Å; K1851-E1854 PolarHBondContact NZ-OE2 2.91Å; E1854-F1856 PolarHBondContact O-N 3.17Å; E1854-E1857 PolarHBondContact O-N 2.79Å; E1854-L1858 HydrophobicContact CG-CD1 4.2Å; E1854-L1858 WeakPolarHBondContact O-CB 3.47Å; E1854-L1858 VanDerWaalsContact O-CG 3.32Å; E1854-L1858 WeakPolarHBondContact O-CG 3.12Å; E1854-L1858 PolarHBondContact O-N 2.94Å
1855A82Confident80.2Confident14 Ų1427 Ų2712%0.11613%0.129CC..Hα-helixtrans-61.3-43.5177.200000112.2K1851 L1852 I1853 L1858 F1859K1851-A1855 VanDerWaalsContact O-CB 3.3Å; K1851-A1855 WeakPolarHBondContact O-CB 3.35Å; K1851-A1855 PolarHBondContact O-N 2.71Å; L1852-A1855 PolarHBondContact O-N 3.43Å; I1853-A1855 VanDerWaalsContact C-N 3.34Å; I1853-A1855 PolarHBondContact O-N 3.21Å; A1855-L1858 PolarHBondContact O-N 2.68Å; A1855-F1859 HydrophobicContact CB-CE2 4.38Å; A1855-F1859 WeakPolarHBondContact O-CD2 3.4Å; A1855-F1859 WeakPolarHBondContact O-CG 3.23Å; A1855-F1859 PolarHBondContact O-N 2.93Å
1856F78.9Confident79.8Confident2 Ų229.5 Ų29.51%0.00914%0.141CC..Hα-helixtrans-67.5-37177.7-76.2-58.1000113.6L703 L1773 A1776 W1777 L1852 I1853 E1854 F1859 M1860L703-F1856 HydrophobicContact CD2-CB 4.08Å; L703-F1856 HydrophobicContact CD2-CD1 3.25Å; L703-F1856 HydrophobicContact CD2-CD2 3.85Å; L703-F1856 HydrophobicContact CD2-CE1 3.45Å; L703-F1856 VanDerWaalsContact CD2-CE1 3.45Å; L703-F1856 HydrophobicContact CD2-CE2 4.04Å; L703-F1856 HydrophobicContact CD2-CG 3.46Å; L703-F1856 VanDerWaalsContact CD2-CG 3.46Å; L703-F1856 HydrophobicContact CD2-CZ 3.83Å; L1773-F1856 HydrophobicContact CB-CE2 3.91Å; L1773-F1856 HydrophobicContact CD2-CD2 3.91Å; L1773-F1856 HydrophobicContact CD2-CE2 3.59Å; L1773-F1856 HydrophobicContact CG-CE2 4.3Å; L1773-F1856 WeakPolarHBondContact O-CZ 3.49Å; A1776-F1856 HydrophobicContact CB-CZ 3.86Å; W1777-F1856 HydrophobicContact CB-CE1 4.46Å; W1777-F1856 HydrophobicContact CB-CE2 4.37Å; W1777-F1856 HydrophobicContact CB-CZ 3.84Å; L1852-F1856 WeakPolarHBondContact O-CD2 3.48Å; L1852-F1856 PolarHBondContact O-N 3.36Å; I1853-F1856 PolarHBondContact O-N 3.43Å; E1854-F1856 PolarHBondContact O-N 3.17Å; F1856-F1859 HydrophobicContact CD1-CD2 4.43Å; F1856-F1859 PolarHBondContact O-N 2.82Å; F1856-M1860 WeakPolarHBondContact O-CG 3.39Å; F1856-M1860 PolarHBondContact O-N 3.06Å
1857E79.6Confident79.4Confident17 Ų1730.1 Ų30.18%0.07915%0.145CC..Hα-helixtrans-66.1-44175.5-172.4160-146.400111.6I6 L58 H1700 I1853 E1854 F1859 M1860 I1861I6-E1857 HydrophobicContact CG2-CG 4.42Å; L58-E1857 HydrophobicContact CD1-CB 4.38Å; H1700-E1857 IonicContact CD2-OE2 3.92Å; H1700-E1857 PolarHBondContact CD2-OE2 3.18Å; H1700-E1857 IonicContact CE1-OE2 3.89Å; H1700-E1857 IonicContact NE2-OE2 3.95Å; H1700-E1857 PolarHBondContact NE2-OE2 3.26Å; I1853-E1857 PolarHBondContact O-N 3.39Å; E1854-E1857 PolarHBondContact O-N 2.79Å; E1857-F1859 VanDerWaalsContact C-N 3.34Å; E1857-F1859 PolarHBondContact O-N 3.11Å; E1857-M1860 PolarHBondContact O-N 3.1Å; E1857-I1861 HydrophobicContact CG-CD1 3.97Å; E1857-I1861 WeakPolarHBondContact O-CG1 3.18Å; E1857-I1861 PolarHBondContact O-N 3.01Å
1858L82Confident79.2Confident45 Ų4527.5 Ų27.524%0.23614%0.135CC..Hα-helixtrans-61.7-38.8172.6-69.5171.1000112.3V5 I6 Q9 E1854 A1855 S1862V5-L1858 HydrophobicContact CG1-CD2 4.11Å; I6-L1858 HydrophobicContact CG1-CD2 3.84Å; I6-L1858 HydrophobicContact CG1-CG 4.08Å; Q9-L1858 HydrophobicContact CG-CD2 4.11Å; E1854-L1858 HydrophobicContact CG-CD1 4.2Å; E1854-L1858 WeakPolarHBondContact O-CB 3.47Å; E1854-L1858 VanDerWaalsContact O-CG 3.32Å; E1854-L1858 WeakPolarHBondContact O-CG 3.12Å; E1854-L1858 PolarHBondContact O-N 2.94Å; A1855-L1858 PolarHBondContact O-N 2.68Å; L1858-S1862 WeakPolarHBondContact O-CB 3.29Å; L1858-S1862 PolarHBondContact O-N 2.89Å
1859F77.9Confident78.9Confident71 Ų7130.5 Ų30.531%0.31115%0.154SC..Hα-helixtrans-63.3-48.1172.7-75.5-53.7000111.9W1777 A1855 F1856 E1857 I1861 S1862 D1863W1777-F1859 AromaticContact CD1-CE2 4Å; A1855-F1859 HydrophobicContact CB-CE2 4.38Å; A1855-F1859 WeakPolarHBondContact O-CD2 3.4Å; A1855-F1859 WeakPolarHBondContact O-CG 3.23Å; A1855-F1859 PolarHBondContact O-N 2.93Å; F1856-F1859 HydrophobicContact CD1-CD2 4.43Å; F1856-F1859 PolarHBondContact O-N 2.82Å; E1857-F1859 VanDerWaalsContact C-N 3.34Å; E1857-F1859 PolarHBondContact O-N 3.11Å; F1859-I1861 PolarHBondContact O-N 2.71Å; F1859-S1862 PolarHBondContact O-N 2.67Å; F1859-D1863 PolarHBondContact O-N 3.03Å
1860M75.1Confident78.3Confident16 Ų1638.3 Ų38.38%0.07918%0.183CC..Hα-helixtrans-61.9-43.9179.1-72.9-174.8-60.800112.3R54 L58 L709 F710 F1856 E1857 D1863 L1864R54-M1860 HydrophobicContact CB-CE 4.35Å; R54-M1860 HydrophobicContact CG-CB 4.46Å; R54-M1860 HydrophobicContact CG-CE 4.22Å; R54-M1860 HydrophobicContact CG-SD 4.34Å; L58-M1860 HydrophobicContact CD1-CE 4.04Å; L58-M1860 HydrophobicContact CD2-CE 3.77Å; L58-M1860 HydrophobicContact CG-CE 3.81Å; L709-M1860 HydrophobicContact CD1-SD 4.02Å; F710-M1860 HydrophobicContact CE1-CB 4.37Å; F710-M1860 WeakPolarHBondContact CE1-O 3.41Å; F1856-M1860 WeakPolarHBondContact O-CG 3.39Å; F1856-M1860 PolarHBondContact O-N 3.06Å; E1857-M1860 PolarHBondContact O-N 3.1Å; M1860-D1863 PolarHBondContact O-N 3.48Å; M1860-L1864 WeakPolarHBondContact O-CB 3.42Å; M1860-L1864 PolarHBondContact O-N 2.74Å
1861I77.9Confident78Confident0 Ų038.2 Ų38.20%018%0.182CC..Hα-helixtrans-64.1-45.3175.8-62.5162.3000109.8I6 Q9 E10 L13 E1857 F1859 D1863 L1864 R1865I6-I1861 HydrophobicContact CG2-CD1 4.21Å; Q9-I1861 HydrophobicContact CB-CB 4.49Å; Q9-I1861 HydrophobicContact CB-CD1 4.48Å; Q9-I1861 HydrophobicContact CB-CG2 3.75Å; Q9-I1861 WeakPolarHBondContact O-CG2 3.4Å; E10-I1861 HydrophobicContact CG-CD1 3.74Å; L13-I1861 HydrophobicContact CB-CG2 4.13Å; L13-I1861 HydrophobicContact CD2-CG2 4.17Å; E1857-I1861 HydrophobicContact CG-CD1 3.97Å; E1857-I1861 WeakPolarHBondContact O-CG1 3.18Å; E1857-I1861 PolarHBondContact O-N 3.01Å; F1859-I1861 PolarHBondContact O-N 2.71Å; I1861-D1863 VanDerWaalsContact C-N 3.32Å; I1861-D1863 PolarHBondContact O-N 3.13Å; I1861-L1864 PolarHBondContact O-N 3.08Å; I1861-R1865 HydrophobicContact CG2-CG 4.26Å; I1861-R1865 WeakPolarHBondContact O-CB 3.31Å; I1861-R1865 VanDerWaalsContact O-CG 3.27Å; I1861-R1865 WeakPolarHBondContact O-CG 3.38Å; I1861-R1865 PolarHBondContact O-N 2.99Å
1862S78.5Confident77.6Confident43 Ų4337 Ų3730%0.30118%0.179SC..Hα-helixtrans-58.7-39.9178.4-172.40000113.1L1858 F1859 K1866L1858-S1862 WeakPolarHBondContact O-CB 3.29Å; L1858-S1862 PolarHBondContact O-N 2.89Å; F1859-S1862 PolarHBondContact O-N 2.67Å; S1862-K1866 WeakPolarHBondContact O-CD 3.14Å; S1862-K1866 WeakPolarHBondContact O-CE 3.13Å; S1862-K1866 VanDerWaalsContact O-CG 3.24Å; S1862-K1866 WeakPolarHBondContact O-CG 3.11Å; S1862-K1866 PolarHBondContact O-N 3.2Å; S1862-K1866 VanDerWaalsContact O-N 3.1Å; S1862-K1866 WeakPolarHBondContact OG-CE 3.4Å; S1862-K1866 PolarHBondContact OG-NZ 3.39Å
1863D72.2Confident77Confident64 Ų6440.6 Ų40.634%0.34220%0.198SC..Hα-helixtrans-76.5-35.3178.9-72.4-22.8000112.8F710 F1859 M1860 I1861 K1866 L1867F710-D1863 HydrophobicContact CD2-CB 4.2Å; F710-D1863 HydrophobicContact CE1-CB 4.24Å; F710-D1863 HydrophobicContact CE2-CB 3.53Å; F710-D1863 HydrophobicContact CZ-CB 3.55Å; F1859-D1863 PolarHBondContact O-N 3.03Å; M1860-D1863 PolarHBondContact O-N 3.48Å; I1861-D1863 VanDerWaalsContact C-N 3.32Å; I1861-D1863 PolarHBondContact O-N 3.13Å; D1863-K1866 PolarHBondContact O-N 3.49Å; D1863-K1866 IonicContact OD1-NZ 2.74Å; D1863-K1866 PolarHBondContact OD1-NZ 3.36Å; D1863-L1867 PolarHBondContact O-N 3.14Å
1864L71.3Confident76.2Confident1 Ų143.2 Ų43.21%0.00521%0.212CC..Hα-helixtrans-62.8-45.7171.8-148.3157.3000110.7L13 I17 F50 F710 M1860 I1861 K1866 L1867 I1868L13-L1864 HydrophobicContact CD1-CB 4.41Å; L13-L1864 HydrophobicContact CD1-CD2 3.57Å; L13-L1864 HydrophobicContact CD2-CB 4.38Å; L13-L1864 HydrophobicContact CD2-CD1 4.38Å; L13-L1864 HydrophobicContact CD2-CD2 4.09Å; L13-L1864 HydrophobicContact CG-CD2 4.41Å; I17-L1864 HydrophobicContact CD1-CD2 4.47Å; F50-L1864 HydrophobicContact CB-CD1 3.88Å; F50-L1864 HydrophobicContact CD1-CD1 3.78Å; F50-L1864 HydrophobicContact CE1-CD1 4.43Å; F50-L1864 HydrophobicContact CG-CD1 3.88Å; F710-L1864 HydrophobicContact CB-CG 4.44Å; F710-L1864 HydrophobicContact CD1-CB 3.51Å; F710-L1864 HydrophobicContact CD1-CD1 3.86Å; F710-L1864 HydrophobicContact CD1-CG 3.6Å; F710-L1864 HydrophobicContact CE1-CB 3.91Å; F710-L1864 HydrophobicContact CE1-CD1 4.41Å; F710-L1864 HydrophobicContact CE1-CG 4.38Å; F710-L1864 HydrophobicContact CG-CB 4.42Å; F710-L1864 HydrophobicContact CG-CG 4.43Å; M1860-L1864 WeakPolarHBondContact O-CB 3.42Å; M1860-L1864 PolarHBondContact O-N 2.74Å; I1861-L1864 PolarHBondContact O-N 3.08Å; L1864-K1866 VanDerWaalsContact C-N 3.35Å; L1864-K1866 PolarHBondContact O-N 3.2Å; L1864-L1867 PolarHBondContact O-N 2.86Å; L1864-L1867 VanDerWaalsContact O-N 3.1Å; L1864-I1868 HydrophobicContact CD2-CD1 4.28Å; L1864-I1868 HydrophobicContact CD2-CG1 3.7Å; L1864-I1868 WeakPolarHBondContact O-CG1 3.36Å; L1864-I1868 PolarHBondContact O-N 3.48Å
1865R81.1Confident75.6Confident62 Ų6241.7 Ų41.723%0.23421%0.205CC..Hα-helixtrans-57.7-43.3173.7-68.5-171.773.5176.910.4112.1L13 D16 I1861 L1867 I1868 V1869L13-R1865 HydrophobicContact CB-CG 3.75Å; L13-R1865 HydrophobicContact CD1-CB 4.5Å; L13-R1865 HydrophobicContact CD1-CG 3.62Å; L13-R1865 HydrophobicContact CG-CG 4.21Å; D16-R1865 IonicContact OD1-CZ 2.9Å; D16-R1865 IonicContact OD1-NE 3.03Å; D16-R1865 IonicContact OD1-NH2 2.73Å; D16-R1865 PolarHBondContact OD1-NH2 2.95Å; D16-R1865 WeakPolarHBondContact OD2-CB 3.32Å; D16-R1865 VanDerWaalsContact OD2-CG 3.3Å; D16-R1865 WeakPolarHBondContact OD2-CG 3.44Å; D16-R1865 IonicContact OD2-CZ 3.81Å; D16-R1865 IonicContact OD2-NE 3.23Å; D16-R1865 PolarHBondContact OD2-NE 2.96Å; D16-R1865 IonicContact OD2-NH2 3.26Å; D16-R1865 PolarHBondContact OD2-NH2 3.2Å; I1861-R1865 HydrophobicContact CG2-CG 4.26Å; I1861-R1865 WeakPolarHBondContact O-CB 3.31Å; I1861-R1865 VanDerWaalsContact O-CG 3.27Å; I1861-R1865 WeakPolarHBondContact O-CG 3.38Å; I1861-R1865 PolarHBondContact O-N 2.99Å; R1865-L1867 VanDerWaalsContact C-N 3.29Å; R1865-L1867 PolarHBondContact O-N 3.08Å; R1865-I1868 PolarHBondContact O-N 2.98Å; R1865-V1869 WeakPolarHBondContact O-CB 3.37Å; R1865-V1869 VanDerWaalsContact O-CG2 3.3Å; R1865-V1869 WeakPolarHBondContact O-CG2 3.44Å; R1865-V1869 PolarHBondContact O-N 3.1Å
1866K78.1Confident74.9Confident87 Ų8743.5 Ų43.538%0.37821%0.212SC..Hα-helixtrans-62.2-32.9175.4-72.2162.2-147.2151.80113S1862 D1863 L1864 R1870S1862-K1866 WeakPolarHBondContact O-CD 3.14Å; S1862-K1866 WeakPolarHBondContact O-CE 3.13Å; S1862-K1866 VanDerWaalsContact O-CG 3.24Å; S1862-K1866 WeakPolarHBondContact O-CG 3.11Å; S1862-K1866 PolarHBondContact O-N 3.2Å; S1862-K1866 VanDerWaalsContact O-N 3.1Å; S1862-K1866 WeakPolarHBondContact OG-CE 3.4Å; S1862-K1866 PolarHBondContact OG-NZ 3.39Å; D1863-K1866 PolarHBondContact O-N 3.49Å; D1863-K1866 IonicContact OD1-NZ 2.74Å; D1863-K1866 PolarHBondContact OD1-NZ 3.36Å; L1864-K1866 VanDerWaalsContact C-N 3.35Å; L1864-K1866 PolarHBondContact O-N 3.2Å; K1866-R1870 WeakPolarHBondContact O-CD 3.37Å; K1866-R1870 VanDerWaalsContact O-CG 3.22Å; K1866-R1870 WeakPolarHBondContact O-CG 3.48Å; K1866-R1870 PolarHBondContact O-N 3.2Å
1867L71.4Confident74.2Confident30 Ų3048.1 Ų48.116%0.15723%0.232CC..Hα-helixtrans-73.6-50.4175-178.365.6000111.1F710 N711 D1863 L1864 R1865 V1869 R1870 Q1871F710-L1867 VanDerWaalsContact C-CD2 3.43Å; F710-L1867 HydrophobicContact CB-CB 4.34Å; F710-L1867 HydrophobicContact CB-CD2 3.54Å; F710-L1867 WeakPolarHBondContact O-CD2 3.41Å; N711-L1867 VanDerWaalsContact OD1-CD2 3.29Å; N711-L1867 WeakPolarHBondContact OD1-CD2 3.33Å; D1863-L1867 PolarHBondContact O-N 3.14Å; L1864-L1867 PolarHBondContact O-N 2.86Å; L1864-L1867 VanDerWaalsContact O-N 3.1Å; R1865-L1867 VanDerWaalsContact C-N 3.29Å; R1865-L1867 PolarHBondContact O-N 3.08Å; L1867-V1869 VanDerWaalsContact C-N 3.31Å; L1867-V1869 PolarHBondContact O-N 2.93Å; L1867-R1870 WeakPolarHBondContact O-CB 3.21Å; L1867-R1870 PolarHBondContact O-N 3.47Å; L1867-Q1871 HydrophobicContact CD1-CG 4.49Å; L1867-Q1871 HydrophobicContact CG-CG 4.48Å; L1867-Q1871 PolarHBondContact O-N 3.29Å
1868I76.7Confident73.2Confident3 Ų349.9 Ų49.92%0.01524%0.24CC..Hα-helixtrans-57.5-45.4179.8-64.4-68.8000110.4L13 D16 I17 L20 P44 L1864 R1865 R1870 Q1871 T1872L13-I1868 HydrophobicContact CD1-CG1 4.38Å; D16-I1868 HydrophobicContact CB-CB 4.48Å; D16-I1868 HydrophobicContact CB-CG2 3.79Å; D16-I1868 VanDerWaalsContact O-CG2 3.23Å; D16-I1868 WeakPolarHBondContact O-CG2 3.18Å; I17-I1868 HydrophobicContact CG1-CD1 4.02Å; I17-I1868 HydrophobicContact CG1-CG1 4.07Å; I17-I1868 HydrophobicContact CG1-CG2 4.4Å; L20-I1868 HydrophobicContact CB-CG2 4.08Å; L20-I1868 HydrophobicContact CD2-CD1 3.87Å; L20-I1868 HydrophobicContact CD2-CG2 4.01Å; P44-I1868 HydrophobicContact CB-CD1 4.15Å; L1864-I1868 HydrophobicContact CD2-CD1 4.28Å; L1864-I1868 HydrophobicContact CD2-CG1 3.7Å; L1864-I1868 WeakPolarHBondContact O-CG1 3.36Å; L1864-I1868 PolarHBondContact O-N 3.48Å; R1865-I1868 PolarHBondContact O-N 2.98Å; I1868-R1870 VanDerWaalsContact C-N 3.34Å; I1868-R1870 PolarHBondContact O-N 3.11Å; I1868-Q1871 CarbonylContact O-C 3.35Å; I1868-Q1871 WeakPolarHBondContact O-CB 3.34Å; I1868-Q1871 PolarHBondContact O-N 3.35Å; I1868-Q1871 VanDerWaalsContact O-N 3.09Å; I1868-T1872 PolarHBondContact O-N 3.36Å; I1868-T1872 PolarHBondContact O-OG1 3Å
1869V78.8Confident72.1Confident74 Ų7450.5 Ų50.545%0.44824%0.239SC..Hα-helixtrans-59.8-40.2175.5170.50000112.3R1865 L1867 T1872 D1873R1865-V1869 WeakPolarHBondContact O-CB 3.37Å; R1865-V1869 VanDerWaalsContact O-CG2 3.3Å; R1865-V1869 WeakPolarHBondContact O-CG2 3.44Å; R1865-V1869 PolarHBondContact O-N 3.1Å; L1867-V1869 VanDerWaalsContact C-N 3.31Å; L1867-V1869 PolarHBondContact O-N 2.93Å; V1869-T1872 PolarHBondContact O-N 3.08Å; V1869-D1873 VanDerWaalsContact O-CB 3.31Å; V1869-D1873 WeakPolarHBondContact O-CB 3.31Å; V1869-D1873 PolarHBondContact O-N 3.47Å
1870R71.5Confident71.1Confident166 Ų16652.8 Ų52.863%0.62626%0.255SS*.Hα-helixtrans-66.2-36.6174.3-72.6167-177.4163.80.9112.6K1866 L1867 I1868 D1873 L1874K1866-R1870 WeakPolarHBondContact O-CD 3.37Å; K1866-R1870 VanDerWaalsContact O-CG 3.22Å; K1866-R1870 WeakPolarHBondContact O-CG 3.48Å; K1866-R1870 PolarHBondContact O-N 3.2Å; L1867-R1870 WeakPolarHBondContact O-CB 3.21Å; L1867-R1870 PolarHBondContact O-N 3.47Å; I1868-R1870 VanDerWaalsContact C-N 3.34Å; I1868-R1870 PolarHBondContact O-N 3.11Å; R1870-D1873 WeakPolarHBondContact O-CB 3.46Å; R1870-L1874 WeakPolarHBondContact O-CG 3.29Å; R1870-L1874 PolarHBondContact O-N 3.17Å
1871Q74.5Confident70.1Confident21 Ų2156.7 Ų56.710%0.09827%0.269CS..Hα-helixtrans-67.4-44.6176-82.9178-13.500110.7L20 V41 E715 L1867 I1868 D1873 L1874 V1875L20-Q1871 HydrophobicContact CD1-CB 4.28Å; L20-Q1871 HydrophobicContact CD2-CB 3.74Å; V41-Q1871 HydrophobicContact CG1-CB 3.76Å; V41-Q1871 HydrophobicContact CG1-CG 3.83Å; V41-Q1871 HydrophobicContact CG2-CB 4.16Å; V41-Q1871 HydrophobicContact CG2-CG 4.04Å; E715-Q1871 PolarHBondContact OE2-NE2 3.37Å; L1867-Q1871 HydrophobicContact CD1-CG 4.49Å; L1867-Q1871 HydrophobicContact CG-CG 4.48Å; L1867-Q1871 PolarHBondContact O-N 3.29Å; I1868-Q1871 CarbonylContact O-C 3.35Å; I1868-Q1871 WeakPolarHBondContact O-CB 3.34Å; I1868-Q1871 PolarHBondContact O-N 3.35Å; I1868-Q1871 VanDerWaalsContact O-N 3.09Å; Q1871-D1873 PolarHBondContact O-N 3.44Å; Q1871-L1874 WeakPolarHBondContact O-CB 3.3Å; Q1871-L1874 PolarHBondContact O-N 3.05Å; Q1871-L1874 VanDerWaalsContact O-N 3.13Å; Q1871-V1875 WeakPolarHBondContact O-CG2 3.44Å; Q1871-V1875 PolarHBondContact O-N 3.2Å
1872T74.3Confident68.5Low20 Ų2066.6 Ų66.612%0.12332%0.315CS..Hα-helixtrans-61.1-43.1172.6-540000111.5L20 Q23 I1868 V1869 L1874 V1875 I1876L20-T1872 WeakPolarHBondContact CB-OG1 3.27Å; Q23-T1872 HydrophobicContact CG-CG2 4.24Å; I1868-T1872 PolarHBondContact O-N 3.36Å; I1868-T1872 PolarHBondContact O-OG1 3Å; V1869-T1872 PolarHBondContact O-N 3.08Å; T1872-L1874 VanDerWaalsContact C-N 3.27Å; T1872-L1874 PolarHBondContact O-N 3.43Å; T1872-V1875 PolarHBondContact O-N 3Å; T1872-I1876 HydrophobicContact CG2-CD1 3.71Å; T1872-I1876 HydrophobicContact CG2-CG1 4.27Å; T1872-I1876 WeakPolarHBondContact O-CB 3.45Å; T1872-I1876 VanDerWaalsContact O-CG1 3.31Å; T1872-I1876 WeakPolarHBondContact O-CG1 3.39Å; T1872-I1876 PolarHBondContact O-N 3.29Å
1873D73.4Confident66.6Low75 Ų7571.4 Ų71.440%0.40133%0.333SS..Hα-helixtrans-56.9-37.4173.1-111.424.9000112.7V1869 R1870 Q1871 K1877V1869-D1873 VanDerWaalsContact O-CB 3.31Å; V1869-D1873 WeakPolarHBondContact O-CB 3.31Å; V1869-D1873 PolarHBondContact O-N 3.47Å; R1870-D1873 WeakPolarHBondContact O-CB 3.46Å; Q1871-D1873 PolarHBondContact O-N 3.44Å; D1873-K1877 VanDerWaalsContact O-CB 3.23Å; D1873-K1877 WeakPolarHBondContact O-CB 3.48Å; D1873-K1877 WeakPolarHBondContact O-CD 3.37Å; D1873-K1877 WeakPolarHBondContact O-CE 3.31Å; D1873-K1877 WeakPolarHBondContact O-CG 3.28Å; D1873-K1877 PolarHBondContact O-N 2.81Å; D1873-K1877 VanDerWaalsContact O-N 3.14Å; D1873-K1877 IonicContact OD2-NZ 3.9Å; D1873-K1877 PolarHBondContact OD2-NZ 2.97Å
1874L65.3Low65.2Low60 Ų6072.3 Ų72.331%0.31436%0.357SS..Hα-helixtrans-71.6-48.8176.8-75.9166.2000111.3V41 R1870 Q1871 T1872 I1876 K1877 E1878 L1890V41-L1874 HydrophobicContact CG2-CB 4.04Å; V41-L1874 HydrophobicContact CG2-CD1 4.18Å; R1870-L1874 WeakPolarHBondContact O-CG 3.29Å; R1870-L1874 PolarHBondContact O-N 3.17Å; Q1871-L1874 WeakPolarHBondContact O-CB 3.3Å; Q1871-L1874 PolarHBondContact O-N 3.05Å; Q1871-L1874 VanDerWaalsContact O-N 3.13Å; T1872-L1874 VanDerWaalsContact C-N 3.27Å; T1872-L1874 PolarHBondContact O-N 3.43Å; L1874-I1876 PolarHBondContact O-N 3.35Å; L1874-K1877 CarbonylContact O-C 3.4Å; L1874-K1877 PolarHBondContact O-N 2.86Å; L1874-K1877 VanDerWaalsContact O-N 3.16Å; L1874-E1878 WeakPolarHBondContact O-CG 3.29Å; L1874-E1878 PolarHBondContact O-N 3.23Å; L1874-L1890 HydrophobicContact CD2-CD2 3.97Å
1875V67.1Low63.5Low4 Ų475.6 Ų75.62%0.02438%0.375CS..Hα-helixtrans-61.8-44.6179.2177.60000111.5L20 Q23 I24 V41 Q1871 T1872 K1877 E1878 R1879L20-V1875 HydrophobicContact CD1-CG2 4.02Å; Q23-V1875 HydrophobicContact CB-CG1 3.91Å; I24-V1875 HydrophobicContact CD1-CG2 4.34Å; I24-V1875 HydrophobicContact CG1-CG1 3.98Å; I24-V1875 HydrophobicContact CG1-CG2 3.86Å; V41-V1875 HydrophobicContact CB-CG2 3.75Å; V41-V1875 HydrophobicContact CG1-CG2 4.13Å; V41-V1875 HydrophobicContact CG2-CG2 4.12Å; Q1871-V1875 WeakPolarHBondContact O-CG2 3.44Å; Q1871-V1875 PolarHBondContact O-N 3.2Å; T1872-V1875 PolarHBondContact O-N 3Å; V1875-K1877 VanDerWaalsContact C-N 3.33Å; V1875-K1877 PolarHBondContact O-N 2.86Å; V1875-E1878 PolarHBondContact O-N 3.4Å; V1875-E1878 VanDerWaalsContact O-N 3.17Å; V1875-R1879 WeakPolarHBondContact O-CB 3.38Å; V1875-R1879 PolarHBondContact O-N 3.06Å
1876I66.6Low61.7Low53 Ų5380.2 Ų80.227%0.27240%0.403SS..Hα-helixtrans-63.4-39.3175.6-68.6175.2000111Q23 T1872 L1874 E1878 R1879 N1880Q23-I1876 HydrophobicContact CG-CD1 4.18Å; Q23-I1876 HydrophobicContact CG-CG1 3.94Å; T1872-I1876 HydrophobicContact CG2-CD1 3.71Å; T1872-I1876 HydrophobicContact CG2-CG1 4.27Å; T1872-I1876 WeakPolarHBondContact O-CB 3.45Å; T1872-I1876 VanDerWaalsContact O-CG1 3.31Å; T1872-I1876 WeakPolarHBondContact O-CG1 3.39Å; T1872-I1876 PolarHBondContact O-N 3.29Å; L1874-I1876 PolarHBondContact O-N 3.35Å; I1876-E1878 VanDerWaalsContact C-N 3.31Å; I1876-E1878 PolarHBondContact O-N 3.17Å; I1876-R1879 PolarHBondContact O-N 3.34Å; I1876-N1880 WeakPolarHBondContact CG2-ND2 3.24Å; I1876-N1880 WeakPolarHBondContact O-CB 3.48Å; I1876-N1880 PolarHBondContact O-N 2.93Å
1877K64.3Low60.2Low99 Ų9978 Ų7843%0.4340%0.398SS..Hα-helixtrans-69.4-26.7175.7-75.8165.7-159.4153.40112.8D1873 L1874 V1875 R1881D1873-K1877 VanDerWaalsContact O-CB 3.23Å; D1873-K1877 WeakPolarHBondContact O-CB 3.48Å; D1873-K1877 WeakPolarHBondContact O-CD 3.37Å; D1873-K1877 WeakPolarHBondContact O-CE 3.31Å; D1873-K1877 WeakPolarHBondContact O-CG 3.28Å; D1873-K1877 PolarHBondContact O-N 2.81Å; D1873-K1877 VanDerWaalsContact O-N 3.14Å; D1873-K1877 IonicContact OD2-NZ 3.9Å; D1873-K1877 PolarHBondContact OD2-NZ 2.97Å; L1874-K1877 CarbonylContact O-C 3.4Å; L1874-K1877 PolarHBondContact O-N 2.86Å; L1874-K1877 VanDerWaalsContact O-N 3.16Å; V1875-K1877 VanDerWaalsContact C-N 3.33Å; V1875-K1877 PolarHBondContact O-N 2.86Å; K1877-R1881 WeakPolarHBondContact O-CG 3.19Å; K1877-R1881 PolarHBondContact O-NE 3.12Å; K1877-R1881 PolarHBondContact O-NH2 2.69Å
1878E60Low58.9Low53 Ų5380.2 Ų80.225%0.24841%0.409CS..Hα-helixtrans-74.6-45.1171.2-75.7174.9-179.200111.4S40 L1874 V1875 I1876S40-E1878 WeakPolarHBondContact CB-OE1 3.47Å; S40-E1878 PolarHBondContact N-OE2 3.16Å; S40-E1878 PolarHBondContact OG-OE1 3.32Å; L1874-E1878 WeakPolarHBondContact O-CG 3.29Å; L1874-E1878 PolarHBondContact O-N 3.23Å; V1875-E1878 PolarHBondContact O-N 3.4Å; V1875-E1878 VanDerWaalsContact O-N 3.17Å; I1876-E1878 VanDerWaalsContact C-N 3.31Å; I1876-E1878 PolarHBondContact O-N 3.17Å
1879R58.2Low57.3Low58 Ų5885.8 Ų85.822%0.21944%0.439CS..Hα-helixtrans-63.7-44-179.4178-176.6170.3175.36.6114E26 V1875 I1876 R1881E26-R1879 VanDerWaalsContact CD-CZ 3.49Å; E26-R1879 VanDerWaalsContact CD-NH1 3.25Å; E26-R1879 IonicContact OE1-CZ 3.89Å; E26-R1879 IonicContact OE1-NH1 2.65Å; E26-R1879 IonicContact OE1-NH2 2.69Å; E26-R1879 PolarHBondContact OE1-NH2 3.32Å; E26-R1879 IonicContact OE2-CZ 2.63Å; E26-R1879 IonicContact OE2-NH1 2.61Å; E26-R1879 PolarHBondContact OE2-NH1 2.75Å; E26-R1879 IonicContact OE2-NH2 2.8Å; E26-R1879 PolarHBondContact OE2-NH2 2.81Å; V1875-R1879 WeakPolarHBondContact O-CB 3.38Å; V1875-R1879 PolarHBondContact O-N 3.06Å; I1876-R1879 PolarHBondContact O-N 3.34Å; R1879-R1881 PolarHBondContact O-N 3.44Å
1880N57.2Low55.5Low119 Ų11986.6 Ų86.664%0.63644%0.44SS*.SBendtrans-7739.3-172.8-69.6-13.2000113.6I1876I1876-N1880 WeakPolarHBondContact CG2-ND2 3.24Å; I1876-N1880 WeakPolarHBondContact O-CB 3.48Å; I1876-N1880 PolarHBondContact O-N 2.93Å
1881R54.3Low54.1Low99 Ų9988 Ų8837%0.37445%0.446SS..  trans-127.880.3-173.3-63.3-176.5-175149.512.7112K1877 R1879 E1883K1877-R1881 WeakPolarHBondContact O-CG 3.19Å; K1877-R1881 PolarHBondContact O-NE 3.12Å; K1877-R1881 PolarHBondContact O-NH2 2.69Å; R1879-R1881 PolarHBondContact O-N 3.44Å; R1881-E1883 VanDerWaalsContact C-N 3.27Å
1882E43.9Very low52.2Low208 Ų20893.1 Ų93.197%0.97247%0.468SS*.  trans-74.2-19.4168.8-65.1-168.2147.200112.7
1883E39.4Very low50.5Low144 Ų144100.4 Ų100.467%0.67349%0.493SS*.SBendtrans-98.2133.8178.7-63.5-173.2177.400112.4R1881 N1885R1881-E1883 VanDerWaalsContact C-N 3.27Å; E1883-N1885 PolarHBondContact O-N 2.92Å; E1883-N1885 PolarHBondContact OE2-ND2 3.46Å
1884G41.2Very low49Very low83 Ų83103.6 Ų103.686%0.85652%0.518SS*.  trans-72.533.4-178.700000116
1885N36.8Very low47.8Very low69 Ų69105.1 Ų105.137%0.36954%0.539SS..  trans-94.3131-174.8-70.4-35.2000111.1E1883 M1947E1883-N1885 PolarHBondContact O-N 2.92Å; E1883-N1885 PolarHBondContact OE2-ND2 3.46Å; N1885-M1947 WeakPolarHBondContact OD1-CE 3.06Å
1886L42.1Very low46.3Very low159 Ų159108.6 Ų108.683%0.83256%0.556SS**  trans-67.5143.7-175.4-111.876.8000112.6L1888L1886-L1888 PolarHBondContact O-N 2.84Å
1887P47.4Very low45.1Very low40 Ų40115.3 Ų115.326%0.2658%0.583SS.*  trans-83.987.2-161.433-36.9000113.7D1889 L1890 W1891P1887-D1889 VanDerWaalsContact C-N 3.31Å; P1887-D1889 PolarHBondContact O-N 2.92Å; P1887-L1890 HydrophobicContact CB-CD1 4.04Å; P1887-L1890 HydrophobicContact CB-CG 4.33Å; P1887-L1890 HydrophobicContact CG-CD1 3.9Å; P1887-L1890 PolarHBondContact O-N 2.93Å; P1887-W1891 VanDerWaalsContact O-CD1 3.24Å
1888L43.6Very low44Very low78 Ų78117.7 Ų117.741%0.40860%0.596SS.*G310 helixtrans-58.6-35.5178.3-67.4177000114.1L1886 L1890 W1891 F1954L1886-L1888 PolarHBondContact O-N 2.84Å; L1888-L1890 PolarHBondContact O-N 3.34Å; L1888-W1891 PolarHBondContact O-N 3.28Å; L1888-F1954 HydrophobicContact CD1-CG 4.34Å; L1888-F1954 HydrophobicContact CD2-CD1 3.68Å; L1888-F1954 HydrophobicContact CD2-CE1 3.94Å; L1888-F1954 HydrophobicContact CD2-CG 4.09Å
1889D42.6Very low43Very low119 Ų119121.3 Ų121.364%0.63662%0.622SS**G310 helixtrans-67.6-14.8-176.7-85.1-21.4000114.3P1887 W1891 K1892P1887-D1889 VanDerWaalsContact C-N 3.31Å; P1887-D1889 PolarHBondContact O-N 2.92Å; D1889-W1891 VanDerWaalsContact C-N 3.32Å; D1889-K1892 WeakPolarHBondContact OD1-CD 3.48Å; D1889-K1892 WeakPolarHBondContact OD1-CE 3.4Å; D1889-K1892 IonicContact OD1-NZ 2.77Å; D1889-K1892 PolarHBondContact OD1-NZ 3.27Å
1890L41.5Very low42.1Very low91 Ų91121.4 Ų121.448%0.47663%0.626SS.*G310 helixtrans-75.4-20.3171.6-69176.2000113.1L1874 P1887 L1888L1874-L1890 HydrophobicContact CD2-CD2 3.97Å; P1887-L1890 HydrophobicContact CB-CD1 4.04Å; P1887-L1890 HydrophobicContact CB-CG 4.33Å; P1887-L1890 HydrophobicContact CG-CD1 3.9Å; P1887-L1890 PolarHBondContact O-N 2.93Å; L1888-L1890 PolarHBondContact O-N 3.34Å
1891W42.3Very low41.6Very low196 Ų196121.1 Ų121.174%0.74263%0.634SS**SBendtrans-98.8-4.5-177.3-53.896.8000113.2P1887 L1888 D1889 R1893P1887-W1891 VanDerWaalsContact O-CD1 3.24Å; L1888-W1891 PolarHBondContact O-N 3.28Å; D1889-W1891 VanDerWaalsContact C-N 3.32Å; W1891-R1893 PolarHBondContact O-N 3.48Å
1892K35.4Very low41.2Very low128 Ų128119.2 Ų119.256%0.55763%0.633SS**  trans-82.482.1-165.6-164.3174.8-167.11740112.5D1889D1889-K1892 WeakPolarHBondContact OD1-CD 3.48Å; D1889-K1892 WeakPolarHBondContact OD1-CE 3.4Å; D1889-K1892 IonicContact OD1-NZ 2.77Å; D1889-K1892 PolarHBondContact OD1-NZ 3.27Å
1893R38.9Very low41.5Very low174 Ų174118.4 Ų118.466%0.65763%0.626SS**  trans-56.6125.7170.8-74.4180168.7163-3.5109.8W1891 A1895 E1962W1891-R1893 PolarHBondContact O-N 3.48Å; R1893-A1895 PolarHBondContact O-N 2.63Å; R1893-E1962 IonicContact NH1-OE1 2.67Å
1894P40.7Very low42.1Very low142 Ų142122.7 Ų122.792%0.92264%0.636SS**THydrogen-bonded Turntrans-64.713-167.5-27.136000119.1
1895A40.5Very low42.9Very low91 Ų91121 Ų12175%0.75261%0.61SS**THydrogen-bonded Turntrans-106.9-5.3-168.500000115.4R1893 K1897R1893-A1895 PolarHBondContact O-N 2.63Å; A1895-K1897 PolarHBondContact O-N 2.96Å
1896M36.5Very low44.3Very low78 Ų78120.4 Ų120.438%0.38461%0.614SS.*  trans-82.2117.9-175.2-71.6176.2171.500112.7
1897K39.4Very low45.6Very low193 Ų193114.7 Ų114.784%0.83959%0.585SS**  trans-152.897.8169.3-76.5-171.4178-179.10111.4A1895A1895-K1897 PolarHBondContact O-N 2.96Å
1898E41.8Very low46.6Very low149 Ų149116.1 Ų116.170%0.69660%0.6SS**  trans-175.9179.1153-109.2163.2-156.700109.1Y1961E1898-Y1961 WeakPolarHBondContact CA-OH 3.43Å; E1898-Y1961 HydrophobicContact CB-CE1 3.85Å; E1898-Y1961 VanDerWaalsContact CB-OH 3.24Å; E1898-Y1961 WeakPolarHBondContact CB-OH 3.42Å; E1898-Y1961 PolarHBondContact O-OH 2.7Å
1899T39.1Very low48Very low130 Ų130118.9 Ų118.980%0.79861%0.61SS**  trans-123.9122.3-172.453.20000114.1Y1961T1899-Y1961 PolarHBondContact N-OH 2.76Å; T1899-Y1961 VanDerWaalsContact N-OH 3.14Å
1900L39.7Very low49.6Very low60 Ų60118 Ų11831%0.31460%0.603SS.*  trans-94.2151.5166.8-170.769.9000110.8V1902 Y1957 Y1960L1900-V1902 PolarHBondContact O-N 3.47Å; L1900-Y1957 HydrophobicContact CB-CD1 3.94Å; L1900-Y1957 HydrophobicContact CB-CE1 3.84Å; L1900-Y1957 WeakPolarHBondContact O-CE1 3.09Å; L1900-Y1960 HydrophobicContact CB-CD1 4.41Å; L1900-Y1960 HydrophobicContact CD1-CD1 4.35Å; L1900-Y1960 HydrophobicContact CD1-CD2 3.88Å; L1900-Y1960 HydrophobicContact CD1-CE1 4.23Å; L1900-Y1960 HydrophobicContact CD1-CE2 3.75Å; L1900-Y1960 HydrophobicContact CD1-CG 4.19Å; L1900-Y1960 HydrophobicContact CD2-CD1 4.47Å; L1900-Y1960 HydrophobicContact CD2-CD2 3.96Å; L1900-Y1960 HydrophobicContact CD2-CG 3.86Å; L1900-Y1960 HydrophobicContact CG-CG 4.44Å
1901S46.5Very low51.3Low113 Ų113117 Ų11779%0.7960%0.595SS**  trans-84100.3175.460.90000112.3
1902V46.5Very low52.8Low58 Ų58112 Ų11235%0.35258%0.582SS.*PPolyproline II helixtrans-71.5144.7168.5-177.80000109.9L1900 R1904 T1953 Y1957L1900-V1902 PolarHBondContact O-N 3.47Å; V1902-R1904 PolarHBondContact O-N 3.44Å; V1902-T1953 HydrophobicContact CG2-CG2 4.14Å; V1902-Y1957 HydrophobicContact CG2-CE1 4.11Å; V1902-Y1957 HydrophobicContact CG2-CE2 4.2Å
1903K49.3Very low54.9Low191 Ų191111 Ų11183%0.8358%0.583SS**PPolyproline II helixtrans-65.1134.1175-78-177.9176.6176.20109.8P1905K1903-P1905 VanDerWaalsContact O-CD 3.32Å; K1903-P1905 WeakPolarHBondContact O-CD 3.48Å
1904R51.8Low56.9Low234 Ų234104.4 Ų104.488%0.88356%0.559SS**PPolyproline II helixtrans-59.5120.5176.2-174.9176.9-177.4172.40.2109.7V1902V1902-R1904 PolarHBondContact O-N 3.44Å
1905P59.7Low58.5Low49 Ų4999.7 Ų99.732%0.31853%0.526SS..PPolyproline II helixtrans-73.9148.7179.8-15.331.3000110.8K1903 L1907 N1949K1903-P1905 VanDerWaalsContact O-CD 3.32Å; K1903-P1905 WeakPolarHBondContact O-CD 3.48Å; P1905-L1907 HydrophobicContact CB-CD1 3.76Å; P1905-L1907 HydrophobicContact CB-CG 3.82Å; P1905-L1907 HydrophobicContact CG-CD1 4.19Å; P1905-L1907 PolarHBondContact O-N 2.85Å; P1905-L1907 VanDerWaalsContact O-N 3.14Å; P1905-N1949 VanDerWaalsContact CG-CG 3.44Å; P1905-N1949 WeakPolarHBondContact CG-ND2 3.49Å; P1905-N1949 WeakPolarHBondContact CG-OD1 3.44Å
1906A66Low60.2Low55 Ų55100.2 Ų100.246%0.45552%0.515SS..THydrogen-bonded Turntrans-75.16.717800000114A1908 E1909 E1910A1906-A1908 PolarHBondContact O-N 2.74Å; A1906-E1909 WeakPolarHBondContact O-CA 3.25Å; A1906-E1909 PolarHBondContact O-N 3.02Å; A1906-E1910 PolarHBondContact O-N 3.29Å
1907L68.4Low62.1Low40 Ų40100.7 Ų100.721%0.20953%0.526CS..Hα-helixtrans-43.5-40.6-174.7-71.3165000114.8P1905 F1911 V1946 N1949P1905-L1907 HydrophobicContact CB-CD1 3.76Å; P1905-L1907 HydrophobicContact CB-CG 3.82Å; P1905-L1907 HydrophobicContact CG-CD1 4.19Å; P1905-L1907 PolarHBondContact O-N 2.85Å; P1905-L1907 VanDerWaalsContact O-N 3.14Å; L1907-F1911 WeakPolarHBondContact O-CB 3.44Å; L1907-F1911 PolarHBondContact O-N 2.75Å; L1907-V1946 HydrophobicContact CD1-CG2 4.03Å; L1907-V1946 HydrophobicContact CD2-CG2 4.32Å; L1907-N1949 HydrophobicContact CD1-CB 4.38Å
1908A68.4Low63.8Low69 Ų6994.3 Ų94.357%0.5750%0.499SS*.Hα-helixtrans-74.7-35.5179.800000113.2A1906 L1912A1906-A1908 PolarHBondContact O-N 2.74Å; A1908-L1912 VanDerWaalsContact O-CB 3.31Å; A1908-L1912 WeakPolarHBondContact O-CB 3.48Å; A1908-L1912 PolarHBondContact O-N 3.46Å
1909E73.5Confident65.2Low136 Ų13688.7 Ų88.764%0.63648%0.476SS*.Hα-helixtrans-74.1-39.9175.8-64.3175.7178.300110.2A1906 L1912 N1913A1906-E1909 WeakPolarHBondContact O-CA 3.25Å; A1906-E1909 PolarHBondContact O-N 3.02Å; E1909-L1912 PolarHBondContact O-N 2.97Å; E1909-N1913 WeakPolarHBondContact O-CB 3.32Å; E1909-N1913 PolarHBondContact O-N 2.76Å; E1909-N1913 PolarHBondContact O-ND2 3.22Å; E1909-N1913 VanDerWaalsContact O-ND2 3.11Å
1910E76Confident66.7Low101 Ų10187.4 Ų87.447%0.47246%0.463SS..Hα-helixtrans-67.7-41.7176.4-171.9156.9-155.200112.1A1906 N1913 Q1914A1906-E1910 PolarHBondContact O-N 3.29Å; E1910-N1913 PolarHBondContact O-N 2.77Å; E1910-Q1914 WeakPolarHBondContact O-CB 3.49Å; E1910-Q1914 WeakPolarHBondContact O-CG 3.34Å; E1910-Q1914 PolarHBondContact O-N 3.27Å
1911F76.4Confident68Low71 Ų7188 Ų8831%0.31146%0.464SS..Hα-helixtrans-59.1-45.9168.9174.2-121.8000112L1907 Q1914 L1915 I1938 V1942L1907-F1911 WeakPolarHBondContact O-CB 3.44Å; L1907-F1911 PolarHBondContact O-N 2.75Å; F1911-Q1914 PolarHBondContact O-N 2.95Å; F1911-L1915 HydrophobicContact CE2-CD1 4.23Å; F1911-L1915 HydrophobicContact CZ-CD1 4.16Å; F1911-L1915 WeakPolarHBondContact O-CB 3.48Å; F1911-L1915 PolarHBondContact O-N 3.34Å; F1911-I1938 HydrophobicContact CD2-CG2 3.57Å; F1911-I1938 HydrophobicContact CE2-CG2 3.68Å; F1911-V1942 HydrophobicContact CB-CG2 3.73Å; F1911-V1942 HydrophobicContact CD2-CG2 3.47Å; F1911-V1942 VanDerWaalsContact CD2-CG2 3.47Å; F1911-V1942 HydrophobicContact CE2-CG2 4.37Å; F1911-V1942 HydrophobicContact CG-CG2 3.89Å
1912L74.5Confident69Low91 Ų9186.6 Ų86.648%0.47645%0.448SS..Hα-helixtrans-65-42.1-179.4-169.171.9000111.7A1908 E1909 L1915 I1916A1908-L1912 VanDerWaalsContact O-CB 3.31Å; A1908-L1912 WeakPolarHBondContact O-CB 3.48Å; A1908-L1912 PolarHBondContact O-N 3.46Å; E1909-L1912 PolarHBondContact O-N 2.97Å; L1912-L1915 PolarHBondContact O-N 2.97Å; L1912-I1916 HydrophobicContact CD1-CD1 4.46Å; L1912-I1916 HydrophobicContact CD2-CD1 4.45Å; L1912-I1916 HydrophobicContact CG-CD1 3.93Å; L1912-I1916 WeakPolarHBondContact O-CB 3.48Å; L1912-I1916 VanDerWaalsContact O-CG1 3.3Å; L1912-I1916 WeakPolarHBondContact O-CG1 3.43Å; L1912-I1916 PolarHBondContact O-N 3Å
1913N79.9Confident70Confident107 Ų10791.8 Ų91.857%0.57247%0.469SS*.Hα-helixtrans-61.9-44.1174.8-72.5-31000111.4E1909 E1910 S1917E1909-N1913 WeakPolarHBondContact O-CB 3.32Å; E1909-N1913 PolarHBondContact O-N 2.76Å; E1909-N1913 PolarHBondContact O-ND2 3.22Å; E1909-N1913 VanDerWaalsContact O-ND2 3.11Å; E1910-N1913 PolarHBondContact O-N 2.77Å; N1913-S1917 VanDerWaalsContact O-CB 3.32Å; N1913-S1917 WeakPolarHBondContact O-CB 3.39Å; N1913-S1917 PolarHBondContact O-N 2.83Å; N1913-S1917 PolarHBondContact O-OG 3.37Å; N1913-S1917 VanDerWaalsContact O-OG 3.14Å
1914Q79.5Confident70.6Confident35 Ų3591.9 Ų91.916%0.16447%0.472CS..Hα-helixtrans-63.7-39.3173.8-74.4-175.843.100112.1E1910 F1911 S1917 H1918 I1938 N1941E1910-Q1914 WeakPolarHBondContact O-CB 3.49Å; E1910-Q1914 WeakPolarHBondContact O-CG 3.34Å; E1910-Q1914 PolarHBondContact O-N 3.27Å; F1911-Q1914 PolarHBondContact O-N 2.95Å; Q1914-S1917 PolarHBondContact O-OG 3.46Å; Q1914-H1918 PolarHBondContact O-N 3.49Å; Q1914-H1918 PolarHBondContact O-ND1 2.82Å; Q1914-I1938 HydrophobicContact CB-CG1 4.14Å; Q1914-I1938 HydrophobicContact CB-CG2 3.78Å; Q1914-I1938 WeakPolarHBondContact O-CD1 3.37Å; Q1914-N1941 PolarHBondContact OE1-ND2 3.49Å
1915L75.8Confident71.2Confident43 Ų4383.3 Ų83.323%0.22545%0.448CS..Hα-helixtrans-65.8-46.7178.8-162.483.5000111.8F1911 L1912 H1918 S1919 I1930 F1935F1911-L1915 HydrophobicContact CE2-CD1 4.23Å; F1911-L1915 HydrophobicContact CZ-CD1 4.16Å; F1911-L1915 WeakPolarHBondContact O-CB 3.48Å; F1911-L1915 PolarHBondContact O-N 3.34Å; L1912-L1915 PolarHBondContact O-N 2.97Å; L1915-H1918 PolarHBondContact O-N 3.17Å; L1915-S1919 PolarHBondContact O-N 3.44Å; L1915-I1930 HydrophobicContact CD1-CD1 3.78Å; L1915-I1930 HydrophobicContact CD2-CD1 4.48Å; L1915-I1930 HydrophobicContact CG-CD1 3.8Å; L1915-F1935 HydrophobicContact CD1-CD2 4.21Å; L1915-F1935 HydrophobicContact CD1-CE2 4.25Å
1916I75.7Confident71.2Confident101 Ų10186.4 Ų86.452%0.51846%0.462SS..Hα-helixtrans-64.5-46.8179.4-68.6168000110.4L1912 H1918 S1919L1912-I1916 HydrophobicContact CD1-CD1 4.46Å; L1912-I1916 HydrophobicContact CD2-CD1 4.45Å; L1912-I1916 HydrophobicContact CG-CD1 3.93Å; L1912-I1916 WeakPolarHBondContact O-CB 3.48Å; L1912-I1916 VanDerWaalsContact O-CG1 3.3Å; L1912-I1916 WeakPolarHBondContact O-CG1 3.43Å; L1912-I1916 PolarHBondContact O-N 3Å; I1916-H1918 PolarHBondContact O-N 3.35Å; I1916-H1918 VanDerWaalsContact O-N 3.13Å; I1916-S1919 PolarHBondContact O-N 3.35Å; I1916-S1919 VanDerWaalsContact O-N 3.09Å; I1916-S1919 PolarHBondContact O-OG 2.87Å
1917S76.1Confident71.3Confident88 Ų8888.6 Ų88.662%0.61547%0.465SS*.Hα-helixtrans-65.7-17-175.9700000114.6N1913 Q1914N1913-S1917 VanDerWaalsContact O-CB 3.32Å; N1913-S1917 WeakPolarHBondContact O-CB 3.39Å; N1913-S1917 PolarHBondContact O-N 2.83Å; N1913-S1917 PolarHBondContact O-OG 3.37Å; N1913-S1917 VanDerWaalsContact O-OG 3.14Å; Q1914-S1917 PolarHBondContact O-OG 3.46Å
1918H74.5Confident71.5Confident59 Ų5993.6 Ų93.627%0.27348%0.482SS..THydrogen-bonded Turntrans-108.37.2177.5-65.686.4000113.5Q1914 L1915 I1916 N1934 I1938Q1914-H1918 PolarHBondContact O-N 3.49Å; Q1914-H1918 PolarHBondContact O-ND1 2.82Å; L1915-H1918 PolarHBondContact O-N 3.17Å; I1916-H1918 PolarHBondContact O-N 3.35Å; I1916-H1918 VanDerWaalsContact O-N 3.13Å; H1918-N1934 HydrophobicContact CB-CB 3.98Å; H1918-I1938 HydrophobicContact CB-CD1 3.85Å
1919S71.4Confident71.7Confident31 Ų3193.7 Ų93.722%0.21748%0.475CS..EExtended strand (participates in β ladder)trans-92.9129.8178.171.90000111.9L1915 I1916L1915-S1919 PolarHBondContact O-N 3.44Å; I1916-S1919 PolarHBondContact O-N 3.35Å; I1916-S1919 VanDerWaalsContact O-N 3.09Å; I1916-S1919 PolarHBondContact O-OG 2.87Å
1920I71.2Confident71.8Confident103 Ų10390 Ų9053%0.52846%0.46SS..EExtended strand (participates in β ladder)trans-94.6104.9172.5-56.1174000107.1T1929I1920-T1929 PolarHBondContact N-O 3.33Å; I1920-T1929 PolarHBondContact O-N 2.99Å; I1920-T1929 PolarHBondContact O-OG1 2.96Å
1921H66.9Low71.9Confident72 Ų7288.1 Ų88.133%0.33346%0.455SS..EExtended strand (participates in β ladder)trans-76133.6170-175.9-124.2000109.8D1926 Y1928H1921-D1926 IonicContact CD2-OD1 2.8Å; H1921-D1926 IonicContact CE1-OD1 3.68Å; H1921-D1926 IonicContact NE2-OD1 2.83Å; H1921-D1926 PolarHBondContact NE2-OD1 2.78Å; H1921-Y1928 HydrophobicContact CB-CD1 3.85Å; H1921-Y1928 HydrophobicContact CB-CE1 3.65Å; H1921-Y1928 AromaticContact CD2-CD1 3.91Å; H1921-Y1928 AromaticContact CD2-CD2 3.84Å; H1921-Y1928 AromaticContact CD2-CE1 3.53Å; H1921-Y1928 AromaticContact CD2-CE2 3.45Å; H1921-Y1928 VanDerWaalsContact CD2-CE2 3.45Å; H1921-Y1928 WeakPolarHBondContact CD2-CE2 3.2Å; H1921-Y1928 AromaticContact CD2-CZ 3.28Å; H1921-Y1928 AromaticContact CG-CE1 3.76Å; H1921-Y1928 AromaticContact CG-CZ 3.88Å; H1921-Y1928 AromaticContact NE2-CE2 3.91Å; H1921-Y1928 AromaticContact NE2-CZ 3.84Å
1922N68.2Low72Confident84 Ų8492.7 Ų92.745%0.44947%0.474SS..EExtended strand (participates in β ladder)trans-116.691.6179.7-173.737.8000110.3E1924 S1925 D1926 I1927N1922-E1924 VanDerWaalsContact C-N 3.28Å; N1922-E1924 PolarHBondContact O-N 3.42Å; N1922-E1924 VanDerWaalsContact O-N 3.1Å; N1922-S1925 PolarHBondContact ND2-OG 3.22Å; N1922-S1925 VanDerWaalsContact ND2-OG 3.09Å; N1922-S1925 PolarHBondContact O-N 2.94Å; N1922-S1925 PolarHBondContact O-OG 3.37Å; N1922-D1926 PolarHBondContact O-N 2.89Å; N1922-D1926 VanDerWaalsContact O-N 3.13Å; N1922-I1927 PolarHBondContact N-O 2.83Å; N1922-I1927 VanDerWaalsContact N-O 3.1Å
1923E66.9Low72.3Confident168 Ų16895.8 Ų95.879%0.78549%0.487SS*.THydrogen-bonded Turntrans-50.6-37.2-165.9-63.9-174.916000114.7S1925E1923-S1925 PolarHBondContact O-N 3.1Å
1924E62.4Low72.3Confident193 Ų19393 Ų9390%0.90247%0.472SS*.THydrogen-bonded Turntrans-66.4-16.7179.2-65.2-167.3142.700114.3N1922N1922-E1924 VanDerWaalsContact C-N 3.28Å; N1922-E1924 PolarHBondContact O-N 3.42Å; N1922-E1924 VanDerWaalsContact O-N 3.1Å
1925S63.6Low72.3Confident54 Ų5495.9 Ų95.938%0.37848%0.484SS..THydrogen-bonded Turntrans-122.1-14-173.561.60000114.4N1922 E1923 I1927N1922-S1925 PolarHBondContact ND2-OG 3.22Å; N1922-S1925 VanDerWaalsContact ND2-OG 3.09Å; N1922-S1925 PolarHBondContact O-N 2.94Å; N1922-S1925 PolarHBondContact O-OG 3.37Å; E1923-S1925 PolarHBondContact O-N 3.1Å; S1925-I1927 PolarHBondContact O-N 3.23Å; S1925-I1927 PolarHBondContact OG-N 3.17Å
1926D60.7Low72.4Confident114 Ų11497.7 Ų97.761%0.6149%0.494SS*.THydrogen-bonded Turntrans50.829.4-168.4-152.524.5000114.4H1921 N1922H1921-D1926 IonicContact CD2-OD1 2.8Å; H1921-D1926 IonicContact CE1-OD1 3.68Å; H1921-D1926 IonicContact NE2-OD1 2.83Å; H1921-D1926 PolarHBondContact NE2-OD1 2.78Å; N1922-D1926 PolarHBondContact O-N 2.89Å; N1922-D1926 VanDerWaalsContact O-N 3.13Å
1927I68Low72.7Confident100 Ų10097 Ų9751%0.51349%0.491SS..EExtended strand (participates in β ladder)trans-100.1126.6175.7-62.2172.6000109.1N1922 S1925 T1929N1922-I1927 PolarHBondContact N-O 2.83Å; N1922-I1927 VanDerWaalsContact N-O 3.1Å; S1925-I1927 PolarHBondContact O-N 3.23Å; S1925-I1927 PolarHBondContact OG-N 3.17Å; I1927-T1929 HydrophobicContact CG2-CG2 4.01Å
1928Y72.1Confident72.9Confident146 Ų14692.8 Ų92.857%0.57346%0.461SS*.EExtended strand (participates in β ladder)trans-86.8125.5167.4-67.7-95.9000109.7H1921H1921-Y1928 HydrophobicContact CB-CD1 3.85Å; H1921-Y1928 HydrophobicContact CB-CE1 3.65Å; H1921-Y1928 AromaticContact CD2-CD1 3.91Å; H1921-Y1928 AromaticContact CD2-CD2 3.84Å; H1921-Y1928 AromaticContact CD2-CE1 3.53Å; H1921-Y1928 AromaticContact CD2-CE2 3.45Å; H1921-Y1928 VanDerWaalsContact CD2-CE2 3.45Å; H1921-Y1928 WeakPolarHBondContact CD2-CE2 3.2Å; H1921-Y1928 AromaticContact CD2-CZ 3.28Å; H1921-Y1928 AromaticContact CG-CE1 3.76Å; H1921-Y1928 AromaticContact CG-CZ 3.88Å; H1921-Y1928 AromaticContact NE2-CE2 3.91Å; H1921-Y1928 AromaticContact NE2-CZ 3.84Å
1929T73.2Confident73.1Confident70 Ų7093.2 Ų93.243%0.42947%0.468SS..EExtended strand (participates in β ladder)trans-114.8127.3176.555.80000110.7I1920 I1927I1920-T1929 PolarHBondContact N-O 3.33Å; I1920-T1929 PolarHBondContact O-N 2.99Å; I1920-T1929 PolarHBondContact O-OG1 2.96Å; I1927-T1929 HydrophobicContact CG2-CG2 4.01Å
1930I74.1Confident73.3Confident60 Ų6097.5 Ų97.531%0.30849%0.485SS..EExtended strand (participates in β ladder)trans-115.1130.9175.1-57.9168.8000106.7L1915 N1934 F1935L1915-I1930 HydrophobicContact CD1-CD1 3.78Å; L1915-I1930 HydrophobicContact CD2-CD1 4.48Å; L1915-I1930 HydrophobicContact CG-CD1 3.8Å; I1930-N1934 HydrophobicContact CG2-CB 4.17Å; I1930-F1935 HydrophobicContact CG2-CB 4.05Å
1931T79Confident73.7Confident61 Ų6195.4 Ų95.437%0.37447%0.474SS..  trans-69146.5176.966.60000110.3E1933 N1934 F1935T1931-E1933 PolarHBondContact O-N 2.81Å; T1931-N1934 PolarHBondContact O-N 3.07Å; T1931-N1934 WeakPolarHBondContact OG1-CB 3.45Å; T1931-N1934 PolarHBondContact OG1-N 3.48Å; T1931-N1934 PolarHBondContact OG1-ND2 2.82Å; T1931-N1934 PolarHBondContact OG1-OD1 3.11Å; T1931-F1935 PolarHBondContact O-N 2.88Å
1932K78.6Confident74.3Confident166 Ų16693.8 Ų93.872%0.72247%0.469SS*.Hα-helixtrans-57.7-33.9-178.7-173.4-179.9178.3-175.50112.5N1936K1932-N1936 WeakPolarHBondContact O-CB 3.4Å; K1932-N1936 VanDerWaalsContact O-CG 3.24Å; K1932-N1936 PolarHBondContact O-N 3.4Å; K1932-N1936 PolarHBondContact O-OD1 3.48Å
1933E79.8Confident74.5Confident156 Ų15692.2 Ų92.273%0.72947%0.468SS*.Hα-helixtrans-69.6-47.1178.5-66.7168.916400111.4T1931 F1935 N1936 L1937T1931-E1933 PolarHBondContact O-N 2.81Å; E1933-F1935 PolarHBondContact O-N 2.76Å; E1933-N1936 PolarHBondContact O-N 3.42Å; E1933-L1937 PolarHBondContact O-N 3.45Å
1934N80.4Confident74.7Confident50 Ų5089.3 Ų89.327%0.26746%0.457SS..Hα-helixtrans-60-46.5174.2-68.83.9000110.9H1918 I1930 T1931 N1936 L1937 I1938H1918-N1934 HydrophobicContact CB-CB 3.98Å; I1930-N1934 HydrophobicContact CG2-CB 4.17Å; T1931-N1934 PolarHBondContact O-N 3.07Å; T1931-N1934 WeakPolarHBondContact OG1-CB 3.45Å; T1931-N1934 PolarHBondContact OG1-N 3.48Å; T1931-N1934 PolarHBondContact OG1-ND2 2.82Å; T1931-N1934 PolarHBondContact OG1-OD1 3.11Å; N1934-N1936 PolarHBondContact O-N 2.99Å; N1934-L1937 PolarHBondContact O-N 3.03Å; N1934-I1938 WeakPolarHBondContact O-CD1 3.37Å; N1934-I1938 WeakPolarHBondContact O-CG1 3.3Å; N1934-I1938 PolarHBondContact O-N 3.09Å
1935F79.4Confident75.3Confident94 Ų9482 Ų8241%0.41243%0.427SS..Hα-helixtrans-59.6-45.1179-174.5-98.6000112.1L1915 I1930 T1931 E1933 L1937 I1938 V1939L1915-F1935 HydrophobicContact CD1-CD2 4.21Å; L1915-F1935 HydrophobicContact CD1-CE2 4.25Å; I1930-F1935 HydrophobicContact CG2-CB 4.05Å; T1931-F1935 PolarHBondContact O-N 2.88Å; E1933-F1935 PolarHBondContact O-N 2.76Å; F1935-L1937 PolarHBondContact O-N 3.22Å; F1935-I1938 PolarHBondContact O-N 2.65Å; F1935-V1939 HydrophobicContact CD1-CG2 4.2Å; F1935-V1939 HydrophobicContact CE1-CG2 3.82Å; F1935-V1939 HydrophobicContact CE2-CG2 4.49Å; F1935-V1939 HydrophobicContact CZ-CG2 3.98Å; F1935-V1939 WeakPolarHBondContact O-CG2 3.42Å; F1935-V1939 PolarHBondContact O-N 3.15Å
1936N78.8Confident75.7Confident82 Ų8282.2 Ų82.244%0.43943%0.426SS..Hα-helixtrans-60.6-43.1176.1-78.3-2.5000112.5K1932 E1933 N1934 I1938 V1939 Q1940K1932-N1936 WeakPolarHBondContact O-CB 3.4Å; K1932-N1936 VanDerWaalsContact O-CG 3.24Å; K1932-N1936 PolarHBondContact O-N 3.4Å; K1932-N1936 PolarHBondContact O-OD1 3.48Å; E1933-N1936 PolarHBondContact O-N 3.42Å; N1934-N1936 PolarHBondContact O-N 2.99Å; N1936-I1938 PolarHBondContact O-N 2.59Å; N1936-V1939 PolarHBondContact O-N 3.36Å; N1936-Q1940 WeakPolarHBondContact O-CG 3.23Å; N1936-Q1940 PolarHBondContact O-N 2.56Å
1937L82.2Confident75.7Confident86 Ų8681.1 Ų81.145%0.4542%0.418SS..Hα-helixtrans-61.8-43.8179-174.768.8000111.6E1933 N1934 F1935 Q1940 N1941E1933-L1937 PolarHBondContact O-N 3.45Å; N1934-L1937 PolarHBondContact O-N 3.03Å; F1935-L1937 PolarHBondContact O-N 3.22Å; L1937-Q1940 PolarHBondContact O-N 3.48Å; L1937-N1941 VanDerWaalsContact O-CG 3.3Å; L1937-N1941 PolarHBondContact O-N 3.43Å
1938I80.1Confident75.7Confident0 Ų084.1 Ų84.10%042%0.424CS..Hα-helixtrans-65.1-42.4178.6-61.6161.7000110.8F1911 Q1914 H1918 N1934 F1935 N1936 Q1940 N1941 V1942F1911-I1938 HydrophobicContact CD2-CG2 3.57Å; F1911-I1938 HydrophobicContact CE2-CG2 3.68Å; Q1914-I1938 HydrophobicContact CB-CG1 4.14Å; Q1914-I1938 HydrophobicContact CB-CG2 3.78Å; Q1914-I1938 WeakPolarHBondContact O-CD1 3.37Å; H1918-I1938 HydrophobicContact CB-CD1 3.85Å; N1934-I1938 WeakPolarHBondContact O-CD1 3.37Å; N1934-I1938 WeakPolarHBondContact O-CG1 3.3Å; N1934-I1938 PolarHBondContact O-N 3.09Å; F1935-I1938 PolarHBondContact O-N 2.65Å; N1936-I1938 PolarHBondContact O-N 2.59Å; I1938-Q1940 VanDerWaalsContact C-N 3.33Å; I1938-Q1940 PolarHBondContact O-N 2.64Å; I1938-N1941 PolarHBondContact O-N 3.08Å; I1938-V1942 WeakPolarHBondContact O-CG2 3.38Å; I1938-V1942 PolarHBondContact O-N 3.24Å
1939V77.7Confident75.6Confident67 Ų6778.6 Ų78.641%0.40641%0.405SS..Hα-helixtrans-62.4-39.7175.8170.20000111.5F1935 N1936 V1942 A1943F1935-V1939 HydrophobicContact CD1-CG2 4.2Å; F1935-V1939 HydrophobicContact CE1-CG2 3.82Å; F1935-V1939 HydrophobicContact CE2-CG2 4.49Å; F1935-V1939 HydrophobicContact CZ-CG2 3.98Å; F1935-V1939 WeakPolarHBondContact O-CG2 3.42Å; F1935-V1939 PolarHBondContact O-N 3.15Å; N1936-V1939 PolarHBondContact O-N 3.36Å; V1939-V1942 PolarHBondContact O-N 2.87Å; V1939-A1943 PolarHBondContact O-N 3.35Å
1940Q76Confident75.2Confident122 Ų12280.6 Ų80.657%0.5741%0.409SS*.Hα-helixtrans-64.8-44.2174.2-74.6-179.8-16.900112.4N1936 L1937 I1938 V1942 A1943 I1944N1936-Q1940 WeakPolarHBondContact O-CG 3.23Å; N1936-Q1940 PolarHBondContact O-N 2.56Å; L1937-Q1940 PolarHBondContact O-N 3.48Å; I1938-Q1940 VanDerWaalsContact C-N 3.33Å; I1938-Q1940 PolarHBondContact O-N 2.64Å; Q1940-V1942 VanDerWaalsContact C-N 3.31Å; Q1940-V1942 PolarHBondContact O-N 2.96Å; Q1940-A1943 PolarHBondContact O-N 3.09Å; Q1940-I1944 WeakPolarHBondContact O-CG1 3.29Å; Q1940-I1944 PolarHBondContact O-N 2.85Å
1941N80.4Confident74.5Confident58 Ų5883.4 Ų83.431%0.3142%0.419SS..Hα-helixtrans-59.1-41.9176.3-70.2-18.8000111.9Q1914 L1937 I1938 S1945Q1914-N1941 PolarHBondContact OE1-ND2 3.49Å; L1937-N1941 VanDerWaalsContact O-CG 3.3Å; L1937-N1941 PolarHBondContact O-N 3.43Å; I1938-N1941 PolarHBondContact O-N 3.08Å; N1941-S1945 WeakPolarHBondContact O-CB 3.35Å; N1941-S1945 PolarHBondContact O-N 3.39Å; N1941-S1945 PolarHBondContact O-OG 3.17Å
1942V79.5Confident73.9Confident38 Ų3884.3 Ų84.323%0.2342%0.419CS..Hα-helixtrans-64.5-44.9175.4171.70000111.5F1911 I1938 V1939 Q1940 I1944 S1945 V1946F1911-V1942 HydrophobicContact CB-CG2 3.73Å; F1911-V1942 HydrophobicContact CD2-CG2 3.47Å; F1911-V1942 VanDerWaalsContact CD2-CG2 3.47Å; F1911-V1942 HydrophobicContact CE2-CG2 4.37Å; F1911-V1942 HydrophobicContact CG-CG2 3.89Å; I1938-V1942 WeakPolarHBondContact O-CG2 3.38Å; I1938-V1942 PolarHBondContact O-N 3.24Å; V1939-V1942 PolarHBondContact O-N 2.87Å; Q1940-V1942 VanDerWaalsContact C-N 3.31Å; Q1940-V1942 PolarHBondContact O-N 2.96Å; V1942-I1944 PolarHBondContact O-N 3.38Å; V1942-S1945 PolarHBondContact O-N 2.87Å; V1942-V1946 HydrophobicContact CG1-CG2 4.13Å; V1942-V1946 WeakPolarHBondContact O-CB 3.31Å; V1942-V1946 VanDerWaalsContact O-CG2 3.29Å; V1942-V1946 WeakPolarHBondContact O-CG2 3.1Å; V1942-V1946 PolarHBondContact O-N 2.84Å
1943A71.5Confident73.1Confident51 Ų5177.1 Ų77.142%0.42139%0.389SS..Hα-helixtrans-58.2-46.9178.400000111.9V1939 Q1940 S1945 V1946 M1947V1939-A1943 PolarHBondContact O-N 3.35Å; Q1940-A1943 PolarHBondContact O-N 3.09Å; A1943-S1945 VanDerWaalsContact C-N 3.34Å; A1943-S1945 PolarHBondContact O-N 3.17Å; A1943-V1946 PolarHBondContact O-N 3.36Å; A1943-M1947 VanDerWaalsContact O-CG 3.3Å; A1943-M1947 WeakPolarHBondContact O-CG 3.32Å; A1943-M1947 PolarHBondContact O-N 3.03Å
1944I71.5Confident72.3Confident107 Ų10772.4 Ų72.455%0.54937%0.366SS..Hα-helixtrans-60.9-43.2176.1-66165.1000111.2Q1940 V1942 M1947 Y1948Q1940-I1944 WeakPolarHBondContact O-CG1 3.29Å; Q1940-I1944 PolarHBondContact O-N 2.85Å; V1942-I1944 PolarHBondContact O-N 3.38Å; I1944-M1947 PolarHBondContact O-N 3.35Å; I1944-Y1948 PolarHBondContact O-N 2.97Å
1945S75.3Confident71.4Confident40 Ų4074.6 Ų74.628%0.2838%0.375SS..Hα-helixtrans-69.9-36.5-178.1-54.40000112.3N1941 V1942 A1943 N1949N1941-S1945 WeakPolarHBondContact O-CB 3.35Å; N1941-S1945 PolarHBondContact O-N 3.39Å; N1941-S1945 PolarHBondContact O-OG 3.17Å; V1942-S1945 PolarHBondContact O-N 2.87Å; A1943-S1945 VanDerWaalsContact C-N 3.34Å; A1943-S1945 PolarHBondContact O-N 3.17Å; S1945-N1949 WeakPolarHBondContact O-CB 3.43Å; S1945-N1949 PolarHBondContact O-N 3.45Å; S1945-N1949 VanDerWaalsContact O-N 3.08Å
1946V71.7Confident70.6Confident58 Ų5874.6 Ų74.635%0.35238%0.376SS..Hα-helixtrans-63.1-48.9170.9169.60000110.3L1907 V1942 A1943 Y1948 N1949 E1950L1907-V1946 HydrophobicContact CD1-CG2 4.03Å; L1907-V1946 HydrophobicContact CD2-CG2 4.32Å; V1942-V1946 HydrophobicContact CG1-CG2 4.13Å; V1942-V1946 WeakPolarHBondContact O-CB 3.31Å; V1942-V1946 VanDerWaalsContact O-CG2 3.29Å; V1942-V1946 WeakPolarHBondContact O-CG2 3.1Å; V1942-V1946 PolarHBondContact O-N 2.84Å; A1943-V1946 PolarHBondContact O-N 3.36Å; V1946-Y1948 PolarHBondContact O-N 3.4Å; V1946-N1949 PolarHBondContact O-N 2.84Å; V1946-E1950 HydrophobicContact CG1-CG 4.28Å; V1946-E1950 WeakPolarHBondContact O-CG 3.48Å; V1946-E1950 PolarHBondContact O-N 3Å
1947M60.9Low69.7Low92 Ų9274.2 Ų74.245%0.45337%0.369SS..Hα-helixtrans-57.7-46.1178.1-74.7167.250.400112.6N1885 A1943 I1944 K1951N1885-M1947 WeakPolarHBondContact OD1-CE 3.06Å; A1943-M1947 VanDerWaalsContact O-CG 3.3Å; A1943-M1947 WeakPolarHBondContact O-CG 3.32Å; A1943-M1947 PolarHBondContact O-N 3.03Å; I1944-M1947 PolarHBondContact O-N 3.35Å; M1947-K1951 WeakPolarHBondContact O-CB 3.46Å; M1947-K1951 PolarHBondContact O-N 3.19Å; M1947-K1951 VanDerWaalsContact O-N 3.08Å
1948Y68.4Low68.6Low163 Ų16371.7 Ų71.764%0.63936%0.358SS*.Hα-helixtrans-60.1-47.7177.4-177.5-86.8000110.9I1944 V1946 K1951 E1952I1944-Y1948 PolarHBondContact O-N 2.97Å; V1946-Y1948 PolarHBondContact O-N 3.4Å; Y1948-K1951 PolarHBondContact O-N 2.88Å; Y1948-E1952 VanDerWaalsContact CE1-OE2 3.26Å; Y1948-E1952 WeakPolarHBondContact CE1-OE2 3.49Å; Y1948-E1952 PolarHBondContact O-N 3.31Å
1949N69.3Low67.8Low29 Ų2976.8 Ų76.816%0.15538%0.383CS..Hα-helixtrans-65.3-42.5-179.5-177.985.8000113.3P1905 L1907 S1945 V1946 K1951 E1952 T1953P1905-N1949 VanDerWaalsContact CG-CG 3.44Å; P1905-N1949 WeakPolarHBondContact CG-ND2 3.49Å; P1905-N1949 WeakPolarHBondContact CG-OD1 3.44Å; L1907-N1949 HydrophobicContact CD1-CB 4.38Å; S1945-N1949 WeakPolarHBondContact O-CB 3.43Å; S1945-N1949 PolarHBondContact O-N 3.45Å; S1945-N1949 VanDerWaalsContact O-N 3.08Å; V1946-N1949 PolarHBondContact O-N 2.84Å; N1949-K1951 VanDerWaalsContact C-N 3.34Å; N1949-E1952 PolarHBondContact O-N 2.69Å; N1949-T1953 WeakPolarHBondContact O-CB 3.45Å; N1949-T1953 PolarHBondContact O-N 2.85Å; N1949-T1953 PolarHBondContact O-OG1 3.03Å
1950E63.8Low67.1Low113 Ų11378 Ų7853%0.52838%0.381SS..Hα-helixtrans-65.2-37.5177.4-74.3-59.3140.800111.7V1946 T1953 F1954V1946-E1950 HydrophobicContact CG1-CG 4.28Å; V1946-E1950 WeakPolarHBondContact O-CG 3.48Å; V1946-E1950 PolarHBondContact O-N 3Å; E1950-T1953 WeakPolarHBondContact O-CB 3.45Å; E1950-T1953 PolarHBondContact O-N 2.83Å; E1950-F1954 PolarHBondContact O-N 3.21Å
1951K60.6Low66.4Low118 Ų11873.3 Ų73.351%0.51336%0.359SS..Hα-helixtrans-63.1-52.7172.9-173.5-163.9162.1-166.40111.3M1947 Y1948 N1949 T1953 F1954 E1955M1947-K1951 WeakPolarHBondContact O-CB 3.46Å; M1947-K1951 PolarHBondContact O-N 3.19Å; M1947-K1951 VanDerWaalsContact O-N 3.08Å; Y1948-K1951 PolarHBondContact O-N 2.88Å; N1949-K1951 VanDerWaalsContact C-N 3.34Å; K1951-T1953 PolarHBondContact O-N 2.86Å; K1951-F1954 PolarHBondContact O-N 2.98Å; K1951-F1954 VanDerWaalsContact O-N 3.15Å; K1951-E1955 WeakPolarHBondContact CE-OE1 3.4Å; K1951-E1955 IonicContact NZ-OE1 2.77Å; K1951-E1955 PolarHBondContact NZ-OE1 3.31Å; K1951-E1955 PolarHBondContact O-N 2.92Å
1952E66.6Low65.5Low80 Ų8075.3 Ų75.337%0.37437%0.366SS..Hα-helixtrans-58.5-39178.4-179.5172.4-174.700111.2Y1948 N1949 E1955 H1956Y1948-E1952 VanDerWaalsContact CE1-OE2 3.26Å; Y1948-E1952 WeakPolarHBondContact CE1-OE2 3.49Å; Y1948-E1952 PolarHBondContact O-N 3.31Å; N1949-E1952 PolarHBondContact O-N 2.69Å; E1952-E1955 PolarHBondContact O-N 2.85Å; E1952-H1956 PolarHBondContact O-N 3.11Å; E1952-H1956 PolarHBondContact O-ND1 3.36Å; E1952-H1956 IonicContact OE1-CE1 2.7Å
1953T61.3Low64.8Low15 Ų1577.1 Ų77.19%0.09237%0.374CS..Hα-helixtrans-58.7-48.2173.9-720000112.1V1902 N1949 E1950 K1951 H1956 Y1957V1902-T1953 HydrophobicContact CG2-CG2 4.14Å; N1949-T1953 WeakPolarHBondContact O-CB 3.45Å; N1949-T1953 PolarHBondContact O-N 2.85Å; N1949-T1953 PolarHBondContact O-OG1 3.03Å; E1950-T1953 WeakPolarHBondContact O-CB 3.45Å; E1950-T1953 PolarHBondContact O-N 2.83Å; K1951-T1953 PolarHBondContact O-N 2.86Å; T1953-H1956 PolarHBondContact O-N 3.06Å; T1953-Y1957 HydrophobicContact CG2-CD2 3.84Å; T1953-Y1957 HydrophobicContact CG2-CE2 3.38Å; T1953-Y1957 WeakPolarHBondContact O-CD2 3.32Å; T1953-Y1957 PolarHBondContact O-N 3.43Å
1954F63.2Low64.6Low58 Ų5877.6 Ų77.625%0.25437%0.37SS..Hα-helixtrans-65.2-43.2177.5179.4-91.7000112.7L1888 E1950 K1951 H1956 Y1957 S1958L1888-F1954 HydrophobicContact CD1-CG 4.34Å; L1888-F1954 HydrophobicContact CD2-CD1 3.68Å; L1888-F1954 HydrophobicContact CD2-CE1 3.94Å; L1888-F1954 HydrophobicContact CD2-CG 4.09Å; E1950-F1954 PolarHBondContact O-N 3.21Å; K1951-F1954 PolarHBondContact O-N 2.98Å; K1951-F1954 VanDerWaalsContact O-N 3.15Å; F1954-H1956 VanDerWaalsContact C-N 3.31Å; F1954-H1956 PolarHBondContact O-N 2.71Å; F1954-Y1957 PolarHBondContact O-N 2.82Å; F1954-S1958 WeakPolarHBondContact O-CB 3.47Å; F1954-S1958 PolarHBondContact O-N 2.72Å
1955E61.7Low64.4Low95 Ų9578.1 Ų78.144%0.44437%0.373SS..Hα-helixtrans-61.1-41178.5-72.1180169.200111K1951 E1952 M1959K1951-E1955 WeakPolarHBondContact CE-OE1 3.4Å; K1951-E1955 IonicContact NZ-OE1 2.77Å; K1951-E1955 PolarHBondContact NZ-OE1 3.31Å; K1951-E1955 PolarHBondContact O-N 2.92Å; E1952-E1955 PolarHBondContact O-N 2.85Å; E1955-M1959 WeakPolarHBondContact O-CB 3.31Å; E1955-M1959 PolarHBondContact O-N 3.06Å
1956H62.5Low64Low94 Ų9483 Ų8344%0.43539%0.389SS..Hα-helixtrans-63.4-43.2172.3-78.196000113.4E1952 T1953 F1954 Y1960E1952-H1956 PolarHBondContact O-N 3.11Å; E1952-H1956 PolarHBondContact O-ND1 3.36Å; E1952-H1956 IonicContact OE1-CE1 2.7Å; T1953-H1956 PolarHBondContact O-N 3.06Å; F1954-H1956 VanDerWaalsContact C-N 3.31Å; F1954-H1956 PolarHBondContact O-N 2.71Å; H1956-Y1960 WeakPolarHBondContact O-CB 3.15Å; H1956-Y1960 PolarHBondContact O-N 3.13Å
1957Y59.4Low63.9Low75 Ų7585.5 Ų85.529%0.29440%0.401SS..Hα-helixtrans-63-47.4176.4-75.4-53000112.2L1900 V1902 T1953 F1954 Y1960 Y1961L1900-Y1957 HydrophobicContact CB-CD1 3.94Å; L1900-Y1957 HydrophobicContact CB-CE1 3.84Å; L1900-Y1957 WeakPolarHBondContact O-CE1 3.09Å; V1902-Y1957 HydrophobicContact CG2-CE1 4.11Å; V1902-Y1957 HydrophobicContact CG2-CE2 4.2Å; T1953-Y1957 HydrophobicContact CG2-CD2 3.84Å; T1953-Y1957 HydrophobicContact CG2-CE2 3.38Å; T1953-Y1957 WeakPolarHBondContact O-CD2 3.32Å; T1953-Y1957 PolarHBondContact O-N 3.43Å; F1954-Y1957 PolarHBondContact O-N 2.82Å; Y1957-Y1960 PolarHBondContact O-N 3.09Å; Y1957-Y1961 WeakPolarHBondContact O-CD2 3.48Å; Y1957-Y1961 PolarHBondContact O-N 3.42Å; Y1957-Y1961 VanDerWaalsContact O-N 3.1Å
1958S60.1Low64.4Low32 Ų3286.4 Ų86.422%0.22440%0.404CS..Hα-helixtrans-59.9-49.8179.9-173.20000110.8F1954 Y1960 Y1961 E1962F1954-S1958 WeakPolarHBondContact O-CB 3.47Å; F1954-S1958 PolarHBondContact O-N 2.72Å; S1958-Y1960 VanDerWaalsContact C-N 3.3Å; S1958-Y1960 PolarHBondContact O-N 3.14Å; S1958-Y1961 PolarHBondContact O-N 3.36Å; S1958-E1962 PolarHBondContact O-N 2.8Å
1959M63.2Low64.4Low107 Ų10782.5 Ų82.553%0.52739%0.391SS..Hα-helixtrans-61.6-35.6178.4-164.6-166.3-4900112.4E1955 N1963E1955-M1959 WeakPolarHBondContact O-CB 3.31Å; E1955-M1959 PolarHBondContact O-N 3.06Å; M1959-N1963 VanDerWaalsContact O-CB 3.23Å; M1959-N1963 WeakPolarHBondContact O-CB 3.38Å; M1959-N1963 VanDerWaalsContact O-CG 3.24Å; M1959-N1963 PolarHBondContact O-N 2.96Å; M1959-N1963 PolarHBondContact O-ND2 3Å
1960Y61.3Low64.5Low92 Ų9287.5 Ų87.536%0.36141%0.413SS..Hα-helixtrans-65-47.6174.7178.6-100.6000112.3L1900 H1956 Y1957 S1958 N1963 L1964L1900-Y1960 HydrophobicContact CB-CD1 4.41Å; L1900-Y1960 HydrophobicContact CD1-CD1 4.35Å; L1900-Y1960 HydrophobicContact CD1-CD2 3.88Å; L1900-Y1960 HydrophobicContact CD1-CE1 4.23Å; L1900-Y1960 HydrophobicContact CD1-CE2 3.75Å; L1900-Y1960 HydrophobicContact CD1-CG 4.19Å; L1900-Y1960 HydrophobicContact CD2-CD1 4.47Å; L1900-Y1960 HydrophobicContact CD2-CD2 3.96Å; L1900-Y1960 HydrophobicContact CD2-CG 3.86Å; L1900-Y1960 HydrophobicContact CG-CG 4.44Å; H1956-Y1960 WeakPolarHBondContact O-CB 3.15Å; H1956-Y1960 PolarHBondContact O-N 3.13Å; Y1957-Y1960 PolarHBondContact O-N 3.09Å; S1958-Y1960 VanDerWaalsContact C-N 3.3Å; S1958-Y1960 PolarHBondContact O-N 3.14Å; Y1960-N1963 PolarHBondContact O-N 3.25Å; Y1960-L1964 HydrophobicContact CE1-CD2 4.33Å; Y1960-L1964 WeakPolarHBondContact O-CB 3.33Å; Y1960-L1964 PolarHBondContact O-N 2.94Å
1961Y62.8Low65.1Low24 Ų2487 Ų879%0.09441%0.413CS..Hα-helixtrans-70.5-37.2179.8-72.7-61.6000113.2E1898 T1899 Y1957 S1958 L1964 L1965E1898-Y1961 WeakPolarHBondContact CA-OH 3.43Å; E1898-Y1961 HydrophobicContact CB-CE1 3.85Å; E1898-Y1961 VanDerWaalsContact CB-OH 3.24Å; E1898-Y1961 WeakPolarHBondContact CB-OH 3.42Å; E1898-Y1961 PolarHBondContact O-OH 2.7Å; T1899-Y1961 PolarHBondContact N-OH 2.76Å; T1899-Y1961 VanDerWaalsContact N-OH 3.14Å; Y1957-Y1961 WeakPolarHBondContact O-CD2 3.48Å; Y1957-Y1961 PolarHBondContact O-N 3.42Å; Y1957-Y1961 VanDerWaalsContact O-N 3.1Å; S1958-Y1961 PolarHBondContact O-N 3.36Å; Y1961-L1964 PolarHBondContact O-N 3.32Å; Y1961-L1965 WeakPolarHBondContact O-CB 3.48Å; Y1961-L1965 VanDerWaalsContact O-CG 3.31Å; Y1961-L1965 WeakPolarHBondContact O-CG 3.31Å; Y1961-L1965 PolarHBondContact O-N 3.31Å
1962E59.9Low65.8Low101 Ų10186.8 Ų86.847%0.47242%0.416SS..Hα-helixtrans-64.2-41.5172.1-68.5-151.9140.600111.3R1893 S1958 K1966R1893-E1962 IonicContact NH1-OE1 2.67Å; S1958-E1962 PolarHBondContact O-N 2.8Å; E1962-K1966 WeakPolarHBondContact O-CB 3.23Å; E1962-K1966 PolarHBondContact O-N 3.24Å
1963N66.3Low66.3Low75 Ų7585.8 Ų85.840%0.40141%0.409SS..Hα-helixtrans-66.4-39175-77.8-36.6000113.2M1959 Y1960 K1966 N1967M1959-N1963 VanDerWaalsContact O-CB 3.23Å; M1959-N1963 WeakPolarHBondContact O-CB 3.38Å; M1959-N1963 VanDerWaalsContact O-CG 3.24Å; M1959-N1963 PolarHBondContact O-N 2.96Å; M1959-N1963 PolarHBondContact O-ND2 3Å; Y1960-N1963 PolarHBondContact O-N 3.25Å; N1963-K1966 PolarHBondContact O-N 3.12Å; N1963-N1967 VanDerWaalsContact O-CB 3.32Å; N1963-N1967 WeakPolarHBondContact O-CB 3.46Å; N1963-N1967 PolarHBondContact O-N 3.49Å; N1963-N1967 PolarHBondContact O-ND2 3.15Å
1964L67.3Low67.1Low61 Ų6186.1 Ų86.132%0.31941%0.414SS..Hα-helixtrans-65.5-47.1177-177.163.3000111.3Y1960 Y1961 N1967 Q1968Y1960-L1964 HydrophobicContact CE1-CD2 4.33Å; Y1960-L1964 WeakPolarHBondContact O-CB 3.33Å; Y1960-L1964 PolarHBondContact O-N 2.94Å; Y1961-L1964 PolarHBondContact O-N 3.32Å; L1964-N1967 PolarHBondContact O-N 3.2Å; L1964-Q1968 WeakPolarHBondContact O-CG 3.4Å; L1964-Q1968 PolarHBondContact O-N 3.08Å
1965L65.9Low67.8Low119 Ų11987.2 Ų87.262%0.62342%0.422SS*.Hα-helixtrans-63.7-41.3175.8-72.8168.8000111.6Y1961 Q1968 H1969Y1961-L1965 WeakPolarHBondContact O-CB 3.48Å; Y1961-L1965 VanDerWaalsContact O-CG 3.31Å; Y1961-L1965 WeakPolarHBondContact O-CG 3.31Å; Y1961-L1965 PolarHBondContact O-N 3.31Å; L1965-Q1968 PolarHBondContact O-N 3.31Å; L1965-H1969 VanDerWaalsContact O-CB 3.24Å; L1965-H1969 WeakPolarHBondContact O-CB 3.29Å; L1965-H1969 PolarHBondContact O-N 3.27Å
1966K68Low68.7Low143 Ų14387.9 Ų87.962%0.62243%0.425SS*.Hα-helixtrans-62.9-42.1176.1-173.9175.5-176.2178.50111.6E1962 N1963 H1970E1962-K1966 WeakPolarHBondContact O-CB 3.23Å; E1962-K1966 PolarHBondContact O-N 3.24Å; N1963-K1966 PolarHBondContact O-N 3.12Å; K1966-H1970 WeakPolarHBondContact O-CB 3.21Å; K1966-H1970 PolarHBondContact O-N 3.06Å
1967N69.9Low69.6Low110 Ų11085.5 Ų85.559%0.58841%0.412SS*.Hα-helixtrans-65.3-44.8175.9-74.9-13.8000112.2N1963 L1964 H1970 L1971N1963-N1967 VanDerWaalsContact O-CB 3.32Å; N1963-N1967 WeakPolarHBondContact O-CB 3.46Å; N1963-N1967 PolarHBondContact O-N 3.49Å; N1963-N1967 PolarHBondContact O-ND2 3.15Å; L1964-N1967 PolarHBondContact O-N 3.2Å; N1967-H1970 PolarHBondContact O-N 3.32Å; N1967-L1971 WeakPolarHBondContact O-CB 3.38Å; N1967-L1971 PolarHBondContact O-N 3.2Å
1968Q71.8Confident70.6Confident110 Ų11085.3 Ų85.351%0.51441%0.414SS..Hα-helixtrans-65.8-42.2177-68-64.4-17.500111.9L1964 L1965 L1971 M1972L1964-Q1968 WeakPolarHBondContact O-CG 3.4Å; L1964-Q1968 PolarHBondContact O-N 3.08Å; L1965-Q1968 PolarHBondContact O-N 3.31Å; Q1968-L1971 PolarHBondContact O-N 2.99Å; Q1968-M1972 WeakPolarHBondContact O-CG 3.31Å; Q1968-M1972 PolarHBondContact O-N 2.81Å
1969H67.4Low71.7Confident82 Ų8287.8 Ų87.838%0.3842%0.424SS..Hα-helixtrans-62.5-42.6174.5-173.382.7000111.7K676 L1965 L1971 M1972 Y1973K676-H1969 PolarHBondContact O-NE2 2.72Å; L1965-H1969 VanDerWaalsContact O-CB 3.24Å; L1965-H1969 WeakPolarHBondContact O-CB 3.29Å; L1965-H1969 PolarHBondContact O-N 3.27Å; H1969-L1971 PolarHBondContact O-N 3.29Å; H1969-M1972 PolarHBondContact O-N 3.44Å; H1969-Y1973 WeakPolarHBondContact O-CB 3.26Å; H1969-Y1973 PolarHBondContact O-N 2.94Å
1970H72.2Confident72.6Confident134 Ų13485.5 Ų85.562%0.6241%0.412SS*.Hα-helixtrans-66.5-36.3177.5-161.671.6000112.2K1966 N1967 A1974K1966-H1970 WeakPolarHBondContact O-CB 3.21Å; K1966-H1970 PolarHBondContact O-N 3.06Å; N1967-H1970 PolarHBondContact O-N 3.32Å; H1970-A1974 WeakPolarHBondContact O-CB 3.36Å; H1970-A1974 PolarHBondContact O-N 3.13Å
1971L76.2Confident73.6Confident101 Ų10181.5 Ų81.553%0.52940%0.397SS..Hα-helixtrans-67.6-45.1173.7-163.180.4000111.9N1967 Q1968 H1969 A1974 N1975N1967-L1971 WeakPolarHBondContact O-CB 3.38Å; N1967-L1971 PolarHBondContact O-N 3.2Å; Q1968-L1971 PolarHBondContact O-N 2.99Å; H1969-L1971 PolarHBondContact O-N 3.29Å; L1971-A1974 PolarHBondContact O-N 3.06Å; L1971-N1975 PolarHBondContact O-N 3.09Å; L1971-N1975 PolarHBondContact O-ND2 2.99Å
1972M75.2Confident74.6Confident114 Ų11485.4 Ų85.456%0.56242%0.419SS*.Hα-helixtrans-60.2-46.6174-77.6-175.260.300111.5Q1968 H1969 A1974 N1975 E1976Q1968-M1972 WeakPolarHBondContact O-CG 3.31Å; Q1968-M1972 PolarHBondContact O-N 2.81Å; H1969-M1972 PolarHBondContact O-N 3.44Å; M1972-A1974 PolarHBondContact O-N 3.47Å; M1972-N1975 WeakPolarHBondContact O-CB 3.4Å; M1972-N1975 PolarHBondContact O-N 2.98Å; M1972-E1976 WeakPolarHBondContact O-CG 3.5Å; M1972-E1976 PolarHBondContact O-N 3.14Å
1973Y77.5Confident75.6Confident59 Ų5987.8 Ų87.823%0.23142%0.423CS..Hα-helixtrans-61.4-44.2178.8-173.8-108.5000112.2D472 H1969 N1975 E1976 R1977D472-Y1973 HydrophobicContact CB-CE1 3.65Å; D472-Y1973 VanDerWaalsContact OD2-CE1 3.3Å; D472-Y1973 WeakPolarHBondContact OD2-CE1 3.47Å; D472-Y1973 PolarHBondContact OD2-OH 3.4Å; H1969-Y1973 WeakPolarHBondContact O-CB 3.26Å; H1969-Y1973 PolarHBondContact O-N 2.94Å; Y1973-N1975 VanDerWaalsContact C-N 3.34Å; Y1973-N1975 PolarHBondContact O-N 2.99Å; Y1973-E1976 PolarHBondContact O-N 3.32Å; Y1973-R1977 HydrophobicContact CE1-CG 4.29Å; Y1973-R1977 VanDerWaalsContact CE2-NH2 3.28Å; Y1973-R1977 WeakPolarHBondContact O-CG 3.41Å; Y1973-R1977 PolarHBondContact O-N 3.09Å; Y1973-R1977 PolarHBondContact OH-NE 2.92Å; Y1973-R1977 PolarHBondContact OH-NH2 3.45Å
1974A76.8Confident76.2Confident23 Ų2386 Ų8619%0.1941%0.414CS..Hα-helixtrans-60.2-42.8174.500000112.1T474 H1970 L1971 M1972 R1977 E1978T474-A1974 HydrophobicContact CG2-CB 4.16Å; H1970-A1974 WeakPolarHBondContact O-CB 3.36Å; H1970-A1974 PolarHBondContact O-N 3.13Å; L1971-A1974 PolarHBondContact O-N 3.06Å; M1972-A1974 PolarHBondContact O-N 3.47Å; A1974-R1977 PolarHBondContact O-N 3.43Å; A1974-E1978 PolarHBondContact O-N 2.99Å
1975N78.4Confident76.9Confident81 Ų8188.4 Ų88.443%0.43342%0.422SS..Hα-helixtrans-65.3-40.4175.9-66.9-18.6000112.1L1971 M1972 Y1973 R1977 E1978 I1979L1971-N1975 PolarHBondContact O-N 3.09Å; L1971-N1975 PolarHBondContact O-ND2 2.99Å; M1972-N1975 WeakPolarHBondContact O-CB 3.4Å; M1972-N1975 PolarHBondContact O-N 2.98Å; Y1973-N1975 VanDerWaalsContact C-N 3.34Å; Y1973-N1975 PolarHBondContact O-N 2.99Å; N1975-R1977 VanDerWaalsContact C-N 3.33Å; N1975-R1977 PolarHBondContact O-N 3.36Å; N1975-E1978 PolarHBondContact O-N 3.13Å; N1975-I1979 WeakPolarHBondContact O-CB 3.47Å; N1975-I1979 VanDerWaalsContact O-CG1 3.24Å; N1975-I1979 WeakPolarHBondContact O-CG1 3.3Å; N1975-I1979 PolarHBondContact O-N 3.49Å
1976E80Confident77.7Confident108 Ų10887.9 Ų87.951%0.50542%0.419SS..Hα-helixtrans-63.2-38.1174.6-75.4179.7176.900111.9M1972 Y1973 Q1980M1972-E1976 WeakPolarHBondContact O-CG 3.5Å; M1972-E1976 PolarHBondContact O-N 3.14Å; Y1973-E1976 PolarHBondContact O-N 3.32Å; E1976-Q1980 WeakPolarHBondContact O-CB 3.38Å; E1976-Q1980 PolarHBondContact O-N 3.22Å
1977R81.1Confident78.1Confident45 Ų4586.1 Ų86.117%0.1741%0.413CS..Hα-helixtrans-69.3-39.2174.2-65.3-57.5179.3-138.5-0.7112.8Y471 D472 Y1973 A1974 N1975 Q1980 D1981Y471-R1977 WeakPolarHBondContact O-CD 3.5Å; D472-R1977 HydrophobicContact CB-CG 4.33Å; Y1973-R1977 HydrophobicContact CE1-CG 4.29Å; Y1973-R1977 VanDerWaalsContact CE2-NH2 3.28Å; Y1973-R1977 WeakPolarHBondContact O-CG 3.41Å; Y1973-R1977 PolarHBondContact O-N 3.09Å; Y1973-R1977 PolarHBondContact OH-NE 2.92Å; Y1973-R1977 PolarHBondContact OH-NH2 3.45Å; A1974-R1977 PolarHBondContact O-N 3.43Å; N1975-R1977 VanDerWaalsContact C-N 3.33Å; N1975-R1977 PolarHBondContact O-N 3.36Å; R1977-Q1980 PolarHBondContact O-N 3.36Å; R1977-D1981 WeakPolarHBondContact O-CB 3.28Å; R1977-D1981 PolarHBondContact O-N 3.31Å
1978E81.5Confident78.3Confident71 Ų7183.9 Ų83.933%0.33240%0.399SS..Hα-helixtrans-66.8-41.3173.3-174.6162-132.500111.9K475 A1974 N1975 Q1980 D1981 L1982K475-E1978 IonicContact NZ-OE1 3.27Å; K475-E1978 PolarHBondContact NZ-OE1 2.9Å; A1974-E1978 PolarHBondContact O-N 2.99Å; N1975-E1978 PolarHBondContact O-N 3.13Å; E1978-Q1980 VanDerWaalsContact C-N 3.31Å; E1978-Q1980 PolarHBondContact O-N 2.89Å; E1978-D1981 PolarHBondContact O-N 3.31Å; E1978-L1982 HydrophobicContact CG-CD1 4.13Å; E1978-L1982 WeakPolarHBondContact O-CB 2.83Å; E1978-L1982 VanDerWaalsContact O-CG 3.26Å; E1978-L1982 WeakPolarHBondContact O-CG 3.26Å; E1978-L1982 PolarHBondContact O-N 3.45Å
1979I83.2Confident78.5Confident83 Ų8384.5 Ų84.543%0.42640%0.4SS..Hα-helixtrans-60.9-40.7174.2-71.7165.6000111.2N1975 R1983N1975-I1979 WeakPolarHBondContact O-CB 3.47Å; N1975-I1979 VanDerWaalsContact O-CG1 3.24Å; N1975-I1979 WeakPolarHBondContact O-CG1 3.3Å; N1975-I1979 PolarHBondContact O-N 3.49Å; I1979-R1983 WeakPolarHBondContact O-CG 3.46Å; I1979-R1983 PolarHBondContact O-N 2.94Å
1980Q81.9Confident78.8Confident59 Ų5985.3 Ų85.328%0.27641%0.407SS..Hα-helixtrans-69.4-43.4178.1-173.152.540.800112E1976 R1977 E1978 L1982 R1983 D1984E1976-Q1980 WeakPolarHBondContact O-CB 3.38Å; E1976-Q1980 PolarHBondContact O-N 3.22Å; R1977-Q1980 PolarHBondContact O-N 3.36Å; E1978-Q1980 VanDerWaalsContact C-N 3.31Å; E1978-Q1980 PolarHBondContact O-N 2.89Å; Q1980-L1982 VanDerWaalsContact C-N 3.29Å; Q1980-L1982 PolarHBondContact O-N 3.43Å; Q1980-R1983 WeakPolarHBondContact O-CB 3.37Å; Q1980-R1983 PolarHBondContact O-N 2.91Å; Q1980-R1983 VanDerWaalsContact O-N 3.13Å; Q1980-D1984 VanDerWaalsContact NE2-CG 3.26Å; Q1980-D1984 PolarHBondContact NE2-OD1 3.36Å; Q1980-D1984 PolarHBondContact NE2-OD2 3.5Å; Q1980-D1984 WeakPolarHBondContact O-CB 3.45Å; Q1980-D1984 PolarHBondContact O-N 3Å
1981D83.2Confident78.8Confident8 Ų882.7 Ų82.74%0.04340%0.397CS..Hα-helixtrans-60-38.1175.9-165.975.3000112.3T470 H473 R1977 E1978 K1985T470-D1981 WeakPolarHBondContact CB-OD1 3.32Å; T470-D1981 HydrophobicContact CG2-CB 4.5Å; T470-D1981 PolarHBondContact N-OD1 3.42Å; T470-D1981 VanDerWaalsContact OG1-CA 3.27Å; T470-D1981 WeakPolarHBondContact OG1-CA 3.41Å; T470-D1981 VanDerWaalsContact OG1-CB 3.28Å; T470-D1981 WeakPolarHBondContact OG1-CB 3.43Å; T470-D1981 PolarHBondContact OG1-OD1 3.05Å; H473-D1981 IonicContact CE1-OD2 2.7Å; H473-D1981 IonicContact NE2-OD2 3.28Å; R1977-D1981 WeakPolarHBondContact O-CB 3.28Å; R1977-D1981 PolarHBondContact O-N 3.31Å; E1978-D1981 PolarHBondContact O-N 3.31Å; D1981-K1985 WeakPolarHBondContact O-CB 3.48Å; D1981-K1985 WeakPolarHBondContact O-CG 3.45Å; D1981-K1985 PolarHBondContact O-N 3.24Å; D1981-K1985 VanDerWaalsContact OD2-CE 3.28Å; D1981-K1985 WeakPolarHBondContact OD2-CE 3.07Å; D1981-K1985 IonicContact OD2-NZ 3.74Å; D1981-K1985 PolarHBondContact OD2-NZ 2.92Å
1982L82.7Confident78.5Confident107 Ų10779.7 Ų79.756%0.5638%0.38SS*.Hα-helixtrans-68.1-39.6173.6-71170.2000112.9E1978 Q1980 L1986E1978-L1982 HydrophobicContact CG-CD1 4.13Å; E1978-L1982 WeakPolarHBondContact O-CB 2.83Å; E1978-L1982 VanDerWaalsContact O-CG 3.26Å; E1978-L1982 WeakPolarHBondContact O-CG 3.26Å; E1978-L1982 PolarHBondContact O-N 3.45Å; Q1980-L1982 VanDerWaalsContact C-N 3.29Å; Q1980-L1982 PolarHBondContact O-N 3.43Å; L1982-L1986 WeakPolarHBondContact O-CB 3.33Å; L1982-L1986 PolarHBondContact O-N 3.41Å
1983R81.3Confident78.4Confident150 Ų15077.3 Ų77.357%0.56637%0.372SS*.Hα-helixtrans-65.1-41.2173.8-73.8169.4-178.5163.10.9112I1979 Q1980 L1986 H1987I1979-R1983 WeakPolarHBondContact O-CG 3.46Å; I1979-R1983 PolarHBondContact O-N 2.94Å; Q1980-R1983 WeakPolarHBondContact O-CB 3.37Å; Q1980-R1983 PolarHBondContact O-N 2.91Å; Q1980-R1983 VanDerWaalsContact O-N 3.13Å; R1983-L1986 WeakPolarHBondContact O-CB 3.25Å; R1983-L1986 PolarHBondContact O-N 2.74Å; R1983-H1987 WeakPolarHBondContact O-CB 3.49Å; R1983-H1987 PolarHBondContact O-N 2.93Å
1984D79.8Confident78Confident38 Ų3875.9 Ų75.920%0.20338%0.376CS..Hα-helixtrans-67.2-40.9179.1-75.5-47.9000111.2K491 Q1980 H1987 Q1988K491-D1984 WeakPolarHBondContact CE-OD2 3.47Å; K491-D1984 IonicContact NZ-OD1 3.43Å; K491-D1984 PolarHBondContact NZ-OD1 2.91Å; K491-D1984 IonicContact NZ-OD2 2.85Å; K491-D1984 PolarHBondContact NZ-OD2 2.85Å; Q1980-D1984 VanDerWaalsContact NE2-CG 3.26Å; Q1980-D1984 PolarHBondContact NE2-OD1 3.36Å; Q1980-D1984 PolarHBondContact NE2-OD2 3.5Å; Q1980-D1984 WeakPolarHBondContact O-CB 3.45Å; Q1980-D1984 PolarHBondContact O-N 3Å; D1984-H1987 PolarHBondContact O-N 3.38Å; D1984-Q1988 WeakPolarHBondContact O-CB 3.46Å; D1984-Q1988 PolarHBondContact O-N 3.33Å
1985K81.1Confident77.5Confident111 Ų11175.4 Ų75.448%0.48337%0.37SS..Hα-helixtrans-64.3-37.3171.5-76.8166.6177.3166.50113D1981 K1989D1981-K1985 WeakPolarHBondContact O-CB 3.48Å; D1981-K1985 WeakPolarHBondContact O-CG 3.45Å; D1981-K1985 PolarHBondContact O-N 3.24Å; D1981-K1985 VanDerWaalsContact OD2-CE 3.28Å; D1981-K1985 WeakPolarHBondContact OD2-CE 3.07Å; D1981-K1985 IonicContact OD2-NZ 3.74Å; D1981-K1985 PolarHBondContact OD2-NZ 2.92Å; K1985-K1989 WeakPolarHBondContact O-CB 3.43Å; K1985-K1989 VanDerWaalsContact O-CG 3.31Å; K1985-K1989 WeakPolarHBondContact O-CG 3.29Å; K1985-K1989 PolarHBondContact O-N 3.35Å
1986L82Confident76.9Confident109 Ų10972.6 Ų72.657%0.57136%0.356SS*.Hα-helixtrans-63.7-54.3173.5-171.875.6000110.8L1982 R1983 Q1988 K1989 D1990L1982-L1986 WeakPolarHBondContact O-CB 3.33Å; L1982-L1986 PolarHBondContact O-N 3.41Å; R1983-L1986 WeakPolarHBondContact O-CB 3.25Å; R1983-L1986 PolarHBondContact O-N 2.74Å; L1986-Q1988 VanDerWaalsContact C-N 3.28Å; L1986-Q1988 PolarHBondContact O-N 2.92Å; L1986-K1989 CarbonylContact O-C 3.58Å; L1986-K1989 WeakPolarHBondContact O-CA 3.49Å; L1986-K1989 PolarHBondContact O-N 2.9Å; L1986-D1990 PolarHBondContact O-N 3.05Å
1987H76.6Confident76.3Confident105 Ų10569 Ų6949%0.48634%0.342SS..Hα-helixtrans-59.1-39.3178.9-178-0.9000111.8R1983 D1984 D1990 L1991R1983-H1987 WeakPolarHBondContact O-CB 3.49Å; R1983-H1987 PolarHBondContact O-N 2.93Å; D1984-H1987 PolarHBondContact O-N 3.38Å; H1987-D1990 PolarHBondContact O-N 3.44Å; H1987-L1991 VanDerWaalsContact O-CB 3.29Å; H1987-L1991 WeakPolarHBondContact O-CB 3.31Å; H1987-L1991 PolarHBondContact O-N 2.72Å
1988Q75.3Confident75.5Confident64 Ų6471.2 Ų71.230%0.29935%0.354SS..Hα-helixtrans-64.5-38.4175-179.458.528.100111.7D1984 L1986 L1991 E1992D1984-Q1988 WeakPolarHBondContact O-CB 3.46Å; D1984-Q1988 PolarHBondContact O-N 3.33Å; L1986-Q1988 VanDerWaalsContact C-N 3.28Å; L1986-Q1988 PolarHBondContact O-N 2.92Å; Q1988-L1991 PolarHBondContact O-N 3.46Å; Q1988-E1992 WeakPolarHBondContact CG-OE1 3.23Å; Q1988-E1992 PolarHBondContact NE2-OE1 3.15Å; Q1988-E1992 WeakPolarHBondContact O-CB 3.38Å; Q1988-E1992 VanDerWaalsContact O-CG 3.24Å; Q1988-E1992 WeakPolarHBondContact O-CG 3.07Å; Q1988-E1992 PolarHBondContact O-N 3.42Å
1989K74.1Confident74.6Confident123 Ų12369 Ų6954%0.53534%0.343SS..Hα-helixtrans-70.3-37.7174-73.2-71.4162.3-155.10112.8K1985 L1986 L1991 E1992 T1993K1985-K1989 WeakPolarHBondContact O-CB 3.43Å; K1985-K1989 VanDerWaalsContact O-CG 3.31Å; K1985-K1989 WeakPolarHBondContact O-CG 3.29Å; K1985-K1989 PolarHBondContact O-N 3.35Å; L1986-K1989 CarbonylContact O-C 3.58Å; L1986-K1989 WeakPolarHBondContact O-CA 3.49Å; L1986-K1989 PolarHBondContact O-N 2.9Å; K1989-L1991 VanDerWaalsContact C-N 3.32Å; K1989-E1992 WeakPolarHBondContact CE-OE2 3.43Å; K1989-E1992 IonicContact NZ-OE2 2.72Å; K1989-E1992 PolarHBondContact NZ-OE2 2.92Å; K1989-T1993 VanDerWaalsContact O-CB 3.27Å; K1989-T1993 WeakPolarHBondContact O-CB 3.47Å; K1989-T1993 PolarHBondContact O-N 2.9Å; K1989-T1993 PolarHBondContact O-OG1 2.8Å
1990D75.2Confident73.7Confident98 Ų9866.4 Ų66.452%0.52433%0.329SS..Hα-helixtrans-63.9-39.8173.2-66.3-31.6000111L1986 H1987 G1994L1986-D1990 PolarHBondContact O-N 3.05Å; H1987-D1990 PolarHBondContact O-N 3.44Å; D1990-G1994 PolarHBondContact O-N 2.8Å
1991L71.1Confident72.8Confident80 Ų8066 Ų6642%0.41933%0.328SS..Hα-helixtrans-69.1-47.1176.1-176.763.3000111.8H1987 Q1988 K1989 T1993 G1994 T1995H1987-L1991 VanDerWaalsContact O-CB 3.29Å; H1987-L1991 WeakPolarHBondContact O-CB 3.31Å; H1987-L1991 PolarHBondContact O-N 2.72Å; Q1988-L1991 PolarHBondContact O-N 3.46Å; K1989-L1991 VanDerWaalsContact C-N 3.32Å; L1991-T1993 VanDerWaalsContact C-N 3.29Å; L1991-T1993 PolarHBondContact O-N 2.81Å; L1991-G1994 PolarHBondContact O-N 3.27Å; L1991-T1995 VanDerWaalsContact O-CB 3.24Å; L1991-T1995 WeakPolarHBondContact O-CB 3.41Å; L1991-T1995 PolarHBondContact O-N 3.05Å; L1991-T1995 PolarHBondContact O-OG1 3.21Å
1992E70.7Confident71.8Confident37 Ų3766.1 Ų66.117%0.17333%0.33CS..Hα-helixtrans-57.3-43.6174.1-77.7167.9-163.800111.2R537 Q1988 K1989 T1996R537-E1992 WeakPolarHBondContact CD-OE1 3.47Å; R537-E1992 IonicContact CZ-OE1 2.69Å; R537-E1992 IonicContact NE-OE1 3.83Å; R537-E1992 IonicContact NH1-OE1 2.87Å; R537-E1992 PolarHBondContact NH1-OE1 3.01Å; Q1988-E1992 WeakPolarHBondContact CG-OE1 3.23Å; Q1988-E1992 PolarHBondContact NE2-OE1 3.15Å; Q1988-E1992 WeakPolarHBondContact O-CB 3.38Å; Q1988-E1992 VanDerWaalsContact O-CG 3.24Å; Q1988-E1992 WeakPolarHBondContact O-CG 3.07Å; Q1988-E1992 PolarHBondContact O-N 3.42Å; K1989-E1992 WeakPolarHBondContact CE-OE2 3.43Å; K1989-E1992 IonicContact NZ-OE2 2.72Å; K1989-E1992 PolarHBondContact NZ-OE2 2.92Å; E1992-T1996 VanDerWaalsContact O-CB 3.26Å; E1992-T1996 WeakPolarHBondContact O-CB 3.37Å; E1992-T1996 PolarHBondContact O-N 2.94Å; E1992-T1996 PolarHBondContact O-OG1 2.97Å
1993T72.7Confident70.6Confident65 Ų6564 Ų6440%0.39932%0.317SS..Hα-helixtrans-67.3-49.9178.4-54.40000111K1989 L1991 T1995 T1996 V1997K1989-T1993 VanDerWaalsContact O-CB 3.27Å; K1989-T1993 WeakPolarHBondContact O-CB 3.47Å; K1989-T1993 PolarHBondContact O-N 2.9Å; K1989-T1993 PolarHBondContact O-OG1 2.8Å; L1991-T1993 VanDerWaalsContact C-N 3.29Å; L1991-T1993 PolarHBondContact O-N 2.81Å; T1993-T1995 VanDerWaalsContact C-N 3.33Å; T1993-T1995 PolarHBondContact O-N 3.23Å; T1993-T1996 PolarHBondContact O-N 2.89Å; T1993-V1997 HydrophobicContact CG2-CG2 4.45Å; T1993-V1997 WeakPolarHBondContact O-CB 3.41Å; T1993-V1997 VanDerWaalsContact O-CG2 3.32Å; T1993-V1997 WeakPolarHBondContact O-CG2 3.45Å; T1993-V1997 PolarHBondContact O-N 2.94Å
1994G69.9Low69.8Low29 Ų2960.7 Ų60.730%0.29931%0.308SS..Hα-helixtrans-61.5-39.4178.700000113D1990 L1991 Q1998D1990-G1994 PolarHBondContact O-N 2.8Å; L1991-G1994 PolarHBondContact O-N 3.27Å; G1994-Q1998 VanDerWaalsContact O-CB 3.31Å; G1994-Q1998 WeakPolarHBondContact O-CB 3.23Å; G1994-Q1998 VanDerWaalsContact O-CG 3.24Å; G1994-Q1998 WeakPolarHBondContact O-CG 3.31Å; G1994-Q1998 PolarHBondContact O-N 2.82Å
1995T66.5Low69.1Low12 Ų1260.3 Ų60.37%0.07431%0.307CS..Hα-helixtrans-70.5-40.6176.7-47.60000110.9K532 F536 L1991 T1993 Q1998 F1999K532-T1995 HydrophobicContact CB-CG2 3.71Å; K532-T1995 HydrophobicContact CG-CG2 4.05Å; F536-T1995 HydrophobicContact CD2-CG2 4.16Å; F536-T1995 HydrophobicContact CE2-CG2 3.95Å; L1991-T1995 VanDerWaalsContact O-CB 3.24Å; L1991-T1995 WeakPolarHBondContact O-CB 3.41Å; L1991-T1995 PolarHBondContact O-N 3.05Å; L1991-T1995 PolarHBondContact O-OG1 3.21Å; T1993-T1995 VanDerWaalsContact C-N 3.33Å; T1993-T1995 PolarHBondContact O-N 3.23Å; T1995-Q1998 PolarHBondContact O-N 2.86Å; T1995-F1999 VanDerWaalsContact O-CB 3.29Å; T1995-F1999 WeakPolarHBondContact O-CB 3.45Å; T1995-F1999 PolarHBondContact O-N 3.41Å
1996T65.5Low68.2Low22 Ų2256.9 Ų56.914%0.13529%0.292CS..Hα-helixtrans-62.7-46.4174.3-58.60000111.5L586 E1992 T1993 F1999 Q2000L586-T1996 HydrophobicContact CD2-CG2 3.8Å; E1992-T1996 VanDerWaalsContact O-CB 3.26Å; E1992-T1996 WeakPolarHBondContact O-CB 3.37Å; E1992-T1996 PolarHBondContact O-N 2.94Å; E1992-T1996 PolarHBondContact O-OG1 2.97Å; T1993-T1996 PolarHBondContact O-N 2.89Å; T1996-F1999 PolarHBondContact O-N 3.1Å; T1996-Q2000 HydrophobicContact CG2-CG 4.44Å; T1996-Q2000 WeakPolarHBondContact O-CB 3.39Å; T1996-Q2000 WeakPolarHBondContact O-CG 3.45Å; T1996-Q2000 PolarHBondContact O-N 2.55Å
1997V66Low67.4Low34 Ų3454.2 Ų54.221%0.20628%0.279CS..Hα-helixtrans-61.8-46.8177169.20000110.8L586 T1993 F1999 Q2000 M2001L586-V1997 HydrophobicContact CD1-CG2 3.97Å; L586-V1997 HydrophobicContact CD2-CG2 4.07Å; T1993-V1997 HydrophobicContact CG2-CG2 4.45Å; T1993-V1997 WeakPolarHBondContact O-CB 3.41Å; T1993-V1997 VanDerWaalsContact O-CG2 3.32Å; T1993-V1997 WeakPolarHBondContact O-CG2 3.45Å; T1993-V1997 PolarHBondContact O-N 2.94Å; V1997-F1999 VanDerWaalsContact C-N 3.31Å; V1997-F1999 PolarHBondContact O-N 2.9Å; V1997-Q2000 PolarHBondContact O-N 2.64Å; V1997-M2001 HydrophobicContact CG1-CE 4.19Å; V1997-M2001 HydrophobicContact CG1-CG 4.49Å; V1997-M2001 HydrophobicContact CG1-SD 4.13Å; V1997-M2001 VanDerWaalsContact O-CB 3.29Å; V1997-M2001 WeakPolarHBondContact O-CB 3.32Å; V1997-M2001 VanDerWaalsContact O-CG 3.24Å; V1997-M2001 WeakPolarHBondContact O-CG 3.33Å; V1997-M2001 PolarHBondContact O-N 2.74Å
1998Q64.4Low66.9Low91 Ų9152.6 Ų52.643%0.42527%0.273SS..Hα-helixtrans-68-29.9179.7-73.4174.5-1.500113G1994 T1995 S2002G1994-Q1998 VanDerWaalsContact O-CB 3.31Å; G1994-Q1998 WeakPolarHBondContact O-CB 3.23Å; G1994-Q1998 VanDerWaalsContact O-CG 3.24Å; G1994-Q1998 WeakPolarHBondContact O-CG 3.31Å; G1994-Q1998 PolarHBondContact O-N 2.82Å; T1995-Q1998 PolarHBondContact O-N 2.86Å; Q1998-S2002 WeakPolarHBondContact O-CB 3.46Å; Q1998-S2002 PolarHBondContact O-N 2.97Å
1999F63.2Low66.5Low23 Ų2351 Ų5110%0.10127%0.267CS..Hα-helixtrans-76.8-44.5174.2-171.2-95000112.4L533 F536 A545 T1995 T1996 V1997 M2001 S2002 E2003L533-F1999 HydrophobicContact CB-CD2 4.41Å; L533-F1999 HydrophobicContact CB-CE2 4.14Å; L533-F1999 HydrophobicContact CD1-CD2 4.35Å; L533-F1999 HydrophobicContact CD1-CE1 4.43Å; L533-F1999 HydrophobicContact CD1-CE2 3.9Å; L533-F1999 HydrophobicContact CD1-CZ 3.97Å; L533-F1999 HydrophobicContact CD2-CE2 4.24Å; L533-F1999 HydrophobicContact CD2-CZ 4.45Å; L533-F1999 HydrophobicContact CG-CE2 4.31Å; F536-F1999 AromaticContact CE1-CD1 3.82Å; F536-F1999 HydrophobicContact CE1-CD1 3.82Å; F536-F1999 HydrophobicContact CE1-CE1 4.39Å; F536-F1999 HydrophobicContact CE1-CG 4.18Å; F536-F1999 HydrophobicContact CE2-CB 3.93Å; F536-F1999 HydrophobicContact CE2-CG 4.26Å; F536-F1999 HydrophobicContact CZ-CB 3.55Å; F536-F1999 AromaticContact CZ-CD1 3.67Å; F536-F1999 HydrophobicContact CZ-CD1 3.67Å; F536-F1999 AromaticContact CZ-CG 3.66Å; F536-F1999 HydrophobicContact CZ-CG 3.66Å; A545-F1999 HydrophobicContact CB-CE1 3.78Å; A545-F1999 HydrophobicContact CB-CZ 3.5Å; A545-F1999 VanDerWaalsContact CB-CZ 3.5Å; T1995-F1999 VanDerWaalsContact O-CB 3.29Å; T1995-F1999 WeakPolarHBondContact O-CB 3.45Å; T1995-F1999 PolarHBondContact O-N 3.41Å; T1996-F1999 PolarHBondContact O-N 3.1Å; V1997-F1999 VanDerWaalsContact C-N 3.31Å; V1997-F1999 PolarHBondContact O-N 2.9Å; F1999-M2001 VanDerWaalsContact C-N 3.29Å; F1999-M2001 PolarHBondContact O-N 3.18Å; F1999-S2002 CarbonylContact O-C 3.56Å; F1999-S2002 WeakPolarHBondContact O-CA 3.5Å; F1999-S2002 WeakPolarHBondContact O-CB 3.48Å; F1999-S2002 PolarHBondContact O-N 3.02Å; F1999-E2003 HydrophobicContact CD1-CG 4.23Å; F1999-E2003 HydrophobicContact CE1-CG 3.68Å; F1999-E2003 WeakPolarHBondContact CE1-OE1 3.46Å; F1999-E2003 HydrophobicContact CZ-CG 3.95Å; F1999-E2003 PolarHBondContact O-N 2.97Å
2000Q63.7Low66.3Low29 Ų2945.5 Ų45.514%0.13624%0.243CC..Hα-helixtrans-62.9-35.7173.3-73.9-168.8-16.300111.9N583 T1996 V1997 Q2004N583-Q2000 PolarHBondContact ND2-OE1 3.17Å; T1996-Q2000 HydrophobicContact CG2-CG 4.44Å; T1996-Q2000 WeakPolarHBondContact O-CB 3.39Å; T1996-Q2000 WeakPolarHBondContact O-CG 3.45Å; T1996-Q2000 PolarHBondContact O-N 2.55Å; V1997-Q2000 PolarHBondContact O-N 2.64Å; Q2000-Q2004 WeakPolarHBondContact O-CB 3.38Å; Q2000-Q2004 WeakPolarHBondContact O-CG 3.45Å; Q2000-Q2004 PolarHBondContact O-N 3.18Å; Q2000-Q2004 VanDerWaalsContact O-N 3.11Å
2001M63.2Low66Low50 Ų5041.5 Ų41.525%0.24622%0.221CC..Hα-helixtrans-57.7-53.4163.2-77.4174.2162.900110I580 V1997 F1999 E2003 Q2004 V2005I580-M2001 HydrophobicContact CD1-CG 4.41Å; I580-M2001 HydrophobicContact CG1-CG 4.37Å; I580-M2001 HydrophobicContact CG2-CE 3.35Å; I580-M2001 HydrophobicContact CG2-CG 3.99Å; V1997-M2001 HydrophobicContact CG1-CE 4.19Å; V1997-M2001 HydrophobicContact CG1-CG 4.49Å; V1997-M2001 HydrophobicContact CG1-SD 4.13Å; V1997-M2001 VanDerWaalsContact O-CB 3.29Å; V1997-M2001 WeakPolarHBondContact O-CB 3.32Å; V1997-M2001 VanDerWaalsContact O-CG 3.24Å; V1997-M2001 WeakPolarHBondContact O-CG 3.33Å; V1997-M2001 PolarHBondContact O-N 2.74Å; F1999-M2001 VanDerWaalsContact C-N 3.29Å; F1999-M2001 PolarHBondContact O-N 3.18Å; M2001-E2003 PolarHBondContact O-N 3.49Å; M2001-E2003 VanDerWaalsContact O-N 3.13Å; M2001-Q2004 PolarHBondContact O-N 3.26Å; M2001-Q2004 VanDerWaalsContact O-N 3.14Å; M2001-V2005 WeakPolarHBondContact O-CA 2.98Å; M2001-V2005 WeakPolarHBondContact O-CB 3.45Å; M2001-V2005 WeakPolarHBondContact O-CG2 3.33Å; M2001-V2005 PolarHBondContact O-N 3.01Å
2002S62Low65.8Low12 Ų1240.4 Ų40.48%0.08422%0.218CC..Hα-helixtrans-60.4-24.1-177.4-170.30000115.4A529 Q1998 F1999 H2006 L2009A529-S2002 WeakPolarHBondContact CB-OG 3.46Å; Q1998-S2002 WeakPolarHBondContact O-CB 3.46Å; Q1998-S2002 PolarHBondContact O-N 2.97Å; F1999-S2002 CarbonylContact O-C 3.56Å; F1999-S2002 WeakPolarHBondContact O-CA 3.5Å; F1999-S2002 WeakPolarHBondContact O-CB 3.48Å; F1999-S2002 PolarHBondContact O-N 3.02Å; S2002-H2006 WeakPolarHBondContact O-CB 3.44Å; S2002-H2006 PolarHBondContact O-N 2.89Å; S2002-L2009 WeakPolarHBondContact OG-CD1 3.46Å
2003E59.5Low65.7Low63 Ų6339.2 Ų39.229%0.29421%0.213SC..Hα-helixtrans-80.7-47.5171.5-68.1-175.112400112H548 F1999 M2001 V2005H548-E2003 IonicContact ND1-OE1 2.7Å; H548-E2003 PolarHBondContact ND1-OE1 3.12Å; F1999-E2003 HydrophobicContact CD1-CG 4.23Å; F1999-E2003 HydrophobicContact CE1-CG 3.68Å; F1999-E2003 WeakPolarHBondContact CE1-OE1 3.46Å; F1999-E2003 HydrophobicContact CZ-CG 3.95Å; F1999-E2003 PolarHBondContact O-N 2.97Å; M2001-E2003 PolarHBondContact O-N 3.49Å; M2001-E2003 VanDerWaalsContact O-N 3.13Å; E2003-V2005 VanDerWaalsContact C-N 3.33Å; E2003-V2005 PolarHBondContact O-N 3.34Å
2004Q64.1Low65.6Low79 Ų7936.1 Ų36.137%0.36919%0.194SC..Hα-helixtrans-76.6-18.5-178.6-64.8-179.129.200114Q2000 M2001Q2000-Q2004 WeakPolarHBondContact O-CB 3.38Å; Q2000-Q2004 WeakPolarHBondContact O-CG 3.45Å; Q2000-Q2004 PolarHBondContact O-N 3.18Å; Q2000-Q2004 VanDerWaalsContact O-N 3.11Å; M2001-Q2004 PolarHBondContact O-N 3.26Å; M2001-Q2004 VanDerWaalsContact O-N 3.14Å
2005V63.8Low65.6Low31 Ų3137.8 Ų37.819%0.18820%0.196CC..THydrogen-bonded Turntrans-119.317.6-172.5-169.30000109.5I580 M2001 E2003 D2007 L2008 L2009I580-V2005 HydrophobicContact CD1-CG2 4.02Å; M2001-V2005 WeakPolarHBondContact O-CA 2.98Å; M2001-V2005 WeakPolarHBondContact O-CB 3.45Å; M2001-V2005 WeakPolarHBondContact O-CG2 3.33Å; M2001-V2005 PolarHBondContact O-N 3.01Å; E2003-V2005 VanDerWaalsContact C-N 3.33Å; E2003-V2005 PolarHBondContact O-N 3.34Å; V2005-D2007 VanDerWaalsContact C-N 3.34Å; V2005-D2007 PolarHBondContact O-N 2.62Å; V2005-L2008 HydrophobicContact CG1-CB 3.47Å; V2005-L2008 VanDerWaalsContact CG1-CB 3.47Å; V2005-L2008 HydrophobicContact CG1-CD1 3.9Å; V2005-L2008 HydrophobicContact CG1-CG 4.34Å; V2005-L2008 CarbonylContact O-C 3.6Å; V2005-L2008 PolarHBondContact O-N 3.42Å; V2005-L2009 WeakPolarHBondContact O-CG 3.37Å; V2005-L2009 PolarHBondContact O-N 3.02Å
2006H63Low65.7Low38 Ų3841.6 Ų41.618%0.17621%0.209CC..Hα-helixtrans-56.9-44.3-177.3-166.677.1000112.8S2002 L2008 L2009 L2010S2002-H2006 WeakPolarHBondContact O-CB 3.44Å; S2002-H2006 PolarHBondContact O-N 2.89Å; H2006-L2008 VanDerWaalsContact C-N 3.34Å; H2006-L2008 PolarHBondContact O-N 3Å; H2006-L2009 WeakPolarHBondContact O-CB 3.35Å; H2006-L2009 PolarHBondContact O-N 3.25Å; H2006-L2009 VanDerWaalsContact O-N 3.14Å; H2006-L2010 PolarHBondContact O-N 2.76Å
2007D64.4Low66Low53 Ų5341.9 Ų41.928%0.28321%0.213SC..Hα-helixtrans-62.5-42.2178.4-59.6-6.3000111.6P557 I559 V2005 L2009 L2010 E2011P557-D2007 WeakPolarHBondContact CG-OD1 3.24Å; I559-D2007 HydrophobicContact CG1-CB 4.36Å; V2005-D2007 VanDerWaalsContact C-N 3.34Å; V2005-D2007 PolarHBondContact O-N 2.62Å; D2007-L2009 VanDerWaalsContact C-N 3.34Å; D2007-L2010 PolarHBondContact O-N 3.44Å; D2007-E2011 WeakPolarHBondContact O-CB 3.45Å; D2007-E2011 PolarHBondContact O-N 2.88Å
2008L66.5Low66.1Low72 Ų7243.7 Ų43.738%0.37722%0.217SC..Hα-helixtrans-70.7-27.4175.8-83.6160.7000112.4A562 V2005 H2006 V2012A562-L2008 HydrophobicContact CB-CD2 4.41Å; V2005-L2008 HydrophobicContact CG1-CB 3.47Å; V2005-L2008 VanDerWaalsContact CG1-CB 3.47Å; V2005-L2008 HydrophobicContact CG1-CD1 3.9Å; V2005-L2008 HydrophobicContact CG1-CG 4.34Å; V2005-L2008 CarbonylContact O-C 3.6Å; V2005-L2008 PolarHBondContact O-N 3.42Å; H2006-L2008 VanDerWaalsContact C-N 3.34Å; H2006-L2008 PolarHBondContact O-N 3Å; L2008-V2012 VanDerWaalsContact O-CB 3.28Å; L2008-V2012 WeakPolarHBondContact O-CB 3.45Å; L2008-V2012 WeakPolarHBondContact O-CG2 3.11Å; L2008-V2012 PolarHBondContact O-N 3.22Å
2009L67.5Low66.4Low31 Ų3143.4 Ų43.416%0.16222%0.217CC..Hα-helixtrans-74.9-39.6172.3-77.6164.9000111.8E525 L526 S2002 V2005 H2006 D2007 T2013E525-L2009 HydrophobicContact CB-CD2 3.63Å; E525-L2009 HydrophobicContact CG-CD2 4.2Å; L526-L2009 HydrophobicContact CD2-CB 3.95Å; L526-L2009 HydrophobicContact CD2-CD1 4.32Å; L526-L2009 HydrophobicContact CG-CB 4.42Å; S2002-L2009 WeakPolarHBondContact OG-CD1 3.46Å; V2005-L2009 WeakPolarHBondContact O-CG 3.37Å; V2005-L2009 PolarHBondContact O-N 3.02Å; H2006-L2009 WeakPolarHBondContact O-CB 3.35Å; H2006-L2009 PolarHBondContact O-N 3.25Å; H2006-L2009 VanDerWaalsContact O-N 3.14Å; D2007-L2009 VanDerWaalsContact C-N 3.34Å; L2009-T2013 VanDerWaalsContact O-CB 3.31Å; L2009-T2013 WeakPolarHBondContact O-CB 3.4Å; L2009-T2013 PolarHBondContact O-N 3.18Å; L2009-T2013 PolarHBondContact O-OG1 3.49Å
2010L69.6Low66.7Low7 Ų745.6 Ų45.64%0.03723%0.229CC..Hα-helixtrans-62-46.7169.1-72.7167.9000110.1L526 I559 I805 A809 H2006 D2007 T2013 A2014L526-L2010 HydrophobicContact CD1-CD2 3.61Å; L526-L2010 HydrophobicContact CD1-CG 4.16Å; I559-L2010 HydrophobicContact CD1-CB 3.78Å; I559-L2010 HydrophobicContact CD1-CD1 3.69Å; I559-L2010 HydrophobicContact CD1-CG 4.38Å; I805-L2010 HydrophobicContact CG2-CB 4.16Å; A809-L2010 HydrophobicContact CB-CB 4.19Å; A809-L2010 HydrophobicContact CB-CD2 3.69Å; A809-L2010 WeakPolarHBondContact CB-O 3.28Å; H2006-L2010 PolarHBondContact O-N 2.76Å; D2007-L2010 PolarHBondContact O-N 3.44Å; L2010-T2013 PolarHBondContact O-N 3.05Å; L2010-A2014 WeakPolarHBondContact O-CB 3.39Å; L2010-A2014 PolarHBondContact O-N 2.87Å
2011E68.1Low67Low14 Ų1447.1 Ų47.17%0.06524%0.236CC..Hα-helixtrans-61.7-45.9175.5-174.5168.9-135.600112.5A562 I805 D2007 T2013 A2014 L2015A562-E2011 WeakPolarHBondContact CB-OE2 3.45Å; A562-E2011 PolarHBondContact N-OE1 3.18Å; I805-E2011 HydrophobicContact CD1-CB 4Å; I805-E2011 HydrophobicContact CD1-CG 3.73Å; I805-E2011 HydrophobicContact CG1-CG 4.44Å; I805-E2011 HydrophobicContact CG2-CB 4.4Å; D2007-E2011 WeakPolarHBondContact O-CB 3.45Å; D2007-E2011 PolarHBondContact O-N 2.88Å; E2011-T2013 VanDerWaalsContact C-N 3.3Å; E2011-T2013 PolarHBondContact O-N 3.48Å; E2011-A2014 PolarHBondContact O-N 3.46Å; E2011-L2015 HydrophobicContact CG-CD1 3.76Å; E2011-L2015 HydrophobicContact CG-CG 4.1Å; E2011-L2015 VanDerWaalsContact O-CB 3.25Å; E2011-L2015 WeakPolarHBondContact O-CB 3.34Å; E2011-L2015 VanDerWaalsContact O-CG 3.22Å; E2011-L2015 WeakPolarHBondContact O-CG 3.41Å; E2011-L2015 PolarHBondContact O-N 2.88Å
2012V67.4Low67.4Low56 Ų5648.8 Ų48.834%0.33925%0.246SC..Hα-helixtrans-61.7-38175.2163.50000111.7L2008 R2016L2008-V2012 VanDerWaalsContact O-CB 3.28Å; L2008-V2012 WeakPolarHBondContact O-CB 3.45Å; L2008-V2012 WeakPolarHBondContact O-CG2 3.11Å; L2008-V2012 PolarHBondContact O-N 3.22Å; V2012-R2016 HydrophobicContact CG1-CG 4.49Å; V2012-R2016 WeakPolarHBondContact O-CB 3.42Å; V2012-R2016 WeakPolarHBondContact O-CG 3.2Å; V2012-R2016 PolarHBondContact O-N 3.35Å
2013T68.9Low68Low13 Ų1351.6 Ų51.68%0.0826%0.258CS..Hα-helixtrans-66.9-46176.5-56.30000110.7A809 L2009 L2010 E2011 R2016 A2017A809-T2013 HydrophobicContact CB-CG2 4.4Å; L2009-T2013 VanDerWaalsContact O-CB 3.31Å; L2009-T2013 WeakPolarHBondContact O-CB 3.4Å; L2009-T2013 PolarHBondContact O-N 3.18Å; L2009-T2013 PolarHBondContact O-OG1 3.49Å; L2010-T2013 PolarHBondContact O-N 3.05Å; E2011-T2013 VanDerWaalsContact C-N 3.3Å; E2011-T2013 PolarHBondContact O-N 3.48Å; T2013-R2016 PolarHBondContact O-N 3.14Å; T2013-A2017 PolarHBondContact O-N 2.84Å
2014A70.9Confident68.6Low0 Ų051.4 Ų51.40%027%0.267CS..Hα-helixtrans-64.4-42.1176.100000113L803 I805 A809 L2010 E2011 A2017 R2018L803-A2014 HydrophobicContact CD2-CB 4.46Å; I805-A2014 HydrophobicContact CB-CB 4.06Å; I805-A2014 HydrophobicContact CG1-CB 4.11Å; I805-A2014 HydrophobicContact CG2-CB 3.83Å; A809-A2014 HydrophobicContact CB-CB 4.2Å; L2010-A2014 WeakPolarHBondContact O-CB 3.39Å; L2010-A2014 PolarHBondContact O-N 2.87Å; E2011-A2014 PolarHBondContact O-N 3.46Å; A2014-A2017 PolarHBondContact O-N 2.85Å; A2014-R2018 VanDerWaalsContact O-CB 3.22Å; A2014-R2018 WeakPolarHBondContact O-CB 3.34Å; A2014-R2018 PolarHBondContact O-N 2.9Å
2015L70.1Confident69Low64 Ų6451.6 Ų51.634%0.33527%0.267SS..Hα-helixtrans-64.4-39.8174.9-73.9173.7000111L803 E2011 R2018 I2019L803-L2015 HydrophobicContact CD2-CD2 3.9Å; L803-L2015 HydrophobicContact CD2-CG 4.5Å; E2011-L2015 HydrophobicContact CG-CD1 3.76Å; E2011-L2015 HydrophobicContact CG-CG 4.1Å; E2011-L2015 VanDerWaalsContact O-CB 3.25Å; E2011-L2015 WeakPolarHBondContact O-CB 3.34Å; E2011-L2015 VanDerWaalsContact O-CG 3.22Å; E2011-L2015 WeakPolarHBondContact O-CG 3.41Å; E2011-L2015 PolarHBondContact O-N 2.88Å; L2015-R2018 PolarHBondContact O-N 2.88Å; L2015-I2019 VanDerWaalsContact O-CB 3.32Å; L2015-I2019 WeakPolarHBondContact O-CB 3.38Å; L2015-I2019 WeakPolarHBondContact O-CD1 3.49Å; L2015-I2019 WeakPolarHBondContact O-CG1 3.48Å; L2015-I2019 PolarHBondContact O-N 3.23Å
2016R69.2Low69.5Low91 Ų9155.6 Ų55.634%0.34328%0.283SS..Hα-helixtrans-62.2-45.1172.8-75.7169.6-177.9-170.27.7111.7E525 V2012 T2013 I2019 L2020E525-R2016 IonicContact OE1-CZ 3.63Å; E525-R2016 IonicContact OE1-NH1 2.87Å; E525-R2016 PolarHBondContact OE1-NH1 3.49Å; E525-R2016 IonicContact OE1-NH2 2.71Å; E525-R2016 PolarHBondContact OE1-NH2 3.41Å; V2012-R2016 HydrophobicContact CG1-CG 4.49Å; V2012-R2016 WeakPolarHBondContact O-CB 3.42Å; V2012-R2016 WeakPolarHBondContact O-CG 3.2Å; V2012-R2016 PolarHBondContact O-N 3.35Å; T2013-R2016 PolarHBondContact O-N 3.14Å; R2016-I2019 PolarHBondContact O-N 3.39Å; R2016-L2020 WeakPolarHBondContact O-CG 3.43Å; R2016-L2020 PolarHBondContact O-N 2.87Å
2017A71Confident69.8Low28 Ų2859.5 Ų59.523%0.23130%0.3CS..Hα-helixtrans-64.8-40175.900000112.1Y808 T2013 A2014 L2020 E2021Y808-A2017 HydrophobicContact CD1-CB 3.96Å; Y808-A2017 WeakPolarHBondContact O-CB 3.46Å; T2013-A2017 PolarHBondContact O-N 2.84Å; A2014-A2017 PolarHBondContact O-N 2.85Å; A2017-L2020 PolarHBondContact O-N 3.41Å; A2017-E2021 PolarHBondContact O-N 3.23Å
2018R68.2Low70.3Confident73 Ų7362 Ų6228%0.27531%0.309SS..Hα-helixtrans-68.6-35.6174.6179.456.5169.7-151.4-19112.6L803 Y808 A2014 L2015 E2021 L2022L803-R2018 HydrophobicContact CD1-CB 4.13Å; L803-R2018 HydrophobicContact CD1-CG 3.87Å; L803-R2018 HydrophobicContact CD2-CB 4.18Å; L803-R2018 HydrophobicContact CD2-CG 4.3Å; Y808-R2018 HydrophobicContact CD1-CB 4.22Å; Y808-R2018 HydrophobicContact CE1-CB 4.24Å; Y808-R2018 PolarHBondContact OH-NH1 2.83Å; A2014-R2018 VanDerWaalsContact O-CB 3.22Å; A2014-R2018 WeakPolarHBondContact O-CB 3.34Å; A2014-R2018 PolarHBondContact O-N 2.9Å; L2015-R2018 PolarHBondContact O-N 2.88Å; R2018-E2021 WeakPolarHBondContact CD-OE2 3.39Å; R2018-E2021 IonicContact CZ-OE2 2.69Å; R2018-E2021 IonicContact NE-OE2 3.82Å; R2018-E2021 IonicContact NH1-OE2 3.9Å; R2018-E2021 PolarHBondContact NH1-OE2 3.37Å; R2018-E2021 PolarHBondContact O-N 3.16Å; R2018-L2022 HydrophobicContact CG-CD1 3.95Å; R2018-L2022 HydrophobicContact CG-CG 4.28Å; R2018-L2022 VanDerWaalsContact O-CB 3.31Å; R2018-L2022 WeakPolarHBondContact O-CB 3.21Å; R2018-L2022 VanDerWaalsContact O-CG 3.24Å; R2018-L2022 WeakPolarHBondContact O-CG 3.49Å; R2018-L2022 PolarHBondContact O-N 2.92Å
2019I71.1Confident70.7Confident84 Ų8461.9 Ų61.943%0.43131%0.312SS..Hα-helixtrans-63.4-44.6172.8-75.1161.7000109.8L2015 R2016 E2021 L2022 E2023L2015-I2019 VanDerWaalsContact O-CB 3.32Å; L2015-I2019 WeakPolarHBondContact O-CB 3.38Å; L2015-I2019 WeakPolarHBondContact O-CD1 3.49Å; L2015-I2019 WeakPolarHBondContact O-CG1 3.48Å; L2015-I2019 PolarHBondContact O-N 3.23Å; R2016-I2019 PolarHBondContact O-N 3.39Å; I2019-E2021 VanDerWaalsContact C-N 3.31Å; I2019-E2021 PolarHBondContact O-N 3.21Å; I2019-L2022 CarbonylContact O-C 3.54Å; I2019-L2022 PolarHBondContact O-N 3.42Å; I2019-E2023 HydrophobicContact CG2-CG 4.45Å; I2019-E2023 WeakPolarHBondContact O-CB 3.28Å; I2019-E2023 WeakPolarHBondContact O-CG 3.43Å; I2019-E2023 PolarHBondContact O-N 3.15Å
2020L68.7Low70.9Confident69 Ų6964.6 Ų64.636%0.36132%0.324SS..Hα-helixtrans-60.2-40174.1-70.9168.2000112.2R2016 A2017 A2024R2016-L2020 WeakPolarHBondContact O-CG 3.43Å; R2016-L2020 PolarHBondContact O-N 2.87Å; A2017-L2020 PolarHBondContact O-N 3.41Å; L2020-A2024 PolarHBondContact O-N 2.91Å; L2020-A2024 VanDerWaalsContact O-N 3.13Å
2021E69.5Low71.2Confident61 Ų6166.2 Ų66.229%0.28534%0.338SS..Hα-helixtrans-68.5-38.9174.7-160.4-149.6-170.500112.6Y808 A2017 R2018 I2019 A2024 K2025Y808-E2021 HydrophobicContact CE1-CB 4.46Å; Y808-E2021 VanDerWaalsContact OH-CD 3.23Å; Y808-E2021 PolarHBondContact OH-OE1 3.38Å; Y808-E2021 PolarHBondContact OH-OE2 3.44Å; A2017-E2021 PolarHBondContact O-N 3.23Å; R2018-E2021 WeakPolarHBondContact CD-OE2 3.39Å; R2018-E2021 IonicContact CZ-OE2 2.69Å; R2018-E2021 IonicContact NE-OE2 3.82Å; R2018-E2021 IonicContact NH1-OE2 3.9Å; R2018-E2021 PolarHBondContact NH1-OE2 3.37Å; R2018-E2021 PolarHBondContact O-N 3.16Å; I2019-E2021 VanDerWaalsContact C-N 3.31Å; I2019-E2021 PolarHBondContact O-N 3.21Å; E2021-A2024 PolarHBondContact O-N 3.38Å; E2021-K2025 VanDerWaalsContact CD-CE 3.43Å; E2021-K2025 HydrophobicContact CG-CD 4.49Å; E2021-K2025 WeakPolarHBondContact O-CG 3.35Å; E2021-K2025 PolarHBondContact O-N 2.97Å; E2021-K2025 WeakPolarHBondContact OE1-CE 3.39Å; E2021-K2025 IonicContact OE1-NZ 2.72Å; E2021-K2025 PolarHBondContact OE1-NZ 3.32Å; E2021-K2025 IonicContact OE2-NZ 3.2Å; E2021-K2025 PolarHBondContact OE2-NZ 3.06Å
2022L71.7Confident71.7Confident85 Ų8569.7 Ų69.745%0.44535%0.354SS..Hα-helixtrans-70.9-35.2176.8-74.7172000112R2018 I2019 A2024 K2025 H2026R2018-L2022 HydrophobicContact CG-CD1 3.95Å; R2018-L2022 HydrophobicContact CG-CG 4.28Å; R2018-L2022 VanDerWaalsContact O-CB 3.31Å; R2018-L2022 WeakPolarHBondContact O-CB 3.21Å; R2018-L2022 VanDerWaalsContact O-CG 3.24Å; R2018-L2022 WeakPolarHBondContact O-CG 3.49Å; R2018-L2022 PolarHBondContact O-N 2.92Å; I2019-L2022 CarbonylContact O-C 3.54Å; I2019-L2022 PolarHBondContact O-N 3.42Å; L2022-A2024 VanDerWaalsContact C-N 3.33Å; L2022-K2025 PolarHBondContact O-N 3.08Å; L2022-H2026 VanDerWaalsContact O-CB 3.24Å; L2022-H2026 WeakPolarHBondContact O-CB 3.25Å; L2022-H2026 PolarHBondContact O-N 3.08Å
2023E74.1Confident72Confident72 Ų7270.3 Ų70.334%0.33636%0.358SS..Hα-helixtrans-62-41.6170-79.5-175.1-144.200111.2I2019 H2026 K2027I2019-E2023 HydrophobicContact CG2-CG 4.45Å; I2019-E2023 WeakPolarHBondContact O-CB 3.28Å; I2019-E2023 WeakPolarHBondContact O-CG 3.43Å; I2019-E2023 PolarHBondContact O-N 3.15Å; E2023-H2026 PolarHBondContact O-N 3.3Å; E2023-K2027 VanDerWaalsContact O-CD 3.29Å; E2023-K2027 WeakPolarHBondContact O-CD 3.46Å; E2023-K2027 VanDerWaalsContact O-CG 3.24Å; E2023-K2027 WeakPolarHBondContact O-CG 3.4Å; E2023-K2027 PolarHBondContact O-N 3.45Å; E2023-K2027 IonicContact OE2-NZ 3.73Å; E2023-K2027 PolarHBondContact OE2-NZ 3.4Å
2024A72.3Confident72.3Confident59 Ų5973.8 Ų73.849%0.48837%0.373SS..Hα-helixtrans-65.7-46.2175.900000111.5L2020 E2021 L2022 H2026 K2027 E2028L2020-A2024 PolarHBondContact O-N 2.91Å; L2020-A2024 VanDerWaalsContact O-N 3.13Å; E2021-A2024 PolarHBondContact O-N 3.38Å; L2022-A2024 VanDerWaalsContact C-N 3.33Å; A2024-H2026 VanDerWaalsContact C-N 3.35Å; A2024-H2026 PolarHBondContact O-N 3.34Å; A2024-K2027 PolarHBondContact O-N 3.06Å; A2024-E2028 PolarHBondContact O-N 3.07Å
2025K72.5Confident72.5Confident83 Ų8381.1 Ų81.136%0.36141%0.405SS..Hα-helixtrans-62.4-39.4174-73.2169.8-178.6169.50112.1E2021 L2022 E2028 T2029E2021-K2025 VanDerWaalsContact CD-CE 3.43Å; E2021-K2025 HydrophobicContact CG-CD 4.49Å; E2021-K2025 WeakPolarHBondContact O-CG 3.35Å; E2021-K2025 PolarHBondContact O-N 2.97Å; E2021-K2025 WeakPolarHBondContact OE1-CE 3.39Å; E2021-K2025 IonicContact OE1-NZ 2.72Å; E2021-K2025 PolarHBondContact OE1-NZ 3.32Å; E2021-K2025 IonicContact OE2-NZ 3.2Å; E2021-K2025 PolarHBondContact OE2-NZ 3.06Å; L2022-K2025 PolarHBondContact O-N 3.08Å; K2025-E2028 PolarHBondContact O-N 3.25Å; K2025-T2029 WeakPolarHBondContact O-CG2 3.47Å; K2025-T2029 PolarHBondContact O-N 2.81Å; K2025-T2029 PolarHBondContact O-OG1 3.05Å
2026H75.2Confident72.7Confident114 Ų11484.9 Ų84.953%0.52842%0.415SS..Hα-helixtrans-59.4-52.8175.6-176.2-76.9000110L2022 E2023 A2024 E2028 T2029 E2030L2022-H2026 VanDerWaalsContact O-CB 3.24Å; L2022-H2026 WeakPolarHBondContact O-CB 3.25Å; L2022-H2026 PolarHBondContact O-N 3.08Å; E2023-H2026 PolarHBondContact O-N 3.3Å; A2024-H2026 VanDerWaalsContact C-N 3.35Å; A2024-H2026 PolarHBondContact O-N 3.34Å; H2026-E2028 VanDerWaalsContact C-N 3.26Å; H2026-E2028 PolarHBondContact O-N 2.73Å; H2026-T2029 WeakPolarHBondContact CA-OG1 3.44Å; H2026-T2029 CarbonylContact O-C 3.5Å; H2026-T2029 PolarHBondContact O-N 3Å; H2026-T2029 VanDerWaalsContact O-N 3.1Å; H2026-T2029 PolarHBondContact O-OG1 3.13Å; H2026-E2030 IonicContact CE1-OE2 3.75Å; H2026-E2030 IonicContact ND1-OE2 2.8Å; H2026-E2030 WeakPolarHBondContact O-CB 3.27Å; H2026-E2030 PolarHBondContact O-N 2.93Å
2027K69.3Low73Confident121 Ų12184.4 Ų84.453%0.52642%0.422SS..Hα-helixtrans-55.6-39.1176.5-69.4158.2-169.8156.30111.8E2023 A2024 A2031E2023-K2027 VanDerWaalsContact O-CD 3.29Å; E2023-K2027 WeakPolarHBondContact O-CD 3.46Å; E2023-K2027 VanDerWaalsContact O-CG 3.24Å; E2023-K2027 WeakPolarHBondContact O-CG 3.4Å; E2023-K2027 PolarHBondContact O-N 3.45Å; E2023-K2027 IonicContact OE2-NZ 3.73Å; E2023-K2027 PolarHBondContact OE2-NZ 3.4Å; A2024-K2027 PolarHBondContact O-N 3.06Å; K2027-A2031 PolarHBondContact O-N 3.24Å; K2027-A2031 VanDerWaalsContact O-N 3.09Å
2028E74.8Confident72.9Confident105 Ų10591.2 Ų91.249%0.49144%0.442SS..Hα-helixtrans-66.9-49173.7-158.3-156.7139.100112.5A2024 K2025 H2026 E2030 A2031 Q2032A2024-E2028 PolarHBondContact O-N 3.07Å; K2025-E2028 PolarHBondContact O-N 3.25Å; H2026-E2028 VanDerWaalsContact C-N 3.26Å; H2026-E2028 PolarHBondContact O-N 2.73Å; E2028-E2030 VanDerWaalsContact C-N 3.27Å; E2028-E2030 PolarHBondContact O-N 3.16Å; E2028-A2031 WeakPolarHBondContact O-CB 3.45Å; E2028-A2031 PolarHBondContact O-N 3.41Å; E2028-A2031 VanDerWaalsContact O-N 3.17Å; E2028-Q2032 WeakPolarHBondContact O-CG 3.31Å; E2028-Q2032 PolarHBondContact O-N 3.07Å; E2028-Q2032 PolarHBondContact OE1-NE2 3.01Å
2029T74.4Confident73.2Confident70 Ų7094.1 Ų94.143%0.42946%0.456SS..Hα-helixtrans-63.4-33.7178.158.60000112.4K2025 H2026 Q2032 V2033K2025-T2029 WeakPolarHBondContact O-CG2 3.47Å; K2025-T2029 PolarHBondContact O-N 2.81Å; K2025-T2029 PolarHBondContact O-OG1 3.05Å; H2026-T2029 WeakPolarHBondContact CA-OG1 3.44Å; H2026-T2029 CarbonylContact O-C 3.5Å; H2026-T2029 PolarHBondContact O-N 3Å; H2026-T2029 VanDerWaalsContact O-N 3.1Å; H2026-T2029 PolarHBondContact O-OG1 3.13Å; T2029-Q2032 CarbonylContact O-C 3.54Å; T2029-Q2032 WeakPolarHBondContact O-CB 3.34Å; T2029-Q2032 PolarHBondContact O-N 3.49Å; T2029-V2033 WeakPolarHBondContact O-CB 3.48Å; T2029-V2033 WeakPolarHBondContact O-CG2 3.46Å; T2029-V2033 PolarHBondContact O-N 3.42Å
2030E72.8Confident73.3Confident87 Ų8795.7 Ų95.741%0.40746%0.462SS..Hα-helixtrans-63.5-47.1173.3-163.7-16514000110.2H2026 E2028 Q2032 V2033 Q2034H2026-E2030 IonicContact CE1-OE2 3.75Å; H2026-E2030 IonicContact ND1-OE2 2.8Å; H2026-E2030 WeakPolarHBondContact O-CB 3.27Å; H2026-E2030 PolarHBondContact O-N 2.93Å; E2028-E2030 VanDerWaalsContact C-N 3.27Å; E2028-E2030 PolarHBondContact O-N 3.16Å; E2030-Q2032 VanDerWaalsContact C-N 3.27Å; E2030-Q2032 PolarHBondContact O-N 3.36Å; E2030-V2033 CarbonylContact O-C 3.45Å; E2030-V2033 PolarHBondContact O-N 2.85Å; E2030-V2033 VanDerWaalsContact O-N 3.09Å; E2030-Q2034 WeakPolarHBondContact O-CB 3.38Å; E2030-Q2034 VanDerWaalsContact O-CG 3.31Å; E2030-Q2034 WeakPolarHBondContact O-CG 3.25Å; E2030-Q2034 PolarHBondContact O-N 3.2Å; E2030-Q2034 PolarHBondContact OE1-NE2 3.46Å
2031A75.8Confident73.4Confident41 Ų4197.4 Ų97.434%0.33947%0.471SS..Hα-helixtrans-61-33.7173.300000112.8K2027 E2028 K2035K2027-A2031 PolarHBondContact O-N 3.24Å; K2027-A2031 VanDerWaalsContact O-N 3.09Å; E2028-A2031 WeakPolarHBondContact O-CB 3.45Å; E2028-A2031 PolarHBondContact O-N 3.41Å; E2028-A2031 VanDerWaalsContact O-N 3.17Å; A2031-K2035 VanDerWaalsContact O-CG 3.3Å; A2031-K2035 WeakPolarHBondContact O-CG 3.44Å; A2031-K2035 PolarHBondContact O-N 2.86Å; A2031-K2035 VanDerWaalsContact O-N 3.11Å
2032Q76.9Confident73.7Confident87 Ų8798.3 Ų98.341%0.40748%0.478SS..Hα-helixtrans-71.6-35.8172.5-65-178.322.700112.8E2028 T2029 E2030 R2036E2028-Q2032 WeakPolarHBondContact O-CG 3.31Å; E2028-Q2032 PolarHBondContact O-N 3.07Å; E2028-Q2032 PolarHBondContact OE1-NE2 3.01Å; T2029-Q2032 CarbonylContact O-C 3.54Å; T2029-Q2032 WeakPolarHBondContact O-CB 3.34Å; T2029-Q2032 PolarHBondContact O-N 3.49Å; E2030-Q2032 VanDerWaalsContact C-N 3.27Å; E2030-Q2032 PolarHBondContact O-N 3.36Å; Q2032-R2036 PolarHBondContact O-N 3.19Å
2033V73.7Confident73.8Confident69 Ų6997.7 Ų97.742%0.41848%0.475SS..Hα-helixtrans-69.6-45.8174.4167.40000110.4T2029 E2030 K2035 R2036 V2037T2029-V2033 WeakPolarHBondContact O-CB 3.48Å; T2029-V2033 WeakPolarHBondContact O-CG2 3.46Å; T2029-V2033 PolarHBondContact O-N 3.42Å; E2030-V2033 CarbonylContact O-C 3.45Å; E2030-V2033 PolarHBondContact O-N 2.85Å; E2030-V2033 VanDerWaalsContact O-N 3.09Å; V2033-K2035 VanDerWaalsContact C-N 3.27Å; V2033-K2035 PolarHBondContact O-N 3.45Å; V2033-R2036 CarbonylContact O-C 3.47Å; V2033-R2036 WeakPolarHBondContact O-CA 3.3Å; V2033-R2036 WeakPolarHBondContact O-CB 3.31Å; V2033-R2036 PolarHBondContact O-N 3.23Å; V2033-V2037 HydrophobicContact CG1-CG2 4.22Å; V2033-V2037 WeakPolarHBondContact O-CG2 3.48Å; V2033-V2037 PolarHBondContact O-N 3.02Å
2034Q75.3Confident73.8Confident86 Ų8697.5 Ų97.540%0.40248%0.481SS..Hα-helixtrans-56.8-40173.4-69.218022.400111.5E2030 V2037 R2038E2030-Q2034 WeakPolarHBondContact O-CB 3.38Å; E2030-Q2034 VanDerWaalsContact O-CG 3.31Å; E2030-Q2034 WeakPolarHBondContact O-CG 3.25Å; E2030-Q2034 PolarHBondContact O-N 3.2Å; E2030-Q2034 PolarHBondContact OE1-NE2 3.46Å; Q2034-V2037 PolarHBondContact O-N 3.43Å; Q2034-R2038 WeakPolarHBondContact O-CG 3.34Å; Q2034-R2038 PolarHBondContact O-N 2.69Å
2035K75.7Confident73.7Confident154 Ų15498 Ų9867%0.6748%0.475SS*.Hα-helixtrans-64.1-37.6172.1-76.6171.2-176.6172.80113A2031 V2033 K2039A2031-K2035 VanDerWaalsContact O-CG 3.3Å; A2031-K2035 WeakPolarHBondContact O-CG 3.44Å; A2031-K2035 PolarHBondContact O-N 2.86Å; A2031-K2035 VanDerWaalsContact O-N 3.11Å; V2033-K2035 VanDerWaalsContact C-N 3.27Å; V2033-K2035 PolarHBondContact O-N 3.45Å; K2035-K2039 PolarHBondContact O-N 2.93Å
2036R75.4Confident73.7Confident143 Ų143100.1 Ų100.154%0.5448%0.481SS..Hα-helixtrans-66.1-49172.6-98.5-176.5-78.7178.2-5.3112.1Q2032 V2033 R2038 K2039 E2040Q2032-R2036 PolarHBondContact O-N 3.19Å; V2033-R2036 CarbonylContact O-C 3.47Å; V2033-R2036 WeakPolarHBondContact O-CA 3.3Å; V2033-R2036 WeakPolarHBondContact O-CB 3.31Å; V2033-R2036 PolarHBondContact O-N 3.23Å; R2036-R2038 VanDerWaalsContact C-N 3.33Å; R2036-R2038 PolarHBondContact O-N 3.21Å; R2036-K2039 CarbonylContact O-C 3.53Å; R2036-K2039 WeakPolarHBondContact O-CA 3.48Å; R2036-K2039 WeakPolarHBondContact O-CB 3.04Å; R2036-K2039 PolarHBondContact O-N 3.16Å; R2036-E2040 PolarHBondContact O-N 3.45Å
2037V73.7Confident73.6Confident81 Ų81101.6 Ų101.649%0.49149%0.486SS..Hα-helixtrans-59.5-42.1178.4172.80000111.3V2033 Q2034 K2039 E2040 L2041V2033-V2037 HydrophobicContact CG1-CG2 4.22Å; V2033-V2037 WeakPolarHBondContact O-CG2 3.48Å; V2033-V2037 PolarHBondContact O-N 3.02Å; Q2034-V2037 PolarHBondContact O-N 3.43Å; V2037-K2039 VanDerWaalsContact C-N 3.32Å; V2037-K2039 PolarHBondContact O-N 3.3Å; V2037-E2040 PolarHBondContact O-N 3.02Å; V2037-L2041 VanDerWaalsContact O-CB 3.29Å; V2037-L2041 WeakPolarHBondContact O-CB 3.48Å; V2037-L2041 PolarHBondContact O-N 2.96Å
2038R70.7Confident73.8Confident171 Ų171101.6 Ų101.665%0.64549%0.491SS*.Hα-helixtrans-58.8-41.9172.5-72.8-179.5-164.1-1478.5112.2Q2034 R2036 L2041 D2042Q2034-R2038 WeakPolarHBondContact O-CG 3.34Å; Q2034-R2038 PolarHBondContact O-N 2.69Å; R2036-R2038 VanDerWaalsContact C-N 3.33Å; R2036-R2038 PolarHBondContact O-N 3.21Å; R2038-L2041 PolarHBondContact O-N 3.07Å; R2038-D2042 PolarHBondContact O-N 3.4Å
2039K73.4Confident73.4Confident134 Ų134102.8 Ų102.858%0.58349%0.494SS*.Hα-helixtrans-68.5-40.2177.5-172.5-175.7175.7-1730112.8K2035 R2036 V2037 L2041 D2042 D2043K2035-K2039 PolarHBondContact O-N 2.93Å; R2036-K2039 CarbonylContact O-C 3.53Å; R2036-K2039 WeakPolarHBondContact O-CA 3.48Å; R2036-K2039 WeakPolarHBondContact O-CB 3.04Å; R2036-K2039 PolarHBondContact O-N 3.16Å; V2037-K2039 VanDerWaalsContact C-N 3.32Å; V2037-K2039 PolarHBondContact O-N 3.3Å; K2039-L2041 VanDerWaalsContact C-N 3.33Å; K2039-D2042 WeakPolarHBondContact O-CB 3.4Å; K2039-D2042 PolarHBondContact O-N 3.39Å; K2039-D2043 PolarHBondContact O-N 3Å
2040E74.4Confident73.5Confident117 Ų117101.3 Ų101.355%0.54749%0.493SS..Hα-helixtrans-68.9-33.6176.3-72.7170.9-163.600111.7R2036 V2037 S2044R2036-E2040 PolarHBondContact O-N 3.45Å; V2037-E2040 PolarHBondContact O-N 3.02Å; E2040-S2044 WeakPolarHBondContact O-CB 3.28Å; E2040-S2044 PolarHBondContact O-N 2.93Å; E2040-S2044 PolarHBondContact O-OG 3.3Å
2041L69.8Low73.5Confident106 Ų106101.1 Ų101.156%0.55549%0.494SS*.Hα-helixtrans-64.6-48169.2-164.982.8000110.8V2037 R2038 K2039 D2043 S2044 I2045V2037-L2041 VanDerWaalsContact O-CB 3.29Å; V2037-L2041 WeakPolarHBondContact O-CB 3.48Å; V2037-L2041 PolarHBondContact O-N 2.96Å; R2038-L2041 PolarHBondContact O-N 3.07Å; K2039-L2041 VanDerWaalsContact C-N 3.33Å; L2041-D2043 PolarHBondContact O-N 3.03Å; L2041-S2044 CarbonylContact O-C 3.48Å; L2041-S2044 PolarHBondContact O-N 3.32Å; L2041-I2045 HydrophobicContact CD2-CD1 4.12Å; L2041-I2045 HydrophobicContact CG-CD1 3.9Å; L2041-I2045 WeakPolarHBondContact O-CB 3.13Å; L2041-I2045 VanDerWaalsContact O-CG1 3.26Å; L2041-I2045 WeakPolarHBondContact O-CG1 3.15Å; L2041-I2045 PolarHBondContact O-N 3.01Å
2042D75.3Confident73.2Confident79 Ų79102.3 Ų102.342%0.42250%0.5SS..Hα-helixtrans-57.4-47.5175.2-84.7-9.7000112.1R2038 K2039 S2044 I2045 R2046R2038-D2042 PolarHBondContact O-N 3.4Å; K2039-D2042 WeakPolarHBondContact O-CB 3.4Å; K2039-D2042 PolarHBondContact O-N 3.39Å; D2042-S2044 VanDerWaalsContact C-N 3.3Å; D2042-S2044 PolarHBondContact O-N 3.14Å; D2042-I2045 PolarHBondContact O-N 3.46Å; D2042-R2046 WeakPolarHBondContact O-CB 3.44Å; D2042-R2046 WeakPolarHBondContact O-CG 3.49Å; D2042-R2046 PolarHBondContact O-N 3.3Å
2043D75.5Confident73Confident73 Ų73105.2 Ų105.239%0.3951%0.512SS..Hα-helixtrans-66.8-32.1177.9-82-31.1000111.7K2039 L2041 K2047K2039-D2043 PolarHBondContact O-N 3Å; L2041-D2043 PolarHBondContact O-N 3.03Å; D2043-K2047 WeakPolarHBondContact O-CG 3.41Å; D2043-K2047 PolarHBondContact O-N 3.37Å
2044S72.5Confident73Confident67 Ų67108.2 Ų108.247%0.46952%0.521SS..Hα-helixtrans-73.3-38.5174.3-60.70000112.5E2040 L2041 D2042 K2047 L2048E2040-S2044 WeakPolarHBondContact O-CB 3.28Å; E2040-S2044 PolarHBondContact O-N 2.93Å; E2040-S2044 PolarHBondContact O-OG 3.3Å; L2041-S2044 CarbonylContact O-C 3.48Å; L2041-S2044 PolarHBondContact O-N 3.32Å; D2042-S2044 VanDerWaalsContact C-N 3.3Å; D2042-S2044 PolarHBondContact O-N 3.14Å; S2044-K2047 PolarHBondContact O-N 3.03Å; S2044-L2048 WeakPolarHBondContact O-CB 3.34Å; S2044-L2048 PolarHBondContact O-N 3.25Å
2045I70.9Confident72.8Confident70 Ų70109.7 Ų109.736%0.35953%0.528SS..Hα-helixtrans-63.8-43.1172-73.1166.5000109.8L2041 D2042 K2047 L2048 F2049L2041-I2045 HydrophobicContact CD2-CD1 4.12Å; L2041-I2045 HydrophobicContact CG-CD1 3.9Å; L2041-I2045 WeakPolarHBondContact O-CB 3.13Å; L2041-I2045 VanDerWaalsContact O-CG1 3.26Å; L2041-I2045 WeakPolarHBondContact O-CG1 3.15Å; L2041-I2045 PolarHBondContact O-N 3.01Å; D2042-I2045 PolarHBondContact O-N 3.46Å; I2045-K2047 PolarHBondContact O-N 2.92Å; I2045-L2048 PolarHBondContact O-N 2.82Å; I2045-F2049 HydrophobicContact CG2-CD2 3.68Å; I2045-F2049 HydrophobicContact CG2-CE2 3.49Å; I2045-F2049 VanDerWaalsContact CG2-CE2 3.49Å; I2045-F2049 VanDerWaalsContact O-CD2 3.23Å; I2045-F2049 WeakPolarHBondContact O-CD2 2.88Å; I2045-F2049 PolarHBondContact O-N 2.78Å
2046R71.6Confident72.7Confident127 Ų127108.3 Ų108.348%0.47952%0.522SS..Hα-helixtrans-60.3-42.9173.2-71.1169.4-157.6-127.17.7111.9D2042 G2050D2042-R2046 WeakPolarHBondContact O-CB 3.44Å; D2042-R2046 WeakPolarHBondContact O-CG 3.49Å; D2042-R2046 PolarHBondContact O-N 3.3Å; R2046-G2050 PolarHBondContact O-N 3.47Å
2047K74.4Confident72.5Confident146 Ų146104.5 Ų104.564%0.63552%0.517SS*.Hα-helixtrans-62.5-44.7173-76.8173.7-179.1175.70112.1D2043 S2044 I2045 F2049 G2050 I2051D2043-K2047 WeakPolarHBondContact O-CG 3.41Å; D2043-K2047 PolarHBondContact O-N 3.37Å; S2044-K2047 PolarHBondContact O-N 3.03Å; I2045-K2047 PolarHBondContact O-N 2.92Å; K2047-F2049 PolarHBondContact O-N 3.5Å; K2047-G2050 PolarHBondContact O-N 3.39Å; K2047-G2050 VanDerWaalsContact O-N 3.15Å; K2047-I2051 WeakPolarHBondContact O-CG1 3.2Å; K2047-I2051 PolarHBondContact O-N 3.21Å
2048L72.4Confident72.3Confident120 Ų120103.6 Ų103.663%0.62851%0.514SS*.Hα-helixtrans-63-41.2178.8-173.767.4000111.5S2044 I2045 S2052S2044-L2048 WeakPolarHBondContact O-CB 3.34Å; S2044-L2048 PolarHBondContact O-N 3.25Å; I2045-L2048 PolarHBondContact O-N 2.82Å; L2048-S2052 WeakPolarHBondContact O-CB 3.16Å; L2048-S2052 PolarHBondContact O-N 3.15Å
2049F67.9Low72.5Confident130 Ų130100.3 Ų100.357%0.5751%0.508SS*.Hα-helixtrans-61.8-44.7170.7-81.8-60.5000111.9I2045 K2047 S2052 F2053I2045-F2049 HydrophobicContact CG2-CD2 3.68Å; I2045-F2049 HydrophobicContact CG2-CE2 3.49Å; I2045-F2049 VanDerWaalsContact CG2-CE2 3.49Å; I2045-F2049 VanDerWaalsContact O-CD2 3.23Å; I2045-F2049 WeakPolarHBondContact O-CD2 2.88Å; I2045-F2049 PolarHBondContact O-N 2.78Å; K2047-F2049 PolarHBondContact O-N 3.5Å; F2049-S2052 PolarHBondContact O-N 3.27Å; F2049-F2053 VanDerWaalsContact O-CD2 3.25Å; F2049-F2053 WeakPolarHBondContact O-CD2 3.34Å; F2049-F2053 PolarHBondContact O-N 2.99Å
2050G75.8Confident72.5Confident39 Ų3997.1 Ų97.140%0.40250%0.497SS..Hα-helixtrans-56.3-52.6175.300000112.6R2046 K2047 S2052 F2053 E2054R2046-G2050 PolarHBondContact O-N 3.47Å; K2047-G2050 PolarHBondContact O-N 3.39Å; K2047-G2050 VanDerWaalsContact O-N 3.15Å; G2050-S2052 VanDerWaalsContact C-N 3.3Å; G2050-S2052 PolarHBondContact O-N 2.66Å; G2050-F2053 PolarHBondContact O-N 3.15Å; G2050-E2054 WeakPolarHBondContact O-CB 3.35Å; G2050-E2054 PolarHBondContact O-N 2.62Å
2051I72.8Confident72.3Confident84 Ų8495.7 Ų95.743%0.43149%0.491SS..Hα-helixtrans-61.9-37.3177-65.9164.7000111K2047 E2054 Q2055K2047-I2051 WeakPolarHBondContact O-CG1 3.2Å; K2047-I2051 PolarHBondContact O-N 3.21Å; I2051-E2054 PolarHBondContact O-N 3.18Å; I2051-Q2055 HydrophobicContact CG2-CG 4.2Å; I2051-Q2055 VanDerWaalsContact O-CB 3.26Å; I2051-Q2055 WeakPolarHBondContact O-CB 3.22Å; I2051-Q2055 VanDerWaalsContact O-CG 3.27Å; I2051-Q2055 WeakPolarHBondContact O-CG 3.25Å; I2051-Q2055 PolarHBondContact O-N 2.8Å
2052S69.6Low72.2Confident66 Ų6698.6 Ų98.646%0.46250%0.496SS..Hα-helixtrans-66.5-39.8176.2-174.20000112.3L2048 F2049 G2050 K2056L2048-S2052 WeakPolarHBondContact O-CB 3.16Å; L2048-S2052 PolarHBondContact O-N 3.15Å; F2049-S2052 PolarHBondContact O-N 3.27Å; G2050-S2052 VanDerWaalsContact C-N 3.3Å; G2050-S2052 PolarHBondContact O-N 2.66Å; S2052-K2056 WeakPolarHBondContact O-CB 3.42Å; S2052-K2056 PolarHBondContact O-N 3.14Å
2053F72.9Confident72.1Confident147 Ų147103.2 Ų103.265%0.64551%0.507SS*.Hα-helixtrans-66.6-39.4171.9-85.5-70.1000112.4F2049 G2050 K2056 S2057F2049-F2053 VanDerWaalsContact O-CD2 3.25Å; F2049-F2053 WeakPolarHBondContact O-CD2 3.34Å; F2049-F2053 PolarHBondContact O-N 2.99Å; G2050-F2053 PolarHBondContact O-N 3.15Å; F2053-K2056 PolarHBondContact O-N 3.26Å; F2053-S2057 PolarHBondContact O-N 3.03Å
2054E73.7Confident71.9Confident132 Ų132103 Ų10362%0.61751%0.506SS*.Hα-helixtrans-69-46.9178.4-170167.2-127.600111.6G2050 I2051 K2056 S2057 C2058G2050-E2054 WeakPolarHBondContact O-CB 3.35Å; G2050-E2054 PolarHBondContact O-N 2.62Å; I2051-E2054 PolarHBondContact O-N 3.18Å; E2054-K2056 VanDerWaalsContact C-N 3.29Å; E2054-K2056 PolarHBondContact O-N 3.11Å; E2054-S2057 WeakPolarHBondContact O-CB 3.39Å; E2054-S2057 PolarHBondContact O-N 2.79Å; E2054-S2057 VanDerWaalsContact O-N 3.13Å; E2054-C2058 PolarHBondContact O-N 2.69Å; E2054-C2058 PolarHBondContact O-SG 2.68Å
2055Q70.6Confident71.9Confident117 Ų117104.8 Ų104.855%0.54751%0.507SS..Hα-helixtrans-57.2-41.2169.7-77-179.7-8.200111.7I2051 C2058 I2059I2051-Q2055 HydrophobicContact CG2-CG 4.2Å; I2051-Q2055 VanDerWaalsContact O-CB 3.26Å; I2051-Q2055 WeakPolarHBondContact O-CB 3.22Å; I2051-Q2055 VanDerWaalsContact O-CG 3.27Å; I2051-Q2055 WeakPolarHBondContact O-CG 3.25Å; I2051-Q2055 PolarHBondContact O-N 2.8Å; Q2055-C2058 PolarHBondContact O-N 2.61Å; Q2055-I2059 WeakPolarHBondContact O-CB 3.47Å; Q2055-I2059 WeakPolarHBondContact O-CD1 3.36Å; Q2055-I2059 WeakPolarHBondContact O-CG1 3.38Å; Q2055-I2059 PolarHBondContact O-N 2.96Å
2056K73.8Confident72.1Confident125 Ų125106.8 Ų106.854%0.54352%0.517SS..Hα-helixtrans-65.7-39.5175.8-174.4173.1-179.4178.20112S2052 F2053 E2054 I2059 D2060S2052-K2056 WeakPolarHBondContact O-CB 3.42Å; S2052-K2056 PolarHBondContact O-N 3.14Å; F2053-K2056 PolarHBondContact O-N 3.26Å; E2054-K2056 VanDerWaalsContact C-N 3.29Å; E2054-K2056 PolarHBondContact O-N 3.11Å; K2056-I2059 PolarHBondContact O-N 3.39Å; K2056-D2060 WeakPolarHBondContact O-CB 3.33Å; K2056-D2060 PolarHBondContact O-N 3.29Å
2057S70.1Confident72.2Confident64 Ų64106.2 Ų106.245%0.44852%0.519SS..Hα-helixtrans-61.6-47.9172.7-165.80000111F2053 E2054 I2059 D2060 E2061F2053-S2057 PolarHBondContact O-N 3.03Å; E2054-S2057 WeakPolarHBondContact O-CB 3.39Å; E2054-S2057 PolarHBondContact O-N 2.79Å; E2054-S2057 VanDerWaalsContact O-N 3.13Å; S2057-I2059 PolarHBondContact O-N 3.04Å; S2057-D2060 PolarHBondContact O-N 3.24Å; S2057-E2061 WeakPolarHBondContact O-CB 3.47Å; S2057-E2061 WeakPolarHBondContact O-CG 3.39Å; S2057-E2061 PolarHBondContact O-N 3.09Å
2058C71.4Confident72.1Confident61 Ų61102 Ų10241%0.41251%0.51SS..Hα-helixtrans-61.2-40.9174.9-71.80000112.3E2054 Q2055 E2061 Y2062E2054-C2058 PolarHBondContact O-N 2.69Å; E2054-C2058 PolarHBondContact O-SG 2.68Å; Q2055-C2058 PolarHBondContact O-N 2.61Å; C2058-E2061 PolarHBondContact O-N 2.98Å; C2058-Y2062 WeakPolarHBondContact O-CB 3.39Å; C2058-Y2062 VanDerWaalsContact O-CD2 3.25Å; C2058-Y2062 WeakPolarHBondContact O-CD2 3.4Å; C2058-Y2062 PolarHBondContact O-N 3.21Å
2059I74.1Confident72.2Confident103 Ų103101.1 Ų101.153%0.52851%0.506SS..Hα-helixtrans-64.9-44.6176-73.7164.2000110.5Q2055 K2056 S2057 E2061 Y2062 R2063Q2055-I2059 WeakPolarHBondContact O-CB 3.47Å; Q2055-I2059 WeakPolarHBondContact O-CD1 3.36Å; Q2055-I2059 WeakPolarHBondContact O-CG1 3.38Å; Q2055-I2059 PolarHBondContact O-N 2.96Å; K2056-I2059 PolarHBondContact O-N 3.39Å; S2057-I2059 PolarHBondContact O-N 3.04Å; I2059-E2061 VanDerWaalsContact C-N 3.35Å; I2059-Y2062 PolarHBondContact O-N 3.36Å; I2059-R2063 VanDerWaalsContact O-CB 3.23Å; I2059-R2063 WeakPolarHBondContact O-CB 3.23Å; I2059-R2063 PolarHBondContact O-N 2.68Å
2060D72.7Confident72.6Confident67 Ų6798.1 Ų98.136%0.35850%0.498SS..Hα-helixtrans-68.5-32.5176.8-78.6-33.2000111.6K2056 S2057 R2063 N2064K2056-D2060 WeakPolarHBondContact O-CB 3.33Å; K2056-D2060 PolarHBondContact O-N 3.29Å; S2057-D2060 PolarHBondContact O-N 3.24Å; D2060-R2063 PolarHBondContact O-N 2.9Å; D2060-N2064 WeakPolarHBondContact O-CB 3.4Å; D2060-N2064 VanDerWaalsContact O-CG 3.25Å; D2060-N2064 PolarHBondContact O-N 2.93Å; D2060-N2064 PolarHBondContact O-ND2 3.19Å
2061E70.5Confident72.4Confident87 Ų87100.6 Ų100.641%0.40750%0.502SS..Hα-helixtrans-68.3-46170.3-73.9-167.216500112.1S2057 C2058 I2059 R2063 N2064 Q2065 R2128S2057-E2061 WeakPolarHBondContact O-CB 3.47Å; S2057-E2061 WeakPolarHBondContact O-CG 3.39Å; S2057-E2061 PolarHBondContact O-N 3.09Å; C2058-E2061 PolarHBondContact O-N 2.98Å; I2059-E2061 VanDerWaalsContact C-N 3.35Å; E2061-R2063 PolarHBondContact O-N 3.46Å; E2061-N2064 PolarHBondContact O-N 2.82Å; E2061-Q2065 WeakPolarHBondContact O-CB 3.42Å; E2061-Q2065 WeakPolarHBondContact O-CG 3.43Å; E2061-Q2065 PolarHBondContact O-N 2.87Å; E2061-R2128 IonicContact OE1-NH2 2.68Å; E2061-R2128 PolarHBondContact OE1-NH2 2.92Å
2062Y68.7Low72.4Confident167 Ų167102.1 Ų102.166%0.65551%0.507SS*.Hα-helixtrans-57.7-37.2169.9-90.9-66.8000112C2058 I2059 L2066C2058-Y2062 WeakPolarHBondContact O-CB 3.39Å; C2058-Y2062 VanDerWaalsContact O-CD2 3.25Å; C2058-Y2062 WeakPolarHBondContact O-CD2 3.4Å; C2058-Y2062 PolarHBondContact O-N 3.21Å; I2059-Y2062 PolarHBondContact O-N 3.36Å; Y2062-L2066 WeakPolarHBondContact O-CB 3.41Å; Y2062-L2066 PolarHBondContact O-N 2.78Å
2063R73.2Confident72.7Confident176 Ų176106.1 Ų106.166%0.66451%0.512SS*.Hα-helixtrans-71-37.1178.1-153175.7-164.1-179.24.8111.7I2059 D2060 E2061 K2067I2059-R2063 VanDerWaalsContact O-CB 3.23Å; I2059-R2063 WeakPolarHBondContact O-CB 3.23Å; I2059-R2063 PolarHBondContact O-N 2.68Å; D2060-R2063 PolarHBondContact O-N 2.9Å; E2061-R2063 PolarHBondContact O-N 3.46Å; R2063-K2067 WeakPolarHBondContact O-CB 3.32Å; R2063-K2067 PolarHBondContact O-N 3.03Å
2064N71.1Confident72.8Confident69 Ų69103.2 Ų103.237%0.36950%0.502SS..Hα-helixtrans-70-42.7173-75.7-52.4000111.6D2060 E2061 K2067 A2068D2060-N2064 WeakPolarHBondContact O-CB 3.4Å; D2060-N2064 VanDerWaalsContact O-CG 3.25Å; D2060-N2064 PolarHBondContact O-N 2.93Å; D2060-N2064 PolarHBondContact O-ND2 3.19Å; E2061-N2064 PolarHBondContact O-N 2.82Å; N2064-K2067 PolarHBondContact O-N 2.81Å; N2064-A2068 VanDerWaalsContact O-CB 3.32Å; N2064-A2068 WeakPolarHBondContact O-CB 3.36Å; N2064-A2068 PolarHBondContact O-N 3.18Å
2065Q72.8Confident72.7Confident104 Ų10499.5 Ų99.549%0.48649%0.494SS..Hα-helixtrans-62-50.6173.4-73.1177.51100111E2061 K2067 A2068 I2069E2061-Q2065 WeakPolarHBondContact O-CB 3.42Å; E2061-Q2065 WeakPolarHBondContact O-CG 3.43Å; E2061-Q2065 PolarHBondContact O-N 2.87Å; Q2065-K2067 VanDerWaalsContact C-N 3.29Å; Q2065-K2067 PolarHBondContact O-N 3.38Å; Q2065-A2068 CarbonylContact O-C 3.23Å; Q2065-A2068 PolarHBondContact O-N 3.31Å; Q2065-A2068 VanDerWaalsContact O-N 3.12Å; Q2065-I2069 WeakPolarHBondContact O-CB 3.21Å; Q2065-I2069 VanDerWaalsContact O-CG1 3.25Å; Q2065-I2069 WeakPolarHBondContact O-CG1 3.13Å; Q2065-I2069 PolarHBondContact O-N 3.46Å
2066L73.3Confident72.8Confident111 Ų11197 Ų9758%0.58148%0.482SS*.Hα-helixtrans-59.6-39.9177-174.569.1000111.3Y2062 T2070Y2062-L2066 WeakPolarHBondContact O-CB 3.41Å; Y2062-L2066 PolarHBondContact O-N 2.78Å; L2066-T2070 VanDerWaalsContact O-CB 3.24Å; L2066-T2070 WeakPolarHBondContact O-CB 3.44Å; L2066-T2070 PolarHBondContact O-N 3.41Å; L2066-T2070 PolarHBondContact O-OG1 3.37Å
2067K73.7Confident72.7Confident116 Ų11695.3 Ų95.350%0.50448%0.478SS..Hα-helixtrans-68.1-38.1175.4-169.7176.3-176.4-177.40112.1R2063 N2064 Q2065 L2071R2063-K2067 WeakPolarHBondContact O-CB 3.32Å; R2063-K2067 PolarHBondContact O-N 3.03Å; N2064-K2067 PolarHBondContact O-N 2.81Å; Q2065-K2067 VanDerWaalsContact C-N 3.29Å; Q2065-K2067 PolarHBondContact O-N 3.38Å; K2067-L2071 HydrophobicContact CG-CD1 4.23Å; K2067-L2071 WeakPolarHBondContact O-CB 3.47Å; K2067-L2071 VanDerWaalsContact O-CG 3.23Å; K2067-L2071 WeakPolarHBondContact O-CG 3.3Å; K2067-L2071 PolarHBondContact O-N 3.38Å
2068A73.1Confident72.7Confident56 Ų5698.3 Ų98.346%0.46348%0.483SS..Hα-helixtrans-66.5-48.1174.100000111.5N2064 Q2065 T2070 L2071 Q2072N2064-A2068 VanDerWaalsContact O-CB 3.32Å; N2064-A2068 WeakPolarHBondContact O-CB 3.36Å; N2064-A2068 PolarHBondContact O-N 3.18Å; Q2065-A2068 CarbonylContact O-C 3.23Å; Q2065-A2068 PolarHBondContact O-N 3.31Å; Q2065-A2068 VanDerWaalsContact O-N 3.12Å; A2068-T2070 VanDerWaalsContact C-N 3.32Å; A2068-T2070 PolarHBondContact O-N 3.25Å; A2068-L2071 PolarHBondContact O-N 3.18Å; A2068-Q2072 WeakPolarHBondContact O-CB 3.37Å; A2068-Q2072 PolarHBondContact O-N 3.48Å
2069I74.9Confident72.7Confident103 Ų10399.8 Ų99.853%0.52848%0.484SS..Hα-helixtrans-59.5-42.1174.5-67.5163.5000110.5Q2065 Q2072 R2073Q2065-I2069 WeakPolarHBondContact O-CB 3.21Å; Q2065-I2069 VanDerWaalsContact O-CG1 3.25Å; Q2065-I2069 WeakPolarHBondContact O-CG1 3.13Å; Q2065-I2069 PolarHBondContact O-N 3.46Å; I2069-Q2072 PolarHBondContact O-N 3.49Å; I2069-R2073 VanDerWaalsContact O-CB 3.26Å; I2069-R2073 WeakPolarHBondContact O-CB 3.46Å; I2069-R2073 PolarHBondContact O-N 3.37Å
2070T75.1Confident72.5Confident67 Ų67101.1 Ų101.141%0.41149%0.488SS..Hα-helixtrans-68.2-40.7177.6-56.10000111.5L2066 A2068 R2073 I2074L2066-T2070 VanDerWaalsContact O-CB 3.24Å; L2066-T2070 WeakPolarHBondContact O-CB 3.44Å; L2066-T2070 PolarHBondContact O-N 3.41Å; L2066-T2070 PolarHBondContact O-OG1 3.37Å; A2068-T2070 VanDerWaalsContact C-N 3.32Å; A2068-T2070 PolarHBondContact O-N 3.25Å; T2070-R2073 PolarHBondContact O-N 3.04Å; T2070-I2074 HydrophobicContact CG2-CD1 3.94Å; T2070-I2074 WeakPolarHBondContact O-CB 3.49Å; T2070-I2074 WeakPolarHBondContact O-CD1 3.36Å; T2070-I2074 VanDerWaalsContact O-CG1 3.22Å; T2070-I2074 WeakPolarHBondContact O-CG1 3.36Å; T2070-I2074 PolarHBondContact O-N 2.86Å
2071L73.3Confident72.4Confident91 Ų91100.5 Ų100.548%0.47649%0.493SS..Hα-helixtrans-67.6-39.5175.2-75.1169.1000112.1K2067 A2068 I2074 A2075K2067-L2071 HydrophobicContact CG-CD1 4.23Å; K2067-L2071 WeakPolarHBondContact O-CB 3.47Å; K2067-L2071 VanDerWaalsContact O-CG 3.23Å; K2067-L2071 WeakPolarHBondContact O-CG 3.3Å; K2067-L2071 PolarHBondContact O-N 3.38Å; A2068-L2071 PolarHBondContact O-N 3.18Å; L2071-I2074 PolarHBondContact O-N 2.93Å; L2071-A2075 WeakPolarHBondContact O-CB 3.47Å; L2071-A2075 PolarHBondContact O-N 2.93Å
2072Q72.5Confident72.1Confident115 Ų11598.2 Ų98.254%0.53749%0.486SS..Hα-helixtrans-61.3-46.6170.7176.8177.9-20.600110.1A2068 I2069 I2074 A2075 E2076A2068-Q2072 WeakPolarHBondContact O-CB 3.37Å; A2068-Q2072 PolarHBondContact O-N 3.48Å; I2069-Q2072 PolarHBondContact O-N 3.49Å; Q2072-I2074 VanDerWaalsContact C-N 3.31Å; Q2072-I2074 PolarHBondContact O-N 2.84Å; Q2072-A2075 CarbonylContact O-C 3.59Å; Q2072-A2075 WeakPolarHBondContact O-CA 3.44Å; Q2072-A2075 WeakPolarHBondContact O-CB 3.39Å; Q2072-A2075 PolarHBondContact O-N 3.23Å; Q2072-E2076 HydrophobicContact CG-CG 4.29Å; Q2072-E2076 WeakPolarHBondContact CG-OE1 3.28Å; Q2072-E2076 PolarHBondContact NE2-OE1 3.37Å; Q2072-E2076 WeakPolarHBondContact O-CB 3.45Å; Q2072-E2076 WeakPolarHBondContact O-CG 3.42Å; Q2072-E2076 PolarHBondContact O-N 3.29Å
2073R75.1Confident72Confident151 Ų15193.4 Ų93.457%0.5747%0.474SS*.Hα-helixtrans-66.5-32.2179.4-158.657.8161-168.50.8112.5I2069 T2070 E2076 I2077I2069-R2073 VanDerWaalsContact O-CB 3.26Å; I2069-R2073 WeakPolarHBondContact O-CB 3.46Å; I2069-R2073 PolarHBondContact O-N 3.37Å; T2070-R2073 PolarHBondContact O-N 3.04Å; R2073-E2076 WeakPolarHBondContact CD-OE2 3.48Å; R2073-E2076 IonicContact CZ-OE2 2.71Å; R2073-E2076 IonicContact NE-OE2 2.64Å; R2073-E2076 IonicContact NH1-OE2 2.72Å; R2073-E2076 PolarHBondContact NH1-OE2 3.44Å; R2073-I2077 HydrophobicContact CG-CD1 4.04Å; R2073-I2077 VanDerWaalsContact O-CB 3.24Å; R2073-I2077 WeakPolarHBondContact O-CB 3.38Å; R2073-I2077 WeakPolarHBondContact O-CD1 3.24Å; R2073-I2077 WeakPolarHBondContact O-CG1 3.21Å; R2073-I2077 PolarHBondContact O-N 3.36Å
2074I74.9Confident71.5Confident85 Ų8588.1 Ų88.144%0.43646%0.457SS..Hα-helixtrans-69.9-34.6170.5-71.4165.1000111.2T2070 L2071 Q2072 K2078T2070-I2074 HydrophobicContact CG2-CD1 3.94Å; T2070-I2074 WeakPolarHBondContact O-CB 3.49Å; T2070-I2074 WeakPolarHBondContact O-CD1 3.36Å; T2070-I2074 VanDerWaalsContact O-CG1 3.22Å; T2070-I2074 WeakPolarHBondContact O-CG1 3.36Å; T2070-I2074 PolarHBondContact O-N 2.86Å; L2071-I2074 PolarHBondContact O-N 2.93Å; Q2072-I2074 VanDerWaalsContact C-N 3.31Å; Q2072-I2074 PolarHBondContact O-N 2.84Å; I2074-K2078 VanDerWaalsContact O-CB 3.27Å; I2074-K2078 WeakPolarHBondContact O-CB 3.49Å; I2074-K2078 WeakPolarHBondContact O-CG 3.18Å; I2074-K2078 PolarHBondContact O-N 3.43Å
2075A72.6Confident70.9Confident54 Ų5490.5 Ų90.545%0.44647%0.467SS..Hα-helixtrans-69.7-47.1173.200000111.4L2071 Q2072 K2078 E2079L2071-A2075 WeakPolarHBondContact O-CB 3.47Å; L2071-A2075 PolarHBondContact O-N 2.93Å; Q2072-A2075 CarbonylContact O-C 3.59Å; Q2072-A2075 WeakPolarHBondContact O-CA 3.44Å; Q2072-A2075 WeakPolarHBondContact O-CB 3.39Å; Q2072-A2075 PolarHBondContact O-N 3.23Å; A2075-K2078 PolarHBondContact O-N 3Å; A2075-E2079 WeakPolarHBondContact O-CB 3.1Å; A2075-E2079 PolarHBondContact O-N 2.69Å
2076E72.2Confident70.3Confident65 Ų6589.7 Ų89.730%0.30447%0.466SS..Hα-helixtrans-56-50.2172.6-72.1170.2-176.600110.9Q2072 R2073 K2078 E2079 E2080Q2072-E2076 HydrophobicContact CG-CG 4.29Å; Q2072-E2076 WeakPolarHBondContact CG-OE1 3.28Å; Q2072-E2076 PolarHBondContact NE2-OE1 3.37Å; Q2072-E2076 WeakPolarHBondContact O-CB 3.45Å; Q2072-E2076 WeakPolarHBondContact O-CG 3.42Å; Q2072-E2076 PolarHBondContact O-N 3.29Å; R2073-E2076 WeakPolarHBondContact CD-OE2 3.48Å; R2073-E2076 IonicContact CZ-OE2 2.71Å; R2073-E2076 IonicContact NE-OE2 2.64Å; R2073-E2076 IonicContact NH1-OE2 2.72Å; R2073-E2076 PolarHBondContact NH1-OE2 3.44Å; E2076-K2078 VanDerWaalsContact C-N 3.35Å; E2076-K2078 PolarHBondContact O-N 3.3Å; E2076-E2079 PolarHBondContact O-N 2.93Å; E2076-E2080 WeakPolarHBondContact O-CB 3.38Å; E2076-E2080 PolarHBondContact O-N 2.72Å
2077I71.1Confident69.8Low90 Ų9091 Ų9146%0.46246%0.463SS..Hα-helixtrans-66.2-34.2177.9-70.6166.6000111.7R2073 A2081R2073-I2077 HydrophobicContact CG-CD1 4.04Å; R2073-I2077 VanDerWaalsContact O-CB 3.24Å; R2073-I2077 WeakPolarHBondContact O-CB 3.38Å; R2073-I2077 WeakPolarHBondContact O-CD1 3.24Å; R2073-I2077 WeakPolarHBondContact O-CG1 3.21Å; R2073-I2077 PolarHBondContact O-N 3.36Å; I2077-A2081 WeakPolarHBondContact O-CB 3.13Å; I2077-A2081 PolarHBondContact O-N 3.3Å
2078K70.7Confident69Low127 Ų12790 Ų9055%0.55246%0.462SS*.Hα-helixtrans-67.4-38.4172.1-87.4-175.3171.1-171.70112.1I2074 A2075 E2076 S2082I2074-K2078 VanDerWaalsContact O-CB 3.27Å; I2074-K2078 WeakPolarHBondContact O-CB 3.49Å; I2074-K2078 WeakPolarHBondContact O-CG 3.18Å; I2074-K2078 PolarHBondContact O-N 3.43Å; A2075-K2078 PolarHBondContact O-N 3Å; E2076-K2078 VanDerWaalsContact C-N 3.35Å; E2076-K2078 PolarHBondContact O-N 3.3Å; K2078-S2082 VanDerWaalsContact O-CB 3.27Å; K2078-S2082 WeakPolarHBondContact O-CB 3.13Å; K2078-S2082 PolarHBondContact O-N 2.73Å; K2078-S2082 PolarHBondContact O-OG 2.91Å
2079E72Confident68.1Low92 Ų9291.8 Ų91.843%0.4346%0.46SS..Hα-helixtrans-72.3-48.4179.7-164.3145.2-103.100110A2075 E2076 A2081 S2082 T2083 Y2106A2075-E2079 WeakPolarHBondContact O-CB 3.1Å; A2075-E2079 PolarHBondContact O-N 2.69Å; E2076-E2079 PolarHBondContact O-N 2.93Å; E2079-A2081 PolarHBondContact O-N 2.9Å; E2079-S2082 CarbonylContact O-C 3.6Å; E2079-S2082 WeakPolarHBondContact O-CA 3.36Å; E2079-S2082 WeakPolarHBondContact O-CB 3.3Å; E2079-S2082 PolarHBondContact O-N 3.17Å; E2079-S2082 PolarHBondContact O-OG 3.31Å; E2079-T2083 WeakPolarHBondContact O-CG2 3.48Å; E2079-T2083 PolarHBondContact O-N 3.01Å; E2079-T2083 PolarHBondContact O-OG1 2.98Å; E2079-Y2106 WeakPolarHBondContact OE1-CE2 3.36Å; E2079-Y2106 PolarHBondContact OE1-OH 3.05Å
2080E69.8Low67.2Low130 Ų13094.2 Ų94.261%0.60747%0.469SS*.Hα-helixtrans-54.7-51.9171.2-174.9172.4-141.900111.2E2076 S2082 T2083 E2084E2076-E2080 WeakPolarHBondContact O-CB 3.38Å; E2076-E2080 PolarHBondContact O-N 2.72Å; E2080-S2082 VanDerWaalsContact C-N 3.27Å; E2080-S2082 PolarHBondContact O-N 2.87Å; E2080-T2083 WeakPolarHBondContact CA-OG1 3.34Å; E2080-T2083 CarbonylContact O-C 3.58Å; E2080-T2083 PolarHBondContact O-N 3.22Å; E2080-T2083 VanDerWaalsContact O-N 3.11Å; E2080-T2083 PolarHBondContact O-OG1 3.25Å; E2080-E2084 WeakPolarHBondContact O-CB 3.44Å; E2080-E2084 PolarHBondContact O-N 2.84Å
2081A70Confident66.4Low55 Ų55100.9 Ų100.946%0.45549%0.486SS..Hα-helixtrans-63.4-29.7175.100000112.9I2077 E2079 M2085I2077-A2081 WeakPolarHBondContact O-CB 3.13Å; I2077-A2081 PolarHBondContact O-N 3.3Å; E2079-A2081 PolarHBondContact O-N 2.9Å; A2081-M2085 WeakPolarHBondContact O-CB 3.29Å; A2081-M2085 PolarHBondContact O-N 2.98Å
2082S63.7Low65Low38 Ų38100.6 Ų100.627%0.26649%0.489SS..Hα-helixtrans-72.3-38.2172.279.30000112.1K2078 E2079 E2080 L2086K2078-S2082 VanDerWaalsContact O-CB 3.27Å; K2078-S2082 WeakPolarHBondContact O-CB 3.13Å; K2078-S2082 PolarHBondContact O-N 2.73Å; K2078-S2082 PolarHBondContact O-OG 2.91Å; E2079-S2082 CarbonylContact O-C 3.6Å; E2079-S2082 WeakPolarHBondContact O-CA 3.36Å; E2079-S2082 WeakPolarHBondContact O-CB 3.3Å; E2079-S2082 PolarHBondContact O-N 3.17Å; E2079-S2082 PolarHBondContact O-OG 3.31Å; E2080-S2082 VanDerWaalsContact C-N 3.27Å; E2080-S2082 PolarHBondContact O-N 2.87Å; S2082-L2086 WeakPolarHBondContact O-CB 3.47Å; S2082-L2086 WeakPolarHBondContact O-CG 3.35Å; S2082-L2086 PolarHBondContact O-N 3.47Å
2083T66Low63.5Low66 Ų6699.7 Ų99.741%0.40550%0.5SS..Hα-helixtrans-72.3-33.9175.956.90000112.7E2079 E2080 L2086 R2087E2079-T2083 WeakPolarHBondContact O-CG2 3.48Å; E2079-T2083 PolarHBondContact O-N 3.01Å; E2079-T2083 PolarHBondContact O-OG1 2.98Å; E2080-T2083 WeakPolarHBondContact CA-OG1 3.34Å; E2080-T2083 CarbonylContact O-C 3.58Å; E2080-T2083 PolarHBondContact O-N 3.22Å; E2080-T2083 VanDerWaalsContact O-N 3.11Å; E2080-T2083 PolarHBondContact O-OG1 3.25Å; T2083-L2086 WeakPolarHBondContact O-CB 3.2Å; T2083-L2086 PolarHBondContact O-N 3.21Å; T2083-R2087 PolarHBondContact O-N 3.28Å
2084E62.9Low62.1Low65 Ų6598.9 Ų98.930%0.30451%0.512SS..Hα-helixtrans-81.4-31.2176.9-157.360-146.700111E2080 L2086 R2087 I2088E2080-E2084 WeakPolarHBondContact O-CB 3.44Å; E2080-E2084 PolarHBondContact O-N 2.84Å; E2084-L2086 VanDerWaalsContact C-N 3.29Å; E2084-L2086 PolarHBondContact O-N 3.33Å; E2084-R2087 PolarHBondContact O-N 2.86Å; E2084-R2087 WeakPolarHBondContact OE2-CD 3.31Å; E2084-R2087 IonicContact OE2-CZ 3.71Å; E2084-R2087 IonicContact OE2-NE 3.82Å; E2084-R2087 IonicContact OE2-NH1 2.8Å; E2084-R2087 PolarHBondContact OE2-NH1 3.31Å; E2084-I2088 WeakPolarHBondContact O-CB 3.48Å; E2084-I2088 WeakPolarHBondContact O-CG1 3.15Å; E2084-I2088 PolarHBondContact O-N 2.86Å
2085M58.2Low60.7Low119 Ų11997.8 Ų97.859%0.58652%0.521SS*.Hα-helixtrans-68.3-27.6166.1-174.8163.651.800112.3A2081 K2089A2081-M2085 WeakPolarHBondContact O-CB 3.29Å; A2081-M2085 PolarHBondContact O-N 2.98Å; M2085-K2089 WeakPolarHBondContact O-CG 3.49Å; M2085-K2089 PolarHBondContact O-N 3.3Å
2086L61Low59.8Low87 Ų87101.8 Ų101.846%0.45554%0.541SS..Hα-helixtrans-68.2-48.3165.7-83.2163.7000111.3S2082 T2083 E2084 I2088 K2089 E2090S2082-L2086 WeakPolarHBondContact O-CB 3.47Å; S2082-L2086 WeakPolarHBondContact O-CG 3.35Å; S2082-L2086 PolarHBondContact O-N 3.47Å; T2083-L2086 WeakPolarHBondContact O-CB 3.2Å; T2083-L2086 PolarHBondContact O-N 3.21Å; E2084-L2086 VanDerWaalsContact C-N 3.29Å; E2084-L2086 PolarHBondContact O-N 3.33Å; L2086-I2088 VanDerWaalsContact C-N 3.34Å; L2086-I2088 PolarHBondContact O-N 3.23Å; L2086-K2089 CarbonylContact O-C 3.55Å; L2086-K2089 WeakPolarHBondContact O-CA 3.5Å; L2086-K2089 VanDerWaalsContact O-CB 3.31Å; L2086-K2089 WeakPolarHBondContact O-CB 3.44Å; L2086-K2089 PolarHBondContact O-N 3.35Å; L2086-E2090 PolarHBondContact O-N 3.11Å
2087R63.7Low58.9Low138 Ų138104 Ų10452%0.52156%0.563SS.*Hα-helixtrans-61.8-36.1175.5-80.6167.2164.8170.80.4114.1T2083 E2084 K2089 E2090 R2091T2083-R2087 PolarHBondContact O-N 3.28Å; E2084-R2087 PolarHBondContact O-N 2.86Å; E2084-R2087 WeakPolarHBondContact OE2-CD 3.31Å; E2084-R2087 IonicContact OE2-CZ 3.71Å; E2084-R2087 IonicContact OE2-NE 3.82Å; E2084-R2087 IonicContact OE2-NH1 2.8Å; E2084-R2087 PolarHBondContact OE2-NH1 3.31Å; R2087-K2089 VanDerWaalsContact C-N 3.28Å; R2087-K2089 PolarHBondContact O-N 3.46Å; R2087-E2090 PolarHBondContact O-N 2.79Å; R2087-R2091 PolarHBondContact O-N 2.88Å
2088I57.1Low58.1Low97 Ų97102.2 Ų102.250%0.49756%0.562SS.*Hα-helixtrans-64.2-36.9172.6-71.1164.5000109.8E2084 L2086 R2091 T2092E2084-I2088 WeakPolarHBondContact O-CB 3.48Å; E2084-I2088 WeakPolarHBondContact O-CG1 3.15Å; E2084-I2088 PolarHBondContact O-N 2.86Å; L2086-I2088 VanDerWaalsContact C-N 3.34Å; L2086-I2088 PolarHBondContact O-N 3.23Å; I2088-R2091 CarbonylContact O-C 3.6Å; I2088-R2091 PolarHBondContact O-N 3.11Å; I2088-T2092 WeakPolarHBondContact O-CB 3.27Å; I2088-T2092 PolarHBondContact O-N 2.85Å; I2088-T2092 PolarHBondContact O-OG1 3.39Å
2089K53.8Low57.4Low93 Ų9398.9 Ų98.940%0.40455%0.55SS.*Hα-helixtrans-70.6-35.6170-78179.4171.8-176.30113.9M2085 L2086 R2087 R2091 T2092 A2093M2085-K2089 WeakPolarHBondContact O-CG 3.49Å; M2085-K2089 PolarHBondContact O-N 3.3Å; L2086-K2089 CarbonylContact O-C 3.55Å; L2086-K2089 WeakPolarHBondContact O-CA 3.5Å; L2086-K2089 VanDerWaalsContact O-CB 3.31Å; L2086-K2089 WeakPolarHBondContact O-CB 3.44Å; L2086-K2089 PolarHBondContact O-N 3.35Å; R2087-K2089 VanDerWaalsContact C-N 3.28Å; R2087-K2089 PolarHBondContact O-N 3.46Å; K2089-R2091 PolarHBondContact O-N 2.88Å; K2089-T2092 WeakPolarHBondContact CA-OG1 3.42Å; K2089-T2092 CarbonylContact O-C 3.05Å; K2089-T2092 WeakPolarHBondContact O-CA 3.39Å; K2089-T2092 PolarHBondContact O-N 3.44Å; K2089-A2093 PolarHBondContact O-N 3.42Å
2090E56.2Low56.9Low153 Ų153101.7 Ų101.772%0.71556%0.563SS**Hα-helixtrans-62.3-34.6171.1-68.7176.4151.800111.1L2086 R2087 T2092L2086-E2090 PolarHBondContact O-N 3.11Å; R2087-E2090 PolarHBondContact O-N 2.79Å; E2090-T2092 VanDerWaalsContact C-N 3.34Å
2091R56.7Low56.5Low208 Ų208101 Ų10179%0.78556%0.563SS**THydrogen-bonded Turntrans-76.8-12.6169.5-75.7179.5167.8157.1-2.8114.6R2087 I2088 K2089R2087-R2091 PolarHBondContact O-N 2.88Å; I2088-R2091 CarbonylContact O-C 3.6Å; I2088-R2091 PolarHBondContact O-N 3.11Å; K2089-R2091 PolarHBondContact O-N 2.88Å
2092T45.2Very low56.2Low85 Ų85101.1 Ų101.152%0.52156%0.564SS.*SBendtrans-13167.9-179.751.80000110.9I2088 K2089 E2090 V2094I2088-T2092 WeakPolarHBondContact O-CB 3.27Å; I2088-T2092 PolarHBondContact O-N 2.85Å; I2088-T2092 PolarHBondContact O-OG1 3.39Å; K2089-T2092 WeakPolarHBondContact CA-OG1 3.42Å; K2089-T2092 CarbonylContact O-C 3.05Å; K2089-T2092 WeakPolarHBondContact O-CA 3.39Å; K2089-T2092 PolarHBondContact O-N 3.44Å; E2090-T2092 VanDerWaalsContact C-N 3.34Å; T2092-V2094 VanDerWaalsContact C-N 3.32Å; T2092-V2094 PolarHBondContact O-N 3.43Å
2093A40.8Very low56.4Low95 Ų95105.3 Ų105.379%0.78558%0.577SS**  trans-65.578-17300000114.1K2089K2089-A2093 PolarHBondContact O-N 3.42Å
2094V44.5Very low56.4Low135 Ų135111.2 Ų111.282%0.81859%0.592SS**  trans-139.3119.3173.9-177.40000110.7T2092T2092-V2094 VanDerWaalsContact C-N 3.32Å; T2092-V2094 PolarHBondContact O-N 3.43Å
2095G46.9Very low56.8Low61 Ų61112.8 Ų112.863%0.62960%0.602SS**  trans74.7101.1157.600000117.6S2097G2095-S2097 VanDerWaalsContact C-N 3.32Å; G2095-S2097 PolarHBondContact O-N 3.06Å
2096T52.4Low57.3Low139 Ų139111.7 Ų111.785%0.85359%0.592SS**G310 helixtrans-74.7-3.5-178.339.20000116.4A2098T2096-A2098 PolarHBondContact O-N 2.8Å
2097S53.7Low58Low111 Ų111113.6 Ų113.678%0.77660%0.599SS**G310 helixtrans-74.3-19.3-174.257.70000115.2G2095 D2099G2095-S2097 VanDerWaalsContact C-N 3.32Å; G2095-S2097 PolarHBondContact O-N 3.06Å; S2097-D2099 PolarHBondContact O-N 3.36Å
2098A54.8Low58.5Low52 Ų52111.4 Ų111.443%0.4360%0.597SS.*G310 helixtrans-78.51.5-178.200000114.5T2096T2096-A2098 PolarHBondContact O-N 2.8Å
2099D56.5Low59.2Low58 Ų58108.8 Ų108.831%0.3159%0.587SS.*Hα-helixtrans-90.3-38.9-169.1-17445.9000113.5S2097 L2101 A2102 K2103S2097-D2099 PolarHBondContact O-N 3.36Å; D2099-L2101 VanDerWaalsContact C-N 3.35Å; D2099-L2101 PolarHBondContact O-N 2.75Å; D2099-A2102 PolarHBondContact O-N 3.21Å; D2099-K2103 WeakPolarHBondContact O-CG 3.47Å; D2099-K2103 PolarHBondContact O-N 3.4Å; D2099-K2103 WeakPolarHBondContact OD1-CE 3.35Å; D2099-K2103 IonicContact OD1-NZ 3.71Å; D2099-K2103 WeakPolarHBondContact OD2-CE 3.31Å; D2099-K2103 IonicContact OD2-NZ 2.62Å; D2099-K2103 PolarHBondContact OD2-NZ 3.35Å
2100E60.6Low60.2Low151 Ų151110 Ų11071%0.70659%0.593SS**Hα-helixtrans-62.2-40.7178.5-65-162.1149.200112.7A2102 K2103 R2104E2100-A2102 VanDerWaalsContact C-N 3.34Å; E2100-A2102 PolarHBondContact O-N 2.77Å; E2100-K2103 PolarHBondContact O-N 3.46Å; E2100-R2104 WeakPolarHBondContact O-CB 3.48Å; E2100-R2104 PolarHBondContact O-N 3.43Å
2101L62Low61.2Low116 Ų116107.7 Ų107.761%0.60758%0.582SS**Hα-helixtrans-68-36.1-178.2-137.4169.5000111.1D2099 N2105D2099-L2101 VanDerWaalsContact C-N 3.35Å; D2099-L2101 PolarHBondContact O-N 2.75Å; L2101-N2105 WeakPolarHBondContact CD2-ND2 3.36Å; L2101-N2105 PolarHBondContact O-N 3.47Å; L2101-N2105 VanDerWaalsContact O-N 3.16Å; L2101-N2105 PolarHBondContact O-ND2 3.01Å
2102A63.1Low62.1Low56 Ų56102.7 Ų102.746%0.46357%0.57SS.*Hα-helixtrans-64.6-48172.600000111.5D2099 E2100 R2104 N2105 Y2106D2099-A2102 PolarHBondContact O-N 3.21Å; E2100-A2102 VanDerWaalsContact C-N 3.34Å; E2100-A2102 PolarHBondContact O-N 2.77Å; A2102-R2104 PolarHBondContact O-N 3.43Å; A2102-N2105 PolarHBondContact O-N 3.08Å; A2102-Y2106 PolarHBondContact O-N 3.25Å
2103K67.8Low63.4Low127 Ų127102 Ų10255%0.55257%0.565SS**Hα-helixtrans-59.8-42.1177.7-73.5168.5174.8171.70112.5D2099 E2100 Y2106 H2107D2099-K2103 WeakPolarHBondContact O-CG 3.47Å; D2099-K2103 PolarHBondContact O-N 3.4Å; D2099-K2103 WeakPolarHBondContact OD1-CE 3.35Å; D2099-K2103 IonicContact OD1-NZ 3.71Å; D2099-K2103 WeakPolarHBondContact OD2-CE 3.31Å; D2099-K2103 IonicContact OD2-NZ 2.62Å; D2099-K2103 PolarHBondContact OD2-NZ 3.35Å; E2100-K2103 PolarHBondContact O-N 3.46Å; K2103-Y2106 PolarHBondContact O-N 2.82Å; K2103-H2107 PolarHBondContact O-N 3.47Å; K2103-H2107 VanDerWaalsContact O-N 3.09Å
2104R67.1Low65.2Low190 Ų190101.1 Ų101.172%0.71755%0.55SS**Hα-helixtrans-64.7-43.5178.2-143.7176.4-161.6119.30.5112.1E2100 A2102 H2107 L2108E2100-R2104 WeakPolarHBondContact O-CB 3.48Å; E2100-R2104 PolarHBondContact O-N 3.43Å; A2102-R2104 PolarHBondContact O-N 3.43Å; R2104-H2107 PolarHBondContact O-N 2.81Å; R2104-L2108 PolarHBondContact O-N 3.19Å; R2104-L2108 VanDerWaalsContact O-N 3.13Å
2105N70Confident66.8Low97 Ų97100.2 Ų100.252%0.51954%0.54SS..Hα-helixtrans-67.1-37.6176.5-76.3-25.2000112.9L2101 A2102 S2109L2101-N2105 WeakPolarHBondContact CD2-ND2 3.36Å; L2101-N2105 PolarHBondContact O-N 3.47Å; L2101-N2105 VanDerWaalsContact O-N 3.16Å; L2101-N2105 PolarHBondContact O-ND2 3.01Å; A2102-N2105 PolarHBondContact O-N 3.08Å; N2105-S2109 WeakPolarHBondContact O-CB 3.49Å; N2105-S2109 PolarHBondContact O-N 3.31Å
2106Y70.5Confident68.1Low96 Ų96103 Ų10338%0.37654%0.537SS..Hα-helixtrans-61.3-45.5173.8176.4-84.5000111.1E2079 A2102 K2103 S2109 K2110E2079-Y2106 WeakPolarHBondContact OE1-CE2 3.36Å; E2079-Y2106 PolarHBondContact OE1-OH 3.05Å; A2102-Y2106 PolarHBondContact O-N 3.25Å; K2103-Y2106 PolarHBondContact O-N 2.82Å; Y2106-S2109 PolarHBondContact O-N 2.76Å; Y2106-K2110 HydrophobicContact CE1-CD 3.92Å; Y2106-K2110 PolarHBondContact O-N 3.29Å; Y2106-K2110 PolarHBondContact OH-NZ 2.9Å
2107H74.4Confident69.2Low128 Ų128102.2 Ų102.259%0.59352%0.523SS*.Hα-helixtrans-62.5-46.6179.1-156.6-69.8000112.4K2103 R2104 S2109 K2110 E2111K2103-H2107 PolarHBondContact O-N 3.47Å; K2103-H2107 VanDerWaalsContact O-N 3.09Å; R2104-H2107 PolarHBondContact O-N 2.81Å; H2107-S2109 VanDerWaalsContact C-N 3.35Å; H2107-S2109 PolarHBondContact O-N 2.78Å; H2107-K2110 WeakPolarHBondContact O-CB 3.22Å; H2107-K2110 PolarHBondContact O-N 3.05Å; H2107-K2110 VanDerWaalsContact O-N 3.15Å; H2107-E2111 PolarHBondContact O-N 3.4Å
2108L75Confident70.4Confident92 Ų92104.2 Ų104.248%0.48252%0.515SS..Hα-helixtrans-60.9-41.4176-113163.7000112.2R2104 K2110 E2111 I2112R2104-L2108 PolarHBondContact O-N 3.19Å; R2104-L2108 VanDerWaalsContact O-N 3.13Å; L2108-K2110 VanDerWaalsContact C-N 3.3Å; L2108-K2110 PolarHBondContact O-N 3.07Å; L2108-E2111 PolarHBondContact O-N 3.05Å; L2108-I2112 HydrophobicContact CD2-CD1 4.27Å; L2108-I2112 VanDerWaalsContact O-CG1 3.29Å; L2108-I2112 WeakPolarHBondContact O-CG1 3.09Å; L2108-I2112 PolarHBondContact O-N 2.87Å
2109S71.6Confident71.5Confident42 Ų42106.5 Ų106.529%0.29452%0.52SS..Hα-helixtrans-62.7-36.9175.3-171.20000112.1N2105 Y2106 H2107 T2113N2105-S2109 WeakPolarHBondContact O-CB 3.49Å; N2105-S2109 PolarHBondContact O-N 3.31Å; Y2106-S2109 PolarHBondContact O-N 2.76Å; H2107-S2109 VanDerWaalsContact C-N 3.35Å; H2107-S2109 PolarHBondContact O-N 2.78Å; S2109-T2113 PolarHBondContact O-N 3.13Å; S2109-T2113 VanDerWaalsContact O-N 3.12Å; S2109-T2113 PolarHBondContact O-OG1 2.91Å; S2109-T2113 VanDerWaalsContact O-OG1 3.05Å
2110K74.2Confident72.4Confident118 Ų118105.8 Ų105.851%0.51352%0.516SS..Hα-helixtrans-68.8-44.6-179.9-158163-168158.50111.2Y2106 H2107 L2108 T2113 T2114Y2106-K2110 HydrophobicContact CE1-CD 3.92Å; Y2106-K2110 PolarHBondContact O-N 3.29Å; Y2106-K2110 PolarHBondContact OH-NZ 2.9Å; H2107-K2110 WeakPolarHBondContact O-CB 3.22Å; H2107-K2110 PolarHBondContact O-N 3.05Å; H2107-K2110 VanDerWaalsContact O-N 3.15Å; L2108-K2110 VanDerWaalsContact C-N 3.3Å; L2108-K2110 PolarHBondContact O-N 3.07Å; K2110-T2113 WeakPolarHBondContact O-CB 3.36Å; K2110-T2113 PolarHBondContact O-N 2.72Å; K2110-T2114 PolarHBondContact O-N 3.3Å
2111E78.3Confident73.3Confident105 Ų105101 Ų10149%0.49150%0.499SS..Hα-helixtrans-62.1-46.8177.1-166.2164.1-144.100111.9H2107 L2108 T2113 T2114 L2115H2107-E2111 PolarHBondContact O-N 3.4Å; L2108-E2111 PolarHBondContact O-N 3.05Å; E2111-T2113 VanDerWaalsContact C-N 3.31Å; E2111-T2113 PolarHBondContact O-N 3.4Å; E2111-T2114 PolarHBondContact O-N 2.69Å; E2111-T2114 VanDerWaalsContact O-N 3.13Å; E2111-T2114 PolarHBondContact O-OG1 3.23Å; E2111-L2115 PolarHBondContact O-N 2.98Å; E2111-L2115 VanDerWaalsContact O-N 3.09Å
2112I75Confident74Confident103 Ų10399.2 Ų99.253%0.52849%0.489SS..Hα-helixtrans-57-42.2173.1-69.6166.9000111.5L2108 L2115 H2116L2108-I2112 HydrophobicContact CD2-CD1 4.27Å; L2108-I2112 VanDerWaalsContact O-CG1 3.29Å; L2108-I2112 WeakPolarHBondContact O-CG1 3.09Å; L2108-I2112 PolarHBondContact O-N 2.87Å; I2112-L2115 PolarHBondContact O-N 3Å; I2112-H2116 WeakPolarHBondContact O-CB 3.47Å; I2112-H2116 PolarHBondContact O-N 3.5Å
2113T72.3Confident74.6Confident70 Ų70102.4 Ų102.443%0.42950%0.495SS..Hα-helixtrans-63-41.3176.6-62.80000112.2S2109 K2110 E2111 H2116 Q2117S2109-T2113 PolarHBondContact O-N 3.13Å; S2109-T2113 VanDerWaalsContact O-N 3.12Å; S2109-T2113 PolarHBondContact O-OG1 2.91Å; S2109-T2113 VanDerWaalsContact O-OG1 3.05Å; K2110-T2113 WeakPolarHBondContact O-CB 3.36Å; K2110-T2113 PolarHBondContact O-N 2.72Å; E2111-T2113 VanDerWaalsContact C-N 3.31Å; E2111-T2113 PolarHBondContact O-N 3.4Å; T2113-H2116 PolarHBondContact O-N 3.49Å; T2113-Q2117 WeakPolarHBondContact O-CG 3.32Å; T2113-Q2117 PolarHBondContact O-N 3.43Å
2114T79.3Confident74.8Confident77 Ų7799.8 Ų99.847%0.47249%0.485SS..Hα-helixtrans-64.9-43.5177.960.70000112.8K2110 E2111 H2116 Q2117 Y2118K2110-T2114 PolarHBondContact O-N 3.3Å; E2111-T2114 PolarHBondContact O-N 2.69Å; E2111-T2114 VanDerWaalsContact O-N 3.13Å; E2111-T2114 PolarHBondContact O-OG1 3.23Å; T2114-H2116 VanDerWaalsContact C-N 3.31Å; T2114-H2116 PolarHBondContact O-N 3.34Å; T2114-Q2117 PolarHBondContact O-N 2.77Å; T2114-Y2118 PolarHBondContact O-N 3.44Å
2115L77.6Confident75.2Confident116 Ų11696.1 Ų96.161%0.60748%0.477SS*.Hα-helixtrans-62.2-38.9174.6-72.5171.9000111.8E2111 I2112 Y2118 N2119E2111-L2115 PolarHBondContact O-N 2.98Å; E2111-L2115 VanDerWaalsContact O-N 3.09Å; I2112-L2115 PolarHBondContact O-N 3Å; L2115-Y2118 PolarHBondContact O-N 3.3Å; L2115-N2119 PolarHBondContact O-N 3.44Å; L2115-N2119 VanDerWaalsContact O-N 3.09Å
2116H73.4Confident75.3Confident120 Ų12096.9 Ų96.956%0.55648%0.479SS*.Hα-helixtrans-68.7-35.5178.6-157.4-28.9000112.4I2112 T2113 T2114 I2120I2112-H2116 WeakPolarHBondContact O-CB 3.47Å; I2112-H2116 PolarHBondContact O-N 3.5Å; T2113-H2116 PolarHBondContact O-N 3.49Å; T2114-H2116 VanDerWaalsContact C-N 3.31Å; T2114-H2116 PolarHBondContact O-N 3.34Å; H2116-I2120 WeakPolarHBondContact O-CD1 3.37Å; H2116-I2120 VanDerWaalsContact O-CG1 3.29Å; H2116-I2120 WeakPolarHBondContact O-CG1 3.3Å; H2116-I2120 PolarHBondContact O-N 2.74Å
2117Q75.9Confident75.4Confident122 Ų12296.5 Ų96.557%0.5748%0.483SS*.Hα-helixtrans-66.4-44.5172.4-73.7174.3-11.600111.8T2113 T2114 N2119 I2120 S2121T2113-Q2117 WeakPolarHBondContact O-CG 3.32Å; T2113-Q2117 PolarHBondContact O-N 3.43Å; T2114-Q2117 PolarHBondContact O-N 2.77Å; Q2117-N2119 VanDerWaalsContact C-N 3.35Å; Q2117-N2119 PolarHBondContact O-N 3.41Å; Q2117-I2120 PolarHBondContact O-N 3.14Å; Q2117-S2121 PolarHBondContact O-N 2.9Å
2118Y79.2Confident75.5Confident153 Ų15398.3 Ų98.360%0.649%0.485SS*.Hα-helixtrans-59.4-44.7178.4-173.4-110.5000112T2114 L2115 I2120 S2121 L2122T2114-Y2118 PolarHBondContact O-N 3.44Å; L2115-Y2118 PolarHBondContact O-N 3.3Å; Y2118-I2120 PolarHBondContact O-N 3.1Å; Y2118-S2121 PolarHBondContact O-N 3.38Å; Y2118-S2121 PolarHBondContact O-OG 2.94Å; Y2118-L2122 HydrophobicContact CD1-CD1 3.97Å; Y2118-L2122 HydrophobicContact CE1-CD1 3.55Å; Y2118-L2122 HydrophobicContact CE1-CG 4.42Å; Y2118-L2122 PolarHBondContact O-N 2.89Å; Y2118-L2122 VanDerWaalsContact O-N 3.12Å
2119N78.4Confident75.5Confident100 Ų10098.3 Ų98.354%0.53549%0.485SS..Hα-helixtrans-61.8-42.5176.8-163.5-29.3000112.3L2115 Q2117 S2121 L2122 Q2123L2115-N2119 PolarHBondContact O-N 3.44Å; L2115-N2119 VanDerWaalsContact O-N 3.09Å; Q2117-N2119 VanDerWaalsContact C-N 3.35Å; Q2117-N2119 PolarHBondContact O-N 3.41Å; N2119-S2121 VanDerWaalsContact C-N 3.32Å; N2119-S2121 PolarHBondContact O-N 2.99Å; N2119-L2122 PolarHBondContact O-N 2.85Å; N2119-Q2123 PolarHBondContact O-N 2.91Å
2120I75.1Confident75.6Confident43 Ų43102.4 Ų102.422%0.22150%0.498CS..Hα-helixtrans-58.9-42.5174.2-70.7165.4000111.2H2116 Q2117 Y2118 Q2123 Q2124H2116-I2120 WeakPolarHBondContact O-CD1 3.37Å; H2116-I2120 VanDerWaalsContact O-CG1 3.29Å; H2116-I2120 WeakPolarHBondContact O-CG1 3.3Å; H2116-I2120 PolarHBondContact O-N 2.74Å; Q2117-I2120 PolarHBondContact O-N 3.14Å; Y2118-I2120 PolarHBondContact O-N 3.1Å; I2120-Q2123 PolarHBondContact O-N 3.42Å; I2120-Q2124 HydrophobicContact CG2-CG 4.46Å; I2120-Q2124 WeakPolarHBondContact O-CG 3.44Å; I2120-Q2124 PolarHBondContact O-N 3.11Å
2121S78.3Confident75.5Confident51 Ų51101.3 Ų101.336%0.35750%0.501SS..Hα-helixtrans-64.1-41.9179.579.30000112.8Q2117 Y2118 N2119 Q2124 M2125Q2117-S2121 PolarHBondContact O-N 2.9Å; Y2118-S2121 PolarHBondContact O-N 3.38Å; Y2118-S2121 PolarHBondContact O-OG 2.94Å; N2119-S2121 VanDerWaalsContact C-N 3.32Å; N2119-S2121 PolarHBondContact O-N 2.99Å; S2121-Q2124 PolarHBondContact O-N 2.97Å; S2121-M2125 WeakPolarHBondContact O-CB 3.47Å; S2121-M2125 PolarHBondContact O-N 3.43Å
2122L77.8Confident75.1Confident77 Ų77101 Ų10140%0.40350%0.5SS..Hα-helixtrans-63.6-42.7175-79.1168.6000111.6Y2118 N2119 M2125 M2126Y2118-L2122 HydrophobicContact CD1-CD1 3.97Å; Y2118-L2122 HydrophobicContact CE1-CD1 3.55Å; Y2118-L2122 HydrophobicContact CE1-CG 4.42Å; Y2118-L2122 PolarHBondContact O-N 2.89Å; Y2118-L2122 VanDerWaalsContact O-N 3.12Å; N2119-L2122 PolarHBondContact O-N 2.85Å; L2122-M2125 PolarHBondContact O-N 2.86Å; L2122-M2126 WeakPolarHBondContact O-CB 3.38Å; L2122-M2126 PolarHBondContact O-N 3.35Å
2123Q75.3Confident75.2Confident123 Ų12399.3 Ų99.358%0.57550%0.498SS*.Hα-helixtrans-66.7-38179.2-163.1172.427.300112N2119 I2120 N2127N2119-Q2123 PolarHBondContact O-N 2.91Å; I2120-Q2123 PolarHBondContact O-N 3.42Å; Q2123-N2127 WeakPolarHBondContact O-CB 3.33Å; Q2123-N2127 VanDerWaalsContact O-CG 3.28Å; Q2123-N2127 PolarHBondContact O-N 3.48Å; Q2123-N2127 VanDerWaalsContact O-N 3.1Å; Q2123-N2127 PolarHBondContact O-ND2 3.41Å
2124Q72.7Confident75.4Confident73 Ų73102.4 Ų102.434%0.34151%0.507SS..Hα-helixtrans-63.6-43.9171.5-74.1175.3-10.800112I2120 S2121 N2127 R2128I2120-Q2124 HydrophobicContact CG2-CG 4.46Å; I2120-Q2124 WeakPolarHBondContact O-CG 3.44Å; I2120-Q2124 PolarHBondContact O-N 3.11Å; S2121-Q2124 PolarHBondContact O-N 2.97Å; Q2124-N2127 PolarHBondContact O-N 2.88Å; Q2124-R2128 WeakPolarHBondContact O-CB 3.46Å; Q2124-R2128 WeakPolarHBondContact O-CG 3.3Å; Q2124-R2128 PolarHBondContact O-N 3.33Å
2125M75.7Confident74.5Confident112 Ų112107.3 Ų107.355%0.55252%0.517SS*.Hα-helixtrans-63-44.6178.6-163.6-167.4-55.700111.9S2121 L2122 N2127 R2128 L2129S2121-M2125 WeakPolarHBondContact O-CB 3.47Å; S2121-M2125 PolarHBondContact O-N 3.43Å; L2122-M2125 PolarHBondContact O-N 2.86Å; M2125-N2127 VanDerWaalsContact C-N 3.35Å; M2125-N2127 PolarHBondContact O-N 3.5Å; M2125-R2128 PolarHBondContact O-N 3.04Å; M2125-L2129 PolarHBondContact O-N 3.17Å
2126M71.1Confident74.5Confident113 Ų113107.3 Ų107.356%0.55751%0.514SS*.Hα-helixtrans-65.1-37.1178.5-163.867.4-177.200112.4L2122 K2130L2122-M2126 WeakPolarHBondContact O-CB 3.38Å; L2122-M2126 PolarHBondContact O-N 3.35Å; M2126-K2130 PolarHBondContact O-N 2.97Å
2127N72.4Confident74.5Confident89 Ų89108.4 Ų108.448%0.47652%0.519SS..Hα-helixtrans-69-43.3174.4-74.2-16000111.8Q2123 Q2124 M2125 L2129 K2130 V2131Q2123-N2127 WeakPolarHBondContact O-CB 3.33Å; Q2123-N2127 VanDerWaalsContact O-CG 3.28Å; Q2123-N2127 PolarHBondContact O-N 3.48Å; Q2123-N2127 VanDerWaalsContact O-N 3.1Å; Q2123-N2127 PolarHBondContact O-ND2 3.41Å; Q2124-N2127 PolarHBondContact O-N 2.88Å; M2125-N2127 VanDerWaalsContact C-N 3.35Å; M2125-N2127 PolarHBondContact O-N 3.5Å; N2127-L2129 VanDerWaalsContact C-N 3.34Å; N2127-L2129 PolarHBondContact O-N 2.93Å; N2127-K2130 PolarHBondContact O-N 2.7Å; N2127-V2131 WeakPolarHBondContact O-CG2 3.37Å; N2127-V2131 PolarHBondContact O-N 2.95Å
2128R76.1Confident74.4Confident165 Ų165106.9 Ų106.962%0.62352%0.518SS*.Hα-helixtrans-58.5-43.5175-78.6178.7169.8177.6-3.7111.6E2061 Q2124 M2125 V2131 M2132E2061-R2128 IonicContact OE1-NH2 2.68Å; E2061-R2128 PolarHBondContact OE1-NH2 2.92Å; Q2124-R2128 WeakPolarHBondContact O-CB 3.46Å; Q2124-R2128 WeakPolarHBondContact O-CG 3.3Å; Q2124-R2128 PolarHBondContact O-N 3.33Å; M2125-R2128 PolarHBondContact O-N 3.04Å; R2128-V2131 PolarHBondContact O-N 3.49Å; R2128-M2132 VanDerWaalsContact O-CB 3.26Å; R2128-M2132 WeakPolarHBondContact O-CB 3.4Å; R2128-M2132 PolarHBondContact O-N 2.82Å
2129L75.4Confident74Confident93 Ų93102.3 Ų102.349%0.48751%0.507SS..Hα-helixtrans-60.5-44.4175.6-82164.9000113.1M2125 N2127 M2132 S2133M2125-L2129 PolarHBondContact O-N 3.17Å; N2127-L2129 VanDerWaalsContact C-N 3.34Å; N2127-L2129 PolarHBondContact O-N 2.93Å; L2129-M2132 HydrophobicContact CD2-CE 4.32Å; L2129-M2132 PolarHBondContact O-N 3.1Å; L2129-S2133 WeakPolarHBondContact O-CB 3.37Å; L2129-S2133 PolarHBondContact O-N 3.14Å
2130K75.2Confident74Confident128 Ų128102.5 Ų102.556%0.55751%0.507SS*.Hα-helixtrans-63-48.2176.7-76.7-177.4174.8-177.50112.4M2126 N2127 M2132 S2133 Q2134M2126-K2130 PolarHBondContact O-N 2.97Å; N2127-K2130 PolarHBondContact O-N 2.7Å; K2130-M2132 VanDerWaalsContact C-N 3.35Å; K2130-M2132 PolarHBondContact O-N 2.62Å; K2130-S2133 PolarHBondContact O-N 3.37Å; K2130-Q2134 PolarHBondContact O-N 2.59Å
2131V70.5Confident74Confident95 Ų95106.8 Ų106.858%0.57652%0.524SS*.Hα-helixtrans-60.7-45.6178.1172.30000110.4N2127 R2128 S2133 Q2134 W2135N2127-V2131 WeakPolarHBondContact O-CG2 3.37Å; N2127-V2131 PolarHBondContact O-N 2.95Å; R2128-V2131 PolarHBondContact O-N 3.49Å; V2131-S2133 PolarHBondContact O-N 2.87Å; V2131-Q2134 PolarHBondContact O-N 2.89Å; V2131-W2135 VanDerWaalsContact O-CB 3.23Å; V2131-W2135 WeakPolarHBondContact O-CB 3.42Å; V2131-W2135 PolarHBondContact O-N 3.38Å
2132M71.3Confident73.6Confident98 Ų98106 Ų10648%0.48352%0.519SS..Hα-helixtrans-63.6-39.2179.8-168174.272.400112.5R2128 L2129 K2130 W2135 Q2136R2128-M2132 VanDerWaalsContact O-CB 3.26Å; R2128-M2132 WeakPolarHBondContact O-CB 3.4Å; R2128-M2132 PolarHBondContact O-N 2.82Å; L2129-M2132 HydrophobicContact CD2-CE 4.32Å; L2129-M2132 PolarHBondContact O-N 3.1Å; K2130-M2132 VanDerWaalsContact C-N 3.35Å; K2130-M2132 PolarHBondContact O-N 2.62Å; M2132-W2135 PolarHBondContact O-N 2.98Å; M2132-Q2136 WeakPolarHBondContact O-CB 3.4Å; M2132-Q2136 VanDerWaalsContact O-CG 3.32Å; M2132-Q2136 WeakPolarHBondContact O-CG 3.39Å; M2132-Q2136 PolarHBondContact O-N 2.97Å
2133S77.3Confident73.5Confident68 Ų68105.2 Ų105.248%0.47652%0.517SS..Hα-helixtrans-65.4-46.6175.8174.90000112.5L2129 K2130 V2131 W2135 Q2136 Q2137L2129-S2133 WeakPolarHBondContact O-CB 3.37Å; L2129-S2133 PolarHBondContact O-N 3.14Å; K2130-S2133 PolarHBondContact O-N 3.37Å; V2131-S2133 PolarHBondContact O-N 2.87Å; S2133-W2135 VanDerWaalsContact C-N 3.35Å; S2133-Q2136 PolarHBondContact O-N 3.16Å; S2133-Q2137 PolarHBondContact O-N 2.8Å
2134Q75Confident73.4Confident134 Ų134104.7 Ų104.763%0.62651%0.513SS*.Hα-helixtrans-64.6-40.4175.4-75.2-176.6-6600111.5K2130 V2131 Q2137 T2138K2130-Q2134 PolarHBondContact O-N 2.59Å; V2131-Q2134 PolarHBondContact O-N 2.89Å; Q2134-Q2137 PolarHBondContact O-N 3.47Å; Q2134-T2138 WeakPolarHBondContact O-CB 3.45Å; Q2134-T2138 PolarHBondContact O-N 3.03Å; Q2134-T2138 PolarHBondContact O-OG1 3.24Å
2135W61.7Low73.5Confident180 Ų180105 Ų10568%0.68251%0.514SS*.Hα-helixtrans-65.2-40.1178.3-16679.7000112.4V2131 M2132 S2133 T2139V2131-W2135 VanDerWaalsContact O-CB 3.23Å; V2131-W2135 WeakPolarHBondContact O-CB 3.42Å; V2131-W2135 PolarHBondContact O-N 3.38Å; M2132-W2135 PolarHBondContact O-N 2.98Å; S2133-W2135 VanDerWaalsContact C-N 3.35Å; W2135-T2139 WeakPolarHBondContact O-CB 3.43Å; W2135-T2139 PolarHBondContact O-N 3.14Å; W2135-T2139 PolarHBondContact O-OG1 2.91Å
2136Q76.3Confident73.3Confident116 Ų116106.6 Ų106.654%0.54252%0.518SS..Hα-helixtrans-59.6-48.5170.5-79.3177-1800111.5M2132 S2133 T2138 T2139 L2140M2132-Q2136 WeakPolarHBondContact O-CB 3.4Å; M2132-Q2136 VanDerWaalsContact O-CG 3.32Å; M2132-Q2136 WeakPolarHBondContact O-CG 3.39Å; M2132-Q2136 PolarHBondContact O-N 2.97Å; S2133-Q2136 PolarHBondContact O-N 3.16Å; Q2136-T2138 PolarHBondContact O-N 3.5Å; Q2136-T2139 PolarHBondContact O-N 3.38Å; Q2136-L2140 WeakPolarHBondContact O-CB 3.35Å; Q2136-L2140 PolarHBondContact O-N 3.06Å
2137Q74.9Confident73.7Confident143 Ų143106.4 Ų106.467%0.66852%0.516SS*.Hα-helixtrans-65.2-41.3-178-163.4175.930.200112.4S2133 Q2134 K2141S2133-Q2137 PolarHBondContact O-N 2.8Å; Q2134-Q2137 PolarHBondContact O-N 3.47Å; Q2137-K2141 PolarHBondContact O-N 3.47Å; Q2137-K2141 VanDerWaalsContact O-N 3.12Å
2138T73Confident73.7Confident90 Ų90108.2 Ų108.255%0.55253%0.525SS*.Hα-helixtrans-66.2-43.1174.3-56.30000111.7Q2134 Q2136 K2141 C2142Q2134-T2138 WeakPolarHBondContact O-CB 3.45Å; Q2134-T2138 PolarHBondContact O-N 3.03Å; Q2134-T2138 PolarHBondContact O-OG1 3.24Å; Q2136-T2138 PolarHBondContact O-N 3.5Å; T2138-K2141 PolarHBondContact O-N 2.76Å; T2138-C2142 PolarHBondContact O-N 3.09Å
2139T70.9Confident73.7Confident58 Ų58102 Ų10236%0.35651%0.511SS..Hα-helixtrans-62.3-44.7177-60.60000111W2135 Q2136 K2141 C2142 T2143W2135-T2139 WeakPolarHBondContact O-CB 3.43Å; W2135-T2139 PolarHBondContact O-N 3.14Å; W2135-T2139 PolarHBondContact O-OG1 2.91Å; Q2136-T2139 PolarHBondContact O-N 3.38Å; T2139-K2141 VanDerWaalsContact C-N 3.35Å; T2139-K2141 PolarHBondContact O-N 3.43Å; T2139-C2142 CarbonylContact O-C 3.51Å; T2139-C2142 PolarHBondContact O-N 3.49Å; T2139-T2143 PolarHBondContact O-N 3.35Å; T2139-T2143 PolarHBondContact O-OG1 3.19Å
2140L77.4Confident73.8Confident104 Ų104101.8 Ų101.855%0.54551%0.51SS..Hα-helixtrans-60.2-44.1178.5-158.180.3000111.5Q2136 T2143 F2144Q2136-L2140 WeakPolarHBondContact O-CB 3.35Å; Q2136-L2140 PolarHBondContact O-N 3.06Å; L2140-T2143 VanDerWaalsContact CA-OG1 3.3Å; L2140-T2143 WeakPolarHBondContact CA-OG1 3.19Å; L2140-T2143 PolarHBondContact O-N 3.02Å; L2140-T2143 PolarHBondContact O-OG1 2.84Å; L2140-F2144 HydrophobicContact CD2-CE2 3.9Å; L2140-F2144 HydrophobicContact CG-CD2 4.32Å; L2140-F2144 HydrophobicContact CG-CE2 3.76Å; L2140-F2144 HydrophobicContact CG-CZ 4.45Å; L2140-F2144 WeakPolarHBondContact O-CD2 3.44Å; L2140-F2144 PolarHBondContact O-N 3.43Å
2141K76.7Confident73.9Confident133 Ų133100 Ų10058%0.57851%0.509SS*.Hα-helixtrans-59.6-49.2174.3-169-170.6-179.4-149.50111.3Q2137 T2138 T2139 T2143 F2144 E2145Q2137-K2141 PolarHBondContact O-N 3.47Å; Q2137-K2141 VanDerWaalsContact O-N 3.12Å; T2138-K2141 PolarHBondContact O-N 2.76Å; T2139-K2141 VanDerWaalsContact C-N 3.35Å; T2139-K2141 PolarHBondContact O-N 3.43Å; K2141-T2143 VanDerWaalsContact C-N 3.31Å; K2141-T2143 PolarHBondContact O-N 3.19Å; K2141-F2144 PolarHBondContact O-N 3.1Å; K2141-F2144 VanDerWaalsContact O-N 3.16Å; K2141-E2145 WeakPolarHBondContact CE-OE1 3.29Å; K2141-E2145 IonicContact NZ-OE1 3.08Å; K2141-E2145 PolarHBondContact NZ-OE1 2.81Å; K2141-E2145 WeakPolarHBondContact O-CG 3.39Å; K2141-E2145 PolarHBondContact O-N 3.13Å
2142C69.8Low74.2Confident35 Ų3599.9 Ų99.924%0.23650%0.503CS..Hα-helixtrans-67-27178.2-78.70000113.6T2138 T2139 E2145 K2146T2138-C2142 PolarHBondContact O-N 3.09Å; T2139-C2142 CarbonylContact O-C 3.51Å; T2139-C2142 PolarHBondContact O-N 3.49Å; C2142-E2145 PolarHBondContact SG-OE2 2.96Å; C2142-K2146 WeakPolarHBondContact O-CB 3.42Å; C2142-K2146 VanDerWaalsContact O-CG 3.28Å; C2142-K2146 WeakPolarHBondContact O-CG 3.47Å; C2142-K2146 PolarHBondContact O-N 2.86Å
2143T74.2Confident74.3Confident59 Ų5999.9 Ų99.936%0.36251%0.505SS..Hα-helixtrans-68.9-39.217045.10000112.1T2139 L2140 K2141 K2146 Q2147T2139-T2143 PolarHBondContact O-N 3.35Å; T2139-T2143 PolarHBondContact O-OG1 3.19Å; L2140-T2143 VanDerWaalsContact CA-OG1 3.3Å; L2140-T2143 WeakPolarHBondContact CA-OG1 3.19Å; L2140-T2143 PolarHBondContact O-N 3.02Å; L2140-T2143 PolarHBondContact O-OG1 2.84Å; K2141-T2143 VanDerWaalsContact C-N 3.31Å; K2141-T2143 PolarHBondContact O-N 3.19Å; T2143-K2146 PolarHBondContact O-N 2.81Å; T2143-Q2147 WeakPolarHBondContact O-CB 3.07Å; T2143-Q2147 VanDerWaalsContact O-CG 3.29Å; T2143-Q2147 WeakPolarHBondContact O-CG 3.29Å; T2143-Q2147 PolarHBondContact O-N 3.1Å
2144F72.9Confident74.3Confident113 Ų113101.5 Ų101.550%0.49651%0.505SS..Hα-helixtrans-68.6-41.3174-69.1-52.6000112.6L2140 K2141 K2146 Q2147 L2148L2140-F2144 HydrophobicContact CD2-CE2 3.9Å; L2140-F2144 HydrophobicContact CG-CD2 4.32Å; L2140-F2144 HydrophobicContact CG-CE2 3.76Å; L2140-F2144 HydrophobicContact CG-CZ 4.45Å; L2140-F2144 WeakPolarHBondContact O-CD2 3.44Å; L2140-F2144 PolarHBondContact O-N 3.43Å; K2141-F2144 PolarHBondContact O-N 3.1Å; K2141-F2144 VanDerWaalsContact O-N 3.16Å; F2144-K2146 VanDerWaalsContact C-N 3.33Å; F2144-K2146 PolarHBondContact O-N 3.48Å; F2144-Q2147 PolarHBondContact O-N 3.19Å; F2144-L2148 WeakPolarHBondContact O-CB 3.46Å; F2144-L2148 PolarHBondContact O-N 3.13Å
2145E75.8Confident74.5Confident78 Ų78103 Ų10336%0.36451%0.505SS..Hα-helixtrans-58.3-44173.1-71.4169.9177.600111.2K2141 C2142 G2149K2141-E2145 WeakPolarHBondContact CE-OE1 3.29Å; K2141-E2145 IonicContact NZ-OE1 3.08Å; K2141-E2145 PolarHBondContact NZ-OE1 2.81Å; K2141-E2145 WeakPolarHBondContact O-CG 3.39Å; K2141-E2145 PolarHBondContact O-N 3.13Å; C2142-E2145 PolarHBondContact SG-OE2 2.96Å; E2145-G2149 PolarHBondContact O-N 2.69Å
2146K72Confident75.2Confident147 Ų14798 Ų9864%0.63949%0.492SS*.Hα-helixtrans-67.1-41.2175-75.5178.2179.5-1770112.6C2142 T2143 F2144 G2149 I2150C2142-K2146 WeakPolarHBondContact O-CB 3.42Å; C2142-K2146 VanDerWaalsContact O-CG 3.28Å; C2142-K2146 WeakPolarHBondContact O-CG 3.47Å; C2142-K2146 PolarHBondContact O-N 2.86Å; T2143-K2146 PolarHBondContact O-N 2.81Å; F2144-K2146 VanDerWaalsContact C-N 3.33Å; F2144-K2146 PolarHBondContact O-N 3.48Å; K2146-G2149 PolarHBondContact O-N 3.09Å; K2146-I2150 WeakPolarHBondContact O-CB 2.98Å; K2146-I2150 WeakPolarHBondContact O-CD1 3.43Å; K2146-I2150 WeakPolarHBondContact O-CG1 3.47Å; K2146-I2150 PolarHBondContact O-N 2.91Å
2147Q78Confident75.1Confident109 Ų10998 Ų9851%0.50949%0.491SS..Hα-helixtrans-64.6-43.3177.2-78.6174.3-9.500111.9T2143 F2144 G2149 I2150 V2151T2143-Q2147 WeakPolarHBondContact O-CB 3.07Å; T2143-Q2147 VanDerWaalsContact O-CG 3.29Å; T2143-Q2147 WeakPolarHBondContact O-CG 3.29Å; T2143-Q2147 PolarHBondContact O-N 3.1Å; F2144-Q2147 PolarHBondContact O-N 3.19Å; Q2147-G2149 PolarHBondContact O-N 3.5Å; Q2147-I2150 PolarHBondContact O-N 2.8Å; Q2147-V2151 WeakPolarHBondContact O-CB 3.44Å; Q2147-V2151 WeakPolarHBondContact O-CG2 3.44Å; Q2147-V2151 PolarHBondContact O-N 2.85Å
2148L72.5Confident75.2Confident127 Ų12796 Ų9667%0.66549%0.485SS*.Hα-helixtrans-57.7-48.1171.9-90.2155.9000111.4F2144 I2150 V2151 E2152F2144-L2148 WeakPolarHBondContact O-CB 3.46Å; F2144-L2148 PolarHBondContact O-N 3.13Å; L2148-I2150 VanDerWaalsContact C-N 3.33Å; L2148-I2150 PolarHBondContact O-N 3.31Å; L2148-V2151 PolarHBondContact O-N 3.02Å; L2148-E2152 WeakPolarHBondContact O-CB 3.41Å; L2148-E2152 PolarHBondContact O-N 3.48Å
2149G77.9Confident75.3Confident33 Ų3399 Ų9934%0.3449%0.491SS..Hα-helixtrans-62.6-35.717600000113.9E2145 K2146 Q2147 N2153E2145-G2149 PolarHBondContact O-N 2.69Å; K2146-G2149 PolarHBondContact O-N 3.09Å; Q2147-G2149 PolarHBondContact O-N 3.5Å; G2149-N2153 VanDerWaalsContact O-CB 3.24Å; G2149-N2153 WeakPolarHBondContact O-CB 3.28Å; G2149-N2153 PolarHBondContact O-N 3.28Å; G2149-N2153 PolarHBondContact O-ND2 3.47Å
2150I77.1Confident75.3Confident90 Ų90100 Ų10046%0.46250%0.497SS..Hα-helixtrans-69.9-43.2174.9-71.1162.3000110.7K2146 Q2147 L2148 N2153 Q2154K2146-I2150 WeakPolarHBondContact O-CB 2.98Å; K2146-I2150 WeakPolarHBondContact O-CD1 3.43Å; K2146-I2150 WeakPolarHBondContact O-CG1 3.47Å; K2146-I2150 PolarHBondContact O-N 2.91Å; Q2147-I2150 PolarHBondContact O-N 2.8Å; L2148-I2150 VanDerWaalsContact C-N 3.33Å; L2148-I2150 PolarHBondContact O-N 3.31Å; I2150-N2153 CarbonylContact O-C 3.55Å; I2150-N2153 PolarHBondContact O-N 2.88Å; I2150-Q2154 HydrophobicContact CG2-CG 4.32Å; I2150-Q2154 VanDerWaalsContact O-CB 3.31Å; I2150-Q2154 WeakPolarHBondContact O-CB 3.38Å; I2150-Q2154 VanDerWaalsContact O-CG 3.31Å; I2150-Q2154 WeakPolarHBondContact O-CG 3.46Å; I2150-Q2154 PolarHBondContact O-N 3.13Å
2151V77.9Confident75.1Confident89 Ų8998.8 Ų98.854%0.53949%0.491SS..Hα-helixtrans-68-38.9178.5170.40000111.5Q2147 L2148 Q2154 R2155Q2147-V2151 WeakPolarHBondContact O-CB 3.44Å; Q2147-V2151 WeakPolarHBondContact O-CG2 3.44Å; Q2147-V2151 PolarHBondContact O-N 2.85Å; L2148-V2151 PolarHBondContact O-N 3.02Å; V2151-Q2154 PolarHBondContact O-N 2.62Å; V2151-R2155 VanDerWaalsContact O-CB 3.25Å; V2151-R2155 WeakPolarHBondContact O-CB 3.5Å; V2151-R2155 PolarHBondContact O-N 2.87Å
2152E76.3Confident75.1Confident93 Ų9396.3 Ų96.344%0.43549%0.487SS..Hα-helixtrans-64.3-44.6172.5-167.696.7-99.400110.9L2148 R2155 N2156L2148-E2152 WeakPolarHBondContact O-CB 3.41Å; L2148-E2152 PolarHBondContact O-N 3.48Å; E2152-R2155 WeakPolarHBondContact O-CB 3.43Å; E2152-R2155 PolarHBondContact O-N 3.14Å; E2152-R2155 IonicContact OE1-CZ 2.66Å; E2152-R2155 IonicContact OE1-NH1 3.65Å; E2152-R2155 PolarHBondContact OE1-NH1 2.79Å; E2152-N2156 WeakPolarHBondContact O-CB 3.43Å; E2152-N2156 VanDerWaalsContact O-CG 3.23Å; E2152-N2156 PolarHBondContact O-N 3.38Å; E2152-N2156 PolarHBondContact O-ND2 3.11Å
2153N73.6Confident75.2Confident99 Ų9998.4 Ų98.453%0.52950%0.499SS..Hα-helixtrans-65.2-38.1174.8-77.5-19.4000112.6G2149 I2150 N2156 Q2157G2149-N2153 VanDerWaalsContact O-CB 3.24Å; G2149-N2153 WeakPolarHBondContact O-CB 3.28Å; G2149-N2153 PolarHBondContact O-N 3.28Å; G2149-N2153 PolarHBondContact O-ND2 3.47Å; I2150-N2153 CarbonylContact O-C 3.55Å; I2150-N2153 PolarHBondContact O-N 2.88Å; N2153-N2156 PolarHBondContact O-N 2.94Å; N2153-Q2157 VanDerWaalsContact O-CB 3.3Å; N2153-Q2157 WeakPolarHBondContact O-CB 3.36Å; N2153-Q2157 WeakPolarHBondContact O-CG 3.23Å; N2153-Q2157 PolarHBondContact O-N 2.84Å
2154Q76.8Confident74.9Confident101 Ų101103.4 Ų103.447%0.47251%0.511SS..Hα-helixtrans-68-37.7174-80.1179.6-19.700111.7I2150 V2151 N2156 Q2157 N2158I2150-Q2154 HydrophobicContact CG2-CG 4.32Å; I2150-Q2154 VanDerWaalsContact O-CB 3.31Å; I2150-Q2154 WeakPolarHBondContact O-CB 3.38Å; I2150-Q2154 VanDerWaalsContact O-CG 3.31Å; I2150-Q2154 WeakPolarHBondContact O-CG 3.46Å; I2150-Q2154 PolarHBondContact O-N 3.13Å; V2151-Q2154 PolarHBondContact O-N 2.62Å; Q2154-N2156 VanDerWaalsContact C-N 3.34Å; Q2154-Q2157 PolarHBondContact O-N 3.44Å; Q2154-N2158 WeakPolarHBondContact O-CB 3.17Å; Q2154-N2158 PolarHBondContact O-N 2.97Å; Q2154-N2158 PolarHBondContact O-ND2 3.16Å
2155R79.3Confident74.7Confident165 Ų165104.2 Ų104.262%0.62352%0.518SS*.Hα-helixtrans-61-43.8171.5173.4-175.1173.5-143.2-0.1110.9V2151 E2152 K2159V2151-R2155 VanDerWaalsContact O-CB 3.25Å; V2151-R2155 WeakPolarHBondContact O-CB 3.5Å; V2151-R2155 PolarHBondContact O-N 2.87Å; E2152-R2155 WeakPolarHBondContact O-CB 3.43Å; E2152-R2155 PolarHBondContact O-N 3.14Å; E2152-R2155 IonicContact OE1-CZ 2.66Å; E2152-R2155 IonicContact OE1-NH1 3.65Å; E2152-R2155 PolarHBondContact OE1-NH1 2.79Å; R2155-K2159 WeakPolarHBondContact O-CB 3.46Å; R2155-K2159 PolarHBondContact O-N 3.41Å
2156N75.7Confident74.4Confident77 Ų77105 Ų10541%0.41253%0.525SS..Hα-helixtrans-72.2-38.2178.1-67.1-27000112.5E2152 N2153 Q2154 K2159 T2160E2152-N2156 WeakPolarHBondContact O-CB 3.43Å; E2152-N2156 VanDerWaalsContact O-CG 3.23Å; E2152-N2156 PolarHBondContact O-N 3.38Å; E2152-N2156 PolarHBondContact O-ND2 3.11Å; N2153-N2156 PolarHBondContact O-N 2.94Å; Q2154-N2156 VanDerWaalsContact C-N 3.34Å; N2156-K2159 PolarHBondContact O-N 3.11Å; N2156-T2160 PolarHBondContact O-N 2.76Å; N2156-T2160 PolarHBondContact O-OG1 3.47Å
2157Q74.6Confident74Confident115 Ų115103.5 Ų103.554%0.53752%0.521SS..Hα-helixtrans-66-40.7171.5-82-173.7-33.500111.9N2153 Q2154 T2160 N2161N2153-Q2157 VanDerWaalsContact O-CB 3.3Å; N2153-Q2157 WeakPolarHBondContact O-CB 3.36Å; N2153-Q2157 WeakPolarHBondContact O-CG 3.23Å; N2153-Q2157 PolarHBondContact O-N 2.84Å; Q2154-Q2157 PolarHBondContact O-N 3.44Å; Q2157-T2160 WeakPolarHBondContact CA-OG1 3.26Å; Q2157-T2160 PolarHBondContact O-N 2.75Å; Q2157-T2160 PolarHBondContact O-OG1 3.18Å; Q2157-N2161 WeakPolarHBondContact O-CA 3.21Å; Q2157-N2161 WeakPolarHBondContact O-CB 3.48Å; Q2157-N2161 PolarHBondContact O-N 3.38Å; Q2157-N2161 PolarHBondContact O-ND2 3.21Å
2158N76.8Confident73.7Confident101 Ų101102.3 Ų102.354%0.5452%0.518SS..Hα-helixtrans-68.8-36.4175.7-72.6-12000111.1Q2154 T2162Q2154-N2158 WeakPolarHBondContact O-CB 3.17Å; Q2154-N2158 PolarHBondContact O-N 2.97Å; Q2154-N2158 PolarHBondContact O-ND2 3.16Å; N2158-T2162 WeakPolarHBondContact O-CB 3.23Å; N2158-T2162 PolarHBondContact O-N 3.49Å; N2158-T2162 PolarHBondContact O-OG1 3.38Å
2159K75.8Confident73.7Confident153 Ų15399.1 Ų99.167%0.66551%0.506SS*.Hα-helixtrans-63.8-46.4173.2-159.7-176.9-175.4-165.20111.5R2155 N2156 T2162 T2163R2155-K2159 WeakPolarHBondContact O-CB 3.46Å; R2155-K2159 PolarHBondContact O-N 3.41Å; N2156-K2159 PolarHBondContact O-N 3.11Å; K2159-T2162 PolarHBondContact O-N 3.47Å; K2159-T2163 PolarHBondContact O-N 2.83Å; K2159-T2163 PolarHBondContact O-OG1 2.69Å
2160T71.3Confident73.3Confident80 Ų80102.4 Ų102.449%0.49151%0.513SS..Hα-helixtrans-72.3-31.3177.2480000113.3N2156 Q2157 T2163 R2164N2156-T2160 PolarHBondContact O-N 2.76Å; N2156-T2160 PolarHBondContact O-OG1 3.47Å; Q2157-T2160 WeakPolarHBondContact CA-OG1 3.26Å; Q2157-T2160 PolarHBondContact O-N 2.75Å; Q2157-T2160 PolarHBondContact O-OG1 3.18Å; T2160-T2163 WeakPolarHBondContact CA-OG1 3.07Å; T2160-T2163 PolarHBondContact O-OG1 2.69Å; T2160-R2164 WeakPolarHBondContact O-CB 3.47Å; T2160-R2164 PolarHBondContact O-N 2.8Å
2161N72.6Confident72.7Confident77 Ų77102.2 Ų102.241%0.41251%0.51SS..Hα-helixtrans-71.2-31.3170.8-73.7-18.3000111.5Q2157 R2164 M2165Q2157-N2161 WeakPolarHBondContact O-CA 3.21Å; Q2157-N2161 WeakPolarHBondContact O-CB 3.48Å; Q2157-N2161 PolarHBondContact O-N 3.38Å; Q2157-N2161 PolarHBondContact O-ND2 3.21Å; N2161-R2164 PolarHBondContact O-N 3.1Å; N2161-M2165 VanDerWaalsContact O-CB 3.25Å; N2161-M2165 WeakPolarHBondContact O-CB 3.36Å; N2161-M2165 VanDerWaalsContact O-CG 3.27Å; N2161-M2165 WeakPolarHBondContact O-CG 3.45Å; N2161-M2165 PolarHBondContact O-N 3.4Å
2162T76.7Confident72.4Confident82 Ų82104 Ų10450%0.50351%0.512SS..Hα-helixtrans-68-48172.3-55.40000110.2N2158 K2159 R2164 M2165 N2166N2158-T2162 WeakPolarHBondContact O-CB 3.23Å; N2158-T2162 PolarHBondContact O-N 3.49Å; N2158-T2162 PolarHBondContact O-OG1 3.38Å; K2159-T2162 PolarHBondContact O-N 3.47Å; T2162-R2164 VanDerWaalsContact C-N 3.29Å; T2162-R2164 PolarHBondContact O-N 2.63Å; T2162-M2165 PolarHBondContact O-N 2.61Å; T2162-N2166 PolarHBondContact O-N 3.44Å; T2162-N2166 PolarHBondContact O-OD1 2.77Å
2163T70.6Confident72.1Confident79 Ų79104.4 Ų104.449%0.48552%0.516SS..Hα-helixtrans-64.5-35.1174.756.60000112K2159 T2160 N2166 M2167K2159-T2163 PolarHBondContact O-N 2.83Å; K2159-T2163 PolarHBondContact O-OG1 2.69Å; T2160-T2163 WeakPolarHBondContact CA-OG1 3.07Å; T2160-T2163 PolarHBondContact O-OG1 2.69Å; T2163-N2166 PolarHBondContact O-N 2.99Å; T2163-M2167 WeakPolarHBondContact O-CB 3.35Å; T2163-M2167 WeakPolarHBondContact O-CG 3.47Å; T2163-M2167 PolarHBondContact O-N 3.44Å
2164R68.2Low71.8Confident164 Ų164106.9 Ų106.962%0.61952%0.518SS*.Hα-helixtrans-71.1-33.9175.4-164.5179.6-144.5141.75.3112.9T2160 N2161 T2162 L2168T2160-R2164 WeakPolarHBondContact O-CB 3.47Å; T2160-R2164 PolarHBondContact O-N 2.8Å; N2161-R2164 PolarHBondContact O-N 3.1Å; T2162-R2164 VanDerWaalsContact C-N 3.29Å; T2162-R2164 PolarHBondContact O-N 2.63Å; R2164-L2168 HydrophobicContact CG-CD1 4.3Å; R2164-L2168 VanDerWaalsContact O-CB 3.28Å; R2164-L2168 WeakPolarHBondContact O-CB 3.23Å; R2164-L2168 WeakPolarHBondContact O-CG 3.36Å; R2164-L2168 PolarHBondContact O-N 3.46Å
2165M69.4Low71.4Confident129 Ų129106.6 Ų106.664%0.63552%0.519SS*.Hα-helixtrans-72.5-37.2172.5-79.6-65.9179.500111.5N2161 T2162 L2168 S2169N2161-M2165 VanDerWaalsContact O-CB 3.25Å; N2161-M2165 WeakPolarHBondContact O-CB 3.36Å; N2161-M2165 VanDerWaalsContact O-CG 3.27Å; N2161-M2165 WeakPolarHBondContact O-CG 3.45Å; N2161-M2165 PolarHBondContact O-N 3.4Å; T2162-M2165 PolarHBondContact O-N 2.61Å; M2165-L2168 PolarHBondContact O-N 3.34Å; M2165-L2168 HydrophobicContact SD-CD1 4.29Å; M2165-S2169 WeakPolarHBondContact O-CB 3.24Å; M2165-S2169 PolarHBondContact O-N 2.9Å; M2165-S2169 PolarHBondContact O-OG 2.94Å
2166N68.8Low71Confident94 Ų94102.7 Ų102.750%0.50351%0.511SS..Hα-helixtrans-61.2-49.7170.1-70.411.5000110.2T2162 T2163 L2168 S2169 E2170T2162-N2166 PolarHBondContact O-N 3.44Å; T2162-N2166 PolarHBondContact O-OD1 2.77Å; T2163-N2166 PolarHBondContact O-N 2.99Å; N2166-L2168 VanDerWaalsContact C-N 3.35Å; N2166-L2168 PolarHBondContact O-N 3.29Å; N2166-S2169 WeakPolarHBondContact CA-OG 3.34Å; N2166-S2169 PolarHBondContact O-N 2.8Å; N2166-S2169 PolarHBondContact O-OG 3.19Å; N2166-E2170 PolarHBondContact O-N 3.2Å
2167M64.4Low70.8Confident116 Ų116103.6 Ų103.657%0.57152%0.515SS*.Hα-helixtrans-56.3-44.3172.7-76.3177.868.600112.5T2163 E2170 Q2171T2163-M2167 WeakPolarHBondContact O-CB 3.35Å; T2163-M2167 WeakPolarHBondContact O-CG 3.47Å; T2163-M2167 PolarHBondContact O-N 3.44Å; M2167-E2170 PolarHBondContact O-N 3.29Å; M2167-Q2171 WeakPolarHBondContact O-CB 3.29Å; M2167-Q2171 VanDerWaalsContact O-CG 3.29Å; M2167-Q2171 WeakPolarHBondContact O-CG 3.31Å; M2167-Q2171 PolarHBondContact O-N 2.66Å
2168L71.4Confident70.6Confident85 Ų85101.5 Ų101.545%0.44551%0.506SS..Hα-helixtrans-68.3-34.5178.6-77.7167.3000112R2164 M2165 N2166 Q2171 H2172R2164-L2168 HydrophobicContact CG-CD1 4.3Å; R2164-L2168 VanDerWaalsContact O-CB 3.28Å; R2164-L2168 WeakPolarHBondContact O-CB 3.23Å; R2164-L2168 WeakPolarHBondContact O-CG 3.36Å; R2164-L2168 PolarHBondContact O-N 3.46Å; M2165-L2168 PolarHBondContact O-N 3.34Å; M2165-L2168 HydrophobicContact SD-CD1 4.29Å; N2166-L2168 VanDerWaalsContact C-N 3.35Å; N2166-L2168 PolarHBondContact O-N 3.29Å; L2168-Q2171 PolarHBondContact O-N 2.88Å; L2168-H2172 VanDerWaalsContact O-CB 3.28Å; L2168-H2172 WeakPolarHBondContact O-CB 3.19Å; L2168-H2172 PolarHBondContact O-N 3.49Å
2169S73.4Confident70.4Confident59 Ų59102.4 Ų102.441%0.41351%0.506SS..Hα-helixtrans-70.2-4017469.20000111.7M2165 N2166 H2172 I2173M2165-S2169 WeakPolarHBondContact O-CB 3.24Å; M2165-S2169 PolarHBondContact O-N 2.9Å; M2165-S2169 PolarHBondContact O-OG 2.94Å; N2166-S2169 WeakPolarHBondContact CA-OG 3.34Å; N2166-S2169 PolarHBondContact O-N 2.8Å; N2166-S2169 PolarHBondContact O-OG 3.19Å; S2169-H2172 PolarHBondContact O-N 3.32Å; S2169-I2173 WeakPolarHBondContact O-CB 3.39Å; S2169-I2173 WeakPolarHBondContact O-CD1 3.48Å; S2169-I2173 VanDerWaalsContact O-CG1 3.24Å; S2169-I2173 WeakPolarHBondContact O-CG1 3.45Å; S2169-I2173 PolarHBondContact O-N 2.66Å
2170E68.8Low70.1Confident102 Ų10298.4 Ų98.448%0.47749%0.492SS..Hα-helixtrans-62.2-46169.3-84.6-168.6-146.400111.4N2166 M2167 H2172 I2173 R2174N2166-E2170 PolarHBondContact O-N 3.2Å; M2167-E2170 PolarHBondContact O-N 3.29Å; E2170-H2172 VanDerWaalsContact C-N 3.32Å; E2170-H2172 PolarHBondContact O-N 3.43Å; E2170-I2173 CarbonylContact O-C 3.58Å; E2170-I2173 PolarHBondContact O-N 2.73Å; E2170-R2174 WeakPolarHBondContact O-CB 3.32Å; E2170-R2174 WeakPolarHBondContact O-CG 3.12Å; E2170-R2174 PolarHBondContact O-N 3.22Å; E2170-R2174 IonicContact OE2-CZ 3.08Å; E2170-R2174 IonicContact OE2-NE 3.82Å; E2170-R2174 IonicContact OE2-NH2 2.63Å; E2170-R2174 PolarHBondContact OE2-NH2 3.43Å
2171Q65.2Low70.3Confident87 Ų8797.8 Ų97.841%0.40749%0.488SS..Hα-helixtrans-62.5-38.3176.5-76.8-176.8-59.900111.4M2167 L2168 I2173 R2174 L2175M2167-Q2171 WeakPolarHBondContact O-CB 3.29Å; M2167-Q2171 VanDerWaalsContact O-CG 3.29Å; M2167-Q2171 WeakPolarHBondContact O-CG 3.31Å; M2167-Q2171 PolarHBondContact O-N 2.66Å; L2168-Q2171 PolarHBondContact O-N 2.88Å; Q2171-I2173 VanDerWaalsContact C-N 3.35Å; Q2171-R2174 PolarHBondContact O-N 3.39Å; Q2171-L2175 VanDerWaalsContact O-CB 3.25Å; Q2171-L2175 WeakPolarHBondContact O-CB 3.36Å; Q2171-L2175 WeakPolarHBondContact O-CG 3.17Å; Q2171-L2175 PolarHBondContact O-N 2.69Å
2172H70.8Confident70Confident125 Ų12597.8 Ų97.858%0.57949%0.488SS*.Hα-helixtrans-71.3-30.7177.5-153.6-35.5000112.3L2168 S2169 E2170 L2176L2168-H2172 VanDerWaalsContact O-CB 3.28Å; L2168-H2172 WeakPolarHBondContact O-CB 3.19Å; L2168-H2172 PolarHBondContact O-N 3.49Å; S2169-H2172 PolarHBondContact O-N 3.32Å; E2170-H2172 VanDerWaalsContact C-N 3.32Å; E2170-H2172 PolarHBondContact O-N 3.43Å; H2172-L2176 WeakPolarHBondContact O-CB 3.02Å; H2172-L2176 PolarHBondContact O-N 2.93Å
2173I70.4Confident69.5Low103 Ų10399.6 Ų99.653%0.52849%0.492SS..Hα-helixtrans-72-40.9170.3-69.7164.8000110.8S2169 E2170 Q2171 N2177S2169-I2173 WeakPolarHBondContact O-CB 3.39Å; S2169-I2173 WeakPolarHBondContact O-CD1 3.48Å; S2169-I2173 VanDerWaalsContact O-CG1 3.24Å; S2169-I2173 WeakPolarHBondContact O-CG1 3.45Å; S2169-I2173 PolarHBondContact O-N 2.66Å; E2170-I2173 CarbonylContact O-C 3.58Å; E2170-I2173 PolarHBondContact O-N 2.73Å; Q2171-I2173 VanDerWaalsContact C-N 3.35Å; I2173-N2177 WeakPolarHBondContact O-CB 3.43Å; I2173-N2177 PolarHBondContact O-N 3.39Å; I2173-N2177 PolarHBondContact O-ND2 2.95Å
2174R66.7Low69.6Low151 Ų151104.1 Ų104.157%0.5750%0.5SS*.Hα-helixtrans-62-51.1174.2-70.4169.3-162.3-139.48.1110.2E2170 Q2171 L2176 N2177 E2178E2170-R2174 WeakPolarHBondContact O-CB 3.32Å; E2170-R2174 WeakPolarHBondContact O-CG 3.12Å; E2170-R2174 PolarHBondContact O-N 3.22Å; E2170-R2174 IonicContact OE2-CZ 3.08Å; E2170-R2174 IonicContact OE2-NE 3.82Å; E2170-R2174 IonicContact OE2-NH2 2.63Å; E2170-R2174 PolarHBondContact OE2-NH2 3.43Å; Q2171-R2174 PolarHBondContact O-N 3.39Å; R2174-L2176 PolarHBondContact O-N 3.38Å; R2174-N2177 CarbonylContact O-C 3.57Å; R2174-N2177 WeakPolarHBondContact O-CA 3.21Å; R2174-N2177 WeakPolarHBondContact O-CB 3.37Å; R2174-N2177 PolarHBondContact O-N 2.7Å; R2174-N2177 VanDerWaalsContact O-N 3.08Å; R2174-E2178 WeakPolarHBondContact O-CG 3.32Å; R2174-E2178 PolarHBondContact O-N 3.49Å
2175L69.1Low69.8Low94 Ų94100.5 Ų100.549%0.49249%0.49SS..Hα-helixtrans-59.8-41.1177.3-74167.2000112.8Q2171 E2178 E2179Q2171-L2175 VanDerWaalsContact O-CB 3.25Å; Q2171-L2175 WeakPolarHBondContact O-CB 3.36Å; Q2171-L2175 WeakPolarHBondContact O-CG 3.17Å; Q2171-L2175 PolarHBondContact O-N 2.69Å; L2175-E2178 CarbonylContact O-C 3.52Å; L2175-E2178 PolarHBondContact O-N 2.87Å; L2175-E2179 WeakPolarHBondContact O-CG 3.32Å; L2175-E2179 PolarHBondContact O-N 2.74Å
2176L69.3Low69.9Low84 Ų84100.4 Ų100.444%0.4449%0.488SS..Hα-helixtrans-65.5-37.7173.7-96.5160.6000112.4H2172 R2174 I2180H2172-L2176 WeakPolarHBondContact O-CB 3.02Å; H2172-L2176 PolarHBondContact O-N 2.93Å; R2174-L2176 PolarHBondContact O-N 3.38Å; L2176-I2180 WeakPolarHBondContact O-CB 3.41Å; L2176-I2180 WeakPolarHBondContact O-CD1 3.48Å; L2176-I2180 WeakPolarHBondContact O-CG1 3.3Å; L2176-I2180 PolarHBondContact O-N 3.23Å; L2176-I2180 VanDerWaalsContact O-N 3.09Å
2177N72.6Confident70Confident95 Ų95101.6 Ų101.651%0.50849%0.494SS..Hα-helixtrans-67.5-39.2172.2-76.1-61.5000111.4I2173 R2174 I2180 T2181I2173-N2177 WeakPolarHBondContact O-CB 3.43Å; I2173-N2177 PolarHBondContact O-N 3.39Å; I2173-N2177 PolarHBondContact O-ND2 2.95Å; R2174-N2177 CarbonylContact O-C 3.57Å; R2174-N2177 WeakPolarHBondContact O-CA 3.21Å; R2174-N2177 WeakPolarHBondContact O-CB 3.37Å; R2174-N2177 PolarHBondContact O-N 2.7Å; R2174-N2177 VanDerWaalsContact O-N 3.08Å; N2177-I2180 PolarHBondContact O-N 3.4Å; N2177-T2181 PolarHBondContact O-N 3Å; N2177-T2181 PolarHBondContact O-OG1 3.13Å
2178E70.3Confident70.5Confident72 Ų7298.6 Ų98.634%0.33649%0.488SS..Hα-helixtrans-66.8-40.5176.2-77.3-175.7122.100112.5R2174 L2175 I2180 T2181 N2182R2174-E2178 WeakPolarHBondContact O-CG 3.32Å; R2174-E2178 PolarHBondContact O-N 3.49Å; L2175-E2178 CarbonylContact O-C 3.52Å; L2175-E2178 PolarHBondContact O-N 2.87Å; E2178-I2180 VanDerWaalsContact C-N 3.33Å; E2178-I2180 PolarHBondContact O-N 2.98Å; E2178-T2181 WeakPolarHBondContact CA-OG1 3.48Å; E2178-T2181 PolarHBondContact O-N 2.91Å; E2178-T2181 PolarHBondContact O-OG1 3.26Å; E2178-T2181 VanDerWaalsContact O-OG1 3.07Å; E2178-N2182 WeakPolarHBondContact O-CB 3.45Å; E2178-N2182 PolarHBondContact O-N 3.48Å; E2178-N2182 PolarHBondContact O-ND2 3.47Å
2179E72.7Confident70.5Confident119 Ų11997.5 Ų97.556%0.55648%0.482SS*.Hα-helixtrans-63.8-39171.9-76.6-171.5147.200111.3L2175 N2182 M2183L2175-E2179 WeakPolarHBondContact O-CG 3.32Å; L2175-E2179 PolarHBondContact O-N 2.74Å; E2179-N2182 PolarHBondContact O-N 3.17Å; E2179-M2183 WeakPolarHBondContact O-CB 3.41Å; E2179-M2183 WeakPolarHBondContact O-CE 3.28Å; E2179-M2183 WeakPolarHBondContact O-CG 3.07Å; E2179-M2183 PolarHBondContact O-N 3.07Å
2180I69.9Low70.4Confident69 Ų6999 Ų9935%0.35449%0.489SS..Hα-helixtrans-68.4-38.2175.6-70.6167.9000111.4L2176 N2177 E2178 M2183 R2184L2176-I2180 WeakPolarHBondContact O-CB 3.41Å; L2176-I2180 WeakPolarHBondContact O-CD1 3.48Å; L2176-I2180 WeakPolarHBondContact O-CG1 3.3Å; L2176-I2180 PolarHBondContact O-N 3.23Å; L2176-I2180 VanDerWaalsContact O-N 3.09Å; N2177-I2180 PolarHBondContact O-N 3.4Å; E2178-I2180 VanDerWaalsContact C-N 3.33Å; E2178-I2180 PolarHBondContact O-N 2.98Å; I2180-M2183 HydrophobicContact CG1-CE 4.5Å; I2180-R2184 WeakPolarHBondContact O-CB 3.32Å; I2180-R2184 WeakPolarHBondContact O-CD 3.37Å; I2180-R2184 VanDerWaalsContact O-CG 3.22Å; I2180-R2184 WeakPolarHBondContact O-CG 3.35Å; I2180-R2184 PolarHBondContact O-N 3.33Å
2181T74.2Confident70.5Confident68 Ų6899.6 Ų99.642%0.41749%0.492SS..Hα-helixtrans-72-41.2172.850.70000111.9N2177 E2178 M2183 R2184 E2185N2177-T2181 PolarHBondContact O-N 3Å; N2177-T2181 PolarHBondContact O-OG1 3.13Å; E2178-T2181 WeakPolarHBondContact CA-OG1 3.48Å; E2178-T2181 PolarHBondContact O-N 2.91Å; E2178-T2181 PolarHBondContact O-OG1 3.26Å; E2178-T2181 VanDerWaalsContact O-OG1 3.07Å; T2181-M2183 PolarHBondContact O-N 3.48Å; T2181-R2184 CarbonylContact O-C 3.56Å; T2181-R2184 WeakPolarHBondContact O-CB 3.38Å; T2181-R2184 PolarHBondContact O-N 3Å; T2181-R2184 VanDerWaalsContact O-N 3.17Å; T2181-E2185 VanDerWaalsContact O-CB 3.3Å; T2181-E2185 WeakPolarHBondContact O-CB 3.36Å; T2181-E2185 PolarHBondContact O-N 3.2Å
2182N66.6Low70.9Confident76 Ų76101 Ų10141%0.40650%0.497SS..Hα-helixtrans-66.7-36.8178.5-71.8-16.2000111.6E2178 E2179 E2185 H2186E2178-N2182 WeakPolarHBondContact O-CB 3.45Å; E2178-N2182 PolarHBondContact O-N 3.48Å; E2178-N2182 PolarHBondContact O-ND2 3.47Å; E2179-N2182 PolarHBondContact O-N 3.17Å; N2182-E2185 PolarHBondContact O-N 3.3Å; N2182-H2186 VanDerWaalsContact O-CB 3.29Å; N2182-H2186 WeakPolarHBondContact O-CB 3.45Å; N2182-H2186 PolarHBondContact O-CD2 3.5Å; N2182-H2186 VanDerWaalsContact O-CG 3.32Å; N2182-H2186 PolarHBondContact O-N 2.94Å
2183M67.7Low70.9Confident120 Ų120100.9 Ų100.959%0.59150%0.496SS*.Hα-helixtrans-65.3-41.6170.9-78.9-171.4-7600111.8E2179 I2180 T2181 E2185 L2187E2179-M2183 WeakPolarHBondContact O-CB 3.41Å; E2179-M2183 WeakPolarHBondContact O-CE 3.28Å; E2179-M2183 WeakPolarHBondContact O-CG 3.07Å; E2179-M2183 PolarHBondContact O-N 3.07Å; I2180-M2183 HydrophobicContact CG1-CE 4.5Å; T2181-M2183 PolarHBondContact O-N 3.48Å; M2183-E2185 VanDerWaalsContact C-N 3.34Å; M2183-L2187 WeakPolarHBondContact O-CB 3.29Å; M2183-L2187 PolarHBondContact O-N 2.85Å
2184R72.4Confident70.9Confident175 Ų175100.3 Ų100.366%0.6649%0.493SS*.Hα-helixtrans-64.8-38.6173.9-72.9168.51781740.7111.9I2180 T2181 L2187 A2188I2180-R2184 WeakPolarHBondContact O-CB 3.32Å; I2180-R2184 WeakPolarHBondContact O-CD 3.37Å; I2180-R2184 VanDerWaalsContact O-CG 3.22Å; I2180-R2184 WeakPolarHBondContact O-CG 3.35Å; I2180-R2184 PolarHBondContact O-N 3.33Å; T2181-R2184 CarbonylContact O-C 3.56Å; T2181-R2184 WeakPolarHBondContact O-CB 3.38Å; T2181-R2184 PolarHBondContact O-N 3Å; T2181-R2184 VanDerWaalsContact O-N 3.17Å; R2184-L2187 PolarHBondContact O-N 2.73Å; R2184-A2188 WeakPolarHBondContact O-CB 3.4Å; R2184-A2188 PolarHBondContact O-N 2.88Å
2185E71.9Confident71.2Confident88 Ų8896.8 Ų96.841%0.41149%0.486SS..Hα-helixtrans-75-38.7-179.7-154.4-162.9125.300111.4T2181 N2182 M2183 L2187 A2188 N2189T2181-E2185 VanDerWaalsContact O-CB 3.3Å; T2181-E2185 WeakPolarHBondContact O-CB 3.36Å; T2181-E2185 PolarHBondContact O-N 3.2Å; N2182-E2185 PolarHBondContact O-N 3.3Å; M2183-E2185 VanDerWaalsContact C-N 3.34Å; E2185-L2187 VanDerWaalsContact C-N 3.32Å; E2185-L2187 PolarHBondContact O-N 3.26Å; E2185-A2188 CarbonylContact O-C 3.59Å; E2185-A2188 PolarHBondContact O-N 2.81Å; E2185-N2189 WeakPolarHBondContact O-CA 3.27Å; E2185-N2189 WeakPolarHBondContact O-CB 3.36Å; E2185-N2189 PolarHBondContact O-N 3.12Å; E2185-N2189 PolarHBondContact O-ND2 3.29Å; E2185-N2189 PolarHBondContact OE1-ND2 2.87Å
2186H71.9Confident71.3Confident126 Ų12695.5 Ų95.558%0.58348%0.479SS*.Hα-helixtrans-63.8-36.9170.2-77.2-53.4000111.9N2182 T2190N2182-H2186 VanDerWaalsContact O-CB 3.29Å; N2182-H2186 WeakPolarHBondContact O-CB 3.45Å; N2182-H2186 PolarHBondContact O-CD2 3.5Å; N2182-H2186 VanDerWaalsContact O-CG 3.32Å; N2182-H2186 PolarHBondContact O-N 2.94Å; H2186-T2190 WeakPolarHBondContact O-CB 3.32Å; H2186-T2190 WeakPolarHBondContact O-CG2 3.37Å; H2186-T2190 PolarHBondContact O-N 3.45Å; H2186-T2190 PolarHBondContact O-OG1 3Å
2187L70.3Confident71.2Confident119 Ų11996.9 Ų96.962%0.62349%0.487SS*.Hα-helixtrans-68.8-42.2174.3-151.7161.4000110.7M2183 R2184 E2185 T2190 Q2191M2183-L2187 WeakPolarHBondContact O-CB 3.29Å; M2183-L2187 PolarHBondContact O-N 2.85Å; R2184-L2187 PolarHBondContact O-N 2.73Å; E2185-L2187 VanDerWaalsContact C-N 3.32Å; E2185-L2187 PolarHBondContact O-N 3.26Å; L2187-T2190 WeakPolarHBondContact CA-OG1 3.42Å; L2187-T2190 PolarHBondContact O-OG1 2.87Å; L2187-T2190 VanDerWaalsContact O-OG1 3.11Å; L2187-Q2191 VanDerWaalsContact O-CB 3.27Å; L2187-Q2191 WeakPolarHBondContact O-CB 3.44Å; L2187-Q2191 PolarHBondContact O-N 3.41Å
2188A74.4Confident71.2Confident54 Ų54100 Ų10045%0.44649%0.492SS..Hα-helixtrans-65.1-40172.900000113R2184 E2185 K2192R2184-A2188 WeakPolarHBondContact O-CB 3.4Å; R2184-A2188 PolarHBondContact O-N 2.88Å; E2185-A2188 CarbonylContact O-C 3.59Å; E2185-A2188 PolarHBondContact O-N 2.81Å; A2188-K2192 WeakPolarHBondContact O-CB 3.45Å; A2188-K2192 PolarHBondContact O-N 3.31Å
2189N70.9Confident71.4Confident61 Ų61101.8 Ų101.833%0.32650%0.502SS..Hα-helixtrans-76.7-28-179.2-75.9-24.6000112.1E2185 H2193E2185-N2189 WeakPolarHBondContact O-CA 3.27Å; E2185-N2189 WeakPolarHBondContact O-CB 3.36Å; E2185-N2189 PolarHBondContact O-N 3.12Å; E2185-N2189 PolarHBondContact O-ND2 3.29Å; E2185-N2189 PolarHBondContact OE1-ND2 2.87Å; N2189-H2193 VanDerWaalsContact O-CB 3.27Å; N2189-H2193 WeakPolarHBondContact O-CB 3.39Å; N2189-H2193 PolarHBondContact O-N 2.74Å
2190T72.1Confident71.2Confident90 Ų9098.6 Ų98.655%0.55250%0.496SS*.Hα-helixtrans-76-41.7169.147.20000111.4H2186 L2187 K2192 H2193 L2194H2186-T2190 WeakPolarHBondContact O-CB 3.32Å; H2186-T2190 WeakPolarHBondContact O-CG2 3.37Å; H2186-T2190 PolarHBondContact O-N 3.45Å; H2186-T2190 PolarHBondContact O-OG1 3Å; L2187-T2190 WeakPolarHBondContact CA-OG1 3.42Å; L2187-T2190 PolarHBondContact O-OG1 2.87Å; L2187-T2190 VanDerWaalsContact O-OG1 3.11Å; T2190-K2192 VanDerWaalsContact C-N 3.3Å; T2190-K2192 PolarHBondContact O-N 3.39Å; T2190-H2193 PolarHBondContact O-N 3.16Å; T2190-L2194 WeakPolarHBondContact O-CB 3.47Å; T2190-L2194 PolarHBondContact O-N 3.47Å
2191Q71.8Confident71.1Confident116 Ų116100 Ų10054%0.54250%0.504SS..Hα-helixtrans-57.5-44.8169.8-166.380.4-2.700111L2187 L2194 N2195L2187-Q2191 VanDerWaalsContact O-CB 3.27Å; L2187-Q2191 WeakPolarHBondContact O-CB 3.44Å; L2187-Q2191 PolarHBondContact O-N 3.41Å; Q2191-L2194 PolarHBondContact O-N 2.77Å; Q2191-N2195 PolarHBondContact O-N 2.98Å; Q2191-N2195 VanDerWaalsContact O-N 3.09Å
2192K73.5Confident71.1Confident116 Ų116102.1 Ų102.150%0.50451%0.513SS..Hα-helixtrans-64.6-48.3175-173.5-175.1174-171.50111.1A2188 T2190 L2194 N2195 D2196A2188-K2192 WeakPolarHBondContact O-CB 3.45Å; A2188-K2192 PolarHBondContact O-N 3.31Å; T2190-K2192 VanDerWaalsContact C-N 3.3Å; T2190-K2192 PolarHBondContact O-N 3.39Å; K2192-L2194 PolarHBondContact O-N 3.37Å; K2192-N2195 CarbonylContact O-C 3.6Å; K2192-N2195 PolarHBondContact O-N 3.24Å; K2192-N2195 VanDerWaalsContact O-N 3.09Å; K2192-D2196 VanDerWaalsContact CE-OD2 3.23Å; K2192-D2196 WeakPolarHBondContact CE-OD2 3.45Å; K2192-D2196 WeakPolarHBondContact CG-OD2 3.36Å; K2192-D2196 WeakPolarHBondContact O-CB 3.3Å; K2192-D2196 VanDerWaalsContact O-CG 3.31Å; K2192-D2196 PolarHBondContact O-N 3.49Å
2193H69.8Low71.4Confident122 Ų122104.8 Ų104.857%0.56552%0.521SS*.Hα-helixtrans-58.6-34.5175.5-101.6-57.1000112.8N2189 T2190 L2197N2189-H2193 VanDerWaalsContact O-CB 3.27Å; N2189-H2193 WeakPolarHBondContact O-CB 3.39Å; N2189-H2193 PolarHBondContact O-N 2.74Å; T2190-H2193 PolarHBondContact O-N 3.16Å; H2193-L2197 WeakPolarHBondContact O-CB 3.29Å; H2193-L2197 WeakPolarHBondContact O-CD1 3.4Å; H2193-L2197 WeakPolarHBondContact O-CG 3.4Å; H2193-L2197 PolarHBondContact O-N 2.9Å
2194L70.7Confident71.5Confident91 Ų91102.4 Ų102.448%0.47651%0.508SS..Hα-helixtrans-69.1-39176.8-145.3168.7000111.1T2190 Q2191 K2192 R2198T2190-L2194 WeakPolarHBondContact O-CB 3.47Å; T2190-L2194 PolarHBondContact O-N 3.47Å; Q2191-L2194 PolarHBondContact O-N 2.77Å; K2192-L2194 PolarHBondContact O-N 3.37Å; L2194-R2198 WeakPolarHBondContact O-CG 3.42Å; L2194-R2198 PolarHBondContact O-N 3.13Å; L2194-R2198 VanDerWaalsContact O-N 3.12Å
2195N74Confident71.4Confident77 Ų7799.2 Ų99.241%0.41250%0.502SS..Hα-helixtrans-70.4-47172.9-70.7-17.9000112.3Q2191 K2192 L2197 R2198 I2199Q2191-N2195 PolarHBondContact O-N 2.98Å; Q2191-N2195 VanDerWaalsContact O-N 3.09Å; K2192-N2195 CarbonylContact O-C 3.6Å; K2192-N2195 PolarHBondContact O-N 3.24Å; K2192-N2195 VanDerWaalsContact O-N 3.09Å; N2195-L2197 VanDerWaalsContact C-N 3.31Å; N2195-L2197 PolarHBondContact O-N 2.84Å; N2195-R2198 WeakPolarHBondContact O-CB 3.27Å; N2195-R2198 PolarHBondContact O-N 2.97Å; N2195-R2198 VanDerWaalsContact O-N 3.1Å; N2195-I2199 VanDerWaalsContact O-CG1 3.32Å; N2195-I2199 WeakPolarHBondContact O-CG1 3.34Å; N2195-I2199 PolarHBondContact O-N 3.32Å
2196D71.4Confident71.5Confident67 Ų67101.6 Ų101.636%0.35851%0.511SS..Hα-helixtrans-63.5-35.4177.9-70.9-2.1000111K2192 A2200K2192-D2196 VanDerWaalsContact CE-OD2 3.23Å; K2192-D2196 WeakPolarHBondContact CE-OD2 3.45Å; K2192-D2196 WeakPolarHBondContact CG-OD2 3.36Å; K2192-D2196 WeakPolarHBondContact O-CB 3.3Å; K2192-D2196 VanDerWaalsContact O-CG 3.31Å; K2192-D2196 PolarHBondContact O-N 3.49Å; D2196-A2200 WeakPolarHBondContact O-CA 3.16Å; D2196-A2200 WeakPolarHBondContact O-CB 3.14Å; D2196-A2200 PolarHBondContact O-N 3.35Å
2197L66.2Low71.2Confident114 Ų11498 Ų9860%0.59750%0.496SS*.Hα-helixtrans-71.1-33.3172.1-78.1167.6000112.6H2193 N2195 L2201H2193-L2197 WeakPolarHBondContact O-CB 3.29Å; H2193-L2197 WeakPolarHBondContact O-CD1 3.4Å; H2193-L2197 WeakPolarHBondContact O-CG 3.4Å; H2193-L2197 PolarHBondContact O-N 2.9Å; N2195-L2197 VanDerWaalsContact C-N 3.31Å; N2195-L2197 PolarHBondContact O-N 2.84Å; L2197-L2201 WeakPolarHBondContact O-CB 3.44Å; L2197-L2201 PolarHBondContact O-N 3.44Å
2198R72.7Confident71.3Confident160 Ų16097.4 Ų97.460%0.60449%0.488SS*.Hα-helixtrans-66.7-51170.6-78174.5172.6-166.9-2.6111L2194 N2195 A2200 L2201 D2202L2194-R2198 WeakPolarHBondContact O-CG 3.42Å; L2194-R2198 PolarHBondContact O-N 3.13Å; L2194-R2198 VanDerWaalsContact O-N 3.12Å; N2195-R2198 WeakPolarHBondContact O-CB 3.27Å; N2195-R2198 PolarHBondContact O-N 2.97Å; N2195-R2198 VanDerWaalsContact O-N 3.1Å; R2198-A2200 VanDerWaalsContact C-N 3.29Å; R2198-A2200 PolarHBondContact O-N 3.49Å; R2198-L2201 PolarHBondContact O-N 2.94Å; R2198-L2201 VanDerWaalsContact O-N 3.1Å; R2198-D2202 PolarHBondContact O-N 3.26Å
2199I73.5Confident71Confident110 Ų11099.6 Ų99.656%0.56449%0.492SS*.Hα-helixtrans-59.9-40.6177-66.3164.3000110.4N2195 K2203N2195-I2199 VanDerWaalsContact O-CG1 3.32Å; N2195-I2199 WeakPolarHBondContact O-CG1 3.34Å; N2195-I2199 PolarHBondContact O-N 3.32Å; I2199-K2203 WeakPolarHBondContact O-CB 3.33Å; I2199-K2203 PolarHBondContact O-N 3.31Å
2200A68.8Low70.8Confident52 Ų52100.3 Ų100.343%0.4350%0.496SS..Hα-helixtrans-70.2-34.2175.500000112.5D2196 R2198 E2204D2196-A2200 WeakPolarHBondContact O-CA 3.16Å; D2196-A2200 WeakPolarHBondContact O-CB 3.14Å; D2196-A2200 PolarHBondContact O-N 3.35Å; R2198-A2200 VanDerWaalsContact C-N 3.29Å; R2198-A2200 PolarHBondContact O-N 3.49Å; A2200-E2204 WeakPolarHBondContact O-CB 3.43Å; A2200-E2204 PolarHBondContact O-N 3.42Å
2201L69.1Low70.5Confident98 Ų98102.3 Ų102.351%0.51349%0.493SS..Hα-helixtrans-71.2-45.7175.4-176.864.9000111.5L2197 R2198 K2203 E2204 M2205L2197-L2201 WeakPolarHBondContact O-CB 3.44Å; L2197-L2201 PolarHBondContact O-N 3.44Å; R2198-L2201 PolarHBondContact O-N 2.94Å; R2198-L2201 VanDerWaalsContact O-N 3.1Å; L2201-K2203 VanDerWaalsContact C-N 3.32Å; L2201-K2203 PolarHBondContact O-N 3.2Å; L2201-E2204 PolarHBondContact O-N 2.83Å; L2201-M2205 WeakPolarHBondContact O-CB 3.34Å; L2201-M2205 VanDerWaalsContact O-CG 3.26Å; L2201-M2205 WeakPolarHBondContact O-CG 3.36Å; L2201-M2205 PolarHBondContact O-N 2.8Å
2202D73.9Confident70.2Confident112 Ų112103.1 Ų103.160%0.59950%0.495SS*.Hα-helixtrans-63.6-40174.5-72.4-29.5000110.9R2198 K2206R2198-D2202 PolarHBondContact O-N 3.26Å; D2202-K2206 VanDerWaalsContact O-CB 3.25Å; D2202-K2206 WeakPolarHBondContact O-CB 3.43Å; D2202-K2206 PolarHBondContact O-N 3.48Å
2203K72Confident70Confident132 Ų132101.5 Ų101.557%0.57449%0.489SS*.Hα-helixtrans-67.8-38.5172.6-174.4175.6179.3-179.80112.1I2199 L2201 K2206 D2207I2199-K2203 WeakPolarHBondContact O-CB 3.33Å; I2199-K2203 PolarHBondContact O-N 3.31Å; L2201-K2203 VanDerWaalsContact C-N 3.32Å; L2201-K2203 PolarHBondContact O-N 3.2Å; K2203-K2206 PolarHBondContact O-N 3.26Å; K2203-D2207 WeakPolarHBondContact O-CA 3.44Å; K2203-D2207 WeakPolarHBondContact O-CB 3.43Å; K2203-D2207 VanDerWaalsContact O-CG 3.23Å; K2203-D2207 PolarHBondContact O-N 2.71Å
2204E70.7Confident69.7Low71 Ų7198 Ų9833%0.33248%0.481SS..Hα-helixtrans-76-28.8179.7-153.2-103.2157.100111.8A2200 L2201 K2208A2200-E2204 WeakPolarHBondContact O-CB 3.43Å; A2200-E2204 PolarHBondContact O-N 3.42Å; L2201-E2204 PolarHBondContact O-N 2.83Å; E2204-K2208 WeakPolarHBondContact O-CB 3.45Å; E2204-K2208 VanDerWaalsContact O-CG 3.24Å; E2204-K2208 WeakPolarHBondContact O-CG 3.39Å; E2204-K2208 PolarHBondContact O-N 2.77Å; E2204-K2208 WeakPolarHBondContact OE1-CE 3.25Å; E2204-K2208 IonicContact OE1-NZ 3.59Å; E2204-K2208 PolarHBondContact OE1-NZ 2.77Å; E2204-K2208 IonicContact OE2-NZ 3.72Å; E2204-K2208 PolarHBondContact OE2-NZ 3.36Å
2205M69Low69.3Low108 Ų10896.5 Ų96.553%0.53248%0.481SS..Hα-helixtrans-66.1-50166-75.6-69.8-168.100111.6L2201 K2208 I2209L2201-M2205 WeakPolarHBondContact O-CB 3.34Å; L2201-M2205 VanDerWaalsContact O-CG 3.26Å; L2201-M2205 WeakPolarHBondContact O-CG 3.36Å; L2201-M2205 PolarHBondContact O-N 2.8Å; M2205-K2208 WeakPolarHBondContact O-CB 3.26Å; M2205-K2208 PolarHBondContact O-N 2.77Å; M2205-K2208 VanDerWaalsContact O-N 3.15Å; M2205-I2209 WeakPolarHBondContact O-CG1 3.27Å; M2205-I2209 PolarHBondContact O-N 3.34Å
2206K74.2Confident68.8Low137 Ų13797.3 Ų97.360%0.59648%0.483SS*.Hα-helixtrans-65.2-48.2178.7-175.8161.6-176.6173.70111.4D2202 K2203 K2208 I2209 D2210D2202-K2206 VanDerWaalsContact O-CB 3.25Å; D2202-K2206 WeakPolarHBondContact O-CB 3.43Å; D2202-K2206 PolarHBondContact O-N 3.48Å; K2203-K2206 PolarHBondContact O-N 3.26Å; K2206-K2208 PolarHBondContact O-N 3.28Å; K2206-I2209 CarbonylContact O-C 3.53Å; K2206-I2209 PolarHBondContact O-N 2.71Å; K2206-I2209 VanDerWaalsContact O-N 3.09Å; K2206-D2210 WeakPolarHBondContact CG-OD2 3.33Å; K2206-D2210 WeakPolarHBondContact O-CB 3.46Å; K2206-D2210 PolarHBondContact O-N 3.34Å
2207D66Low68.5Low51 Ų51102.4 Ų102.427%0.27350%0.497SS..Hα-helixtrans-56.4-34.9169.8-83.520.9000111.6K2203 R2211K2203-D2207 WeakPolarHBondContact O-CA 3.44Å; K2203-D2207 WeakPolarHBondContact O-CB 3.43Å; K2203-D2207 VanDerWaalsContact O-CG 3.23Å; K2203-D2207 PolarHBondContact O-N 2.71Å; D2207-R2211 VanDerWaalsContact CB-NH2 3.28Å; D2207-R2211 WeakPolarHBondContact O-CA 3.45Å; D2207-R2211 WeakPolarHBondContact O-CB 3.34Å; D2207-R2211 WeakPolarHBondContact O-CD 3.2Å; D2207-R2211 WeakPolarHBondContact O-CG 3.22Å; D2207-R2211 PolarHBondContact O-N 2.78Å; D2207-R2211 IonicContact OD2-CZ 3.75Å; D2207-R2211 IonicContact OD2-NE 2.62Å; D2207-R2211 IonicContact OD2-NH2 2.92Å; D2207-R2211 PolarHBondContact OD2-NH2 2.67Å
2208K71.9Confident68.3Low106 Ų106103 Ų10346%0.46150%0.495SS..Hα-helixtrans-67-41.1174.9-92.1167.3173.3150.20111.8E2204 M2205 K2206 K2212E2204-K2208 WeakPolarHBondContact O-CB 3.45Å; E2204-K2208 VanDerWaalsContact O-CG 3.24Å; E2204-K2208 WeakPolarHBondContact O-CG 3.39Å; E2204-K2208 PolarHBondContact O-N 2.77Å; E2204-K2208 WeakPolarHBondContact OE1-CE 3.25Å; E2204-K2208 IonicContact OE1-NZ 3.59Å; E2204-K2208 PolarHBondContact OE1-NZ 2.77Å; E2204-K2208 IonicContact OE2-NZ 3.72Å; E2204-K2208 PolarHBondContact OE2-NZ 3.36Å; M2205-K2208 WeakPolarHBondContact O-CB 3.26Å; M2205-K2208 PolarHBondContact O-N 2.77Å; M2205-K2208 VanDerWaalsContact O-N 3.15Å; K2206-K2208 PolarHBondContact O-N 3.28Å; K2208-K2212 VanDerWaalsContact O-CB 3.25Å; K2208-K2212 WeakPolarHBondContact O-CB 3.49Å; K2208-K2212 PolarHBondContact O-N 3.14Å
2209I68.5Low68Low100 Ų10098.2 Ų98.251%0.51349%0.489SS..Hα-helixtrans-67.1-48.7175.7-66.5165.1000110.1M2205 K2206 K2212 H2213M2205-I2209 WeakPolarHBondContact O-CG1 3.27Å; M2205-I2209 PolarHBondContact O-N 3.34Å; K2206-I2209 CarbonylContact O-C 3.53Å; K2206-I2209 PolarHBondContact O-N 2.71Å; K2206-I2209 VanDerWaalsContact O-N 3.09Å; I2209-K2212 WeakPolarHBondContact O-CB 3.49Å; I2209-K2212 PolarHBondContact O-N 2.78Å; I2209-K2212 VanDerWaalsContact O-N 3.14Å; I2209-H2213 PolarHBondContact O-N 2.65Å
2210D67.6Low67.6Low77 Ų7795.7 Ų95.741%0.41249%0.485SS..Hα-helixtrans-68.9-37.9-179.9-74-33.1000111.8K2206 K2212 A2214K2206-D2210 WeakPolarHBondContact CG-OD2 3.33Å; K2206-D2210 WeakPolarHBondContact O-CB 3.46Å; K2206-D2210 PolarHBondContact O-N 3.34Å; D2210-K2212 VanDerWaalsContact C-N 3.33Å; D2210-K2212 PolarHBondContact O-N 3.35Å; D2210-A2214 WeakPolarHBondContact O-CA 3.28Å; D2210-A2214 WeakPolarHBondContact O-CB 3.29Å; D2210-A2214 PolarHBondContact O-N 3.42Å
2211R66Low67.4Low131 Ų13196.6 Ų96.649%0.49449%0.485SS..Hα-helixtrans-65.4-33.5169.3-72.1169.6-148.71568.1111.5D2207 A2215D2207-R2211 VanDerWaalsContact CB-NH2 3.28Å; D2207-R2211 WeakPolarHBondContact O-CA 3.45Å; D2207-R2211 WeakPolarHBondContact O-CB 3.34Å; D2207-R2211 WeakPolarHBondContact O-CD 3.2Å; D2207-R2211 WeakPolarHBondContact O-CG 3.22Å; D2207-R2211 PolarHBondContact O-N 2.78Å; D2207-R2211 IonicContact OD2-CZ 3.75Å; D2207-R2211 IonicContact OD2-NE 2.62Å; D2207-R2211 IonicContact OD2-NH2 2.92Å; D2207-R2211 PolarHBondContact OD2-NH2 2.67Å; R2211-A2215 WeakPolarHBondContact O-CB 3.49Å; R2211-A2215 PolarHBondContact O-N 2.85Å
2212K65.1Low66.8Low133 Ų13395.5 Ų95.558%0.57848%0.48SS*.Hα-helixtrans-70.6-49.2176.3-169.6-177.3178.6-165.60111.1K2208 I2209 D2210 A2214 A2215 E2216K2208-K2212 VanDerWaalsContact O-CB 3.25Å; K2208-K2212 WeakPolarHBondContact O-CB 3.49Å; K2208-K2212 PolarHBondContact O-N 3.14Å; I2209-K2212 WeakPolarHBondContact O-CB 3.49Å; I2209-K2212 PolarHBondContact O-N 2.78Å; I2209-K2212 VanDerWaalsContact O-N 3.14Å; D2210-K2212 VanDerWaalsContact C-N 3.33Å; D2210-K2212 PolarHBondContact O-N 3.35Å; K2212-A2214 VanDerWaalsContact C-N 3.34Å; K2212-A2214 PolarHBondContact O-N 3.18Å; K2212-A2215 CarbonylContact O-C 3.53Å; K2212-A2215 PolarHBondContact O-N 3.27Å; K2212-A2215 VanDerWaalsContact O-N 3.16Å; K2212-E2216 VanDerWaalsContact CE-OE1 3.25Å; K2212-E2216 WeakPolarHBondContact CE-OE1 3.19Å; K2212-E2216 WeakPolarHBondContact O-CB 3.23Å; K2212-E2216 WeakPolarHBondContact O-CG 3.47Å; K2212-E2216 PolarHBondContact O-N 3.35Å
2213H68.8Low66.5Low83 Ų8397.7 Ų97.738%0.38448%0.484SS..Hα-helixtrans-68-32.1175.3-69.8-38.5000113I2209 E2216 R2217I2209-H2213 PolarHBondContact O-N 2.65Å; H2213-E2216 IonicContact CE1-OE2 3.16Å; H2213-E2216 IonicContact CG-OE2 3.78Å; H2213-E2216 IonicContact ND1-OE2 3.85Å; H2213-E2216 PolarHBondContact ND1-OE2 3.41Å; H2213-R2217 VanDerWaalsContact O-CB 3.31Å; H2213-R2217 WeakPolarHBondContact O-CB 3.22Å; H2213-R2217 VanDerWaalsContact O-CG 3.26Å; H2213-R2217 WeakPolarHBondContact O-CG 3.38Å; H2213-R2217 PolarHBondContact O-N 3.02Å
2214A62.5Low66.3Low49 Ų4997.8 Ų97.841%0.40549%0.486SS..Hα-helixtrans-69.8-35.817000000111.4D2210 K2212 K2218D2210-A2214 WeakPolarHBondContact O-CA 3.28Å; D2210-A2214 WeakPolarHBondContact O-CB 3.29Å; D2210-A2214 PolarHBondContact O-N 3.42Å; K2212-A2214 VanDerWaalsContact C-N 3.34Å; K2212-A2214 PolarHBondContact O-N 3.18Å; A2214-K2218 WeakPolarHBondContact O-CA 3.38Å; A2214-K2218 WeakPolarHBondContact O-CB 3.29Å; A2214-K2218 PolarHBondContact O-N 2.79Å
2215A62.5Low65.7Low58 Ų5899.1 Ų99.148%0.47949%0.494SS..Hα-helixtrans-70.3-36.3173.100000112.2R2211 K2212 A2219R2211-A2215 WeakPolarHBondContact O-CB 3.49Å; R2211-A2215 PolarHBondContact O-N 2.85Å; K2212-A2215 CarbonylContact O-C 3.53Å; K2212-A2215 PolarHBondContact O-N 3.27Å; K2212-A2215 VanDerWaalsContact O-N 3.16Å; A2215-A2219 WeakPolarHBondContact O-CB 3.48Å; A2215-A2219 PolarHBondContact O-N 3.23Å
2216E64.5Low65.3Low94 Ų9496.6 Ų96.644%0.43949%0.49SS..Hα-helixtrans-67.2-49.4174.1-73.2163.1173.200111K2212 H2213 A2219 A2220K2212-E2216 VanDerWaalsContact CE-OE1 3.25Å; K2212-E2216 WeakPolarHBondContact CE-OE1 3.19Å; K2212-E2216 WeakPolarHBondContact O-CB 3.23Å; K2212-E2216 WeakPolarHBondContact O-CG 3.47Å; K2212-E2216 PolarHBondContact O-N 3.35Å; H2213-E2216 IonicContact CE1-OE2 3.16Å; H2213-E2216 IonicContact CG-OE2 3.78Å; H2213-E2216 IonicContact ND1-OE2 3.85Å; H2213-E2216 PolarHBondContact ND1-OE2 3.41Å; E2216-A2219 PolarHBondContact O-N 3.17Å; E2216-A2220 PolarHBondContact O-N 2.96Å
2217R65.9Low64.7Low174 Ų17496 Ų9666%0.65749%0.492SS*.Hα-helixtrans-60.4-45.9172.3-73.1176.8-172.8128.11.6111.3H2213 A2220 T2221H2213-R2217 VanDerWaalsContact O-CB 3.31Å; H2213-R2217 WeakPolarHBondContact O-CB 3.22Å; H2213-R2217 VanDerWaalsContact O-CG 3.26Å; H2213-R2217 WeakPolarHBondContact O-CG 3.38Å; H2213-R2217 PolarHBondContact O-N 3.02Å; R2217-A2220 WeakPolarHBondContact O-CB 3.39Å; R2217-A2220 PolarHBondContact O-N 3.16Å; R2217-T2221 PolarHBondContact O-N 3.01Å; R2217-T2221 PolarHBondContact O-OG1 3.46Å
2218K61.2Low64.5Low128 Ų12897.4 Ų97.456%0.55750%0.502SS*.Hα-helixtrans-68.2-35.1-179-172.9173.7179.8-176.60111.9A2214 A2220 T2221 D2222A2214-K2218 WeakPolarHBondContact O-CA 3.38Å; A2214-K2218 WeakPolarHBondContact O-CB 3.29Å; A2214-K2218 PolarHBondContact O-N 2.79Å; K2218-A2220 VanDerWaalsContact C-N 3.34Å; K2218-T2221 WeakPolarHBondContact CA-OG1 3.26Å; K2218-T2221 PolarHBondContact O-N 3.47Å; K2218-T2221 PolarHBondContact O-OG1 3.03Å; K2218-D2222 VanDerWaalsContact CE-OD2 3.28Å; K2218-D2222 WeakPolarHBondContact CE-OD2 3.47Å; K2218-D2222 WeakPolarHBondContact CG-OD2 3.29Å; K2218-D2222 WeakPolarHBondContact O-CA 3.41Å; K2218-D2222 WeakPolarHBondContact O-CB 3.49Å; K2218-D2222 PolarHBondContact O-N 3.44Å
2219A65.5Low63.7Low58 Ų5898 Ų9848%0.47951%0.505SS..Hα-helixtrans-68.6-33172.600000112.2A2215 E2216 K2223A2215-A2219 WeakPolarHBondContact O-CB 3.48Å; A2215-A2219 PolarHBondContact O-N 3.23Å; E2216-A2219 PolarHBondContact O-N 3.17Å; A2219-K2223 WeakPolarHBondContact O-CB 3.27Å; A2219-K2223 PolarHBondContact O-N 3Å
2220A65.1Low63.8Low57 Ų5798.2 Ų98.247%0.47150%0.504SS..Hα-helixtrans-69.4-48.2172.300000111.8E2216 R2217 K2218 K2223 Q2224E2216-A2220 PolarHBondContact O-N 2.96Å; R2217-A2220 WeakPolarHBondContact O-CB 3.39Å; R2217-A2220 PolarHBondContact O-N 3.16Å; K2218-A2220 VanDerWaalsContact C-N 3.34Å; A2220-K2223 WeakPolarHBondContact O-CB 3.44Å; A2220-K2223 PolarHBondContact O-N 3.12Å; A2220-Q2224 PolarHBondContact O-N 3.23Å; A2220-Q2224 VanDerWaalsContact O-N 3.15Å
2221T64.3Low63.8Low71 Ų71100.2 Ų100.244%0.43651%0.512SS..Hα-helixtrans-67.8-36.4175.759.10000111.9R2217 K2218 K2223 Q2224 M2225R2217-T2221 PolarHBondContact O-N 3.01Å; R2217-T2221 PolarHBondContact O-OG1 3.46Å; K2218-T2221 WeakPolarHBondContact CA-OG1 3.26Å; K2218-T2221 PolarHBondContact O-N 3.47Å; K2218-T2221 PolarHBondContact O-OG1 3.03Å; T2221-K2223 VanDerWaalsContact C-N 3.28Å; T2221-K2223 PolarHBondContact O-N 3.39Å; T2221-Q2224 CarbonylContact O-C 3.6Å; T2221-Q2224 PolarHBondContact O-N 3.38Å; T2221-M2225 WeakPolarHBondContact O-CA 3.49Å; T2221-M2225 WeakPolarHBondContact O-CB 3.32Å; T2221-M2225 PolarHBondContact O-N 3.42Å
2222D57.8Low63.8Low76 Ų7699 Ų9941%0.40651%0.512SS..Hα-helixtrans-70.3-25.4177.1-74.2-10.5000110.9K2218 A2226K2218-D2222 VanDerWaalsContact CE-OD2 3.28Å; K2218-D2222 WeakPolarHBondContact CE-OD2 3.47Å; K2218-D2222 WeakPolarHBondContact CG-OD2 3.29Å; K2218-D2222 WeakPolarHBondContact O-CA 3.41Å; K2218-D2222 WeakPolarHBondContact O-CB 3.49Å; K2218-D2222 PolarHBondContact O-N 3.44Å; D2222-A2226 WeakPolarHBondContact O-CA 3.44Å; D2222-A2226 WeakPolarHBondContact O-CB 3.47Å; D2222-A2226 PolarHBondContact O-N 3.31Å
2223K68.2Low63.6Low157 Ų15796.4 Ų96.468%0.68350%0.504SS*.Hα-helixtrans-68.1-47.5166.1-98.9-174.9172.3-178.20112.3A2219 A2220 T2221 A2226 I2227A2219-K2223 WeakPolarHBondContact O-CB 3.27Å; A2219-K2223 PolarHBondContact O-N 3Å; A2220-K2223 WeakPolarHBondContact O-CB 3.44Å; A2220-K2223 PolarHBondContact O-N 3.12Å; T2221-K2223 VanDerWaalsContact C-N 3.28Å; T2221-K2223 PolarHBondContact O-N 3.39Å; K2223-A2226 PolarHBondContact O-N 3.26Å; K2223-I2227 WeakPolarHBondContact O-CG1 3.43Å; K2223-I2227 PolarHBondContact O-N 3.25Å; K2223-I2227 VanDerWaalsContact O-N 3.08Å
2224Q67.3Low63.6Low134 Ų13496.2 Ų96.263%0.62651%0.506SS*.Hα-helixtrans-64-43.9175.2-71.7-178.5-58.200111.5A2220 T2221 A2226 I2227 V2228A2220-Q2224 PolarHBondContact O-N 3.23Å; A2220-Q2224 VanDerWaalsContact O-N 3.15Å; T2221-Q2224 CarbonylContact O-C 3.6Å; T2221-Q2224 PolarHBondContact O-N 3.38Å; Q2224-A2226 VanDerWaalsContact C-N 3.33Å; Q2224-A2226 PolarHBondContact O-N 3.04Å; Q2224-I2227 PolarHBondContact O-N 3.31Å; Q2224-V2228 WeakPolarHBondContact O-CG2 3.27Å; Q2224-V2228 PolarHBondContact O-N 3.37Å
2225M57.4Low64.1Low99 Ų9998.9 Ų98.949%0.48851%0.51SS..Hα-helixtrans-69.3-27.9178.6-167.97510600111.5T2221 K2229T2221-M2225 WeakPolarHBondContact O-CA 3.49Å; T2221-M2225 WeakPolarHBondContact O-CB 3.32Å; T2221-M2225 PolarHBondContact O-N 3.42Å; M2225-K2229 HydrophobicContact CG-CD 4.05Å; M2225-K2229 HydrophobicContact CG-CG 4.32Å; M2225-K2229 WeakPolarHBondContact O-CA 3.26Å; M2225-K2229 WeakPolarHBondContact O-CB 3.31Å; M2225-K2229 WeakPolarHBondContact O-CD 3.46Å; M2225-K2229 WeakPolarHBondContact O-CG 3.49Å; M2225-K2229 PolarHBondContact O-N 2.94Å
2226A61.7Low64.2Low56 Ų5699.3 Ų99.346%0.46350%0.503SS..Hα-helixtrans-72.7-37.6169.900000111.8D2222 K2223 Q2224 Q2230D2222-A2226 WeakPolarHBondContact O-CA 3.44Å; D2222-A2226 WeakPolarHBondContact O-CB 3.47Å; D2222-A2226 PolarHBondContact O-N 3.31Å; K2223-A2226 PolarHBondContact O-N 3.26Å; Q2224-A2226 VanDerWaalsContact C-N 3.33Å; Q2224-A2226 PolarHBondContact O-N 3.04Å; A2226-Q2230 VanDerWaalsContact O-CB 3.32Å; A2226-Q2230 WeakPolarHBondContact O-CB 3.05Å; A2226-Q2230 PolarHBondContact O-N 2.61Å
2227I62Low64.4Low123 Ų12399.2 Ų99.263%0.63151%0.505SS*.Hα-helixtrans-65.9-47.8173-66.9163.8000110.2K2223 Q2224 Q2230 M2231K2223-I2227 WeakPolarHBondContact O-CG1 3.43Å; K2223-I2227 PolarHBondContact O-N 3.25Å; K2223-I2227 VanDerWaalsContact O-N 3.08Å; Q2224-I2227 PolarHBondContact O-N 3.31Å; I2227-Q2230 PolarHBondContact O-N 2.85Å; I2227-M2231 PolarHBondContact O-N 2.94Å
2228V61.3Low64.7Low81 Ų8194.7 Ų94.749%0.49150%0.497SS..Hα-helixtrans-64.5-41176.2172.40000111.4Q2224 M2231 H2232Q2224-V2228 WeakPolarHBondContact O-CG2 3.27Å; Q2224-V2228 PolarHBondContact O-N 3.37Å; V2228-M2231 PolarHBondContact O-N 3.43Å; V2228-H2232 VanDerWaalsContact O-CB 3.23Å; V2228-H2232 WeakPolarHBondContact O-CB 3.48Å; V2228-H2232 PolarHBondContact O-N 3.34Å
2229K54.5Low65.3Low119 Ų11993.8 Ų93.852%0.51749%0.494SS..Hα-helixtrans-68.2-35.9174.3-79.1172.6177.5178.50112.3M2225 H2232 I2233M2225-K2229 HydrophobicContact CG-CD 4.05Å; M2225-K2229 HydrophobicContact CG-CG 4.32Å; M2225-K2229 WeakPolarHBondContact O-CA 3.26Å; M2225-K2229 WeakPolarHBondContact O-CB 3.31Å; M2225-K2229 WeakPolarHBondContact O-CD 3.46Å; M2225-K2229 WeakPolarHBondContact O-CG 3.49Å; M2225-K2229 PolarHBondContact O-N 2.94Å; K2229-H2232 CarbonylContact O-C 3.43Å; K2229-H2232 PolarHBondContact O-N 3.11Å; K2229-I2233 HydrophobicContact CB-CD1 4.39Å; K2229-I2233 WeakPolarHBondContact O-CA 3.28Å; K2229-I2233 WeakPolarHBondContact O-CB 3.2Å; K2229-I2233 WeakPolarHBondContact O-CD1 3.39Å; K2229-I2233 WeakPolarHBondContact O-CG1 3.4Å; K2229-I2233 PolarHBondContact O-N 2.92Å
2230Q71.1Confident65.4Low105 Ų10596 Ų9649%0.49150%0.497SS..Hα-helixtrans-63.2-48.4173.3-170.262.753.700109.3A2226 I2227 H2232 I2233 D2234A2226-Q2230 VanDerWaalsContact O-CB 3.32Å; A2226-Q2230 WeakPolarHBondContact O-CB 3.05Å; A2226-Q2230 PolarHBondContact O-N 2.61Å; I2227-Q2230 PolarHBondContact O-N 2.85Å; Q2230-H2232 VanDerWaalsContact C-N 3.31Å; Q2230-H2232 PolarHBondContact O-N 2.83Å; Q2230-I2233 CarbonylContact O-C 3.58Å; Q2230-I2233 PolarHBondContact O-N 3.34Å; Q2230-I2233 VanDerWaalsContact O-N 3.13Å; Q2230-D2234 PolarHBondContact NE2-OD1 2.87Å; Q2230-D2234 WeakPolarHBondContact O-CB 3.29Å; Q2230-D2234 PolarHBondContact O-N 3.49Å
2231M67.2Low65.7Low118 Ų11896.8 Ų96.858%0.58150%0.496SS*.Hα-helixtrans-60.1-38.9177.2-152.8-179.982.100112.8I2227 V2228 Q2235I2227-M2231 PolarHBondContact O-N 2.94Å; V2228-M2231 PolarHBondContact O-N 3.43Å; M2231-Q2235 WeakPolarHBondContact O-CB 3.44Å; M2231-Q2235 WeakPolarHBondContact O-CG 3.47Å; M2231-Q2235 PolarHBondContact O-N 3.27Å
2232H65.6Low66.2Low106 Ų10699.6 Ų99.649%0.49151%0.505SS..Hα-helixtrans-78.3-25.5177-166.8-52.1000112.8V2228 K2229 Q2230 L2236V2228-H2232 VanDerWaalsContact O-CB 3.23Å; V2228-H2232 WeakPolarHBondContact O-CB 3.48Å; V2228-H2232 PolarHBondContact O-N 3.34Å; K2229-H2232 CarbonylContact O-C 3.43Å; K2229-H2232 PolarHBondContact O-N 3.11Å; Q2230-H2232 VanDerWaalsContact C-N 3.31Å; Q2230-H2232 PolarHBondContact O-N 2.83Å; H2232-L2236 WeakPolarHBondContact ND1-CD1 3.4Å; H2232-L2236 WeakPolarHBondContact O-CB 3.32Å; H2232-L2236 VanDerWaalsContact O-CG 3.23Å; H2232-L2236 WeakPolarHBondContact O-CG 3.44Å; H2232-L2236 PolarHBondContact O-N 3.05Å
2233I60.8Low67Low79 Ų79101.8 Ų101.841%0.40551%0.51SS..Hα-helixtrans-75.5-39.8171-76164.2000109.3K2229 Q2230 L2236 I2237K2229-I2233 HydrophobicContact CB-CD1 4.39Å; K2229-I2233 WeakPolarHBondContact O-CA 3.28Å; K2229-I2233 WeakPolarHBondContact O-CB 3.2Å; K2229-I2233 WeakPolarHBondContact O-CD1 3.39Å; K2229-I2233 WeakPolarHBondContact O-CG1 3.4Å; K2229-I2233 PolarHBondContact O-N 2.92Å; Q2230-I2233 CarbonylContact O-C 3.58Å; Q2230-I2233 PolarHBondContact O-N 3.34Å; Q2230-I2233 VanDerWaalsContact O-N 3.13Å; I2233-L2236 CarbonylContact O-C 3.53Å; I2233-L2236 PolarHBondContact O-N 2.98Å; I2233-I2237 HydrophobicContact CG2-CD1 3.71Å; I2233-I2237 HydrophobicContact CG2-CG1 4.35Å; I2233-I2237 VanDerWaalsContact O-CB 3.31Å; I2233-I2237 WeakPolarHBondContact O-CB 3.44Å; I2233-I2237 WeakPolarHBondContact O-CG1 3.38Å; I2233-I2237 PolarHBondContact O-N 3.31Å
2234D70.4Confident67.1Low79 Ų7998.6 Ų98.642%0.42250%0.501SS..Hα-helixtrans-64.7-43174.3-60.9-21.4000110Q2230 I2237 T2238Q2230-D2234 PolarHBondContact NE2-OD1 2.87Å; Q2230-D2234 WeakPolarHBondContact O-CB 3.29Å; Q2230-D2234 PolarHBondContact O-N 3.49Å; D2234-I2237 PolarHBondContact O-N 2.93Å; D2234-T2238 PolarHBondContact O-N 3.39Å; D2234-T2238 PolarHBondContact O-OG1 3.44Å
2235Q71.2Confident67.4Low105 Ų10597.4 Ų97.449%0.49150%0.499SS..Hα-helixtrans-61.6-47.7170.1-77.3-178.4-5600112.6M2231 I2237 T2238 E2239M2231-Q2235 WeakPolarHBondContact O-CB 3.44Å; M2231-Q2235 WeakPolarHBondContact O-CG 3.47Å; M2231-Q2235 PolarHBondContact O-N 3.27Å; Q2235-I2237 PolarHBondContact O-N 3.3Å; Q2235-T2238 WeakPolarHBondContact CA-OG1 3.4Å; Q2235-T2238 PolarHBondContact O-N 3.42Å; Q2235-T2238 VanDerWaalsContact O-N 3.17Å; Q2235-T2238 PolarHBondContact O-OG1 2.83Å; Q2235-E2239 PolarHBondContact O-N 3.46Å
2236L64.4Low68.2Low66 Ų6697.5 Ų97.535%0.34650%0.498SS..Hα-helixtrans-64.1-28.6175.2-81.8170.9000112.3H2232 I2233 I2240H2232-L2236 WeakPolarHBondContact ND1-CD1 3.4Å; H2232-L2236 WeakPolarHBondContact O-CB 3.32Å; H2232-L2236 VanDerWaalsContact O-CG 3.23Å; H2232-L2236 WeakPolarHBondContact O-CG 3.44Å; H2232-L2236 PolarHBondContact O-N 3.05Å; I2233-L2236 CarbonylContact O-C 3.53Å; I2233-L2236 PolarHBondContact O-N 2.98Å; L2236-I2240 WeakPolarHBondContact O-CA 3.33Å; L2236-I2240 WeakPolarHBondContact O-CB 3.32Å; L2236-I2240 WeakPolarHBondContact O-CD1 3.48Å; L2236-I2240 WeakPolarHBondContact O-CG1 3.45Å; L2236-I2240 PolarHBondContact O-N 3.1Å
2237I68.7Low68.3Low93 Ų9399.3 Ų99.348%0.47750%0.5SS..Hα-helixtrans-71.3-42.3173.8-75.9164.9000109.4I2233 D2234 Q2235 I2240 T2241I2233-I2237 HydrophobicContact CG2-CD1 3.71Å; I2233-I2237 HydrophobicContact CG2-CG1 4.35Å; I2233-I2237 VanDerWaalsContact O-CB 3.31Å; I2233-I2237 WeakPolarHBondContact O-CB 3.44Å; I2233-I2237 WeakPolarHBondContact O-CG1 3.38Å; I2233-I2237 PolarHBondContact O-N 3.31Å; D2234-I2237 PolarHBondContact O-N 2.93Å; Q2235-I2237 PolarHBondContact O-N 3.3Å; I2237-I2240 PolarHBondContact O-N 2.94Å; I2237-T2241 WeakPolarHBondContact O-CG2 3.36Å; I2237-T2241 PolarHBondContact O-N 3.24Å; I2237-T2241 PolarHBondContact O-OG1 3.44Å; I2237-T2241 VanDerWaalsContact O-OG1 3.12Å
2238T73.2Confident68.7Low79 Ų7997.5 Ų97.549%0.48549%0.491SS..Hα-helixtrans-61.4-49.8171.241.30000111.8D2234 Q2235 I2240 T2241 E2242D2234-T2238 PolarHBondContact O-N 3.39Å; D2234-T2238 PolarHBondContact O-OG1 3.44Å; Q2235-T2238 WeakPolarHBondContact CA-OG1 3.4Å; Q2235-T2238 PolarHBondContact O-N 3.42Å; Q2235-T2238 VanDerWaalsContact O-N 3.17Å; Q2235-T2238 PolarHBondContact O-OG1 2.83Å; T2238-I2240 VanDerWaalsContact C-N 3.34Å; T2238-I2240 PolarHBondContact O-N 3.01Å; T2238-T2241 WeakPolarHBondContact CA-OG1 3.37Å; T2238-T2241 PolarHBondContact O-N 3.22Å; T2238-T2241 VanDerWaalsContact O-N 3.1Å; T2238-T2241 PolarHBondContact O-OG1 2.91Å; T2238-E2242 WeakPolarHBondContact O-CG 3.2Å; T2238-E2242 PolarHBondContact O-N 2.76Å
2239E73.1Confident69.2Low108 Ų10899.8 Ų99.851%0.50550%0.496SS..Hα-helixtrans-60.4-39.9176.3-72.5-176.4179.500112.1Q2235 E2242 K2243Q2235-E2239 PolarHBondContact O-N 3.46Å; E2239-E2242 PolarHBondContact O-N 2.72Å; E2239-K2243 VanDerWaalsContact O-CB 3.24Å; E2239-K2243 WeakPolarHBondContact O-CB 3.45Å; E2239-K2243 WeakPolarHBondContact O-CG 3.21Å; E2239-K2243 PolarHBondContact O-N 3.41Å
2240I67.8Low69.6Low105 Ų10599.2 Ų99.254%0.53850%0.497SS..Hα-helixtrans-67.2-38.4175.4-74.2165000110.4L2236 I2237 T2238 K2243 D2244L2236-I2240 WeakPolarHBondContact O-CA 3.33Å; L2236-I2240 WeakPolarHBondContact O-CB 3.32Å; L2236-I2240 WeakPolarHBondContact O-CD1 3.48Å; L2236-I2240 WeakPolarHBondContact O-CG1 3.45Å; L2236-I2240 PolarHBondContact O-N 3.1Å; I2237-I2240 PolarHBondContact O-N 2.94Å; T2238-I2240 VanDerWaalsContact C-N 3.34Å; T2238-I2240 PolarHBondContact O-N 3.01Å; I2240-K2243 PolarHBondContact O-N 3.24Å; I2240-D2244 VanDerWaalsContact O-CB 3.23Å; I2240-D2244 WeakPolarHBondContact O-CB 3.35Å; I2240-D2244 PolarHBondContact O-N 2.91Å
2241T72.6Confident69.4Low74 Ų7498.1 Ų98.145%0.45449%0.494SS..Hα-helixtrans-70.3-34.5174.655.70000112.9I2237 T2238 N2245I2237-T2241 WeakPolarHBondContact O-CG2 3.36Å; I2237-T2241 PolarHBondContact O-N 3.24Å; I2237-T2241 PolarHBondContact O-OG1 3.44Å; I2237-T2241 VanDerWaalsContact O-OG1 3.12Å; T2238-T2241 WeakPolarHBondContact CA-OG1 3.37Å; T2238-T2241 PolarHBondContact O-N 3.22Å; T2238-T2241 VanDerWaalsContact O-N 3.1Å; T2238-T2241 PolarHBondContact O-OG1 2.91Å; T2241-N2245 WeakPolarHBondContact O-CB 3.13Å; T2241-N2245 PolarHBondContact O-N 3.49Å; T2241-N2245 PolarHBondContact O-ND2 3.18Å
2242E75Confident69.6Low130 Ų13096.4 Ų96.461%0.60749%0.491SS*.Hα-helixtrans-66.9-44171-71.8-177.1162.700110.9T2238 E2239 N2245 E2246T2238-E2242 WeakPolarHBondContact O-CG 3.2Å; T2238-E2242 PolarHBondContact O-N 2.76Å; E2239-E2242 PolarHBondContact O-N 2.72Å; E2242-N2245 WeakPolarHBondContact O-CB 3.39Å; E2242-N2245 PolarHBondContact O-N 2.93Å; E2242-E2246 PolarHBondContact O-N 2.67Å
2243K73Confident70Confident121 Ų12195.9 Ų95.953%0.52649%0.491SS..Hα-helixtrans-63.7-40.4174.1-72.4-73.4156.1-147.60112.1E2239 I2240 N2245 E2246 L2247E2239-K2243 VanDerWaalsContact O-CB 3.24Å; E2239-K2243 WeakPolarHBondContact O-CB 3.45Å; E2239-K2243 WeakPolarHBondContact O-CG 3.21Å; E2239-K2243 PolarHBondContact O-N 3.41Å; I2240-K2243 PolarHBondContact O-N 3.24Å; K2243-N2245 VanDerWaalsContact C-N 3.32Å; K2243-E2246 WeakPolarHBondContact CD-OE2 3.4Å; K2243-E2246 WeakPolarHBondContact CE-OE2 3.21Å; K2243-E2246 IonicContact NZ-OE1 3.81Å; K2243-E2246 IonicContact NZ-OE2 2.75Å; K2243-E2246 PolarHBondContact NZ-OE2 2.81Å; K2243-E2246 CarbonylContact O-C 3.59Å; K2243-E2246 PolarHBondContact O-N 2.99Å; K2243-L2247 WeakPolarHBondContact O-CB 3.45Å; K2243-L2247 PolarHBondContact O-N 3.41Å
2244D70.3Confident70.2Confident91 Ų9196 Ų9649%0.48749%0.491SS..Hα-helixtrans-73.9-27.3178.7-148.837.6000110.7I2240 N2248I2240-D2244 VanDerWaalsContact O-CB 3.23Å; I2240-D2244 WeakPolarHBondContact O-CB 3.35Å; I2240-D2244 PolarHBondContact O-N 2.91Å; D2244-N2248 WeakPolarHBondContact O-CB 3.5Å; D2244-N2248 PolarHBondContact O-N 2.97Å; D2244-N2248 PolarHBondContact O-ND2 3.42Å
2245N74.3Confident70.2Confident109 Ų10994.3 Ų94.358%0.58349%0.486SS*.Hα-helixtrans-67.2-49.5165.8-73.5-34.3000111.5T2241 E2242 K2243 L2247 N2248 E2249T2241-N2245 WeakPolarHBondContact O-CB 3.13Å; T2241-N2245 PolarHBondContact O-N 3.49Å; T2241-N2245 PolarHBondContact O-ND2 3.18Å; E2242-N2245 WeakPolarHBondContact O-CB 3.39Å; E2242-N2245 PolarHBondContact O-N 2.93Å; K2243-N2245 VanDerWaalsContact C-N 3.32Å; N2245-L2247 VanDerWaalsContact C-N 3.26Å; N2245-L2247 PolarHBondContact O-N 3.37Å; N2245-N2248 PolarHBondContact O-N 2.69Å; N2245-E2249 WeakPolarHBondContact O-CB 3.4Å; N2245-E2249 PolarHBondContact O-N 3.35Å
2246E74.4Confident70.3Confident101 Ų10193.8 Ų93.847%0.47249%0.49SS..Hα-helixtrans-57.7-37.4172.8-75.9-175.615800112.1E2242 K2243 E2249 M2250E2242-E2246 PolarHBondContact O-N 2.67Å; K2243-E2246 WeakPolarHBondContact CD-OE2 3.4Å; K2243-E2246 WeakPolarHBondContact CE-OE2 3.21Å; K2243-E2246 IonicContact NZ-OE1 3.81Å; K2243-E2246 IonicContact NZ-OE2 2.75Å; K2243-E2246 PolarHBondContact NZ-OE2 2.81Å; K2243-E2246 CarbonylContact O-C 3.59Å; K2243-E2246 PolarHBondContact O-N 2.99Å; E2246-E2249 PolarHBondContact O-N 3.28Å; E2246-M2250 VanDerWaalsContact O-CB 3.24Å; E2246-M2250 WeakPolarHBondContact O-CB 3.5Å; E2246-M2250 WeakPolarHBondContact O-CG 3.48Å; E2246-M2250 PolarHBondContact O-N 3.4Å
2247L63.8Low70.6Confident94 Ų9492.2 Ų92.249%0.49248%0.484SS..Hα-helixtrans-80.8-27.9-177.7-149.5167.3000110.9K2243 N2245 N2251K2243-L2247 WeakPolarHBondContact O-CB 3.45Å; K2243-L2247 PolarHBondContact O-N 3.41Å; N2245-L2247 VanDerWaalsContact C-N 3.26Å; N2245-L2247 PolarHBondContact O-N 3.37Å; L2247-N2251 WeakPolarHBondContact CD2-ND2 3.1Å; L2247-N2251 WeakPolarHBondContact O-CA 3.47Å; L2247-N2251 WeakPolarHBondContact O-CB 3.48Å; L2247-N2251 VanDerWaalsContact O-CG 3.31Å; L2247-N2251 PolarHBondContact O-N 2.7Å; L2247-N2251 PolarHBondContact O-ND2 3.2Å
2248N70.2Confident70.3Confident84 Ų8490.2 Ų90.245%0.44948%0.482SS..Hα-helixtrans-73.2-35.7165.8-81.9-64000112.3D2244 N2245 N2251 T2252D2244-N2248 WeakPolarHBondContact O-CB 3.5Å; D2244-N2248 PolarHBondContact O-N 2.97Å; D2244-N2248 PolarHBondContact O-ND2 3.42Å; N2245-N2248 PolarHBondContact O-N 2.69Å; N2248-N2251 PolarHBondContact O-N 2.69Å; N2248-T2252 WeakPolarHBondContact O-CB 3.03Å; N2248-T2252 WeakPolarHBondContact O-CG2 3.34Å; N2248-T2252 PolarHBondContact O-N 2.97Å; N2248-T2252 PolarHBondContact O-OG1 2.94Å
2249E71.8Confident70.4Confident130 Ų13092.8 Ų92.861%0.60749%0.486SS*.Hα-helixtrans-68.2-45172.1-164.4162.9-134.300110.5N2245 E2246 N2251 T2252 I2253N2245-E2249 WeakPolarHBondContact O-CB 3.4Å; N2245-E2249 PolarHBondContact O-N 3.35Å; E2246-E2249 PolarHBondContact O-N 3.28Å; E2249-N2251 PolarHBondContact O-N 3.42Å; E2249-T2252 WeakPolarHBondContact CA-OG1 3.44Å; E2249-T2252 PolarHBondContact O-N 2.75Å; E2249-T2252 PolarHBondContact O-OG1 2.75Å; E2249-I2253 HydrophobicContact CG-CD1 4.16Å; E2249-I2253 WeakPolarHBondContact O-CB 3.3Å; E2249-I2253 VanDerWaalsContact O-CG1 3.23Å; E2249-I2253 WeakPolarHBondContact O-CG1 3.47Å; E2249-I2253 PolarHBondContact O-N 3.31Å
2250M63.3Low70.4Confident107 Ų10790.2 Ų90.253%0.52748%0.48SS..Hα-helixtrans-65.4-32.1171.2-78.9-71.7-77.100113E2246 L2254E2246-M2250 VanDerWaalsContact O-CB 3.24Å; E2246-M2250 WeakPolarHBondContact O-CB 3.5Å; E2246-M2250 WeakPolarHBondContact O-CG 3.48Å; E2246-M2250 PolarHBondContact O-N 3.4Å; M2250-L2254 WeakPolarHBondContact O-CA 3.49Å; M2250-L2254 WeakPolarHBondContact O-CB 3.44Å; M2250-L2254 WeakPolarHBondContact O-CG 3.23Å; M2250-L2254 PolarHBondContact O-N 3.3Å
2251N66.4Low70.5Confident81 Ų8192.4 Ų92.443%0.43348%0.481SS..Hα-helixtrans-73.5-34.9172.4-90.8-40.6000112.2L2247 N2248 E2249 S2255L2247-N2251 WeakPolarHBondContact CD2-ND2 3.1Å; L2247-N2251 WeakPolarHBondContact O-CA 3.47Å; L2247-N2251 WeakPolarHBondContact O-CB 3.48Å; L2247-N2251 VanDerWaalsContact O-CG 3.31Å; L2247-N2251 PolarHBondContact O-N 2.7Å; L2247-N2251 PolarHBondContact O-ND2 3.2Å; N2248-N2251 PolarHBondContact O-N 2.69Å; E2249-N2251 PolarHBondContact O-N 3.42Å; N2251-S2255 WeakPolarHBondContact O-CB 3.34Å; N2251-S2255 PolarHBondContact O-N 2.97Å
2252T71.2Confident70.6Confident83 Ų8395.5 Ų95.551%0.50949%0.489SS..Hα-helixtrans-69.5-45.3173.450.40000110.3N2248 E2249 L2254 S2255 V2256N2248-T2252 WeakPolarHBondContact O-CB 3.03Å; N2248-T2252 WeakPolarHBondContact O-CG2 3.34Å; N2248-T2252 PolarHBondContact O-N 2.97Å; N2248-T2252 PolarHBondContact O-OG1 2.94Å; E2249-T2252 WeakPolarHBondContact CA-OG1 3.44Å; E2249-T2252 PolarHBondContact O-N 2.75Å; E2249-T2252 PolarHBondContact O-OG1 2.75Å; T2252-L2254 PolarHBondContact O-N 3.42Å; T2252-S2255 CarbonylContact O-C 3.55Å; T2252-S2255 PolarHBondContact O-N 3.05Å; T2252-S2255 PolarHBondContact O-OG 3.41Å; T2252-V2256 WeakPolarHBondContact O-CB 3.25Å; T2252-V2256 WeakPolarHBondContact O-CG2 3.26Å; T2252-V2256 PolarHBondContact O-N 3.27Å
2253I73.6Confident70.6Confident95 Ų9594.8 Ų94.849%0.48749%0.485SS..Hα-helixtrans-57.7-46.4170.6-67.9165.5000111.2E2249 V2256 S2257E2249-I2253 HydrophobicContact CG-CD1 4.16Å; E2249-I2253 WeakPolarHBondContact O-CB 3.3Å; E2249-I2253 VanDerWaalsContact O-CG1 3.23Å; E2249-I2253 WeakPolarHBondContact O-CG1 3.47Å; E2249-I2253 PolarHBondContact O-N 3.31Å; I2253-V2256 CarbonylContact O-C 3.57Å; I2253-V2256 PolarHBondContact O-N 3.04Å; I2253-S2257 WeakPolarHBondContact O-CB 3.08Å; I2253-S2257 PolarHBondContact O-N 2.92Å
2254L66.5Low70.8Confident80 Ų8094.4 Ų94.442%0.41949%0.485SS..Hα-helixtrans-65-40.3176.4-81.6167.8000111.2M2250 T2252 V2256 S2257 A2258M2250-L2254 WeakPolarHBondContact O-CA 3.49Å; M2250-L2254 WeakPolarHBondContact O-CB 3.44Å; M2250-L2254 WeakPolarHBondContact O-CG 3.23Å; M2250-L2254 PolarHBondContact O-N 3.3Å; T2252-L2254 PolarHBondContact O-N 3.42Å; L2254-V2256 VanDerWaalsContact C-N 3.3Å; L2254-V2256 PolarHBondContact O-N 3.17Å; L2254-S2257 WeakPolarHBondContact CA-OG 3.32Å; L2254-S2257 CarbonylContact O-C 3.59Å; L2254-S2257 PolarHBondContact O-N 3.37Å; L2254-S2257 PolarHBondContact O-OG 3.48Å; L2254-A2258 WeakPolarHBondContact O-CB 3.44Å; L2254-A2258 PolarHBondContact O-N 3.13Å
2255S68.7Low70.8Confident45 Ų4592 Ų9232%0.31548%0.478SS..Hα-helixtrans-65-33.917587.70000111.9N2251 T2252 K2259N2251-S2255 WeakPolarHBondContact O-CB 3.34Å; N2251-S2255 PolarHBondContact O-N 2.97Å; T2252-S2255 CarbonylContact O-C 3.55Å; T2252-S2255 PolarHBondContact O-N 3.05Å; T2252-S2255 PolarHBondContact O-OG 3.41Å; S2255-K2259 WeakPolarHBondContact O-CB 3.32Å; S2255-K2259 WeakPolarHBondContact O-CD 3.33Å; S2255-K2259 WeakPolarHBondContact O-CG 3.14Å; S2255-K2259 PolarHBondContact O-N 2.97Å
2256V74.3Confident70.9Confident93 Ų9389.3 Ų89.356%0.56446%0.464SS*.Hα-helixtrans-71.9-41.3172.6169.40000110.1T2252 I2253 L2254 A2258 K2259 S2260T2252-V2256 WeakPolarHBondContact O-CB 3.25Å; T2252-V2256 WeakPolarHBondContact O-CG2 3.26Å; T2252-V2256 PolarHBondContact O-N 3.27Å; I2253-V2256 CarbonylContact O-C 3.57Å; I2253-V2256 PolarHBondContact O-N 3.04Å; L2254-V2256 VanDerWaalsContact C-N 3.3Å; L2254-V2256 PolarHBondContact O-N 3.17Å; V2256-A2258 VanDerWaalsContact C-N 3.29Å; V2256-A2258 PolarHBondContact O-N 2.98Å; V2256-K2259 PolarHBondContact O-N 3.46Å; V2256-S2260 WeakPolarHBondContact O-CB 3.24Å; V2256-S2260 PolarHBondContact O-N 2.86Å
2257S70.4Confident71.1Confident33 Ų3390.4 Ų90.423%0.23147%0.467CS..Hα-helixtrans-66.9-29.4174.188.40000112.8I2253 L2254 R2261I2253-S2257 WeakPolarHBondContact O-CB 3.08Å; I2253-S2257 PolarHBondContact O-N 2.92Å; L2254-S2257 WeakPolarHBondContact CA-OG 3.32Å; L2254-S2257 CarbonylContact O-C 3.59Å; L2254-S2257 PolarHBondContact O-N 3.37Å; L2254-S2257 PolarHBondContact O-OG 3.48Å; S2257-R2261 WeakPolarHBondContact O-CB 3.3Å; S2257-R2261 VanDerWaalsContact O-CG 3.32Å; S2257-R2261 WeakPolarHBondContact O-CG 3.47Å; S2257-R2261 PolarHBondContact O-N 3.4Å; S2257-R2261 PolarHBondContact O-NE 3.09Å; S2257-R2261 PolarHBondContact OG-NH2 3.44Å
2258A62.8Low71.4Confident51 Ų5188.6 Ų88.642%0.42146%0.462SS..Hα-helixtrans-85.4-35179.200000110.6L2254 V2256 S2260 K2262L2254-A2258 WeakPolarHBondContact O-CB 3.44Å; L2254-A2258 PolarHBondContact O-N 3.13Å; V2256-A2258 VanDerWaalsContact C-N 3.29Å; V2256-A2258 PolarHBondContact O-N 2.98Å; A2258-S2260 VanDerWaalsContact C-N 3.34Å; A2258-K2262 WeakPolarHBondContact O-CA 3.29Å; A2258-K2262 WeakPolarHBondContact O-CB 3.45Å; A2258-K2262 PolarHBondContact O-N 2.84Å
2259K74.9Confident71.5Confident133 Ų13389.1 Ų89.158%0.57846%0.464SS*.Hα-helixtrans-65.8-37164.7-75.9165.3-176.8165.10111.1S2255 V2256 Q2263S2255-K2259 WeakPolarHBondContact O-CB 3.32Å; S2255-K2259 WeakPolarHBondContact O-CD 3.33Å; S2255-K2259 WeakPolarHBondContact O-CG 3.14Å; S2255-K2259 PolarHBondContact O-N 2.97Å; V2256-K2259 PolarHBondContact O-N 3.46Å; K2259-Q2263 VanDerWaalsContact O-CB 3.3Å; K2259-Q2263 WeakPolarHBondContact O-CB 3.35Å; K2259-Q2263 VanDerWaalsContact O-CG 3.25Å; K2259-Q2263 WeakPolarHBondContact O-CG 3.44Å; K2259-Q2263 PolarHBondContact O-N 3.43Å
2260S74.1Confident71.8Confident54 Ų5490.9 Ų90.938%0.37847%0.465SS..Hα-helixtrans-69.1-54.4175.6-167.60000110.7V2256 A2258 K2262 Q2263 E2264V2256-S2260 WeakPolarHBondContact O-CB 3.24Å; V2256-S2260 PolarHBondContact O-N 2.86Å; A2258-S2260 VanDerWaalsContact C-N 3.34Å; S2260-K2262 PolarHBondContact O-N 3.5Å; S2260-Q2263 CarbonylContact O-C 3.54Å; S2260-Q2263 WeakPolarHBondContact O-CA 3.36Å; S2260-Q2263 WeakPolarHBondContact O-CB 3.14Å; S2260-Q2263 PolarHBondContact O-N 3.21Å; S2260-E2264 PolarHBondContact O-N 2.9Å
2261R69.9Low72.2Confident151 Ų15191.7 Ų91.757%0.5747%0.467SS*.Hα-helixtrans-59.9-31.1173-77.6179.4-76.6177.4-8.1112.9S2257 A2265S2257-R2261 WeakPolarHBondContact O-CB 3.3Å; S2257-R2261 VanDerWaalsContact O-CG 3.32Å; S2257-R2261 WeakPolarHBondContact O-CG 3.47Å; S2257-R2261 PolarHBondContact O-N 3.4Å; S2257-R2261 PolarHBondContact O-NE 3.09Å; S2257-R2261 PolarHBondContact OG-NH2 3.44Å; R2261-A2265 WeakPolarHBondContact O-CB 3.29Å; R2261-A2265 PolarHBondContact O-N 3.29Å
2262K72.9Confident72.3Confident139 Ų13991 Ų9160%0.60447%0.466SS*.Hα-helixtrans-74.5-32.2170.4-173.8170.8-178.5176.50112.2A2258 S2260 D2266A2258-K2262 WeakPolarHBondContact O-CA 3.29Å; A2258-K2262 WeakPolarHBondContact O-CB 3.45Å; A2258-K2262 PolarHBondContact O-N 2.84Å; S2260-K2262 PolarHBondContact O-N 3.5Å; K2262-D2266 WeakPolarHBondContact O-CA 3.38Å; K2262-D2266 WeakPolarHBondContact O-CB 3.49Å; K2262-D2266 VanDerWaalsContact O-CG 3.29Å; K2262-D2266 PolarHBondContact O-N 2.91Å
2263Q76.9Confident72.4Confident115 Ų11590.2 Ų90.254%0.53746%0.459SS..Hα-helixtrans-72.1-30170.1-79.5-177.818.300112.2K2259 S2260 K2267K2259-Q2263 VanDerWaalsContact O-CB 3.3Å; K2259-Q2263 WeakPolarHBondContact O-CB 3.35Å; K2259-Q2263 VanDerWaalsContact O-CG 3.25Å; K2259-Q2263 WeakPolarHBondContact O-CG 3.44Å; K2259-Q2263 PolarHBondContact O-N 3.43Å; S2260-Q2263 CarbonylContact O-C 3.54Å; S2260-Q2263 WeakPolarHBondContact O-CA 3.36Å; S2260-Q2263 WeakPolarHBondContact O-CB 3.14Å; S2260-Q2263 PolarHBondContact O-N 3.21Å; Q2263-K2267 WeakPolarHBondContact O-CA 3.19Å; Q2263-K2267 WeakPolarHBondContact O-CB 3.39Å; Q2263-K2267 WeakPolarHBondContact O-CD 3.37Å; Q2263-K2267 WeakPolarHBondContact O-CG 3.38Å; Q2263-K2267 PolarHBondContact O-N 2.95Å
2264E75.7Confident72.4Confident113 Ų11390.1 Ų90.153%0.52846%0.459SS..Hα-helixtrans-78.5-36.4172.3-70.7-174.5133.300112S2260 K2267 S2268S2260-E2264 PolarHBondContact O-N 2.9Å; E2264-K2267 PolarHBondContact O-N 2.92Å; E2264-S2268 WeakPolarHBondContact O-CB 3.43Å; E2264-S2268 PolarHBondContact O-N 3.21Å; E2264-S2268 PolarHBondContact O-OG 3.04Å
2265A70.7Confident72.3Confident40 Ų4091.3 Ų91.333%0.33147%0.465SS..Hα-helixtrans-64.3-45.516700000110.4R2261 K2267 S2268 I2269R2261-A2265 WeakPolarHBondContact O-CB 3.29Å; R2261-A2265 PolarHBondContact O-N 3.29Å; A2265-K2267 PolarHBondContact O-N 3.26Å; A2265-S2268 WeakPolarHBondContact CA-OG 3.26Å; A2265-S2268 PolarHBondContact O-N 3.37Å; A2265-S2268 PolarHBondContact O-OG 3.5Å; A2265-I2269 WeakPolarHBondContact O-CB 3.47Å; A2265-I2269 WeakPolarHBondContact O-CD1 3.17Å; A2265-I2269 WeakPolarHBondContact O-CG1 3.5Å; A2265-I2269 PolarHBondContact O-N 3.29Å
2266D76.7Confident72.3Confident54 Ų5496.5 Ų96.529%0.28948%0.478SS..Hα-helixtrans-65.7-37174-86.819.6000111.6K2262 R2270K2262-D2266 WeakPolarHBondContact O-CA 3.38Å; K2262-D2266 WeakPolarHBondContact O-CB 3.49Å; K2262-D2266 VanDerWaalsContact O-CG 3.29Å; K2262-D2266 PolarHBondContact O-N 2.91Å; D2266-R2270 WeakPolarHBondContact O-CA 3.44Å; D2266-R2270 WeakPolarHBondContact O-CB 3.42Å; D2266-R2270 VanDerWaalsContact O-CD 3.27Å; D2266-R2270 WeakPolarHBondContact O-CD 3.25Å; D2266-R2270 WeakPolarHBondContact O-CG 3.29Å; D2266-R2270 PolarHBondContact O-N 3.5Å; D2266-R2270 PolarHBondContact O-NE 2.75Å; D2266-R2270 IonicContact OD2-CZ 3.98Å; D2266-R2270 IonicContact OD2-NH2 2.83Å; D2266-R2270 PolarHBondContact OD2-NH2 2.71Å
2267K77.5Confident72.3Confident124 Ų12498.7 Ų98.754%0.53948%0.48SS..Hα-helixtrans-69.4-40.2174.7-81.7165.1-176.8173.30111.4Q2263 E2264 A2265 R2270 Q2271Q2263-K2267 WeakPolarHBondContact O-CA 3.19Å; Q2263-K2267 WeakPolarHBondContact O-CB 3.39Å; Q2263-K2267 WeakPolarHBondContact O-CD 3.37Å; Q2263-K2267 WeakPolarHBondContact O-CG 3.38Å; Q2263-K2267 PolarHBondContact O-N 2.95Å; E2264-K2267 PolarHBondContact O-N 2.92Å; A2265-K2267 PolarHBondContact O-N 3.26Å; K2267-R2270 CarbonylContact O-C 3.6Å; K2267-R2270 PolarHBondContact O-N 2.89Å; K2267-Q2271 VanDerWaalsContact O-CB 3.27Å; K2267-Q2271 WeakPolarHBondContact O-CB 3.5Å; K2267-Q2271 VanDerWaalsContact O-CG 3.3Å; K2267-Q2271 WeakPolarHBondContact O-CG 3.23Å; K2267-Q2271 PolarHBondContact O-N 3.04Å
2268S70.5Confident72.4Confident55 Ų55101.9 Ų101.939%0.38549%0.491SS..Hα-helixtrans-77.4-34.2179.257.60000111.8E2264 A2265 Q2271 V2272E2264-S2268 WeakPolarHBondContact O-CB 3.43Å; E2264-S2268 PolarHBondContact O-N 3.21Å; E2264-S2268 PolarHBondContact O-OG 3.04Å; A2265-S2268 WeakPolarHBondContact CA-OG 3.26Å; A2265-S2268 PolarHBondContact O-N 3.37Å; A2265-S2268 PolarHBondContact O-OG 3.5Å; S2268-Q2271 CarbonylContact O-C 3.53Å; S2268-Q2271 PolarHBondContact O-N 3.48Å; S2268-V2272 VanDerWaalsContact O-CB 3.24Å; S2268-V2272 WeakPolarHBondContact O-CB 3.29Å; S2268-V2272 VanDerWaalsContact O-CG2 3.22Å; S2268-V2272 WeakPolarHBondContact O-CG2 3.48Å; S2268-V2272 PolarHBondContact O-N 2.78Å
2269I73.1Confident72.4Confident96 Ų96104 Ų10449%0.49250%0.495SS..Hα-helixtrans-65.8-43.6166.4-68.9165000109.6A2265 Q2271 V2272 D2273A2265-I2269 WeakPolarHBondContact O-CB 3.47Å; A2265-I2269 WeakPolarHBondContact O-CD1 3.17Å; A2265-I2269 WeakPolarHBondContact O-CG1 3.5Å; A2265-I2269 PolarHBondContact O-N 3.29Å; I2269-Q2271 VanDerWaalsContact C-N 3.32Å; I2269-Q2271 PolarHBondContact O-N 3.06Å; I2269-V2272 PolarHBondContact O-N 3.29Å; I2269-D2273 VanDerWaalsContact O-CB 3.27Å; I2269-D2273 WeakPolarHBondContact O-CB 3.37Å; I2269-D2273 PolarHBondContact O-N 2.77Å
2270R76.9Confident72Confident166 Ų166105.5 Ų105.563%0.62650%0.501SS*.Hα-helixtrans-66.4-30.6172.8-73166.3-146.4-163.18.8112.4D2266 K2267 L2274D2266-R2270 WeakPolarHBondContact O-CA 3.44Å; D2266-R2270 WeakPolarHBondContact O-CB 3.42Å; D2266-R2270 VanDerWaalsContact O-CD 3.27Å; D2266-R2270 WeakPolarHBondContact O-CD 3.25Å; D2266-R2270 WeakPolarHBondContact O-CG 3.29Å; D2266-R2270 PolarHBondContact O-N 3.5Å; D2266-R2270 PolarHBondContact O-NE 2.75Å; D2266-R2270 IonicContact OD2-CZ 3.98Å; D2266-R2270 IonicContact OD2-NH2 2.83Å; D2266-R2270 PolarHBondContact OD2-NH2 2.71Å; K2267-R2270 CarbonylContact O-C 3.6Å; K2267-R2270 PolarHBondContact O-N 2.89Å; R2270-L2274 WeakPolarHBondContact O-CA 3.45Å; R2270-L2274 WeakPolarHBondContact O-CB 3.21Å; R2270-L2274 PolarHBondContact O-N 3.33Å
2271Q72.6Confident72.1Confident124 Ų124107.1 Ų107.158%0.57950%0.503SS*.Hα-helixtrans-76.7-36.5173.1-83.8177.9-26.300111.4K2267 S2268 I2269 L2274 L2275K2267-Q2271 VanDerWaalsContact O-CB 3.27Å; K2267-Q2271 WeakPolarHBondContact O-CB 3.5Å; K2267-Q2271 VanDerWaalsContact O-CG 3.3Å; K2267-Q2271 WeakPolarHBondContact O-CG 3.23Å; K2267-Q2271 PolarHBondContact O-N 3.04Å; S2268-Q2271 CarbonylContact O-C 3.53Å; S2268-Q2271 PolarHBondContact O-N 3.48Å; I2269-Q2271 VanDerWaalsContact C-N 3.32Å; I2269-Q2271 PolarHBondContact O-N 3.06Å; Q2271-L2274 CarbonylContact O-C 3.58Å; Q2271-L2274 PolarHBondContact O-N 2.92Å; Q2271-L2275 WeakPolarHBondContact O-CA 3.45Å; Q2271-L2275 WeakPolarHBondContact O-CB 3.46Å; Q2271-L2275 WeakPolarHBondContact O-CD1 3.42Å; Q2271-L2275 WeakPolarHBondContact O-CG 3.48Å; Q2271-L2275 PolarHBondContact O-N 2.88Å
2272V67.8Low72.2Confident66 Ų66104 Ų10440%0.450%0.495SS..Hα-helixtrans-70.8-35.3173.7164.50000110.2S2268 I2269 L2275 R2276S2268-V2272 VanDerWaalsContact O-CB 3.24Å; S2268-V2272 WeakPolarHBondContact O-CB 3.29Å; S2268-V2272 VanDerWaalsContact O-CG2 3.22Å; S2268-V2272 WeakPolarHBondContact O-CG2 3.48Å; S2268-V2272 PolarHBondContact O-N 2.78Å; I2269-V2272 PolarHBondContact O-N 3.29Å; V2272-L2275 CarbonylContact O-C 3.6Å; V2272-R2276 HydrophobicContact CG1-CG 4.43Å; V2272-R2276 WeakPolarHBondContact O-CA 3.2Å; V2272-R2276 WeakPolarHBondContact O-CB 3.35Å; V2272-R2276 WeakPolarHBondContact O-CD 3.25Å; V2272-R2276 WeakPolarHBondContact O-CG 3.34Å; V2272-R2276 PolarHBondContact O-N 2.88Å
2273D74.5Confident71.6Confident67 Ų67103.6 Ų103.636%0.35849%0.493SS..Hα-helixtrans-80.9-24172.2-79.2-7.9000112.5I2269 R2276 K2277I2269-D2273 VanDerWaalsContact O-CB 3.27Å; I2269-D2273 WeakPolarHBondContact O-CB 3.37Å; I2269-D2273 PolarHBondContact O-N 2.77Å; D2273-R2276 WeakPolarHBondContact OD1-CD 3.49Å; D2273-R2276 IonicContact OD1-NH1 3.94Å; D2273-R2276 PolarHBondContact OD1-NH1 2.7Å; D2273-R2276 VanDerWaalsContact OD1-NH1 3.08Å; D2273-K2277 WeakPolarHBondContact O-CA 3.06Å; D2273-K2277 WeakPolarHBondContact O-CB 3.43Å; D2273-K2277 WeakPolarHBondContact O-CD 3.35Å; D2273-K2277 WeakPolarHBondContact O-CG 3.44Å; D2273-K2277 PolarHBondContact O-N 3.36Å
2274L74.2Confident71.2Confident93 Ų93105.3 Ų105.349%0.48750%0.495SS..Hα-helixtrans-73.9-36.4166.3-173.769.8000110.5R2270 Q2271 K2277 Q2278R2270-L2274 WeakPolarHBondContact O-CA 3.45Å; R2270-L2274 WeakPolarHBondContact O-CB 3.21Å; R2270-L2274 PolarHBondContact O-N 3.33Å; Q2271-L2274 CarbonylContact O-C 3.58Å; Q2271-L2274 PolarHBondContact O-N 2.92Å; L2274-K2277 CarbonylContact O-C 3.56Å; L2274-K2277 PolarHBondContact O-N 2.6Å; L2274-Q2278 WeakPolarHBondContact O-CA 3.31Å; L2274-Q2278 WeakPolarHBondContact O-CB 3.48Å; L2274-Q2278 WeakPolarHBondContact O-CG 3.41Å; L2274-Q2278 PolarHBondContact O-N 3.22Å
2275L63.9Low71Confident106 Ų106105 Ų10556%0.55550%0.496SS*.Hα-helixtrans-75.4-30.8173.6-76.7166.3000111.5Q2271 V2272 L2279Q2271-L2275 WeakPolarHBondContact O-CA 3.45Å; Q2271-L2275 WeakPolarHBondContact O-CB 3.46Å; Q2271-L2275 WeakPolarHBondContact O-CD1 3.42Å; Q2271-L2275 WeakPolarHBondContact O-CG 3.48Å; Q2271-L2275 PolarHBondContact O-N 2.88Å; V2272-L2275 CarbonylContact O-C 3.6Å; L2275-L2279 WeakPolarHBondContact O-CA 3.22Å; L2275-L2279 WeakPolarHBondContact O-CB 3.45Å; L2275-L2279 PolarHBondContact O-N 3.36Å
2276R68Low70.7Confident154 Ų154108.2 Ų108.258%0.58150%0.502SS*.Hα-helixtrans-77.6-30.9169.4-74.4161.7173174-2.9111.6V2272 D2273 K2280V2272-R2276 HydrophobicContact CG1-CG 4.43Å; V2272-R2276 WeakPolarHBondContact O-CA 3.2Å; V2272-R2276 WeakPolarHBondContact O-CB 3.35Å; V2272-R2276 WeakPolarHBondContact O-CD 3.25Å; V2272-R2276 WeakPolarHBondContact O-CG 3.34Å; V2272-R2276 PolarHBondContact O-N 2.88Å; D2273-R2276 WeakPolarHBondContact OD1-CD 3.49Å; D2273-R2276 IonicContact OD1-NH1 3.94Å; D2273-R2276 PolarHBondContact OD1-NH1 2.7Å; D2273-R2276 VanDerWaalsContact OD1-NH1 3.08Å; R2276-K2280 WeakPolarHBondContact O-CB 3.45Å; R2276-K2280 WeakPolarHBondContact O-CG 3.49Å; R2276-K2280 PolarHBondContact O-N 3.49Å
2277K73.8Confident70Confident139 Ų139111.9 Ų111.960%0.60452%0.518SS*.Hα-helixtrans-69.2-48167.9-80.5168.6-177.1176.30109.9D2273 L2274 L2279 K2280 E2281D2273-K2277 WeakPolarHBondContact O-CA 3.06Å; D2273-K2277 WeakPolarHBondContact O-CB 3.43Å; D2273-K2277 WeakPolarHBondContact O-CD 3.35Å; D2273-K2277 WeakPolarHBondContact O-CG 3.44Å; D2273-K2277 PolarHBondContact O-N 3.36Å; L2274-K2277 CarbonylContact O-C 3.56Å; L2274-K2277 PolarHBondContact O-N 2.6Å; K2277-L2279 VanDerWaalsContact C-N 3.34Å; K2277-L2279 PolarHBondContact O-N 3.46Å; K2277-K2280 CarbonylContact O-C 3.59Å; K2277-K2280 PolarHBondContact O-N 3.43Å; K2277-E2281 WeakPolarHBondContact O-CA 3.47Å; K2277-E2281 WeakPolarHBondContact O-CB 3.26Å; K2277-E2281 PolarHBondContact O-N 3.23Å
2278Q72.8Confident69.6Low99 Ų99108.4 Ų108.446%0.46351%0.509SS..Hα-helixtrans-63.2-34.9173.3-76.8170.5-17.800111.8L2274 E2281 E2282L2274-Q2278 WeakPolarHBondContact O-CA 3.31Å; L2274-Q2278 WeakPolarHBondContact O-CB 3.48Å; L2274-Q2278 WeakPolarHBondContact O-CG 3.41Å; L2274-Q2278 PolarHBondContact O-N 3.22Å; Q2278-E2281 CarbonylContact O-C 3.55Å; Q2278-E2281 PolarHBondContact O-N 2.74Å; Q2278-E2282 WeakPolarHBondContact O-CA 3.49Å; Q2278-E2282 WeakPolarHBondContact O-CB 3.48Å; Q2278-E2282 PolarHBondContact O-N 3.5Å
2279L62.8Low69.4Low97 Ų97108 Ų10851%0.50851%0.509SS..Hα-helixtrans-79-29.8174.2-172.769.3000111.6L2275 K2277 E2281 K2283L2275-L2279 WeakPolarHBondContact O-CA 3.22Å; L2275-L2279 WeakPolarHBondContact O-CB 3.45Å; L2275-L2279 PolarHBondContact O-N 3.36Å; K2277-L2279 VanDerWaalsContact C-N 3.34Å; K2277-L2279 PolarHBondContact O-N 3.46Å; L2279-E2281 VanDerWaalsContact C-N 3.35Å; L2279-K2283 WeakPolarHBondContact O-CA 3.36Å; L2279-K2283 WeakPolarHBondContact O-CB 3.34Å; L2279-K2283 WeakPolarHBondContact O-CG 3.32Å; L2279-K2283 PolarHBondContact O-N 2.91Å
2280K68Low68.6Low164 Ų164108.5 Ų108.571%0.71351%0.512SS*.Hα-helixtrans-72.4-28.8166.3-86.1-172.6170.8-1760112.1R2276 K2277 K2283 R2284R2276-K2280 WeakPolarHBondContact O-CB 3.45Å; R2276-K2280 WeakPolarHBondContact O-CG 3.49Å; R2276-K2280 PolarHBondContact O-N 3.49Å; K2277-K2280 CarbonylContact O-C 3.59Å; K2277-K2280 PolarHBondContact O-N 3.43Å; K2280-K2283 CarbonylContact O-C 3.6Å; K2280-R2284 WeakPolarHBondContact O-CA 3.45Å; K2280-R2284 WeakPolarHBondContact O-CB 3.44Å; K2280-R2284 PolarHBondContact O-N 3.36Å
2281E75.3Confident67.9Low88 Ų88105.9 Ų105.941%0.41151%0.507SS..Hα-helixtrans-89.7-30.6-176.3-174.5136-110.300110.6K2277 Q2278 L2279 R2284 L2285K2277-E2281 WeakPolarHBondContact O-CA 3.47Å; K2277-E2281 WeakPolarHBondContact O-CB 3.26Å; K2277-E2281 PolarHBondContact O-N 3.23Å; Q2278-E2281 CarbonylContact O-C 3.55Å; Q2278-E2281 PolarHBondContact O-N 2.74Å; L2279-E2281 VanDerWaalsContact C-N 3.35Å; E2281-R2284 CarbonylContact O-C 3.58Å; E2281-R2284 PolarHBondContact O-N 2.77Å; E2281-R2284 IonicContact OE1-CZ 2.91Å; E2281-R2284 IonicContact OE1-NE 3.29Å; E2281-R2284 IonicContact OE1-NH2 3.65Å; E2281-R2284 PolarHBondContact OE1-NH2 2.78Å; E2281-L2285 HydrophobicContact CG-CD1 4.3Å; E2281-L2285 WeakPolarHBondContact O-CA 3.49Å; E2281-L2285 WeakPolarHBondContact O-CB 3.27Å; E2281-L2285 WeakPolarHBondContact O-CD1 3.32Å; E2281-L2285 WeakPolarHBondContact O-CG 3.43Å; E2281-L2285 PolarHBondContact O-N 2.85Å
2282E71.8Confident67.7Low85 Ų85106.2 Ų106.240%0.39751%0.506SS..Hα-helixtrans-80.8-30.8167-160.9-130.6-148.600110.3Q2278 K2286Q2278-E2282 WeakPolarHBondContact O-CA 3.49Å; Q2278-E2282 WeakPolarHBondContact O-CB 3.48Å; Q2278-E2282 PolarHBondContact O-N 3.5Å; E2282-K2286 HydrophobicContact CG-CD 4.33Å; E2282-K2286 WeakPolarHBondContact O-CA 3.48Å; E2282-K2286 WeakPolarHBondContact O-CB 3.38Å; E2282-K2286 WeakPolarHBondContact O-CG 3.34Å; E2282-K2286 PolarHBondContact O-N 2.92Å; E2282-K2286 WeakPolarHBondContact OE1-CE 3.33Å; E2282-K2286 IonicContact OE1-NZ 3.41Å; E2282-K2286 PolarHBondContact OE1-NZ 2.66Å; E2282-K2286 VanDerWaalsContact OE2-CE 3.31Å; E2282-K2286 WeakPolarHBondContact OE2-CE 3.48Å; E2282-K2286 IonicContact OE2-NZ 3.18Å; E2282-K2286 PolarHBondContact OE2-NZ 3.34Å
2283K60.5Low67.4Low131 Ų131107.7 Ų107.757%0.5751%0.511SS*.Hα-helixtrans-68.3-32159.5-80.4-176.1168.1-174.30112.4L2279 K2280 Q2287L2279-K2283 WeakPolarHBondContact O-CA 3.36Å; L2279-K2283 WeakPolarHBondContact O-CB 3.34Å; L2279-K2283 WeakPolarHBondContact O-CG 3.32Å; L2279-K2283 PolarHBondContact O-N 2.91Å; K2280-K2283 CarbonylContact O-C 3.6Å; K2283-Q2287 WeakPolarHBondContact O-CA 3.05Å; K2283-Q2287 WeakPolarHBondContact O-CB 3.43Å; K2283-Q2287 WeakPolarHBondContact O-CG 3.23Å; K2283-Q2287 PolarHBondContact O-N 2.78Å
2284R68.9Low66.6Low151 Ų151108.9 Ų108.957%0.5752%0.517SS*.Hα-helixtrans-77.5-25.8174.2-174178.477.699.4-5.3111.9K2280 E2281 S2288K2280-R2284 WeakPolarHBondContact O-CA 3.45Å; K2280-R2284 WeakPolarHBondContact O-CB 3.44Å; K2280-R2284 PolarHBondContact O-N 3.36Å; E2281-R2284 CarbonylContact O-C 3.58Å; E2281-R2284 PolarHBondContact O-N 2.77Å; E2281-R2284 IonicContact OE1-CZ 2.91Å; E2281-R2284 IonicContact OE1-NE 3.29Å; E2281-R2284 IonicContact OE1-NH2 3.65Å; E2281-R2284 PolarHBondContact OE1-NH2 2.78Å; R2284-S2288 WeakPolarHBondContact O-CA 3.48Å; R2284-S2288 WeakPolarHBondContact O-CB 3.35Å; R2284-S2288 PolarHBondContact O-N 2.94Å
2285L70.8Confident65.8Low106 Ų106107.8 Ų107.856%0.55551%0.512SS*.Hα-helixtrans-86.4-31.2173.5-77.2163.6000111E2281 S2288 A2289E2281-L2285 HydrophobicContact CG-CD1 4.3Å; E2281-L2285 WeakPolarHBondContact O-CA 3.49Å; E2281-L2285 WeakPolarHBondContact O-CB 3.27Å; E2281-L2285 WeakPolarHBondContact O-CD1 3.32Å; E2281-L2285 WeakPolarHBondContact O-CG 3.43Å; E2281-L2285 PolarHBondContact O-N 2.85Å; L2285-S2288 CarbonylContact O-C 3.58Å; L2285-S2288 PolarHBondContact O-N 2.99Å; L2285-A2289 WeakPolarHBondContact O-CA 3.43Å; L2285-A2289 WeakPolarHBondContact O-CB 3.35Å; L2285-A2289 PolarHBondContact O-N 3.5Å
2286K64.5Low65.7Low108 Ų108107.5 Ų107.547%0.4751%0.51SS..Hα-helixtrans-76.6-36.1168.5-74171.6177.8164.70111.3E2282 A2289 L2290E2282-K2286 HydrophobicContact CG-CD 4.33Å; E2282-K2286 WeakPolarHBondContact O-CA 3.48Å; E2282-K2286 WeakPolarHBondContact O-CB 3.38Å; E2282-K2286 WeakPolarHBondContact O-CG 3.34Å; E2282-K2286 PolarHBondContact O-N 2.92Å; E2282-K2286 WeakPolarHBondContact OE1-CE 3.33Å; E2282-K2286 IonicContact OE1-NZ 3.41Å; E2282-K2286 PolarHBondContact OE1-NZ 2.66Å; E2282-K2286 VanDerWaalsContact OE2-CE 3.31Å; E2282-K2286 WeakPolarHBondContact OE2-CE 3.48Å; E2282-K2286 IonicContact OE2-NZ 3.18Å; E2282-K2286 PolarHBondContact OE2-NZ 3.34Å; K2286-A2289 PolarHBondContact O-N 3.01Å; K2286-L2290 WeakPolarHBondContact O-CB 3.36Å; K2286-L2290 VanDerWaalsContact O-CG 3.26Å; K2286-L2290 WeakPolarHBondContact O-CG 3.49Å; K2286-L2290 PolarHBondContact O-N 3.46Å
2287Q62.3Low65Low130 Ų130104.2 Ų104.261%0.60750%0.502SS*.Hα-helixtrans-69.2-38.1164.4-75.2-174.6-79.500110.6K2283 A2289 Q2291K2283-Q2287 WeakPolarHBondContact O-CA 3.05Å; K2283-Q2287 WeakPolarHBondContact O-CB 3.43Å; K2283-Q2287 WeakPolarHBondContact O-CG 3.23Å; K2283-Q2287 PolarHBondContact O-N 2.78Å; Q2287-A2289 PolarHBondContact O-N 2.75Å; Q2287-Q2291 VanDerWaalsContact O-CA 3.26Å; Q2287-Q2291 WeakPolarHBondContact O-CA 3.32Å; Q2287-Q2291 WeakPolarHBondContact O-CB 3.34Å; Q2287-Q2291 PolarHBondContact O-N 3.05Å
2288S69.8Low64.1Low52 Ų5299.9 Ų99.936%0.36449%0.49SS..Hα-helixtrans-78.8-3.1173.1-176.90000113.4R2284 L2285 K2292R2284-S2288 WeakPolarHBondContact O-CA 3.48Å; R2284-S2288 WeakPolarHBondContact O-CB 3.35Å; R2284-S2288 PolarHBondContact O-N 2.94Å; L2285-S2288 CarbonylContact O-C 3.58Å; L2285-S2288 PolarHBondContact O-N 2.99Å; S2288-K2292 WeakPolarHBondContact O-CB 3.48Å; S2288-K2292 WeakPolarHBondContact O-CD 3.31Å; S2288-K2292 WeakPolarHBondContact O-CG 3.4Å; S2288-K2292 PolarHBondContact O-N 3.4Å; S2288-K2292 VanDerWaalsContact O-N 3.15Å
2289A64.5Low63Low46 Ų46100.1 Ų100.138%0.3849%0.491SS..Hα-helixtrans-101.2-44172.500000109.9L2285 K2286 Q2287 K2292 I2293L2285-A2289 WeakPolarHBondContact O-CA 3.43Å; L2285-A2289 WeakPolarHBondContact O-CB 3.35Å; L2285-A2289 PolarHBondContact O-N 3.5Å; K2286-A2289 PolarHBondContact O-N 3.01Å; Q2287-A2289 PolarHBondContact O-N 2.75Å; A2289-K2292 CarbonylContact O-C 3.55Å; A2289-K2292 PolarHBondContact O-N 2.96Å; A2289-I2293 WeakPolarHBondContact O-CB 3.34Å; A2289-I2293 WeakPolarHBondContact O-CD1 3.39Å; A2289-I2293 WeakPolarHBondContact O-CG1 3.44Å; A2289-I2293 PolarHBondContact O-N 3.33Å
2290L56.3Low62.5Low106 Ų10699.9 Ų99.956%0.55549%0.49SS*.Hα-helixtrans-61.3-45.8165.6-74.3166.5000110.2K2286 K2292 I2293 D2294K2286-L2290 WeakPolarHBondContact O-CB 3.36Å; K2286-L2290 VanDerWaalsContact O-CG 3.26Å; K2286-L2290 WeakPolarHBondContact O-CG 3.49Å; K2286-L2290 PolarHBondContact O-N 3.46Å; L2290-K2292 VanDerWaalsContact C-N 3.33Å; L2290-K2292 PolarHBondContact O-N 3.21Å; L2290-I2293 CarbonylContact O-C 3.58Å; L2290-I2293 WeakPolarHBondContact O-CA 3.41Å; L2290-I2293 WeakPolarHBondContact O-CB 3.39Å; L2290-I2293 PolarHBondContact O-N 2.88Å; L2290-D2294 WeakPolarHBondContact O-CB 3.39Å; L2290-D2294 PolarHBondContact O-N 3.06Å
2291Q62.7Low61.6Low112 Ų11298.9 Ų98.952%0.52348%0.482SS..Hα-helixtrans-75.3-18172.7-163.1168.116.400112.3Q2287 D2295Q2287-Q2291 VanDerWaalsContact O-CA 3.26Å; Q2287-Q2291 WeakPolarHBondContact O-CA 3.32Å; Q2287-Q2291 WeakPolarHBondContact O-CB 3.34Å; Q2287-Q2291 PolarHBondContact O-N 3.05Å; Q2291-D2295 WeakPolarHBondContact O-CA 3.32Å; Q2291-D2295 WeakPolarHBondContact O-CB 3.3Å; Q2291-D2295 PolarHBondContact O-N 2.81Å
2292K69.2Low60.1Low130 Ų13099.4 Ų99.457%0.56549%0.485SS*.Hα-helixtrans-77.4-23.2160.6-91.5177.3176.3-1730112.7S2288 A2289 L2290 I2296S2288-K2292 WeakPolarHBondContact O-CB 3.48Å; S2288-K2292 WeakPolarHBondContact O-CD 3.31Å; S2288-K2292 WeakPolarHBondContact O-CG 3.4Å; S2288-K2292 PolarHBondContact O-N 3.4Å; S2288-K2292 VanDerWaalsContact O-N 3.15Å; A2289-K2292 CarbonylContact O-C 3.55Å; A2289-K2292 PolarHBondContact O-N 2.96Å; L2290-K2292 VanDerWaalsContact C-N 3.33Å; L2290-K2292 PolarHBondContact O-N 3.21Å; K2292-I2296 WeakPolarHBondContact O-CA 3.4Å; K2292-I2296 WeakPolarHBondContact O-CB 3.18Å; K2292-I2296 VanDerWaalsContact O-CD1 3.29Å; K2292-I2296 WeakPolarHBondContact O-CD1 3.26Å; K2292-I2296 WeakPolarHBondContact O-CG1 3.31Å; K2292-I2296 PolarHBondContact O-N 3.35Å
2293I60.6Low58.8Low97 Ų97101.9 Ų101.950%0.49749%0.494SS..Hα-helixtrans-82.5-39174.9-74.1161.4000109A2289 L2290 I2296 M2297A2289-I2293 WeakPolarHBondContact O-CB 3.34Å; A2289-I2293 WeakPolarHBondContact O-CD1 3.39Å; A2289-I2293 WeakPolarHBondContact O-CG1 3.44Å; A2289-I2293 PolarHBondContact O-N 3.33Å; L2290-I2293 CarbonylContact O-C 3.58Å; L2290-I2293 WeakPolarHBondContact O-CA 3.41Å; L2290-I2293 WeakPolarHBondContact O-CB 3.39Å; L2290-I2293 PolarHBondContact O-N 2.88Å; I2293-I2296 CarbonylContact O-C 3.58Å; I2293-I2296 PolarHBondContact O-N 2.96Å; I2293-M2297 HydrophobicContact CG2-CG 4.42Å; I2293-M2297 WeakPolarHBondContact O-CA 3.18Å; I2293-M2297 WeakPolarHBondContact O-CB 3.25Å; I2293-M2297 WeakPolarHBondContact O-CG 3.45Å; I2293-M2297 PolarHBondContact O-N 2.94Å
2294D58.6Low58.3Low92 Ų92102 Ų10249%0.49250%0.497SS..Hα-helixtrans-72.6-30.3170-59.2-34.8000110.5L2290 S2298L2290-D2294 WeakPolarHBondContact O-CB 3.39Å; L2290-D2294 PolarHBondContact O-N 3.06Å; D2294-S2298 WeakPolarHBondContact O-CA 3.25Å; D2294-S2298 WeakPolarHBondContact O-CB 3.42Å; D2294-S2298 PolarHBondContact O-N 3.42Å; D2294-S2298 PolarHBondContact O-OG 2.85Å
2295D56.5Low56.9Low70 Ų7097.7 Ų97.737%0.37449%0.49SS..Hα-helixtrans-79.1-23.6167.7-71.2-18.3000111.7Q2291 Q2299Q2291-D2295 WeakPolarHBondContact O-CA 3.32Å; Q2291-D2295 WeakPolarHBondContact O-CB 3.3Å; Q2291-D2295 PolarHBondContact O-N 2.81Å; D2295-Q2299 WeakPolarHBondContact O-CA 3.44Å; D2295-Q2299 WeakPolarHBondContact O-CB 3.32Å; D2295-Q2299 WeakPolarHBondContact O-CG 3.37Å; D2295-Q2299 PolarHBondContact O-N 3.02Å; D2295-Q2299 PolarHBondContact O-NE2 3.26Å
2296I62.6Low55.1Low100 Ų10095.7 Ų95.751%0.51348%0.482SS..Hα-helixtrans-82.2-33.9171.7-78.9164.5000110.5K2292 I2293 Q2299 L2300K2292-I2296 WeakPolarHBondContact O-CA 3.4Å; K2292-I2296 WeakPolarHBondContact O-CB 3.18Å; K2292-I2296 VanDerWaalsContact O-CD1 3.29Å; K2292-I2296 WeakPolarHBondContact O-CD1 3.26Å; K2292-I2296 WeakPolarHBondContact O-CG1 3.31Å; K2292-I2296 PolarHBondContact O-N 3.35Å; I2293-I2296 CarbonylContact O-C 3.58Å; I2293-I2296 PolarHBondContact O-N 2.96Å; I2296-Q2299 CarbonylContact O-C 3.29Å; I2296-L2300 WeakPolarHBondContact O-CB 3.3Å; I2296-L2300 WeakPolarHBondContact O-CG 3.32Å; I2296-L2300 PolarHBondContact O-N 3.16Å
2297M51.6Low54.2Low85 Ų8598.2 Ų98.242%0.41950%0.495SS..Hα-helixtrans-71.6-40.5169.8-71-76.9-71.500109.9I2293 L2300 Y2301I2293-M2297 HydrophobicContact CG2-CG 4.42Å; I2293-M2297 WeakPolarHBondContact O-CA 3.18Å; I2293-M2297 WeakPolarHBondContact O-CB 3.25Å; I2293-M2297 WeakPolarHBondContact O-CG 3.45Å; I2293-M2297 PolarHBondContact O-N 2.94Å; M2297-L2300 WeakPolarHBondContact O-CB 3.5Å; M2297-L2300 PolarHBondContact O-N 3.47Å; M2297-Y2301 HydrophobicContact CE-CE2 4.13Å; M2297-Y2301 WeakPolarHBondContact O-CB 3.35Å; M2297-Y2301 WeakPolarHBondContact O-CD2 3.41Å; M2297-Y2301 PolarHBondContact O-N 2.64Å
2298S56Low52.8Low48 Ų4897.7 Ų97.734%0.33650%0.501SS..Hα-helixtrans-77.7-21.7172.7-57.40000112.5D2294 Y2301 Q2302D2294-S2298 WeakPolarHBondContact O-CA 3.25Å; D2294-S2298 WeakPolarHBondContact O-CB 3.42Å; D2294-S2298 PolarHBondContact O-N 3.42Å; D2294-S2298 PolarHBondContact O-OG 2.85Å; S2298-Y2301 CarbonylContact O-C 3.55Å; S2298-Q2302 WeakPolarHBondContact O-CA 3.34Å; S2298-Q2302 WeakPolarHBondContact O-CB 3.47Å; S2298-Q2302 WeakPolarHBondContact O-CG 3.11Å; S2298-Q2302 PolarHBondContact O-N 3.28Å
2299Q48.9Very low50.8Low104 Ų10498.2 Ų98.249%0.48651%0.509SS..Hα-helixtrans-84.1-16.1165.2-73.2160.236.700111.8D2295 I2296 F2303D2295-Q2299 WeakPolarHBondContact O-CA 3.44Å; D2295-Q2299 WeakPolarHBondContact O-CB 3.32Å; D2295-Q2299 WeakPolarHBondContact O-CG 3.37Å; D2295-Q2299 PolarHBondContact O-N 3.02Å; D2295-Q2299 PolarHBondContact O-NE2 3.26Å; I2296-Q2299 CarbonylContact O-C 3.29Å; Q2299-F2303 WeakPolarHBondContact O-CB 3.49Å; Q2299-F2303 WeakPolarHBondContact O-CD2 3.46Å; Q2299-F2303 PolarHBondContact O-N 2.96Å
2300L52.2Low49Very low93 Ų93101 Ų10149%0.48753%0.525SS..Hα-helixtrans-72-57.6160.9-92.4157.3000108.5I2296 M2297 Q2302 F2303 E2304I2296-L2300 WeakPolarHBondContact O-CB 3.3Å; I2296-L2300 WeakPolarHBondContact O-CG 3.32Å; I2296-L2300 PolarHBondContact O-N 3.16Å; M2297-L2300 WeakPolarHBondContact O-CB 3.5Å; M2297-L2300 PolarHBondContact O-N 3.47Å; L2300-Q2302 PolarHBondContact O-N 2.9Å; L2300-Q2302 VanDerWaalsContact O-N 3.13Å; L2300-F2303 CarbonylContact O-C 3.59Å; L2300-F2303 PolarHBondContact O-N 3.48Å; L2300-E2304 WeakPolarHBondContact O-CB 3.27Å; L2300-E2304 WeakPolarHBondContact O-CG 3.49Å; L2300-E2304 PolarHBondContact O-N 3.38Å
2301Y49.4Very low47.7Very low142 Ų142100.7 Ų100.756%0.55753%0.533SS*.Hα-helixtrans-62.5-20.4176.3-64.5-48.9000114M2297 S2298 E2304 S2305M2297-Y2301 HydrophobicContact CE-CE2 4.13Å; M2297-Y2301 WeakPolarHBondContact O-CB 3.35Å; M2297-Y2301 WeakPolarHBondContact O-CD2 3.41Å; M2297-Y2301 PolarHBondContact O-N 2.64Å; S2298-Y2301 CarbonylContact O-C 3.55Å; Y2301-E2304 WeakPolarHBondContact CD1-OE2 3.43Å; Y2301-S2305 WeakPolarHBondContact O-CB 3.47Å; Y2301-S2305 PolarHBondContact O-N 2.84Å; Y2301-S2305 PolarHBondContact O-OG 3.45Å
2302Q43.4Very low45.9Very low100 Ų100103.5 Ų103.547%0.46755%0.546SS..Hα-helixtrans-99.1-17.4170-67.4171.311.600113.5S2298 L2300 V2306 Q2307S2298-Q2302 WeakPolarHBondContact O-CA 3.34Å; S2298-Q2302 WeakPolarHBondContact O-CB 3.47Å; S2298-Q2302 WeakPolarHBondContact O-CG 3.11Å; S2298-Q2302 PolarHBondContact O-N 3.28Å; L2300-Q2302 PolarHBondContact O-N 2.9Å; L2300-Q2302 VanDerWaalsContact O-N 3.13Å; Q2302-V2306 HydrophobicContact CB-CB 4.13Å; Q2302-V2306 HydrophobicContact CB-CG2 4.11Å; Q2302-V2306 HydrophobicContact CG-CG2 4.24Å; Q2302-V2306 CarbonylContact O-C 3.52Å; Q2302-V2306 WeakPolarHBondContact O-CA 3.5Å; Q2302-V2306 WeakPolarHBondContact O-CB 3.21Å; Q2302-V2306 PolarHBondContact O-N 2.91Å; Q2302-Q2307 PolarHBondContact O-N 3.09Å
2303F44.5Very low43.9Very low136 Ų136102.8 Ų102.860%0.59655%0.547SS*.Hα-helixtrans-70.5-26.6156.6-91.3-105.4000110.1Q2299 L2300 Q2307Q2299-F2303 WeakPolarHBondContact O-CB 3.49Å; Q2299-F2303 WeakPolarHBondContact O-CD2 3.46Å; Q2299-F2303 PolarHBondContact O-N 2.96Å; L2300-F2303 CarbonylContact O-C 3.59Å; L2300-F2303 PolarHBondContact O-N 3.48Å; F2303-Q2307 WeakPolarHBondContact O-CB 3.22Å; F2303-Q2307 WeakPolarHBondContact O-CG 3.47Å
2304E50.9Low42.3Very low135 Ų135105.9 Ų105.963%0.63156%0.557SS**Hα-helixtrans-81.5-22.9171.4-67.1176160.500114.1L2300 Y2301L2300-E2304 WeakPolarHBondContact O-CB 3.27Å; L2300-E2304 WeakPolarHBondContact O-CG 3.49Å; L2300-E2304 PolarHBondContact O-N 3.38Å; Y2301-E2304 WeakPolarHBondContact CD1-OE2 3.43Å
2305S39Very low40.7Very low60 Ų60108.8 Ų108.842%0.4257%0.567SS.*Hα-helixtrans-124.4-0.2-179.867.70000116.9Y2301 T2308Y2301-S2305 WeakPolarHBondContact O-CB 3.47Å; Y2301-S2305 PolarHBondContact O-N 2.84Å; Y2301-S2305 PolarHBondContact O-OG 3.45Å; S2305-T2308 PolarHBondContact O-OG1 3.27Å
2306V33.6Very low39.1Very low64 Ų64112.9 Ų112.939%0.38858%0.582SS.*Hα-helixtrans-124-4.4173.7166.60000112.1Q2302 T2308 A2309Q2302-V2306 HydrophobicContact CB-CB 4.13Å; Q2302-V2306 HydrophobicContact CB-CG2 4.11Å; Q2302-V2306 HydrophobicContact CG-CG2 4.24Å; Q2302-V2306 CarbonylContact O-C 3.52Å; Q2302-V2306 WeakPolarHBondContact O-CA 3.5Å; Q2302-V2306 WeakPolarHBondContact O-CB 3.21Å; Q2302-V2306 PolarHBondContact O-N 2.91Å; V2306-T2308 PolarHBondContact O-N 2.83Å; V2306-T2308 VanDerWaalsContact O-N 3.16Å; V2306-A2309 WeakPolarHBondContact CG1-O 3.38Å; V2306-A2309 HydrophobicContact CG2-CB 4.33Å; V2306-A2309 PolarHBondContact O-N 2.99Å
2307Q45Very low37.3Very low160 Ų160115.9 Ų115.975%0.74859%0.593SS**SBendtrans-59.9-10144.8-81.5-168.1-5.500112.3Q2302 F2303Q2302-Q2307 PolarHBondContact O-N 3.09Å; F2303-Q2307 WeakPolarHBondContact O-CB 3.22Å; F2303-Q2307 WeakPolarHBondContact O-CG 3.47Å
2308T34.1Very low35.9Very low119 Ų119115.3 Ų115.373%0.7360%0.602SS**SBendtrans-112.8-3.2173.839.70000115S2305 V2306S2305-T2308 PolarHBondContact O-OG1 3.27Å; V2306-T2308 PolarHBondContact O-N 2.83Å; V2306-T2308 VanDerWaalsContact O-N 3.16Å
2309A27.1Very low34.4Very low63 Ų63118.7 Ų118.752%0.52163%0.626SS.*SBendtrans-158.168.2-172.500000115V2306V2306-A2309 WeakPolarHBondContact CG1-O 3.38Å; V2306-A2309 HydrophobicContact CG2-CB 4.33Å; V2306-A2309 PolarHBondContact O-N 2.99Å
2310S27.6Very low33.2Very low104 Ų104117.7 Ų117.773%0.72764%0.635SS**  trans-61.6138.9177.653.10000115
2311S27.6Very low31.9Very low101 Ų101120.2 Ų120.271%0.70665%0.649SS**  trans168.1125.2134.5-78.30000115.3
2312E25.3Very low30.7Very low171 Ų171120 Ų12080%0.79966%0.657SS**  33.3143112.1-66.2-156.3160.400121.7
2313I26.8Very low29.7Very low114 Ų114122.3 Ų122.359%0.58567%0.672SS**  cis-169.2154-10-126.5172.4000113.1
2314K27.1Very low28.8Very low163 Ų163122.3 Ų122.371%0.70968%0.678SS**  trans48.2112154-63.7165.9-162.6160.40124.1
2315Q24.4Very low27.5Very low153 Ų153125.7 Ų125.772%0.71569%0.685SS**  59.9123.2111-67.4-171.113.500124.4
2316K24Very low26.8Very low155 Ų155128.4 Ų128.467%0.67470%0.699SS**  89.5153.8120.4-82-179.7171.1-177.80123.1
2317H24Very low26.3Very low164 Ų164131.1 Ų131.176%0.75971%0.712SS**  trans75.4154.2159.9-67.6-67.5000118.6
2318A23.3Very low25.3Very low73 Ų73131.4 Ų131.460%0.60371%0.71SS**  cis179.2148.3-46.400000110.2
2319S24.2Very low24.7Very low119 Ų119135.7 Ų135.783%0.83271%0.713SS**  trans68.7132.4150.2-60.10000121.4
2320A24.4Very low24.6Very low83 Ų83140.6 Ų140.669%0.68673%0.725SS**  trans96.8120.3130.700000121.6
2321N25.2Very low24.3Very low146 Ų146140.2 Ų140.278%0.78172%0.722SS**  97.7124.5124.8-74.11000123.1
2322L23.4Very low24.1Very low138 Ų138141.8 Ų141.872%0.72373%0.728SS**  trans74.9120.2136.4-92.779.3000122.1
2323L23.2Very low24Very low148 Ų148136.9 Ų136.978%0.77572%0.723SS**  62.8119.7129.2-108.181000121.8
2324D25.3Very low23.8Very low135 Ų135138.5 Ų138.572%0.72273%0.731SS**  122.2161.3118.5-140.22.5000117.7
2325R23.6Very low23.8Very low206 Ų206140 Ų14078%0.77774%0.741SS**  trans-49.5156.1-159.9-85.4157.8151.1179.4-7.4121.7
2326T23.9Very low23.8Very low118 Ų118137.9 Ų137.972%0.72474%0.739SS**  trans80.2116.7137.946.70000122
2327D23Very low23.8Very low121 Ų121139.9 Ų139.965%0.64775%0.747SS**  84.7132129.6-92.927.5000123.8
2328K24.9Very low23.8Very low165 Ų165137.3 Ų137.372%0.71774%0.743SS**  trans80.995.7145.3-68.9165.9180114.60120.4
2329R21.5Very low23.9Very low210 Ų210142.3 Ų142.379%0.79275%0.754SS**  72.8136.1121-76.1-174.5172.5-174.6-1.9120.7
2330Q23.9Very low23.9Very low166 Ų166139.8 Ų139.878%0.77675%0.747SS**  trans70.4142.9149-68.2161.2-56.300116.6
2331S22.1Very low24Very low95 Ų95142.7 Ų142.766%0.66475%0.751SS**  cis-168148.5-13.245.30000111.9
2332T23.1Very low24.1Very low135 Ų135144 Ų14483%0.82875%0.752SS**  trans50.3126.5147.954.90000121.4
2333G23.6Very low24.3Very low67 Ų67143.1 Ų143.169%0.69175%0.752SS**  trans151.969.416600000112.5
2334I22.9Very low24.6Very low149 Ų149144.6 Ų144.676%0.76476%0.755SS**  52.398.787.8-52.9173000112.5T2336I2334-T2336 HydrophobicContact CG2-CG2 4.4Å
2335Q26.9Very low24.6Very low195 Ų195147.5 Ų147.591%0.91176%0.761SS**  trans-134.5149.2146.6-78.6-163.3-1300109.3
2336T23.4Very low24.9Very low108 Ų108144.5 Ų144.566%0.66377%0.766SS**  trans-145.3143-166.4540000111.2I2334I2334-T2336 HydrophobicContact CG2-CG2 4.4Å
2337K24Very low24.9Very low196 Ų196150.5 Ų150.585%0.85278%0.775SS**  trans68.1160.9158.3-66.4177.1177.6-1770114.4
2338V25.2Very low25.5Very low110 Ų110149.9 Ų149.967%0.66778%0.778SS**  cis-150.1134.31.597.10000112.3
2339Q25Very low25.8Very low178 Ų178149 Ų14983%0.83279%0.786SS**  46.9140128.6-167.9174.6-9.600123.7
2340G24.2Very low26.1Very low67 Ų67144.5 Ų144.569%0.69178%0.782SS**  trans118.2147.1158.800000114.5
2341D25.8Very low26.3Very low143 Ų143143 Ų14377%0.76578%0.784SS**  cis-163.6-175.1-25.6-143.1-37.7000109.5
2342Q27.3Very low26.5Very low174 Ų174143.3 Ų143.381%0.81379%0.786SS**  trans73.9126.3178.8-46.6-178.614.100114.5
2343V28.3Very low27.1Very low119 Ų119143.6 Ų143.672%0.72178%0.781SS**  cis86.492.623.3-170.90000115.3
2344Q28.3Very low27.8Very low180 Ų180146 Ų14684%0.84178%0.784SS**  trans-154.898.6144.6-117.1171.570.600115.1
2345K26.5Very low28.7Very low196 Ų196141.6 Ų141.685%0.85277%0.767SS**  trans32.4105.8133.2-59.9175.8-179.8175.30119.5
2346T28.4Very low29.2Very low143 Ų143138.4 Ų138.488%0.87776%0.756SS**  trans-121.6146.1146.5490000109.6
2347R24.8Very low29.8Very low244 Ų244143.9 Ų143.992%0.92176%0.764SS**PPolyproline II helixtrans-101.5134.2175.1-163.6172.3-174.1-178.61.3108.8
2348P36.6Very low30.8Very low108 Ų108141.4 Ų141.470%0.70176%0.756SS**PPolyproline II helixtrans-93.5154.8-155.335.3-37.3000114.7
2349V30Very low31.9Very low145 Ų145144.6 Ų144.688%0.87976%0.756SS**PPolyproline II helixtrans-94.8124159.61760000108.7
2350T27Very low32.9Very low116 Ų116140.7 Ų140.771%0.71274%0.74SS**PPolyproline II helixtrans-92.1154171.947.80000109.9
2351V28.9Very low33.9Very low134 Ų134139.7 Ų139.781%0.81273%0.725SS**  cis-157.3145-9.71200000108.4
2352S26.1Very low35Very low103 Ų103137.8 Ų137.872%0.7271%0.712SS**  trans-172.6173.2151.653.90000111.2
2353I35.3Very low36.3Very low140 Ų140137.2 Ų137.272%0.71871%0.706SS**  trans75.4109.4173-51.3173.3000116.3S2355I2353-S2355 PolarHBondContact O-N 3.45Å
2354P38.8Very low37.2Very low117 Ų117136.8 Ų136.876%0.7670%0.7SS**  trans-85.855.8-174.737.1-37.9000114.6L2356P2354-L2356 PolarHBondContact O-N 3.13Å; P2354-L2356 VanDerWaalsContact O-N 3.08Å
2355S41.2Very low37.9Very low58 Ų58133 Ų13341%0.40669%0.685SS.*Hα-helixtrans-68-6.8-173.7620000116.7I2353 R2359I2353-S2355 PolarHBondContact O-N 3.45Å; S2355-R2359 PolarHBondContact O-N 2.58Å
2356L38.2Very low39.1Very low128 Ų128130.8 Ų130.867%0.6768%0.675SS**Hα-helixtrans-78.1-32.5-171.5-140.6159.5000112.6P2354 L2360P2354-L2356 PolarHBondContact O-N 3.13Å; P2354-L2356 VanDerWaalsContact O-N 3.08Å; L2356-L2360 HydrophobicContact CD2-CD1 3.92Å; L2356-L2360 HydrophobicContact CD2-CG 4.47Å; L2356-L2360 PolarHBondContact O-N 2.85Å; L2356-L2360 VanDerWaalsContact O-N 3.08Å
2357R36.7Very low40Very low223 Ų223128.2 Ų128.284%0.84266%0.663SS**Hα-helixtrans-71.8-40.8178.8-146.5177.8-165.3-1753.9111.6L2360 A2361R2357-L2360 PolarHBondContact O-N 3.48Å; R2357-A2361 PolarHBondContact O-N 3.42Å
2358E44.1Very low40.7Very low143 Ų143120.1 Ų120.167%0.66864%0.637SS**Hα-helixtrans-65.2-41.7173.8-65.6-178.5137.600112.1L2360 A2361 E2362E2358-L2360 VanDerWaalsContact C-N 3.31Å; E2358-L2360 PolarHBondContact O-N 3.22Å; E2358-A2361 PolarHBondContact O-N 2.85Å; E2358-E2362 PolarHBondContact O-N 2.98Å
2359R48.6Very low41.2Very low177 Ų177118.9 Ų118.967%0.66863%0.629SS**Hα-helixtrans-66.7-28.5175.4-87.7-178.7159.5177.3-4.1114S2355 K2363S2355-R2359 PolarHBondContact O-N 2.58Å; R2359-K2363 WeakPolarHBondContact O-CB 3.48Å; R2359-K2363 WeakPolarHBondContact O-CG 3.47Å; R2359-K2363 PolarHBondContact O-N 2.82Å; R2359-K2363 VanDerWaalsContact O-N 3.17Å
2360L45.9Very low42.1Very low96 Ų96116.4 Ų116.450%0.50362%0.616SS.*Hα-helixtrans-72.2-43.2169.8-90163.7000111.4L2356 R2357 E2358 K2363 L2364L2356-L2360 HydrophobicContact CD2-CD1 3.92Å; L2356-L2360 HydrophobicContact CD2-CG 4.47Å; L2356-L2360 PolarHBondContact O-N 2.85Å; L2356-L2360 VanDerWaalsContact O-N 3.08Å; R2357-L2360 PolarHBondContact O-N 3.48Å; E2358-L2360 VanDerWaalsContact C-N 3.31Å; E2358-L2360 PolarHBondContact O-N 3.22Å; L2360-K2363 PolarHBondContact O-N 3.48Å; L2360-L2364 WeakPolarHBondContact O-CG 3.45Å; L2360-L2364 PolarHBondContact O-N 2.88Å
2361A44.5Very low43.5Very low46 Ų46116.2 Ų116.238%0.3861%0.61SS.*Hα-helixtrans-59.4-50173.800000111.7R2357 E2358 K2363 L2364 L2365R2357-A2361 PolarHBondContact O-N 3.42Å; E2358-A2361 PolarHBondContact O-N 2.85Å; A2361-K2363 VanDerWaalsContact C-N 3.32Å; A2361-K2363 PolarHBondContact O-N 3Å; A2361-L2364 PolarHBondContact O-N 3.37Å; A2361-L2365 VanDerWaalsContact O-CB 3.31Å; A2361-L2365 WeakPolarHBondContact O-CB 3.38Å; A2361-L2365 VanDerWaalsContact O-CG 3.24Å; A2361-L2365 WeakPolarHBondContact O-CG 3.33Å; A2361-L2365 PolarHBondContact O-N 2.76Å
2362E49.3Very low44.6Very low103 Ų103111.4 Ų111.448%0.48159%0.585SS.*Hα-helixtrans-56-42.8174.7-91-143.3121.100112.8E2358 K2366E2358-E2362 PolarHBondContact O-N 2.98Å; E2362-K2366 VanDerWaalsContact O-CB 3.27Å; E2362-K2366 WeakPolarHBondContact O-CB 3.39Å; E2362-K2366 WeakPolarHBondContact O-CD 3.32Å; E2362-K2366 VanDerWaalsContact O-CG 3.23Å; E2362-K2366 WeakPolarHBondContact O-CG 3.42Å; E2362-K2366 PolarHBondContact O-N 3.16Å; E2362-K2366 WeakPolarHBondContact OE1-CE 3.28Å; E2362-K2366 IonicContact OE1-NZ 3.61Å; E2362-K2366 PolarHBondContact OE1-NZ 3.44Å; E2362-K2366 IonicContact OE2-NZ 2.64Å; E2362-K2366 PolarHBondContact OE2-NZ 3.02Å; E2362-K2366 VanDerWaalsContact OE2-NZ 3.08Å
2363K54.7Low45.3Very low162 Ų162111.3 Ų111.370%0.70457%0.573SS**Hα-helixtrans-69.8-37.5-178.9-85-172.3170.1-171.40112.7R2359 L2360 A2361R2359-K2363 WeakPolarHBondContact O-CB 3.48Å; R2359-K2363 WeakPolarHBondContact O-CG 3.47Å; R2359-K2363 PolarHBondContact O-N 2.82Å; R2359-K2363 VanDerWaalsContact O-N 3.17Å; L2360-K2363 PolarHBondContact O-N 3.48Å; A2361-K2363 VanDerWaalsContact C-N 3.32Å; A2361-K2363 PolarHBondContact O-N 3Å
2364L46.7Very low46.5Very low110 Ų110109.4 Ų109.458%0.57656%0.563SS**Hα-helixtrans-69.8-46.4174.6-70.9167.7000110.7L2360 A2361 K2366 S2367L2360-L2364 WeakPolarHBondContact O-CG 3.45Å; L2360-L2364 PolarHBondContact O-N 2.88Å; A2361-L2364 PolarHBondContact O-N 3.37Å; L2364-K2366 VanDerWaalsContact C-N 3.32Å; L2364-K2366 PolarHBondContact O-N 3.46Å; L2364-S2367 WeakPolarHBondContact O-CB 3.36Å; L2364-S2367 PolarHBondContact O-N 3.12Å; L2364-S2367 PolarHBondContact O-OG 3.41Å
2365L43.8Very low47.5Very low102 Ų102109.8 Ų109.853%0.53456%0.555SS.*Hα-helixtrans-61.6-36.7177.6-70.8167.3000112.6A2361 S2367 I2368A2361-L2365 VanDerWaalsContact O-CB 3.31Å; A2361-L2365 WeakPolarHBondContact O-CB 3.38Å; A2361-L2365 VanDerWaalsContact O-CG 3.24Å; A2361-L2365 WeakPolarHBondContact O-CG 3.33Å; A2361-L2365 PolarHBondContact O-N 2.76Å; L2365-S2367 PolarHBondContact O-N 3.42Å; L2365-I2368 PolarHBondContact O-N 3.19Å
2366K52.7Low48.1Very low149 Ų149111.4 Ų111.465%0.64856%0.559SS**THydrogen-bonded Turntrans-71.8-4.9174.5-74.3168.1-173.4165.60114.5E2362 L2364E2362-K2366 VanDerWaalsContact O-CB 3.27Å; E2362-K2366 WeakPolarHBondContact O-CB 3.39Å; E2362-K2366 WeakPolarHBondContact O-CD 3.32Å; E2362-K2366 VanDerWaalsContact O-CG 3.23Å; E2362-K2366 WeakPolarHBondContact O-CG 3.42Å; E2362-K2366 PolarHBondContact O-N 3.16Å; E2362-K2366 WeakPolarHBondContact OE1-CE 3.28Å; E2362-K2366 IonicContact OE1-NZ 3.61Å; E2362-K2366 PolarHBondContact OE1-NZ 3.44Å; E2362-K2366 IonicContact OE2-NZ 2.64Å; E2362-K2366 PolarHBondContact OE2-NZ 3.02Å; E2362-K2366 VanDerWaalsContact OE2-NZ 3.08Å; L2364-K2366 VanDerWaalsContact C-N 3.32Å; L2364-K2366 PolarHBondContact O-N 3.46Å
2367S46.2Very low49.3Very low88 Ų88108 Ų10862%0.61554%0.543SS*.THydrogen-bonded Turntrans-96.5-10.917473.90000114L2364 L2365L2364-S2367 WeakPolarHBondContact O-CB 3.36Å; L2364-S2367 PolarHBondContact O-N 3.12Å; L2364-S2367 PolarHBondContact O-OG 3.41Å; L2365-S2367 PolarHBondContact O-N 3.42Å
2368I40.6Very low50.4Low74 Ų74102.2 Ų102.238%0.37953%0.525SS..SBendtrans-98.4127.4-179.2-64.8164.4000108.7L2365 A2372L2365-I2368 PolarHBondContact O-N 3.19Å; I2368-A2372 HydrophobicContact CG2-CB 3.8Å
2369P46.3Very low51Low82 Ų82102 Ų10253%0.53252%0.522SS..  trans-58144.1177.1-2635.3000112.6D2371 A2372 H2373P2369-D2371 PolarHBondContact O-N 3.43Å; P2369-D2371 VanDerWaalsContact O-N 3.16Å; P2369-A2372 WeakPolarHBondContact O-CB 3.22Å; P2369-A2372 PolarHBondContact O-N 3.36Å; P2369-H2373 PolarHBondContact O-N 3.18Å
2370P49.2Very low51Low93 Ų9398.7 Ų98.760%0.60452%0.515SS*.Hα-helixtrans-60.3-31.4-172.423.1-33.8000113.7A2372 H2373 I2374P2370-A2372 VanDerWaalsContact C-N 3.3Å; P2370-A2372 PolarHBondContact O-N 3.21Å; P2370-H2373 WeakPolarHBondContact O-CA 3.49Å; P2370-H2373 WeakPolarHBondContact O-CB 3.3Å; P2370-H2373 PolarHBondContact O-N 3.05Å; P2370-I2374 PolarHBondContact O-N 3.47Å
2371D55.1Low51.2Low112 Ų112101 Ų10160%0.59952%0.521SS*.Hα-helixtrans-63.6-36.5177.5-51.3-45.3000111.9P2369 H2373 I2374 Q2375P2369-D2371 PolarHBondContact O-N 3.43Å; P2369-D2371 VanDerWaalsContact O-N 3.16Å; D2371-H2373 VanDerWaalsContact C-N 3.33Å; D2371-I2374 PolarHBondContact O-N 3.2Å; D2371-Q2375 WeakPolarHBondContact O-CG 3.45Å; D2371-Q2375 PolarHBondContact O-N 3.04Å
2372A52.4Low51.9Low34 Ų34104.1 Ų104.128%0.28153%0.527SS..Hα-helixtrans-71.3-28.5173.800000111.9I2368 P2369 P2370 L2376I2368-A2372 HydrophobicContact CG2-CB 3.8Å; P2369-A2372 WeakPolarHBondContact O-CB 3.22Å; P2369-A2372 PolarHBondContact O-N 3.36Å; P2370-A2372 VanDerWaalsContact C-N 3.3Å; P2370-A2372 PolarHBondContact O-N 3.21Å; A2372-L2376 WeakPolarHBondContact O-CB 3.39Å; A2372-L2376 PolarHBondContact O-N 3.02Å
2373H41.6Very low51.5Low101 Ų101105 Ų10547%0.46853%0.531SS..Hα-helixtrans-68.5-39.6171.7-171.82.9000111.6P2369 P2370 D2371 L2376 V2377P2369-H2373 PolarHBondContact O-N 3.18Å; P2370-H2373 WeakPolarHBondContact O-CA 3.49Å; P2370-H2373 WeakPolarHBondContact O-CB 3.3Å; P2370-H2373 PolarHBondContact O-N 3.05Å; D2371-H2373 VanDerWaalsContact C-N 3.33Å; H2373-L2376 PolarHBondContact O-N 3.32Å; H2373-V2377 WeakPolarHBondContact O-CG2 3.34Å; H2373-V2377 PolarHBondContact O-N 2.99Å
2374I59.5Low50.9Low99 Ų99104 Ų10451%0.50853%0.527SS..Hα-helixtrans-61.7-46.7173.8-65170000110.1P2370 D2371 L2376 V2377 Q2378P2370-I2374 PolarHBondContact O-N 3.47Å; D2371-I2374 PolarHBondContact O-N 3.2Å; I2374-L2376 PolarHBondContact O-N 2.96Å; I2374-V2377 PolarHBondContact O-N 2.99Å; I2374-Q2378 PolarHBondContact O-N 2.71Å
2375Q59.7Low50.8Low126 Ų126102.1 Ų102.159%0.58953%0.528SS*.Hα-helixtrans-61.4-42.5175.8-71.7-179.7-4.600112.6D2371 V2377 Q2378 F2379D2371-Q2375 WeakPolarHBondContact O-CG 3.45Å; D2371-Q2375 PolarHBondContact O-N 3.04Å; Q2375-V2377 VanDerWaalsContact C-N 3.32Å; Q2375-V2377 PolarHBondContact O-N 3.42Å; Q2375-Q2378 PolarHBondContact O-N 2.74Å; Q2375-F2379 PolarHBondContact O-N 3.42Å
2376L53.3Low50.4Low92 Ų92106 Ų10648%0.48254%0.54SS..Hα-helixtrans-63.2-35.9175.2-109.3160.6000112.8A2372 H2373 I2374 Q2380A2372-L2376 WeakPolarHBondContact O-CB 3.39Å; A2372-L2376 PolarHBondContact O-N 3.02Å; H2373-L2376 PolarHBondContact O-N 3.32Å; I2374-L2376 PolarHBondContact O-N 2.96Å; L2376-Q2380 WeakPolarHBondContact O-CB 3.36Å; L2376-Q2380 WeakPolarHBondContact O-CG 3.45Å; L2376-Q2380 PolarHBondContact O-N 3.06Å
2377V64.6Low49.7Very low55 Ų55105 Ų10533%0.33354%0.542SS..Hα-helixtrans-75.3-29.6176170.10000111.9H2373 I2374 Q2375 K2381H2373-V2377 WeakPolarHBondContact O-CG2 3.34Å; H2373-V2377 PolarHBondContact O-N 2.99Å; I2374-V2377 PolarHBondContact O-N 2.99Å; Q2375-V2377 VanDerWaalsContact C-N 3.32Å; Q2375-V2377 PolarHBondContact O-N 3.42Å; V2377-K2381 HydrophobicContact CG1-CD 4.49Å; V2377-K2381 WeakPolarHBondContact O-CB 3.41Å; V2377-K2381 VanDerWaalsContact O-CG 3.27Å; V2377-K2381 WeakPolarHBondContact O-CG 3.35Å; V2377-K2381 PolarHBondContact O-N 3.13Å; V2377-K2381 VanDerWaalsContact O-N 3.12Å
2378Q60.4Low49Very low102 Ų102109.8 Ų109.848%0.47756%0.561SS.*Hα-helixtrans-69.1-50.2168.7-76.8-174.9-103.600111.1I2374 Q2375 Q2380 K2381 E2382I2374-Q2378 PolarHBondContact O-N 2.71Å; Q2375-Q2378 PolarHBondContact O-N 2.74Å; Q2378-Q2380 VanDerWaalsContact C-N 3.34Å; Q2378-Q2380 PolarHBondContact O-N 2.92Å; Q2378-K2381 CarbonylContact O-C 3.55Å; Q2378-K2381 WeakPolarHBondContact O-CA 3.34Å; Q2378-K2381 WeakPolarHBondContact O-CB 3.46Å; Q2378-K2381 PolarHBondContact O-N 3.13Å; Q2378-E2382 WeakPolarHBondContact O-CG 3.37Å; Q2378-E2382 PolarHBondContact O-N 3.25Å
2379F55.3Low49.4Very low139 Ų139111.6 Ų111.661%0.6157%0.57SS**Hα-helixtrans-56.8-43.7174.9-94.8-75.5000112.3Q2375 K2381 E2382 E2383Q2375-F2379 PolarHBondContact O-N 3.42Å; F2379-K2381 VanDerWaalsContact C-N 3.26Å; F2379-K2381 PolarHBondContact O-N 3.47Å; F2379-E2382 PolarHBondContact O-N 3.43Å; F2379-E2383 WeakPolarHBondContact O-CB 3.34Å; F2379-E2383 PolarHBondContact O-N 3.39Å
2380Q48.9Very low49.5Very low108 Ų108113.2 Ų113.251%0.50557%0.572SS.*Hα-helixtrans-68.8-20174.9-77.4-170.9-14.100114.3L2376 Q2378 K2384L2376-Q2380 WeakPolarHBondContact O-CB 3.36Å; L2376-Q2380 WeakPolarHBondContact O-CG 3.45Å; L2376-Q2380 PolarHBondContact O-N 3.06Å; Q2378-Q2380 VanDerWaalsContact C-N 3.34Å; Q2378-Q2380 PolarHBondContact O-N 2.92Å; Q2380-K2384 VanDerWaalsContact O-CB 3.28Å; Q2380-K2384 WeakPolarHBondContact O-CB 3.18Å; Q2380-K2384 VanDerWaalsContact O-CG 3.24Å; Q2380-K2384 WeakPolarHBondContact O-CG 3.25Å; Q2380-K2384 PolarHBondContact O-N 3.04Å
2381K49.8Very low49.5Very low145 Ų145114.3 Ų114.363%0.6357%0.57SS**Hα-helixtrans-82.6-40.6171.4-81.4178175.9-173.90111.8V2377 Q2378 F2379 K2384 A2385V2377-K2381 HydrophobicContact CG1-CD 4.49Å; V2377-K2381 WeakPolarHBondContact O-CB 3.41Å; V2377-K2381 VanDerWaalsContact O-CG 3.27Å; V2377-K2381 WeakPolarHBondContact O-CG 3.35Å; V2377-K2381 PolarHBondContact O-N 3.13Å; V2377-K2381 VanDerWaalsContact O-N 3.12Å; Q2378-K2381 CarbonylContact O-C 3.55Å; Q2378-K2381 WeakPolarHBondContact O-CA 3.34Å; Q2378-K2381 WeakPolarHBondContact O-CB 3.46Å; Q2378-K2381 PolarHBondContact O-N 3.13Å; F2379-K2381 VanDerWaalsContact C-N 3.26Å; F2379-K2381 PolarHBondContact O-N 3.47Å; K2381-K2384 PolarHBondContact O-N 3.01Å; K2381-A2385 VanDerWaalsContact O-CB 3.26Å; K2381-A2385 WeakPolarHBondContact O-CB 3.27Å; K2381-A2385 PolarHBondContact O-N 3.24Å
2382E58.8Low49.2Very low111 Ų111114.4 Ų114.452%0.51957%0.569SS.*Hα-helixtrans-67.1-44.8176-71.7166.4-15900110.6Q2378 F2379 K2384 A2385 F2386Q2378-E2382 WeakPolarHBondContact O-CG 3.37Å; Q2378-E2382 PolarHBondContact O-N 3.25Å; F2379-E2382 PolarHBondContact O-N 3.43Å; E2382-K2384 VanDerWaalsContact C-N 3.35Å; E2382-K2384 PolarHBondContact O-N 3.42Å; E2382-A2385 CarbonylContact O-C 3.57Å; E2382-A2385 WeakPolarHBondContact O-CA 3.47Å; E2382-A2385 PolarHBondContact O-N 2.86Å; E2382-A2385 VanDerWaalsContact O-N 3.08Å; E2382-F2386 WeakPolarHBondContact O-CB 3.46Å; E2382-F2386 PolarHBondContact O-N 3.34Å
2383E41.8Very low49Very low120 Ų120119.4 Ų119.456%0.56159%0.587SS**Hα-helixtrans-62.9-37.5173.3-174.5175.7-129.800112F2379 F2386 N2387F2379-E2383 WeakPolarHBondContact O-CB 3.34Å; F2379-E2383 PolarHBondContact O-N 3.39Å; E2383-F2386 PolarHBondContact O-N 3.46Å; E2383-N2387 WeakPolarHBondContact O-CB 3.29Å; E2383-N2387 PolarHBondContact O-N 3.47Å; E2383-N2387 PolarHBondContact O-ND2 2.92Å
2384K41.9Very low49.5Very low141 Ų141120.7 Ų120.761%0.61360%0.595SS**Hα-helixtrans-73.9-23.6171.4-78.5-176.7175-172.80114Q2380 K2381 E2382 F2386 N2388Q2380-K2384 VanDerWaalsContact O-CB 3.28Å; Q2380-K2384 WeakPolarHBondContact O-CB 3.18Å; Q2380-K2384 VanDerWaalsContact O-CG 3.24Å; Q2380-K2384 WeakPolarHBondContact O-CG 3.25Å; Q2380-K2384 PolarHBondContact O-N 3.04Å; K2381-K2384 PolarHBondContact O-N 3.01Å; E2382-K2384 VanDerWaalsContact C-N 3.35Å; E2382-K2384 PolarHBondContact O-N 3.42Å; K2384-F2386 VanDerWaalsContact C-N 3.27Å; K2384-N2388 WeakPolarHBondContact O-CB 3.34Å; K2384-N2388 PolarHBondContact O-N 3.09Å; K2384-N2388 VanDerWaalsContact O-N 3.15Å; K2384-N2388 PolarHBondContact O-ND2 3.42Å
2385A45.1Very low48.8Very low72 Ų72122.2 Ų122.260%0.59560%0.601SS**Hα-helixtrans-87.94.8171.500000113.1K2381 E2382K2381-A2385 VanDerWaalsContact O-CB 3.26Å; K2381-A2385 WeakPolarHBondContact O-CB 3.27Å; K2381-A2385 PolarHBondContact O-N 3.24Å; E2382-A2385 CarbonylContact O-C 3.57Å; E2382-A2385 WeakPolarHBondContact O-CA 3.47Å; E2382-A2385 PolarHBondContact O-N 2.86Å; E2382-A2385 VanDerWaalsContact O-N 3.08Å
2386F34.8Very low48Very low183 Ų183121.9 Ų121.980%0.80360%0.602SS**Hα-helixtrans-115-21.2172.3-155.7-83.5000112E2382 E2383 K2384E2382-F2386 WeakPolarHBondContact O-CB 3.46Å; E2382-F2386 PolarHBondContact O-N 3.34Å; E2383-F2386 PolarHBondContact O-N 3.46Å; K2384-F2386 VanDerWaalsContact C-N 3.27Å
2387N38.1Very low47.5Very low128 Ų128124.4 Ų124.468%0.68461%0.612SS**Hα-helixtrans-96.2-13.4171.6-73.2-74.9000113.7E2383E2383-N2387 WeakPolarHBondContact O-CB 3.29Å; E2383-N2387 PolarHBondContact O-N 3.47Å; E2383-N2387 PolarHBondContact O-ND2 2.92Å
2388N30.8Very low46Very low189 Ų189130.7 Ų130.7100%1.01164%0.637SS**  trans-98.70165.3-66.6-10000109.3K2384K2384-N2388 WeakPolarHBondContact O-CB 3.34Å; K2384-N2388 PolarHBondContact O-N 3.09Å; K2384-N2388 VanDerWaalsContact O-N 3.15Å; K2384-N2388 PolarHBondContact O-ND2 3.42Å

Retrieved 2,388 of 2,388 residues in 1860.9 ms (Link to these results)

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