A0A087WP11_MOUSE Loading...

Histone H2A

AlphaFold DB , UniProt , Accession A0A087WP11, Species MOUSE (Mus musculus, Mouse), Gene H2al1b, Length 105 aa.

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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
1M53.1Low58.2Low248 Ų248205.2 Ų205.2100%1.22291%0.913SS**  0127.20-75.2-172.2167.700109.1
2A57.2Low58.4Low105 Ų105204.8 Ų204.887%0.86891%0.909SS**  trans-72.3127.2-170.500000112.5K4A2-K4 PolarHBondContact O-N 2.93Å; A2-K4 VanDerWaalsContact O-N 3.17Å
3K56.3Low58.2Low209 Ų209203.2 Ų203.291%0.90989%0.893SS**  trans-72.7105179.9-156.1172.3-174.5177.40108.9M5K3-M5 PolarHBondContact O-N 3.31Å
4K53.9Low58Low200 Ų200193.9 Ų193.987%0.8786%0.861SS**  trans-63.9100.4-178.4-162.9175-173.9177.80109.9A2 Q6A2-K4 PolarHBondContact O-N 2.93Å; A2-K4 VanDerWaalsContact O-N 3.17Å; K4-Q6 PolarHBondContact O-N 3.04Å
5M56.8Low57.7Low180 Ų180191.9 Ų191.989%0.88785%0.845SS**  trans-6898.8179-168.8167.3151.800109.4K3 R7K3-M5 PolarHBondContact O-N 3.31Å; M5-R7 PolarHBondContact O-N 3.28Å
6Q62.6Low57.4Low179 Ų179183.4 Ų183.484%0.83682%0.817SS**  trans-63.3108.9177.6-72.4179.1-19.700109.1K4 R8K4-Q6 PolarHBondContact O-N 3.04Å; Q6-R8 PolarHBondContact O-N 3.32Å
7R58.1Low57.2Low240 Ų240180.1 Ų180.191%0.90680%0.804SS**  trans-56112.2166.8-71.9-178.9172.3174.9-2.8107M5 R9M5-R7 PolarHBondContact O-N 3.28Å; R7-R9 PolarHBondContact O-N 2.9Å
8R58.1Low57.2Low240 Ų240181.3 Ų181.391%0.90680%0.801SS**  trans-51110.3171.9-71.8-176.5173.7-178.5-2106.5Q6 R10Q6-R8 PolarHBondContact O-N 3.32Å; R8-R10 PolarHBondContact O-N 3.43Å
9R62.3Low57.4Low239 Ų239173 Ų17390%0.90277%0.772SS**  trans-53114.1169.1-85.6179163166.1-4.7104.6R7 Q11R7-R9 PolarHBondContact O-N 2.9Å; R9-Q11 VanDerWaalsContact C-N 3.33Å; R9-Q11 PolarHBondContact O-N 3.25Å
10R60.5Low58.2Low237 Ų237173.3 Ų173.389%0.89478%0.775SS**  trans-51.2109.4169.3-74.2-179.5175.4172.7-2.3104.3R8 K12R8-R10 PolarHBondContact O-N 3.43Å; R10-K12 PolarHBondContact O-N 2.91Å
11Q61.5Low59Low180 Ų180168 Ų16884%0.84175%0.753SS**  trans-49.5114.3175.5-112.9163.8-34.800104.2R9 R13R9-Q11 VanDerWaalsContact C-N 3.33Å; R9-Q11 PolarHBondContact O-N 3.25Å; Q11-R13 PolarHBondContact O-N 2.93Å
12K59.9Low60.2Low200 Ų200158.7 Ų158.787%0.8771%0.712SS**  trans-63.392.7175.2-82.8-176.2177.2-177.20104R10 T14R10-K12 PolarHBondContact O-N 2.91Å; K12-T14 PolarHBondContact O-N 3.47Å
13R56.3Low61.3Low185 Ų185154.6 Ų154.670%0.69868%0.675SS**  trans-51117.4169.5-75.1-173.1174.3-176.1-2.5104.9Q11Q11-R13 PolarHBondContact O-N 2.93Å
14T55.8Low62.5Low73 Ų73148.7 Ų148.745%0.44866%0.66SS.*  trans-60.8149.6-179.451.90000107.2K12 S16 Q17K12-T14 PolarHBondContact O-N 3.47Å; T14-S16 PolarHBondContact O-N 3.43Å; T14-S16 PolarHBondContact OG1-OG 3.34Å; T14-Q17 WeakPolarHBondContact O-CB 3.44Å; T14-Q17 PolarHBondContact O-N 3Å
15R53.4Low63.9Low163 Ų163142.4 Ų142.462%0.61564%0.635SS**G310 helixtrans-53-30.5178.1-97178.5173160.7-4.7112.3Q17 R18 L23 S41R15-Q17 VanDerWaalsContact C-N 3.28Å; R15-Q17 PolarHBondContact O-N 3.43Å; R15-R18 PolarHBondContact O-N 3.25Å; R15-L23 HydrophobicContact CB-CD1 3.91Å; R15-L23 HydrophobicContact CG-CD1 4.44Å; R15-S41 WeakPolarHBondContact CD-OG 3.49Å; R15-S41 PolarHBondContact NE-OG 3.02Å; R15-S41 PolarHBondContact NH1-OG 3.01Å
16S52.8Low65.2Low57 Ų57134.7 Ų134.740%0.39960%0.598SS.*G310 helixtrans-65.6-20.3173.6560000115.3T14 G19T14-S16 PolarHBondContact O-N 3.43Å; T14-S16 PolarHBondContact OG1-OG 3.34Å; S16-G19 VanDerWaalsContact O-O 3.1Å
17Q53Low66.2Low127 Ų127127.8 Ų127.859%0.59357%0.567SS**G310 helixtrans-88.4-1.5178.6-78.7-177.3-28.600113.6T14 R15T14-Q17 WeakPolarHBondContact O-CB 3.44Å; T14-Q17 PolarHBondContact O-N 3Å; R15-Q17 VanDerWaalsContact C-N 3.28Å; R15-Q17 PolarHBondContact O-N 3.43Å
18R58.5Low67.4Low202 Ų202122.4 Ų122.476%0.76255%0.547SS*.SBendtrans-86.2-11.5-177.4-68.4-171.8178.8-173-3.1113.7R15R15-R18 PolarHBondContact O-N 3.25Å
19G60.8Low68.7Low23 Ų23115.5 Ų115.524%0.23752%0.524CS..SBendtrans-144.9164168.500000108.9S16 L21 E52S16-G19 VanDerWaalsContact O-O 3.1Å; G19-L21 VanDerWaalsContact C-N 3.27Å; G19-E52 WeakPolarHBondContact CA-OE2 3.26Å
20E72.4Confident69.7Low179 Ų179105.5 Ų105.584%0.83649%0.488SS*.SBendtrans-71.8-28.4177.5-62.6-166.1163.900111.5P22 E52E20-P22 WeakPolarHBondContact O-CD 3.47Å; E20-E52 PolarHBondContact N-OE1 3.35Å
21L76.4Confident70.8Confident62 Ų6298.7 Ų98.733%0.32546%0.462SS..SBendtrans-78118.2174.4-68.5-177.1000110.9G19 L23 T48 L51 E52G19-L21 VanDerWaalsContact C-N 3.27Å; L21-L23 PolarHBondContact O-N 2.97Å; L21-T48 HydrophobicContact CB-CG2 3.45Å; L21-T48 VanDerWaalsContact CB-CG2 3.45Å; L21-T48 HydrophobicContact CD1-CG2 4.27Å; L21-T48 HydrophobicContact CG-CG2 4.49Å; L21-L51 HydrophobicContact CD1-CB 4.19Å; L21-E52 HydrophobicContact CD1-CB 3.93Å; L21-E52 HydrophobicContact CG-CB 4.4Å
22P78.2Confident71.8Confident53 Ų5394.9 Ų94.934%0.34444%0.444SS..  trans-65.8119.7177.9-19.532.3000110.7E20 S24 L25E20-P22 WeakPolarHBondContact O-CD 3.47Å; P22-S24 PolarHBondContact O-N 3.39Å; P22-L25 HydrophobicContact CB-CB 4.29Å; P22-L25 VanDerWaalsContact O-CB 3.31Å; P22-L25 WeakPolarHBondContact O-CB 3.34Å; P22-L25 PolarHBondContact O-N 3.21Å
23L79.7Confident72.9Confident19 Ų1992.1 Ų92.110%0.09944%0.435CS..Hα-helixtrans-51.8-34.9174.5-61.6-172.8000112.4R15 L21 L25 V26 D27 L44 T48R15-L23 HydrophobicContact CB-CD1 3.91Å; R15-L23 HydrophobicContact CG-CD1 4.44Å; L21-L23 PolarHBondContact O-N 2.97Å; L23-L25 VanDerWaalsContact C-N 3.26Å; L23-L25 PolarHBondContact O-N 3.47Å; L23-V26 PolarHBondContact O-N 3.44Å; L23-D27 PolarHBondContact O-N 3.01Å; L23-L44 HydrophobicContact CB-CD2 3.8Å; L23-L44 HydrophobicContact CB-CG 4.15Å; L23-L44 HydrophobicContact CD2-CG 4.34Å; L23-L44 WeakPolarHBondContact O-CD2 3.23Å; L23-T48 HydrophobicContact CD2-CG2 3.88Å; L23-T48 VanDerWaalsContact CD2-OG1 3.26Å; L23-T48 WeakPolarHBondContact CD2-OG1 3.26Å
24S81.6Confident74Confident84 Ų8490.6 Ų90.659%0.58743%0.433SS*.Hα-helixtrans-63.1-31178.953.90000113.3P22 R28P22-S24 PolarHBondContact O-N 3.39Å; S24-R28 WeakPolarHBondContact O-CB 3.33Å; S24-R28 PolarHBondContact O-N 3Å; S24-R28 VanDerWaalsContact O-N 3.13Å
25L82.5Confident74.9Confident68 Ų6894.9 Ų94.936%0.35645%0.448SS..Hα-helixtrans-69-48.3177.1-176.367.1000109.7P22 L23 R28 F29P22-L25 HydrophobicContact CB-CB 4.29Å; P22-L25 VanDerWaalsContact O-CB 3.31Å; P22-L25 WeakPolarHBondContact O-CB 3.34Å; P22-L25 PolarHBondContact O-N 3.21Å; L23-L25 VanDerWaalsContact C-N 3.26Å; L23-L25 PolarHBondContact O-N 3.47Å; L25-R28 PolarHBondContact O-N 2.95Å; L25-F29 HydrophobicContact CD1-CD2 4.07Å; L25-F29 HydrophobicContact CD1-CE2 3.43Å; L25-F29 VanDerWaalsContact CD1-CE2 3.43Å; L25-F29 HydrophobicContact CD1-CZ 4.18Å; L25-F29 HydrophobicContact CD2-CE2 4.2Å; L25-F29 HydrophobicContact CG-CD2 3.9Å; L25-F29 HydrophobicContact CG-CE2 3.55Å; L25-F29 WeakPolarHBondContact O-CD2 3.37Å; L25-F29 PolarHBondContact O-N 2.91Å; L25-F29 VanDerWaalsContact O-N 3.08Å
26V84.2Confident75.8Confident18 Ų1888.6 Ų88.611%0.10943%0.429CS..Hα-helixtrans-64.7-42.4178.8-177.90000111L23 R28 F29 L30 L44 T48L23-V26 PolarHBondContact O-N 3.44Å; V26-R28 VanDerWaalsContact C-N 3.31Å; V26-R28 PolarHBondContact O-N 3.27Å; V26-F29 PolarHBondContact O-N 3.02Å; V26-L30 HydrophobicContact CG1-CD1 3.8Å; V26-L30 HydrophobicContact CG1-CG 4.29Å; V26-L30 WeakPolarHBondContact O-CB 3.18Å; V26-L30 VanDerWaalsContact O-CG 3.23Å; V26-L30 WeakPolarHBondContact O-CG 3.23Å; V26-L30 PolarHBondContact O-N 3.43Å; V26-L44 HydrophobicContact CB-CD1 3.78Å; V26-L44 HydrophobicContact CG1-CD1 3.63Å; V26-T48 HydrophobicContact CG2-CG2 4.42Å
27D83.5Confident76.4Confident34 Ų3491.3 Ų91.318%0.18245%0.448CS..Hα-helixtrans-62.3-39.2177.1-166.459000111.8L23 L30 R31 L44L23-D27 PolarHBondContact O-N 3.01Å; D27-L30 PolarHBondContact O-N 2.95Å; D27-R31 VanDerWaalsContact O-CG 3.26Å; D27-R31 WeakPolarHBondContact O-CG 3.48Å; D27-R31 PolarHBondContact O-N 3.11Å; D27-R31 VanDerWaalsContact O-N 3.13Å; D27-R31 IonicContact OD1-CZ 3.92Å; D27-R31 IonicContact OD1-NE 3.68Å; D27-R31 IonicContact OD1-NH2 3.43Å; D27-R31 PolarHBondContact OD1-NH2 3.13Å; D27-R31 IonicContact OD2-CZ 3.37Å; D27-R31 IonicContact OD2-NE 2.79Å; D27-R31 PolarHBondContact OD2-NE 2.79Å; D27-R31 IonicContact OD2-NH2 3.02Å; D27-R31 PolarHBondContact OD2-NH2 3.31Å; D27-L44 HydrophobicContact CB-CD1 4.03Å; D27-L44 HydrophobicContact CB-CD2 3.67Å
28R84.4Confident77.4Confident127 Ų12795.1 Ų95.148%0.47946%0.457SS..Hα-helixtrans-63.3-50.7177.6-168.6-173.175.5-162.9-1.7110.8S24 L25 V26 L30 R31 E32S24-R28 WeakPolarHBondContact O-CB 3.33Å; S24-R28 PolarHBondContact O-N 3Å; S24-R28 VanDerWaalsContact O-N 3.13Å; L25-R28 PolarHBondContact O-N 2.95Å; V26-R28 VanDerWaalsContact C-N 3.31Å; V26-R28 PolarHBondContact O-N 3.27Å; R28-L30 VanDerWaalsContact C-N 3.3Å; R28-L30 PolarHBondContact O-N 3.36Å; R28-R31 PolarHBondContact O-N 3.36Å; R28-R31 VanDerWaalsContact O-N 3.1Å; R28-E32 WeakPolarHBondContact CD-OE1 3.45Å; R28-E32 HydrophobicContact CG-CG 4.45Å; R28-E32 VanDerWaalsContact CG-OE1 3.29Å; R28-E32 WeakPolarHBondContact CG-OE1 3.32Å; R28-E32 IonicContact NE-OE1 3.67Å; R28-E32 IonicContact NE-OE2 3.42Å; R28-E32 WeakPolarHBondContact O-CG 3.43Å; R28-E32 PolarHBondContact O-N 2.89Å
29F84.4Confident78.4Confident95 Ų9588.3 Ų88.342%0.41744%0.435SS..Hα-helixtrans-60-39.5177.6-75.9-60.8000112.3L25 V26 R31 E32 E33L25-F29 HydrophobicContact CD1-CD2 4.07Å; L25-F29 HydrophobicContact CD1-CE2 3.43Å; L25-F29 VanDerWaalsContact CD1-CE2 3.43Å; L25-F29 HydrophobicContact CD1-CZ 4.18Å; L25-F29 HydrophobicContact CD2-CE2 4.2Å; L25-F29 HydrophobicContact CG-CD2 3.9Å; L25-F29 HydrophobicContact CG-CE2 3.55Å; L25-F29 WeakPolarHBondContact O-CD2 3.37Å; L25-F29 PolarHBondContact O-N 2.91Å; L25-F29 VanDerWaalsContact O-N 3.08Å; V26-F29 PolarHBondContact O-N 3.02Å; F29-R31 VanDerWaalsContact C-N 3.25Å; F29-R31 PolarHBondContact O-N 3.39Å; F29-E32 PolarHBondContact O-N 3.32Å; F29-E33 WeakPolarHBondContact O-CB 3.46Å; F29-E33 PolarHBondContact O-N 2.99Å
30L83.6Confident79.5Confident30 Ų3090.7 Ų90.716%0.15745%0.448CS..Hα-helixtrans-68.8-21.8178.2-68.1173.6000113.8V26 D27 R28 F34 S36 L39 L44 L47V26-L30 HydrophobicContact CG1-CD1 3.8Å; V26-L30 HydrophobicContact CG1-CG 4.29Å; V26-L30 WeakPolarHBondContact O-CB 3.18Å; V26-L30 VanDerWaalsContact O-CG 3.23Å; V26-L30 WeakPolarHBondContact O-CG 3.23Å; V26-L30 PolarHBondContact O-N 3.43Å; D27-L30 PolarHBondContact O-N 2.95Å; R28-L30 VanDerWaalsContact C-N 3.3Å; R28-L30 PolarHBondContact O-N 3.36Å; L30-F34 HydrophobicContact CD2-CD2 3.66Å; L30-F34 HydrophobicContact CD2-CE2 3.84Å; L30-F34 WeakPolarHBondContact O-CB 3.26Å; L30-F34 PolarHBondContact O-N 3.13Å; L30-S36 PolarHBondContact O-OG 3.46Å; L30-L39 HydrophobicContact CB-CD1 3.98Å; L30-L39 HydrophobicContact CD1-CD1 3.3Å; L30-L39 HydrophobicContact CG-CD1 4.2Å; L30-L44 HydrophobicContact CD1-CD1 4.18Å; L30-L47 HydrophobicContact CD1-CD1 3.69Å
31R83.2Confident79.9Confident93 Ų9383.3 Ų83.335%0.35142%0.417SS..Hα-helixtrans-85.1-36.6173.3-70.1171-172.7-68-6.6112.3D27 R28 F29 H35D27-R31 VanDerWaalsContact O-CG 3.26Å; D27-R31 WeakPolarHBondContact O-CG 3.48Å; D27-R31 PolarHBondContact O-N 3.11Å; D27-R31 VanDerWaalsContact O-N 3.13Å; D27-R31 IonicContact OD1-CZ 3.92Å; D27-R31 IonicContact OD1-NE 3.68Å; D27-R31 IonicContact OD1-NH2 3.43Å; D27-R31 PolarHBondContact OD1-NH2 3.13Å; D27-R31 IonicContact OD2-CZ 3.37Å; D27-R31 IonicContact OD2-NE 2.79Å; D27-R31 PolarHBondContact OD2-NE 2.79Å; D27-R31 IonicContact OD2-NH2 3.02Å; D27-R31 PolarHBondContact OD2-NH2 3.31Å; R28-R31 PolarHBondContact O-N 3.36Å; R28-R31 VanDerWaalsContact O-N 3.1Å; F29-R31 VanDerWaalsContact C-N 3.25Å; F29-R31 PolarHBondContact O-N 3.39Å; R31-H35 WeakPolarHBondContact O-CA 3.37Å; R31-H35 PolarHBondContact O-N 3.1Å
32E84.1Confident80.4Confident100 Ų10084.3 Ų84.347%0.46743%0.429SS..Hα-helixtrans-72-49.2179.6-72.1169.4176.400111R28 F29R28-E32 WeakPolarHBondContact CD-OE1 3.45Å; R28-E32 HydrophobicContact CG-CG 4.45Å; R28-E32 VanDerWaalsContact CG-OE1 3.29Å; R28-E32 WeakPolarHBondContact CG-OE1 3.32Å; R28-E32 IonicContact NE-OE1 3.67Å; R28-E32 IonicContact NE-OE2 3.42Å; R28-E32 WeakPolarHBondContact O-CG 3.43Å; R28-E32 PolarHBondContact O-N 2.89Å; F29-E32 PolarHBondContact O-N 3.32Å
33E83Confident80.9Confident142 Ų14283.6 Ų83.666%0.66443%0.427SS*.SBendtrans-84-41.3-174.2-64.6-63.6136.300113.6F29F29-E33 WeakPolarHBondContact O-CB 3.46Å; F29-E33 PolarHBondContact O-N 2.99Å
34F78.8Confident81.2Confident153 Ų15383.3 Ų83.367%0.67143%0.426SS*.SBendtrans-105.43-174.1-63-80.6000113.8L30 S36L30-F34 HydrophobicContact CD2-CD2 3.66Å; L30-F34 HydrophobicContact CD2-CE2 3.84Å; L30-F34 WeakPolarHBondContact O-CB 3.26Å; L30-F34 PolarHBondContact O-N 3.13Å; F34-S36 PolarHBondContact O-N 3.32Å
35H75.2Confident81.4Confident164 Ų16481.7 Ų81.776%0.75942%0.415SS*.  trans48.328.5-176.4-57.4-51.2000114.1R31R31-H35 WeakPolarHBondContact O-CA 3.37Å; R31-H35 PolarHBondContact O-N 3.1Å
36S71.1Confident81.7Confident31 Ų3185.2 Ų85.222%0.21743%0.427CS..  trans-73.2133.3-170.264.40000112.2L30 F34 R38L30-S36 PolarHBondContact O-OG 3.46Å; F34-S36 PolarHBondContact O-N 3.32Å; S36-R38 PolarHBondContact O-N 2.93Å
37S66.7Low81.9Confident113 Ų11387.6 Ų87.679%0.7944%0.439SS*.SBendtrans-81.435.1-167.562.40000115.4
38R72.6Confident82.1Confident207 Ų20786.1 Ų86.178%0.78143%0.431SS*.  trans98.4119.9-173.3-55.4155-176.5-168.41.4112.5S36S36-R38 PolarHBondContact O-N 2.93Å
39L79.5Confident82.4Confident59 Ų5983.2 Ų83.231%0.30943%0.43SS..  trans-91.2144.9167.4-63.9170.5000109.7L30 L47L30-L39 HydrophobicContact CB-CD1 3.98Å; L30-L39 HydrophobicContact CD1-CD1 3.3Å; L30-L39 HydrophobicContact CG-CD1 4.2Å; L39-L47 HydrophobicContact CD1-CD1 4.49Å
40S84.2Confident82.7Confident73 Ų7381.4 Ų81.451%0.5143%0.427SS..  trans-60.4143.5167.3174.50000108.7S42 A43 L44S40-S42 PolarHBondContact O-N 3.28Å; S40-S42 VanDerWaalsContact O-N 3.11Å; S40-S42 PolarHBondContact OG-N 3.15Å; S40-S42 PolarHBondContact OG-OG 2.93Å; S40-A43 WeakPolarHBondContact O-CB 3.48Å; S40-A43 PolarHBondContact O-N 3.23Å; S40-L44 PolarHBondContact O-N 2.89Å
41S81.8Confident83.1Confident25 Ų2583.9 Ų83.918%0.17544%0.44CS..Hα-helixtrans-61.9-21.5176.2-179.10000113.6R15 S45R15-S41 WeakPolarHBondContact CD-OG 3.49Å; R15-S41 PolarHBondContact NE-OG 3.02Å; R15-S41 PolarHBondContact NH1-OG 3.01Å; S41-S45 WeakPolarHBondContact O-CB 3.44Å; S41-S45 PolarHBondContact O-N 3.44Å
42S86.4Confident83.4Confident82 Ų8282 Ų8257%0.57344%0.435SS*.Hα-helixtrans-69.1-44.8171.353.40000111.5S40 S45 F46S40-S42 PolarHBondContact O-N 3.28Å; S40-S42 VanDerWaalsContact O-N 3.11Å; S40-S42 PolarHBondContact OG-N 3.15Å; S40-S42 PolarHBondContact OG-OG 2.93Å; S42-S45 PolarHBondContact O-N 3.43Å; S42-F46 PolarHBondContact O-N 3.47Å
43A87.9Confident83.9Confident39 Ų3984.6 Ų84.632%0.32244%0.442SS..Hα-helixtrans-62.1-45.6176.600000110.9S40 S45 F46 L47S40-A43 WeakPolarHBondContact O-CB 3.48Å; S40-A43 PolarHBondContact O-N 3.23Å; A43-S45 VanDerWaalsContact C-N 3.35Å; A43-S45 PolarHBondContact O-N 3.27Å; A43-F46 WeakPolarHBondContact O-CB 2.92Å; A43-F46 PolarHBondContact O-N 2.97Å; A43-L47 WeakPolarHBondContact O-CG 3.38Å; A43-L47 PolarHBondContact O-N 2.97Å
44L86Confident84.4Confident13 Ų1380.2 Ų80.27%0.06842%0.423CS..Hα-helixtrans-60.1-43.6175-177.663.8000112.2L23 V26 D27 L30 S40 F46 L47 T48L23-L44 HydrophobicContact CB-CD2 3.8Å; L23-L44 HydrophobicContact CB-CG 4.15Å; L23-L44 HydrophobicContact CD2-CG 4.34Å; L23-L44 WeakPolarHBondContact O-CD2 3.23Å; V26-L44 HydrophobicContact CB-CD1 3.78Å; V26-L44 HydrophobicContact CG1-CD1 3.63Å; D27-L44 HydrophobicContact CB-CD1 4.03Å; D27-L44 HydrophobicContact CB-CD2 3.67Å; L30-L44 HydrophobicContact CD1-CD1 4.18Å; S40-L44 PolarHBondContact O-N 2.89Å; L44-F46 VanDerWaalsContact C-N 3.33Å; L44-F46 PolarHBondContact O-N 2.91Å; L44-L47 PolarHBondContact O-N 3.31Å; L44-T48 WeakPolarHBondContact O-CB 3.12Å; L44-T48 PolarHBondContact O-N 3.48Å; L44-T48 PolarHBondContact O-OG1 2.98Å
45S85.8Confident85.1Confident50 Ų5076.3 Ų76.335%0.3541%0.411SS..Hα-helixtrans-62-41.6175.8-1720000112S41 S42 A43 T48 S49S41-S45 WeakPolarHBondContact O-CB 3.44Å; S41-S45 PolarHBondContact O-N 3.44Å; S42-S45 PolarHBondContact O-N 3.43Å; A43-S45 VanDerWaalsContact C-N 3.35Å; A43-S45 PolarHBondContact O-N 3.27Å; S45-T48 PolarHBondContact O-N 2.93Å; S45-S49 WeakPolarHBondContact O-CB 3.37Å; S45-S49 PolarHBondContact O-N 3.44Å; S45-S49 PolarHBondContact O-OG 3.27Å
46F89.2Confident86Confident142 Ų14271.8 Ų71.862%0.62340%0.398SS*.Hα-helixtrans-61.1-49.8177.3178.7-99.3000110.9S42 A43 L44 T48 S49 V50S42-F46 PolarHBondContact O-N 3.47Å; A43-F46 WeakPolarHBondContact O-CB 2.92Å; A43-F46 PolarHBondContact O-N 2.97Å; L44-F46 VanDerWaalsContact C-N 3.33Å; L44-F46 PolarHBondContact O-N 2.91Å; F46-T48 PolarHBondContact O-N 3.29Å; F46-S49 PolarHBondContact O-N 3.02Å; F46-V50 HydrophobicContact CD1-CG2 4.46Å; F46-V50 HydrophobicContact CE1-CG2 4.09Å; F46-V50 HydrophobicContact CE2-CG2 4.35Å; F46-V50 HydrophobicContact CZ-CG2 4.04Å; F46-V50 WeakPolarHBondContact O-CG2 3.31Å; F46-V50 PolarHBondContact O-N 2.89Å
47L88.6Confident87Confident68 Ų6872.4 Ų72.436%0.35640%0.399SS..Hα-helixtrans-59.4-47.5177.1-69174.6000111.8L30 L39 A43 L44 S49 V50 L51L30-L47 HydrophobicContact CD1-CD1 3.69Å; L39-L47 HydrophobicContact CD1-CD1 4.49Å; A43-L47 WeakPolarHBondContact O-CG 3.38Å; A43-L47 PolarHBondContact O-N 2.97Å; L44-L47 PolarHBondContact O-N 3.31Å; L47-S49 VanDerWaalsContact C-N 3.35Å; L47-S49 PolarHBondContact O-N 3.4Å; L47-V50 PolarHBondContact O-N 2.85Å; L47-L51 VanDerWaalsContact O-CG 3.31Å; L47-L51 WeakPolarHBondContact O-CG 3.47Å; L47-L51 PolarHBondContact O-N 2.98Å
48T88Confident88.4Confident3 Ų368.1 Ų68.12%0.01837%0.367CS..Hα-helixtrans-61.5-42.6177.9-56.30000111.9L21 L23 V26 L44 S45 F46 V50 L51 E52L21-T48 HydrophobicContact CB-CG2 3.45Å; L21-T48 VanDerWaalsContact CB-CG2 3.45Å; L21-T48 HydrophobicContact CD1-CG2 4.27Å; L21-T48 HydrophobicContact CG-CG2 4.49Å; L23-T48 HydrophobicContact CD2-CG2 3.88Å; L23-T48 VanDerWaalsContact CD2-OG1 3.26Å; L23-T48 WeakPolarHBondContact CD2-OG1 3.26Å; V26-T48 HydrophobicContact CG2-CG2 4.42Å; L44-T48 WeakPolarHBondContact O-CB 3.12Å; L44-T48 PolarHBondContact O-N 3.48Å; L44-T48 PolarHBondContact O-OG1 2.98Å; S45-T48 PolarHBondContact O-N 2.93Å; F46-T48 PolarHBondContact O-N 3.29Å; T48-V50 PolarHBondContact O-N 3.47Å; T48-L51 PolarHBondContact O-N 2.9Å; T48-E52 VanDerWaalsContact O-CB 3.3Å; T48-E52 WeakPolarHBondContact O-CB 3.28Å; T48-E52 PolarHBondContact O-N 3.46Å
49S89.7Confident89.5Confident66 Ų6662.4 Ų62.446%0.46235%0.352SS..Hα-helixtrans-63.4-39.3177.4-67.20000112.6S45 F46 L47 Y53S45-S49 WeakPolarHBondContact O-CB 3.37Å; S45-S49 PolarHBondContact O-N 3.44Å; S45-S49 PolarHBondContact O-OG 3.27Å; F46-S49 PolarHBondContact O-N 3.02Å; L47-S49 VanDerWaalsContact C-N 3.35Å; L47-S49 PolarHBondContact O-N 3.4Å; S49-Y53 VanDerWaalsContact O-CB 3.3Å; S49-Y53 WeakPolarHBondContact O-CB 3.47Å; S49-Y53 PolarHBondContact O-N 2.92Å
50V92.2Very high90.2Very high57 Ų5766.1 Ų66.135%0.34537%0.367SS..Hα-helixtrans-64.5-46.1175.2172.20000110.6F46 L47 T48 E52 Y53 L54F46-V50 HydrophobicContact CD1-CG2 4.46Å; F46-V50 HydrophobicContact CE1-CG2 4.09Å; F46-V50 HydrophobicContact CE2-CG2 4.35Å; F46-V50 HydrophobicContact CZ-CG2 4.04Å; F46-V50 WeakPolarHBondContact O-CG2 3.31Å; F46-V50 PolarHBondContact O-N 2.89Å; L47-V50 PolarHBondContact O-N 2.85Å; T48-V50 PolarHBondContact O-N 3.47Å; V50-E52 PolarHBondContact O-N 3.47Å; V50-Y53 PolarHBondContact O-N 2.9Å; V50-L54 HydrophobicContact CG1-CD1 3.85Å; V50-L54 HydrophobicContact CG1-CG 4.33Å; V50-L54 WeakPolarHBondContact O-CB 3.45Å; V50-L54 VanDerWaalsContact O-CG 3.26Å; V50-L54 WeakPolarHBondContact O-CG 3.13Å; V50-L54 PolarHBondContact O-N 2.99Å
51L91.1Very high90.8Very high81 Ų8165.2 Ų65.242%0.42436%0.357SS..Hα-helixtrans-62.9-41.7177.9-68.2173.7000112.2L21 L47 T48 T55L21-L51 HydrophobicContact CD1-CB 4.19Å; L47-L51 VanDerWaalsContact O-CG 3.31Å; L47-L51 WeakPolarHBondContact O-CG 3.47Å; L47-L51 PolarHBondContact O-N 2.98Å; T48-L51 PolarHBondContact O-N 2.9Å; L51-T55 VanDerWaalsContact O-CB 3.26Å; L51-T55 WeakPolarHBondContact O-CB 3.37Å; L51-T55 PolarHBondContact O-N 3.36Å; L51-T55 PolarHBondContact O-OG1 3.3Å
52E90.3Very high91.5Very high55 Ų5564 Ų6426%0.25735%0.348SS..Hα-helixtrans-64-45.9177.7-171.6168.1-174.700111G19 E20 L21 T48 V50 T55 S56G19-E52 WeakPolarHBondContact CA-OE2 3.26Å; E20-E52 PolarHBondContact N-OE1 3.35Å; L21-E52 HydrophobicContact CD1-CB 3.93Å; L21-E52 HydrophobicContact CG-CB 4.4Å; T48-E52 VanDerWaalsContact O-CB 3.3Å; T48-E52 WeakPolarHBondContact O-CB 3.28Å; T48-E52 PolarHBondContact O-N 3.46Å; V50-E52 PolarHBondContact O-N 3.47Å; E52-T55 PolarHBondContact O-N 3.46Å; E52-S56 VanDerWaalsContact O-CB 3.25Å; E52-S56 WeakPolarHBondContact O-CB 3.3Å; E52-S56 PolarHBondContact O-N 3.08Å
53Y93.5Very high92Very high153 Ų15361.4 Ų61.460%0.633%0.334SS*.Hα-helixtrans-59.8-50.8175.7170.2-105.7000112.1S49 V50 T55 S56 N57S49-Y53 VanDerWaalsContact O-CB 3.3Å; S49-Y53 WeakPolarHBondContact O-CB 3.47Å; S49-Y53 PolarHBondContact O-N 2.92Å; V50-Y53 PolarHBondContact O-N 2.9Å; Y53-T55 PolarHBondContact O-N 2.91Å; Y53-S56 PolarHBondContact O-N 3.07Å; Y53-N57 WeakPolarHBondContact O-CB 3.4Å; Y53-N57 PolarHBondContact O-N 2.97Å
54L93.4Very high92.4Very high50 Ų5065 Ų6526%0.26234%0.344SS..Hα-helixtrans-63.1-43.6-179.1-69.7175.1000111.6V50 N57 I58 L92V50-L54 HydrophobicContact CG1-CD1 3.85Å; V50-L54 HydrophobicContact CG1-CG 4.33Å; V50-L54 WeakPolarHBondContact O-CB 3.45Å; V50-L54 VanDerWaalsContact O-CG 3.26Å; V50-L54 WeakPolarHBondContact O-CG 3.13Å; V50-L54 PolarHBondContact O-N 2.99Å; L54-N57 PolarHBondContact O-N 3.06Å; L54-I58 VanDerWaalsContact O-CG1 3.28Å; L54-I58 WeakPolarHBondContact O-CG1 3.37Å; L54-I58 PolarHBondContact O-N 2.89Å; L54-L92 HydrophobicContact CD1-CD2 4.27Å
55T93.4Very high92.8Very high71 Ų7165.7 Ų65.744%0.43635%0.349SS..Hα-helixtrans-63.9-45178.1-540000110.6L51 E52 Y53 N57 I58 L59L51-T55 VanDerWaalsContact O-CB 3.26Å; L51-T55 WeakPolarHBondContact O-CB 3.37Å; L51-T55 PolarHBondContact O-N 3.36Å; L51-T55 PolarHBondContact O-OG1 3.3Å; E52-T55 PolarHBondContact O-N 3.46Å; Y53-T55 PolarHBondContact O-N 2.91Å; T55-N57 PolarHBondContact O-N 3.47Å; T55-I58 PolarHBondContact O-N 2.92Å; T55-L59 HydrophobicContact CG2-CD1 3.89Å; T55-L59 HydrophobicContact CG2-CG 4.32Å; T55-L59 WeakPolarHBondContact O-CB 3.39Å; T55-L59 VanDerWaalsContact O-CG 3.25Å; T55-L59 WeakPolarHBondContact O-CG 3.39Å; T55-L59 PolarHBondContact O-N 2.89Å
56S94.4Very high93.4Very high69 Ų6963.5 Ų63.548%0.48333%0.333SS..Hα-helixtrans-60.5-45.8176.8-1720000111.8E52 Y53 I58 L59 E60E52-S56 VanDerWaalsContact O-CB 3.25Å; E52-S56 WeakPolarHBondContact O-CB 3.3Å; E52-S56 PolarHBondContact O-N 3.08Å; Y53-S56 PolarHBondContact O-N 3.07Å; S56-I58 VanDerWaalsContact C-N 3.35Å; S56-I58 PolarHBondContact O-N 3.03Å; S56-L59 PolarHBondContact O-N 3.34Å; S56-E60 WeakPolarHBondContact O-CB 3.35Å; S56-E60 PolarHBondContact O-N 3.26Å
57N93.3Very high93.7Very high45 Ų4563.8 Ų63.824%0.24134%0.337CS..Hα-helixtrans-61.8-42.3179.8-17457.5000111.9Y53 L54 T55 L61Y53-N57 WeakPolarHBondContact O-CB 3.4Å; Y53-N57 PolarHBondContact O-N 2.97Å; L54-N57 PolarHBondContact O-N 3.06Å; T55-N57 PolarHBondContact O-N 3.47Å; N57-L61 WeakPolarHBondContact O-CG 3.3Å; N57-L61 PolarHBondContact O-N 3.47Å
58I95.2Very high94Very high23 Ų2365.7 Ų65.712%0.11835%0.351CS..Hα-helixtrans-66.6-43.6176.6-66.7166.9000110.8L54 T55 S56 A62 V79 L89 F93L54-I58 VanDerWaalsContact O-CG1 3.28Å; L54-I58 WeakPolarHBondContact O-CG1 3.37Å; L54-I58 PolarHBondContact O-N 2.89Å; T55-I58 PolarHBondContact O-N 2.92Å; S56-I58 VanDerWaalsContact C-N 3.35Å; S56-I58 PolarHBondContact O-N 3.03Å; I58-A62 WeakPolarHBondContact O-CB 3.29Å; I58-A62 PolarHBondContact O-N 3.4Å; I58-V79 HydrophobicContact CG2-CG1 3.99Å; I58-L89 HydrophobicContact CD1-CD2 4.1Å; I58-L89 HydrophobicContact CG1-CD1 3.88Å; I58-L89 HydrophobicContact CG1-CD2 4.01Å; I58-F93 HydrophobicContact CD1-CE2 4.02Å; I58-F93 HydrophobicContact CD1-CZ 3.96Å
59L95.5Very high94.3Very high87 Ų8769.5 Ų69.546%0.45538%0.375SS..Hα-helixtrans-68.7-35.2-178.5-72.9177.7000112.9T55 S56 A62 G63 I74T55-L59 HydrophobicContact CG2-CD1 3.89Å; T55-L59 HydrophobicContact CG2-CG 4.32Å; T55-L59 WeakPolarHBondContact O-CB 3.39Å; T55-L59 VanDerWaalsContact O-CG 3.25Å; T55-L59 WeakPolarHBondContact O-CG 3.39Å; T55-L59 PolarHBondContact O-N 2.89Å; S56-L59 PolarHBondContact O-N 3.34Å; L59-A62 PolarHBondContact O-N 2.68Å; L59-G63 PolarHBondContact O-N 3Å; L59-I74 HydrophobicContact CD2-CD1 4.12Å
60E94.9Very high94.5Very high136 Ų13669.6 Ų69.664%0.63639%0.386SS*.Hα-helixtrans-62.2-53.1175.4-179168.8-167.200110.8S56 A62 G63 E64S56-E60 WeakPolarHBondContact O-CB 3.35Å; S56-E60 PolarHBondContact O-N 3.26Å; E60-A62 VanDerWaalsContact C-N 3.33Å; E60-A62 PolarHBondContact O-N 3.38Å; E60-G63 PolarHBondContact O-N 2.88Å; E60-G63 VanDerWaalsContact O-N 3.16Å; E60-E64 PolarHBondContact O-N 2.94Å
61L95.6Very high94.5Very high55 Ų5570.8 Ų70.829%0.28838%0.384SS..Hα-helixtrans-61.8-40.9177-65.6174.3000111.8N57 G63 E64 V65 V82N57-L61 WeakPolarHBondContact O-CG 3.3Å; N57-L61 PolarHBondContact O-N 3.47Å; L61-G63 VanDerWaalsContact C-N 3.29Å; L61-G63 PolarHBondContact O-N 3.22Å; L61-E64 WeakPolarHBondContact O-CB 3.28Å; L61-E64 PolarHBondContact O-N 2.87Å; L61-V65 WeakPolarHBondContact O-CG2 3.46Å; L61-V65 PolarHBondContact O-N 3.17Å; L61-V82 HydrophobicContact CB-CB 4.31Å; L61-V82 HydrophobicContact CB-CG1 3.58Å; L61-V82 HydrophobicContact CB-CG2 3.69Å; L61-V82 HydrophobicContact CD1-CG1 3.78Å; L61-V82 HydrophobicContact CG-CG1 4.35Å
62A96.5Very high94.6Very high0 Ų077.2 Ų77.20%041%0.409CS..Hα-helixtrans-69.2-31.5178.600000111.7I58 L59 E60 V65 A66 I74 D78 V79 V82I58-A62 WeakPolarHBondContact O-CB 3.29Å; I58-A62 PolarHBondContact O-N 3.4Å; L59-A62 PolarHBondContact O-N 2.68Å; E60-A62 VanDerWaalsContact C-N 3.33Å; E60-A62 PolarHBondContact O-N 3.38Å; A62-V65 PolarHBondContact O-N 3.38Å; A62-A66 WeakPolarHBondContact O-CB 3.47Å; A62-A66 PolarHBondContact O-N 2.71Å; A62-I74 HydrophobicContact CB-CD1 4.35Å; A62-I74 HydrophobicContact CB-CG2 3.76Å; A62-D78 HydrophobicContact CB-CB 4.23Å; A62-V79 HydrophobicContact CB-CG2 3.91Å; A62-V82 HydrophobicContact CB-CG2 4.26Å
63G97.3Very high94.9Very high26 Ų2684.8 Ų84.827%0.26844%0.435SS..Hα-helixtrans-64.2-42.2171.500000112.3L59 E60 L61 A66 Q67L59-G63 PolarHBondContact O-N 3Å; E60-G63 PolarHBondContact O-N 2.88Å; E60-G63 VanDerWaalsContact O-N 3.16Å; L61-G63 VanDerWaalsContact C-N 3.29Å; L61-G63 PolarHBondContact O-N 3.22Å; G63-A66 PolarHBondContact O-N 2.87Å; G63-Q67 WeakPolarHBondContact O-CB 3.33Å; G63-Q67 PolarHBondContact O-N 2.9Å
64E95.7Very high95Very high116 Ų11681.1 Ų81.154%0.54243%0.425SS..Hα-helixtrans-62.1-46.4174.1-171.8179.4173.700111.3E60 L61 A66 Q67 T68E60-E64 PolarHBondContact O-N 2.94Å; L61-E64 WeakPolarHBondContact O-CB 3.28Å; L61-E64 PolarHBondContact O-N 2.87Å; E64-A66 VanDerWaalsContact C-N 3.35Å; E64-A66 PolarHBondContact O-N 3.06Å; E64-Q67 PolarHBondContact O-N 2.8Å; E64-T68 WeakPolarHBondContact O-CG2 3.47Å; E64-T68 PolarHBondContact O-N 3.06Å; E64-T68 PolarHBondContact O-OG1 3.35Å
65V96.3Very high95Very high27 Ų2779.6 Ų79.616%0.16442%0.42CS..Hα-helixtrans-62.2-41.3176179.70000111.6L61 A62 Q67 T68 T69 D78 L81 V82L61-V65 WeakPolarHBondContact O-CG2 3.46Å; L61-V65 PolarHBondContact O-N 3.17Å; A62-V65 PolarHBondContact O-N 3.38Å; V65-Q67 VanDerWaalsContact C-N 3.35Å; V65-Q67 PolarHBondContact O-N 2.84Å; V65-T68 WeakPolarHBondContact CA-OG1 3.31Å; V65-T68 PolarHBondContact O-N 3.48Å; V65-T68 PolarHBondContact O-OG1 2.95Å; V65-T69 WeakPolarHBondContact O-CB 3.25Å; V65-T69 PolarHBondContact O-N 3.03Å; V65-T69 PolarHBondContact O-OG1 3.27Å; V65-D78 HydrophobicContact CB-CB 4.2Å; V65-D78 HydrophobicContact CG1-CB 4.11Å; V65-D78 WeakPolarHBondContact CG1-OD1 3.26Å; V65-L81 HydrophobicContact CG1-CD2 3.67Å; V65-L81 HydrophobicContact CG2-CD2 4.38Å; V65-V82 HydrophobicContact CG2-CG2 3.81Å
66A96.8Very high95.2Very high3 Ų381 Ų813%0.02543%0.43CS..Hα-helixtrans-62.9-43.6176.100000111.3A62 G63 E64 T69 G70 R71 I74 D78A62-A66 WeakPolarHBondContact O-CB 3.47Å; A62-A66 PolarHBondContact O-N 2.71Å; G63-A66 PolarHBondContact O-N 2.87Å; E64-A66 VanDerWaalsContact C-N 3.35Å; E64-A66 PolarHBondContact O-N 3.06Å; A66-T69 CarbonylContact O-C 3.56Å; A66-T69 PolarHBondContact O-N 3.36Å; A66-G70 PolarHBondContact O-N 2.93Å; A66-R71 CarbonylContact C-O 3.45Å; A66-R71 HydrophobicContact CB-CB 4.49Å; A66-R71 WeakPolarHBondContact O-CA 3.38Å; A66-R71 PolarHBondContact O-N 2.99Å; A66-I74 HydrophobicContact CB-CG1 4.3Å; A66-D78 WeakPolarHBondContact CB-OD2 3.45Å; A66-D78 PolarHBondContact N-OD1 3.41Å
67Q96Very high95.2Very high148 Ų14883.1 Ų83.169%0.69243%0.433SS*.Hα-helixtrans-64.6-43179.4-173.3179.336.500111.9G63 E64 V65 T69 G70G63-Q67 WeakPolarHBondContact O-CB 3.33Å; G63-Q67 PolarHBondContact O-N 2.9Å; E64-Q67 PolarHBondContact O-N 2.8Å; V65-Q67 VanDerWaalsContact C-N 3.35Å; V65-Q67 PolarHBondContact O-N 2.84Å; Q67-T69 VanDerWaalsContact C-N 3.25Å; Q67-T69 PolarHBondContact O-N 2.9Å; Q67-G70 WeakPolarHBondContact O-CA 3.47Å; Q67-G70 PolarHBondContact O-N 2.94Å
68T95.6Very high95.3Very high108 Ų10881 Ų8166%0.66342%0.421SS*.Hα-helixtrans-64.4-31.4175.956.60000112.2E64 V65 G70E64-T68 WeakPolarHBondContact O-CG2 3.47Å; E64-T68 PolarHBondContact O-N 3.06Å; E64-T68 PolarHBondContact O-OG1 3.35Å; V65-T68 WeakPolarHBondContact CA-OG1 3.31Å; V65-T68 PolarHBondContact O-N 3.48Å; V65-T68 PolarHBondContact O-OG1 2.95Å; T68-G70 PolarHBondContact O-N 3.45Å
69T93.6Very high95.3Very high83 Ų8382.2 Ų82.251%0.50943%0.43SS..THydrogen-bonded Turntrans-77.1-0172.5-48.60000112.7V65 A66 Q67 R71V65-T69 WeakPolarHBondContact O-CB 3.25Å; V65-T69 PolarHBondContact O-N 3.03Å; V65-T69 PolarHBondContact O-OG1 3.27Å; A66-T69 CarbonylContact O-C 3.56Å; A66-T69 PolarHBondContact O-N 3.36Å; Q67-T69 VanDerWaalsContact C-N 3.25Å; Q67-T69 PolarHBondContact O-N 2.9Å; T69-R71 HydrophobicContact CG2-CG 4.19Å; T69-R71 PolarHBondContact O-N 3.38Å
70G94.2Very high95.3Very high68 Ų6883.3 Ų83.370%0.70143%0.432SS*.THydrogen-bonded Turntrans7313.1-177.400000114.1A66 Q67 T68A66-G70 PolarHBondContact O-N 2.93Å; Q67-G70 WeakPolarHBondContact O-CA 3.47Å; Q67-G70 PolarHBondContact O-N 2.94Å; T68-G70 PolarHBondContact O-N 3.45Å
71R92.6Very high95.3Very high82 Ų8280.2 Ų80.231%0.30942%0.419SS..  trans-91.8139178.8-62.2-172.1-72-175-7.7110.4A66 T69 E77 D78A66-R71 CarbonylContact C-O 3.45Å; A66-R71 HydrophobicContact CB-CB 4.49Å; A66-R71 WeakPolarHBondContact O-CA 3.38Å; A66-R71 PolarHBondContact O-N 2.99Å; T69-R71 HydrophobicContact CG2-CG 4.19Å; T69-R71 PolarHBondContact O-N 3.38Å; R71-E77 IonicContact NH1-OE2 3.96Å; R71-E77 PolarHBondContact NH1-OE2 3.49Å; R71-E77 VanDerWaalsContact NH1-OE2 3.08Å; R71-E77 IonicContact NH2-OE2 3.58Å; R71-D78 IonicContact CZ-OD1 2.62Å; R71-D78 IonicContact CZ-OD2 3.07Å; R71-D78 IonicContact NE-OD1 3.08Å; R71-D78 IonicContact NE-OD2 3.58Å; R71-D78 IonicContact NH2-OD1 3.98Å; R71-D78 PolarHBondContact NH2-OD1 2.81Å; R71-D78 IonicContact NH2-OD2 3.8Å; R71-D78 PolarHBondContact NH2-OD2 3.48Å
72K92.7Very high95.3Very high216 Ų21678 Ų7894%0.93941%0.408SS*.SBendtrans-84.7-9.8174-67-174.3179.2-179.30113.7
73R96.3Very high95.1Very high215 Ų21579.3 Ų79.381%0.81142%0.416SS*.SBendtrans-126.5136.5-176.4-65.4-177178.8-176.9-0.3108.5
74I95Very high94.9Very high75 Ų7582.6 Ų82.639%0.38543%0.425SS..  trans-66.9129.8170.7-59.3172.2000108.1L59 A62 A66 D78 V79L59-I74 HydrophobicContact CD2-CD1 4.12Å; A62-I74 HydrophobicContact CB-CD1 4.35Å; A62-I74 HydrophobicContact CB-CG2 3.76Å; A66-I74 HydrophobicContact CB-CG1 4.3Å; I74-D78 HydrophobicContact CG2-CB 4.17Å; I74-V79 HydrophobicContact CG2-CG2 3.86Å
75A95.3Very high94.8Very high19 Ų1982.6 Ų82.616%0.15743%0.429CS..  trans-111165.4175.600000111.1E77 D78A75-E77 WeakPolarHBondContact CB-OE2 3.31Å; A75-E77 PolarHBondContact O-N 3.3Å; A75-E77 VanDerWaalsContact O-N 3.16Å; A75-D78 PolarHBondContact N-OD2 3.33Å; A75-D78 WeakPolarHBondContact O-CB 3.36Å; A75-D78 PolarHBondContact O-N 2.88Å; A75-D78 VanDerWaalsContact O-N 3.07Å
76P96.3Very high94.6Very high101 Ų10183.2 Ų83.266%0.65643%0.431SS*.Hα-helixtrans-56-32.9179.2-25.335.6000113.2D78 V79 H80P76-D78 VanDerWaalsContact C-N 3.34Å; P76-D78 PolarHBondContact O-N 2.91Å; P76-V79 PolarHBondContact O-N 2.94Å; P76-H80 WeakPolarHBondContact O-CB 3.33Å; P76-H80 PolarHBondContact O-N 3.47Å
77E95.6Very high94.3Very high113 Ų11389.4 Ų89.453%0.52846%0.459SS..Hα-helixtrans-67.7-33.7179.9-51.478.5-14900112.4R71 A75 H80 L81R71-E77 IonicContact NH1-OE2 3.96Å; R71-E77 PolarHBondContact NH1-OE2 3.49Å; R71-E77 VanDerWaalsContact NH1-OE2 3.08Å; R71-E77 IonicContact NH2-OE2 3.58Å; A75-E77 WeakPolarHBondContact CB-OE2 3.31Å; A75-E77 PolarHBondContact O-N 3.3Å; A75-E77 VanDerWaalsContact O-N 3.16Å; E77-H80 PolarHBondContact O-N 3.38Å; E77-L81 WeakPolarHBondContact O-CB 3.22Å; E77-L81 PolarHBondContact O-N 3.48Å
78D95.1Very high94Very high1 Ų189.5 Ų89.51%0.00546%0.46CS..Hα-helixtrans-65.2-46.9178.9-60.9-50.9000110.3A62 V65 A66 R71 I74 A75 P76 H80 L81 V82A62-D78 HydrophobicContact CB-CB 4.23Å; V65-D78 HydrophobicContact CB-CB 4.2Å; V65-D78 HydrophobicContact CG1-CB 4.11Å; V65-D78 WeakPolarHBondContact CG1-OD1 3.26Å; A66-D78 WeakPolarHBondContact CB-OD2 3.45Å; A66-D78 PolarHBondContact N-OD1 3.41Å; R71-D78 IonicContact CZ-OD1 2.62Å; R71-D78 IonicContact CZ-OD2 3.07Å; R71-D78 IonicContact NE-OD1 3.08Å; R71-D78 IonicContact NE-OD2 3.58Å; R71-D78 IonicContact NH2-OD1 3.98Å; R71-D78 PolarHBondContact NH2-OD1 2.81Å; R71-D78 IonicContact NH2-OD2 3.8Å; R71-D78 PolarHBondContact NH2-OD2 3.48Å; I74-D78 HydrophobicContact CG2-CB 4.17Å; A75-D78 PolarHBondContact N-OD2 3.33Å; A75-D78 WeakPolarHBondContact O-CB 3.36Å; A75-D78 PolarHBondContact O-N 2.88Å; A75-D78 VanDerWaalsContact O-N 3.07Å; P76-D78 VanDerWaalsContact C-N 3.34Å; P76-D78 PolarHBondContact O-N 2.91Å; D78-H80 VanDerWaalsContact C-N 3.32Å; D78-H80 PolarHBondContact O-N 3.02Å; D78-L81 PolarHBondContact O-N 3Å; D78-V82 WeakPolarHBondContact O-CG2 3.38Å; D78-V82 PolarHBondContact O-N 3.48Å
79V95.3Very high93.7Very high48 Ų4884.7 Ų84.729%0.29143%0.43SS..Hα-helixtrans-63.5-42.1177.6-1790000110.2I58 A62 I74 P76 L81 V82 V83I58-V79 HydrophobicContact CG2-CG1 3.99Å; A62-V79 HydrophobicContact CB-CG2 3.91Å; I74-V79 HydrophobicContact CG2-CG2 3.86Å; P76-V79 PolarHBondContact O-N 2.94Å; V79-L81 PolarHBondContact O-N 3.02Å; V79-V82 PolarHBondContact O-N 3.03Å; V79-V83 HydrophobicContact CG1-CG2 4.41Å; V79-V83 WeakPolarHBondContact O-CG2 3.25Å; V79-V83 PolarHBondContact O-N 3.45Å
80H95.1Very high93.6Very high109 Ų10988 Ų8851%0.50543%0.433SS..Hα-helixtrans-60.2-45.4177.5-172.871.5000112.1P76 E77 D78 V83 Q84P76-H80 WeakPolarHBondContact O-CB 3.33Å; P76-H80 PolarHBondContact O-N 3.47Å; E77-H80 PolarHBondContact O-N 3.38Å; D78-H80 VanDerWaalsContact C-N 3.32Å; D78-H80 PolarHBondContact O-N 3.02Å; H80-V83 PolarHBondContact O-N 3.16Å; H80-Q84 PolarHBondContact CE1-NE2 3.5Å; H80-Q84 PolarHBondContact NE2-NE2 3.27Å; H80-Q84 WeakPolarHBondContact O-CB 3.42Å; H80-Q84 WeakPolarHBondContact O-CG 3.32Å; H80-Q84 PolarHBondContact O-N 2.83Å
81L94.5Very high93.3Very high71 Ų7190.1 Ų90.137%0.37243%0.425SS..Hα-helixtrans-62.9-44.3178.2-174.165.6000111.7V65 E77 D78 V79 V83 Q84 N85V65-L81 HydrophobicContact CG1-CD2 3.67Å; V65-L81 HydrophobicContact CG2-CD2 4.38Å; E77-L81 WeakPolarHBondContact O-CB 3.22Å; E77-L81 PolarHBondContact O-N 3.48Å; D78-L81 PolarHBondContact O-N 3Å; V79-L81 PolarHBondContact O-N 3.02Å; L81-V83 PolarHBondContact O-N 3.17Å; L81-Q84 PolarHBondContact O-N 2.9Å; L81-N85 WeakPolarHBondContact CG-ND2 3.36Å; L81-N85 VanDerWaalsContact O-CB 3.31Å; L81-N85 WeakPolarHBondContact O-CB 3.49Å; L81-N85 PolarHBondContact O-N 3Å; L81-N85 PolarHBondContact O-ND2 2.8Å
82V95.4Very high93.1Very high9 Ų990.6 Ų90.66%0.05543%0.433CS..Hα-helixtrans-59.4-47176.1167.60000111.4L61 A62 V65 D78 V79 Q84 N85 N86 L89L61-V82 HydrophobicContact CB-CB 4.31Å; L61-V82 HydrophobicContact CB-CG1 3.58Å; L61-V82 HydrophobicContact CB-CG2 3.69Å; L61-V82 HydrophobicContact CD1-CG1 3.78Å; L61-V82 HydrophobicContact CG-CG1 4.35Å; A62-V82 HydrophobicContact CB-CG2 4.26Å; V65-V82 HydrophobicContact CG2-CG2 3.81Å; D78-V82 WeakPolarHBondContact O-CG2 3.38Å; D78-V82 PolarHBondContact O-N 3.48Å; V79-V82 PolarHBondContact O-N 3.03Å; V82-Q84 VanDerWaalsContact C-N 3.33Å; V82-Q84 PolarHBondContact O-N 3.41Å; V82-N85 PolarHBondContact O-N 3.07Å; V82-N86 WeakPolarHBondContact O-CB 3.4Å; V82-N86 PolarHBondContact O-N 2.62Å; V82-L89 HydrophobicContact CG1-CD1 3.93Å
83V93.3Very high92.9Very high28 Ų2885.9 Ų85.917%0.1741%0.413CS..Hα-helixtrans-64-39.5178.6170.70000110.8V79 H80 L81 L89 R90 F93V79-V83 HydrophobicContact CG1-CG2 4.41Å; V79-V83 WeakPolarHBondContact O-CG2 3.25Å; V79-V83 PolarHBondContact O-N 3.45Å; H80-V83 PolarHBondContact O-N 3.16Å; L81-V83 PolarHBondContact O-N 3.17Å; V83-L89 HydrophobicContact CG1-CB 4.5Å; V83-L89 HydrophobicContact CG2-CD1 4.46Å; V83-R90 WeakPolarHBondContact O-CG 3.5Å; V83-F93 HydrophobicContact CG1-CD2 3.73Å; V83-F93 HydrophobicContact CG1-CE2 4.43Å; V83-F93 HydrophobicContact CG2-CD2 4.05Å; V83-F93 HydrophobicContact CG2-CE2 3.92Å
84Q93.1Very high92.4Very high95 Ų9582.5 Ų82.544%0.44440%0.404SS..Hα-helixtrans-73.3-27.9178.4-75-167.6-6.300114.4H80 L81 V82 R90H80-Q84 PolarHBondContact CE1-NE2 3.5Å; H80-Q84 PolarHBondContact NE2-NE2 3.27Å; H80-Q84 WeakPolarHBondContact O-CB 3.42Å; H80-Q84 WeakPolarHBondContact O-CG 3.32Å; H80-Q84 PolarHBondContact O-N 2.83Å; L81-Q84 PolarHBondContact O-N 2.9Å; V82-Q84 VanDerWaalsContact C-N 3.33Å; V82-Q84 PolarHBondContact O-N 3.41Å; Q84-R90 VanDerWaalsContact O-CD 3.23Å; Q84-R90 WeakPolarHBondContact O-CD 3.5Å
85N92.5Very high91.7Very high116 Ų11684.9 Ų84.962%0.6242%0.424SS*.Hα-helixtrans-86.5-23.8-178.8-70.7-13.5000112.5L81 V82L81-N85 WeakPolarHBondContact CG-ND2 3.36Å; L81-N85 VanDerWaalsContact O-CB 3.31Å; L81-N85 WeakPolarHBondContact O-CB 3.49Å; L81-N85 PolarHBondContact O-N 3Å; L81-N85 PolarHBondContact O-ND2 2.8Å; V82-N85 PolarHBondContact O-N 3.07Å
86N91.7Very high90.6Very high40 Ų4087.4 Ų87.421%0.21445%0.452CS..  trans-96.9110.7178.9-174.9-61.9000111.1V82 Q88 L89 R90V82-N86 WeakPolarHBondContact O-CB 3.4Å; V82-N86 PolarHBondContact O-N 2.62Å; N86-Q88 VanDerWaalsContact C-N 3.31Å; N86-Q88 PolarHBondContact O-N 3.08Å; N86-Q88 WeakPolarHBondContact OD1-CA 3.47Å; N86-Q88 WeakPolarHBondContact OD1-CB 3.47Å; N86-Q88 PolarHBondContact OD1-N 2.85Å; N86-L89 HydrophobicContact CB-CB 4.03Å; N86-L89 HydrophobicContact CB-CD1 3.87Å; N86-L89 HydrophobicContact CB-CG 3.94Å; N86-L89 PolarHBondContact O-N 3.24Å; N86-L89 VanDerWaalsContact O-N 3.15Å; N86-L89 PolarHBondContact OD1-N 3.06Å; N86-R90 WeakPolarHBondContact O-CG 3.32Å; N86-R90 PolarHBondContact O-N 3.07Å
87E90.8Very high88.6Confident133 Ų13384.9 Ų84.962%0.62145%0.445SS*.Hα-helixtrans-54.3-43.6-179.2-171-173.7172.500113.3L89 R90 Q91E87-L89 PolarHBondContact O-N 3.4Å; E87-R90 WeakPolarHBondContact O-CB 3.35Å; E87-R90 PolarHBondContact O-N 3.48Å; E87-Q91 WeakPolarHBondContact O-CG 3.47Å; E87-Q91 PolarHBondContact O-N 3.16Å; E87-Q91 PolarHBondContact OE1-NE2 3.45Å
88Q89.1Confident86.6Confident150 Ų15085.9 Ų85.970%0.70146%0.459SS*.Hα-helixtrans-65.1-40.2-179-56.1178.5-75.200111.3N86 Q91 L92N86-Q88 VanDerWaalsContact C-N 3.31Å; N86-Q88 PolarHBondContact O-N 3.08Å; N86-Q88 WeakPolarHBondContact OD1-CA 3.47Å; N86-Q88 WeakPolarHBondContact OD1-CB 3.47Å; N86-Q88 PolarHBondContact OD1-N 2.85Å; Q88-Q91 PolarHBondContact O-N 2.89Å; Q88-L92 VanDerWaalsContact O-CB 3.28Å; Q88-L92 WeakPolarHBondContact O-CB 3.1Å; Q88-L92 PolarHBondContact O-N 3.37Å
89L91Very high84.4Confident6 Ų690.8 Ų90.83%0.03149%0.493CS..Hα-helixtrans-66.9-40.5174.7-65.6-178.1000111.5I58 V82 V83 N86 E87 Q91 L92 F93I58-L89 HydrophobicContact CD1-CD2 4.1Å; I58-L89 HydrophobicContact CG1-CD1 3.88Å; I58-L89 HydrophobicContact CG1-CD2 4.01Å; V82-L89 HydrophobicContact CG1-CD1 3.93Å; V83-L89 HydrophobicContact CG1-CB 4.5Å; V83-L89 HydrophobicContact CG2-CD1 4.46Å; N86-L89 HydrophobicContact CB-CB 4.03Å; N86-L89 HydrophobicContact CB-CD1 3.87Å; N86-L89 HydrophobicContact CB-CG 3.94Å; N86-L89 PolarHBondContact O-N 3.24Å; N86-L89 VanDerWaalsContact O-N 3.15Å; N86-L89 PolarHBondContact OD1-N 3.06Å; E87-L89 PolarHBondContact O-N 3.4Å; L89-Q91 VanDerWaalsContact C-N 3.32Å; L89-Q91 PolarHBondContact O-N 3.27Å; L89-L92 HydrophobicContact CD2-CD2 4.36Å; L89-L92 PolarHBondContact O-N 3.46Å; L89-F93 HydrophobicContact CB-CD2 4.38Å; L89-F93 HydrophobicContact CB-CE2 4.43Å; L89-F93 HydrophobicContact CD2-CE2 4.36Å; L89-F93 WeakPolarHBondContact O-CD2 3.33Å; L89-F93 PolarHBondContact O-N 2.83Å
90R89.8Confident82.5Confident152 Ų15294.8 Ų94.857%0.57452%0.517SS*.Hα-helixtrans-60.1-44.3174.9-62.9174.178.3179.5-9111.8V83 Q84 N86 E87 F93 K94V83-R90 WeakPolarHBondContact O-CG 3.5Å; Q84-R90 VanDerWaalsContact O-CD 3.23Å; Q84-R90 WeakPolarHBondContact O-CD 3.5Å; N86-R90 WeakPolarHBondContact O-CG 3.32Å; N86-R90 PolarHBondContact O-N 3.07Å; E87-R90 WeakPolarHBondContact O-CB 3.35Å; E87-R90 PolarHBondContact O-N 3.48Å; R90-F93 PolarHBondContact O-N 3.22Å; R90-K94 WeakPolarHBondContact O-CB 3.43Å; R90-K94 PolarHBondContact O-N 3.44Å
91Q89.3Confident80.3Confident114 Ų11495.8 Ų95.853%0.53353%0.526SS..Hα-helixtrans-65-42.8177.8-70-179.420.500110.6E87 Q88 L89 F93 K94E87-Q91 WeakPolarHBondContact O-CG 3.47Å; E87-Q91 PolarHBondContact O-N 3.16Å; E87-Q91 PolarHBondContact OE1-NE2 3.45Å; Q88-Q91 PolarHBondContact O-N 2.89Å; L89-Q91 VanDerWaalsContact C-N 3.32Å; L89-Q91 PolarHBondContact O-N 3.27Å; Q91-F93 VanDerWaalsContact C-N 3.34Å; Q91-F93 PolarHBondContact O-N 2.86Å; Q91-K94 WeakPolarHBondContact O-CB 3.33Å; Q91-K94 PolarHBondContact O-N 3.43Å
92L88.6Confident78.3Confident92 Ų92101.1 Ų101.148%0.48255%0.549SS..Hα-helixtrans-60-41.2176.9-179.664.8000112.6L54 Q88 L89L54-L92 HydrophobicContact CD1-CD2 4.27Å; Q88-L92 VanDerWaalsContact O-CB 3.28Å; Q88-L92 WeakPolarHBondContact O-CB 3.1Å; Q88-L92 PolarHBondContact O-N 3.37Å; L89-L92 HydrophobicContact CD2-CD2 4.36Å; L89-L92 PolarHBondContact O-N 3.46Å
93F88Confident76.3Confident117 Ų117108.5 Ų108.551%0.51359%0.588SS.*THydrogen-bonded Turntrans-91.62.8-180-66.9-62.9000113.9I58 V83 L89 R90 Q91I58-F93 HydrophobicContact CD1-CE2 4.02Å; I58-F93 HydrophobicContact CD1-CZ 3.96Å; V83-F93 HydrophobicContact CG1-CD2 3.73Å; V83-F93 HydrophobicContact CG1-CE2 4.43Å; V83-F93 HydrophobicContact CG2-CD2 4.05Å; V83-F93 HydrophobicContact CG2-CE2 3.92Å; L89-F93 HydrophobicContact CB-CD2 4.38Å; L89-F93 HydrophobicContact CB-CE2 4.43Å; L89-F93 HydrophobicContact CD2-CE2 4.36Å; L89-F93 WeakPolarHBondContact O-CD2 3.33Å; L89-F93 PolarHBondContact O-N 2.83Å; R90-F93 PolarHBondContact O-N 3.22Å; Q91-F93 VanDerWaalsContact C-N 3.34Å; Q91-F93 PolarHBondContact O-N 2.86Å
94K86.2Confident73.9Confident143 Ų143115.5 Ų115.562%0.62263%0.625SS**SBendtrans-65.3132.7176.6-168.7179.5177.4-174.60109R90 Q91 G96 G97R90-K94 WeakPolarHBondContact O-CB 3.43Å; R90-K94 PolarHBondContact O-N 3.44Å; Q91-K94 WeakPolarHBondContact O-CB 3.33Å; Q91-K94 PolarHBondContact O-N 3.43Å; K94-G96 PolarHBondContact O-N 3.23Å; K94-G97 PolarHBondContact O-N 2.89Å
95P79.3Confident71.4Confident125 Ų125121.3 Ų121.381%0.81266%0.659SS**THydrogen-bonded Turntrans-58.7127.2174.423.6-32.7000109.9
96G71.9Confident70.4Confident72 Ų72121.6 Ų121.674%0.74266%0.661SS**THydrogen-bonded Turntrans99.220.2-178.200000115.9K94 T98K94-G96 PolarHBondContact O-N 3.23Å; G96-T98 PolarHBondContact O-N 3.31Å
97G55.3Low69.2Low49 Ų49125.8 Ų125.851%0.50568%0.684SS.*  trans-42.2126.4179.400000113.5K94K94-G97 PolarHBondContact O-N 2.89Å
98T53.5Low68Low134 Ų134125.4 Ų125.482%0.82269%0.688SS**  trans119.118179.464.60000118.3G96 V100G96-T98 PolarHBondContact O-N 3.31Å; T98-V100 PolarHBondContact O-N 2.95Å
99S49Very low66.8Low104 Ų104124 Ų12473%0.72769%0.687SS**  trans-81.363.515571.40000110.5
100V54.2Low65.3Low131 Ų131131.4 Ų131.479%0.79473%0.728SS**  trans-81.77.4162.8-1760000110.3T98T98-V100 PolarHBondContact O-N 2.95Å
101N48.8Very low63.6Low130 Ų130130 Ų13070%0.69574%0.738SS**SBendtrans-137.3107.2174.9-48.4-76.2000107.2
102E54.3Low61.8Low183 Ų183131.1 Ų131.186%0.85575%0.753SS**SBendtrans179.1-6.3137.4-100.5169.7179.200115.3
103D51.6Low59.7Low164 Ų164134.2 Ų134.288%0.87777%0.774SS**  trans-94.96.8-178.6-63.4-32.4000115.4N105D103-N105 PolarHBondContact O-N 3.37Å
104D43.4Very low57.4Low175 Ų175135.6 Ų135.694%0.93680%0.796SS**  trans-91.764.6170.7-72.2-36.6000111.3
105N41.3Very low54.8Low217 Ų217134.9 Ų134.9100%1.1681%0.811SS**  trans-160.10157.2176.397.3000111.9D103D103-N105 PolarHBondContact O-N 3.37Å

Retrieved 105 of 105 residues in 126.9 ms (Link to these results)