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Histone H2A

Core component of nucleosome. Nucleosomes wrap and compact DNA into chromatin, limiting DNA accessibility to the cellular machineries which require DNA as a template. Histones thereby play a central role in transcription regulation, DNA repair, DNA replication and chromosomal stability. DNA accessibility is regulated via a complex set of post-translational modifications of histones, also called histone code, and nucleosome remodeling.

AlphaFold DB (Q6FI13), UniProt , Accession A0A096NE00, Species PAPAN (Papio anubis, Olive baboon), Gene H2AC19, Length 130 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
1M54.4Low60.2Low247 Ų247143.2 Ų143.2100%1.21785%0.847SS**  0137.80-100.6-177.416400109.9
2S57.5Low61.6Low99 Ų99151.3 Ų151.369%0.69285%0.852SS**  trans67.490.3157.9179.10000118.3R4S2-R4 PolarHBondContact O-N 2.91Å; S2-R4 VanDerWaalsContact O-N 3.1Å
3G56.7Low63.2Low84 Ų84146.5 Ų146.587%0.86684%0.843SS**  trans-57108151.200000109.7G5G3-G5 PolarHBondContact O-N 2.94Å
4R60.7Low64.8Low237 Ų237150.5 Ų150.589%0.89485%0.846SS**  trans-84.7115.1-178.6-159.4146.4176.5148.3-4.7108.7S2S2-R4 PolarHBondContact O-N 2.91Å; S2-R4 VanDerWaalsContact O-N 3.1Å
5G57Low66.4Low60 Ų60146.8 Ų146.862%0.61984%0.842SS**  trans-45137.6-169.200000115.1G3 Q7G3-G5 PolarHBondContact O-N 2.94Å; G5-Q7 PolarHBondContact O-N 2.87Å
6K57.7Low68.1Low213 Ų213147.4 Ų147.493%0.92683%0.831SS**  trans-59.484.9163-165.5178.1-168.3179.80107.4G8K6-G8 PolarHBondContact O-N 2.89Å; K6-G8 VanDerWaalsContact O-N 3.14Å
7Q56.8Low69.7Low183 Ų183142.4 Ų142.486%0.85581%0.808SS**  trans-48.5123.2174.9-82.7179-13.900107.7G5 G9G5-Q7 PolarHBondContact O-N 2.87Å; Q7-G9 PolarHBondContact O-N 2.72Å
8G55.3Low71.2Confident76 Ų76139.9 Ų139.978%0.78478%0.784SS**  trans-41.1109.1-178.200000109.8K6 K10K6-G8 PolarHBondContact O-N 2.89Å; K6-G8 VanDerWaalsContact O-N 3.14Å; G8-K10 PolarHBondContact O-N 3.06Å
9G62.5Low72.6Confident72 Ų72133.3 Ų133.374%0.74275%0.748SS**  trans-62.9103.7-173.100000108.1Q7 A11Q7-G9 PolarHBondContact O-N 2.72Å; G9-A11 PolarHBondContact O-N 2.93Å; G9-A11 VanDerWaalsContact O-N 3.08Å
10K68.4Low73.8Confident202 Ų202130 Ų13088%0.87873%0.734SS**  trans-44.7123.7164.4-72.3-178.3178.2177.70106.3G8 R12G8-K10 PolarHBondContact O-N 3.06Å; K10-R12 PolarHBondContact O-N 2.96Å
11A74.9Confident74.9Confident102 Ų102132.3 Ų132.384%0.84373%0.731SS**  trans-48110.3-178.300000108.1G9 A13G9-A11 PolarHBondContact O-N 2.93Å; G9-A11 VanDerWaalsContact O-N 3.08Å; A11-A13 PolarHBondContact O-N 3.38Å
12R77.6Confident76.9Confident241 Ų241122.6 Ų122.691%0.90969%0.69SS**PPolyproline II helixtrans-59.2120.7-173.6-173.7177.3-178.7178.91.8106.8K10 K14K10-R12 PolarHBondContact O-N 2.96Å; R12-K14 PolarHBondContact O-N 3.13Å
13A82.5Confident78.8Confident89 Ų89121 Ų12174%0.73669%0.689SS**PPolyproline II helixtrans-51.7132.117800000109A11 A15A11-A13 PolarHBondContact O-N 3.38Å; A13-A15 PolarHBondContact O-N 3.28Å
14K85.2Confident80.8Confident202 Ų202118.2 Ų118.288%0.87865%0.654SS**PPolyproline II helixtrans-54.1128.9-179.8-76.5-179.8175.2174.50108.8R12 K16R12-K14 PolarHBondContact O-N 3.13Å; K14-K16 PolarHBondContact O-N 3.3Å; K14-K16 VanDerWaalsContact O-N 3.14Å
15A89.6Confident82.6Confident95 Ų95114.8 Ų114.879%0.78565%0.648SS**PPolyproline II helixtrans-61.3119.7178.600000109.7A13 S17A13-A15 PolarHBondContact O-N 3.28Å; A15-S17 PolarHBondContact O-N 2.87Å
16K92.8Very high84.6Confident156 Ų156114.9 Ų114.968%0.67863%0.632SS**PPolyproline II helixtrans-60.5130.6172.8-66.5-171.4-178.7-176.50109.6K14 R21K14-K16 PolarHBondContact O-N 3.3Å; K14-K16 VanDerWaalsContact O-N 3.14Å; K16-R21 HydrophobicContact CB-CG 4.13Å; K16-R21 PolarHBondContact O-NE 3.4Å
17S95.6Very high86.5Confident63 Ų63106.8 Ų106.844%0.44160%0.601SS.*PPolyproline II helixtrans-67.5155.8178.6770000110.8A15 S19 S20 R21A15-S17 PolarHBondContact O-N 2.87Å; S17-S19 PolarHBondContact O-N 3.27Å; S17-S20 PolarHBondContact N-OG 3.33Å; S17-S20 PolarHBondContact O-N 3.06Å; S17-S20 PolarHBondContact O-OG 2.72Å; S17-S20 WeakPolarHBondContact OG-CB 3.48Å; S17-S20 PolarHBondContact OG-N 3.07Å; S17-S20 PolarHBondContact OG-OG 3.18Å; S17-R21 WeakPolarHBondContact O-CG 3.5Å; S17-R21 PolarHBondContact O-N 3.15Å
18R96Very high88.5Confident97 Ų9798 Ų9837%0.36656%0.56SS.*Hα-helixtrans-58.8-37.2174.6-74.8-169.6-78.1162.9-3.6112.5R21 A22 V28 H32R18-R21 PolarHBondContact O-N 3.03Å; R18-A22 WeakPolarHBondContact O-CB 3.38Å; R18-A22 PolarHBondContact O-N 3.24Å; R18-V28 HydrophobicContact CB-CB 4.08Å; R18-V28 HydrophobicContact CB-CG1 3.85Å; R18-H32 PolarHBondContact NH1-ND1 3.28Å; R18-H32 VanDerWaalsContact NH1-ND1 3.13Å; R18-H32 PolarHBondContact NH2-ND1 3.24Å; R18-H32 VanDerWaalsContact NH2-ND1 3.18Å
19S97.9Very high90.5Very high15 Ų1596.1 Ų96.111%0.10554%0.54CS..Hα-helixtrans-61.3-49.6174.2-60.50000111.9S17 R21 A22 G23 L24 F26 P27 V28S17-S19 PolarHBondContact O-N 3.27Å; S19-R21 PolarHBondContact O-N 3.48Å; S19-A22 CarbonylContact O-C 3.52Å; S19-A22 PolarHBondContact O-N 3.28Å; S19-G23 PolarHBondContact O-N 3.36Å; S19-L24 CarbonylContact C-O 3.51Å; S19-L24 WeakPolarHBondContact CB-O 3.41Å; S19-L24 PolarHBondContact O-N 3.31Å; S19-F26 WeakPolarHBondContact CB-O 3.35Å; S19-F26 PolarHBondContact OG-O 3.24Å; S19-P27 WeakPolarHBondContact OG-CA 3.3Å; S19-V28 PolarHBondContact OG-N 3.27Å
20S96.8Very high92.2Very high67 Ų6799.6 Ų99.647%0.46953%0.531SS..Hα-helixtrans-62.7-29.717866.30000113.6S17S17-S20 PolarHBondContact N-OG 3.33Å; S17-S20 PolarHBondContact O-N 3.06Å; S17-S20 PolarHBondContact O-OG 2.72Å; S17-S20 WeakPolarHBondContact OG-CB 3.48Å; S17-S20 PolarHBondContact OG-N 3.07Å; S17-S20 PolarHBondContact OG-OG 3.18Å
21R96.6Very high93.7Very high179 Ų17990.9 Ų90.968%0.67550%0.495SS*.Hα-helixtrans-75.5-30.8174.2-68.5176-169.7-172.4-0112.5K16 S17 R18 S19K16-R21 HydrophobicContact CB-CG 4.13Å; K16-R21 PolarHBondContact O-NE 3.4Å; S17-R21 WeakPolarHBondContact O-CG 3.5Å; S17-R21 PolarHBondContact O-N 3.15Å; R18-R21 PolarHBondContact O-N 3.03Å; S19-R21 PolarHBondContact O-N 3.48Å
22A97.3Very high94.8Very high43 Ų4387.6 Ų87.636%0.35546%0.462SS..Hα-helixtrans-87.1-6.8178.400000113.4R18 S19 L24 V50R18-A22 WeakPolarHBondContact O-CB 3.38Å; R18-A22 PolarHBondContact O-N 3.24Å; S19-A22 CarbonylContact O-C 3.52Å; S19-A22 PolarHBondContact O-N 3.28Å; A22-L24 VanDerWaalsContact C-N 3.31Å; A22-L24 HydrophobicContact CB-CD1 3.97Å; A22-L24 HydrophobicContact CB-CG 4.04Å; A22-V50 HydrophobicContact CB-CG1 3.84Å
23G97.7Very high95.8Very high64 Ų6484.2 Ų84.266%0.6645%0.449SS*.THydrogen-bonded Turntrans72.822.2-175.500000114S19S19-G23 PolarHBondContact O-N 3.36Å
24L98.4Very high96.5Very high26 Ų2684.5 Ų84.514%0.13644%0.437CS..  trans-106.2140.6-175.9-62.8174.7000111.2S19 A22 V28 V50 A53 A54 E57S19-L24 CarbonylContact C-O 3.51Å; S19-L24 WeakPolarHBondContact CB-O 3.41Å; S19-L24 PolarHBondContact O-N 3.31Å; A22-L24 VanDerWaalsContact C-N 3.31Å; A22-L24 HydrophobicContact CB-CD1 3.97Å; A22-L24 HydrophobicContact CB-CG 4.04Å; L24-V28 HydrophobicContact CD1-CG2 3.81Å; L24-V50 HydrophobicContact CD1-CG1 4.24Å; L24-A53 HydrophobicContact CD1-CB 3.93Å; L24-A54 HydrophobicContact CD1-CB 4.05Å; L24-A54 HydrophobicContact CD2-CB 3.89Å; L24-E57 WeakPolarHBondContact CA-OE2 3.32Å; L24-E57 WeakPolarHBondContact CB-OE2 3.48Å
25Q98.3Very high97.1Very high166 Ų16676.3 Ų76.378%0.77640%0.403SS*.SBendtrans-75.2-32.6165.6-62.9-57.6-35.400111.3E57Q25-E57 PolarHBondContact N-OE1 3.13Å; Q25-E57 PolarHBondContact N-OE2 3.05Å
26F98.4Very high97.5Very high61 Ų6178.2 Ų78.227%0.26839%0.39SS..SBendtrans-71.2144.2-176.8-84.835.9000111.2S19 V28 A53 L56 E57 T60S19-F26 WeakPolarHBondContact CB-O 3.35Å; S19-F26 PolarHBondContact OG-O 3.24Å; F26-V28 PolarHBondContact O-N 3.01Å; F26-A53 HydrophobicContact CB-CB 4.24Å; F26-L56 HydrophobicContact CD2-CB 3.75Å; F26-L56 VanDerWaalsContact CE2-C 3.47Å; F26-L56 HydrophobicContact CE2-CB 3.8Å; F26-L56 WeakPolarHBondContact CE2-O 3.06Å; F26-E57 HydrophobicContact CB-CB 4.09Å; F26-E57 WeakPolarHBondContact CB-OE2 3.38Å; F26-E57 HydrophobicContact CD1-CB 3.8Å; F26-E57 HydrophobicContact CD1-CG 3.81Å; F26-E57 HydrophobicContact CD2-CB 3.98Å; F26-E57 HydrophobicContact CE1-CB 4.24Å; F26-E57 HydrophobicContact CE1-CG 4.19Å; F26-E57 HydrophobicContact CE2-CB 4.4Å; F26-E57 HydrophobicContact CG-CB 3.68Å; F26-E57 HydrophobicContact CG-CG 4.19Å; F26-E57 PolarHBondContact N-OE2 2.88Å; F26-T60 HydrophobicContact CZ-CG2 3.87Å; F26-T60 WeakPolarHBondContact CZ-OG1 3.24Å
27P98.3Very high97.7Very high43 Ų4378.9 Ų78.928%0.27939%0.393SS..  trans-8283.7-167.833.2-38000112.6S19 G29 R30 V31S19-P27 WeakPolarHBondContact OG-CA 3.3Å; P27-G29 PolarHBondContact O-N 3.29Å; P27-R30 HydrophobicContact CB-CB 3.83Å; P27-R30 HydrophobicContact CG-CB 3.93Å; P27-R30 WeakPolarHBondContact O-CA 3.18Å; P27-R30 WeakPolarHBondContact O-CB 3.32Å; P27-R30 PolarHBondContact O-N 2.87Å; P27-V31 PolarHBondContact O-N 3.36Å
28V98.6Very high97.8Very high0 Ų077.5 Ų77.50%039%0.389CS..Hα-helixtrans-46.4-40.6174.11770000112.1R18 S19 L24 F26 R30 V31 H32 P49 V50 A53R18-V28 HydrophobicContact CB-CB 4.08Å; R18-V28 HydrophobicContact CB-CG1 3.85Å; S19-V28 PolarHBondContact OG-N 3.27Å; L24-V28 HydrophobicContact CD1-CG2 3.81Å; F26-V28 PolarHBondContact O-N 3.01Å; V28-R30 PolarHBondContact O-N 3.28Å; V28-V31 PolarHBondContact O-N 3.2Å; V28-H32 PolarHBondContact O-N 3.27Å; V28-P49 HydrophobicContact CG1-CB 4.17Å; V28-P49 HydrophobicContact CG1-CG 4.39Å; V28-V50 HydrophobicContact CG1-CG2 3.72Å; V28-A53 HydrophobicContact CG2-CB 3.86Å
29G98Very high97.8Very high35 Ų3579.4 Ų79.436%0.36141%0.406SS..Hα-helixtrans-59.4-44.6177.700000113.4P27 R33P27-G29 PolarHBondContact O-N 3.29Å; G29-R33 PolarHBondContact O-N 3.1Å
30R98.4Very high97.6Very high146 Ų14687.3 Ų87.355%0.55144%0.435SS*.Hα-helixtrans-70.9-43.8179.3-173.5-176.2-62.6153.31.8110.7P27 V28 H32 R33 L34P27-R30 HydrophobicContact CB-CB 3.83Å; P27-R30 HydrophobicContact CG-CB 3.93Å; P27-R30 WeakPolarHBondContact O-CA 3.18Å; P27-R30 WeakPolarHBondContact O-CB 3.32Å; P27-R30 PolarHBondContact O-N 2.87Å; V28-R30 PolarHBondContact O-N 3.28Å; R30-H32 VanDerWaalsContact C-N 3.33Å; R30-H32 PolarHBondContact O-N 2.92Å; R30-R33 PolarHBondContact O-N 3.26Å; R30-L34 HydrophobicContact CG-CD1 4.18Å; R30-L34 WeakPolarHBondContact O-CG 3.41Å; R30-L34 PolarHBondContact O-N 2.95Å
31V98.4Very high97.6Very high19 Ų1987 Ų8712%0.11544%0.436CS..Hα-helixtrans-57.5-46.1176.2177.10000110.5P27 V28 R33 L34 L35 P49 M52 A53P27-V31 PolarHBondContact O-N 3.36Å; V28-V31 PolarHBondContact O-N 3.2Å; V31-R33 VanDerWaalsContact C-N 3.34Å; V31-R33 PolarHBondContact O-N 3.34Å; V31-L34 PolarHBondContact O-N 3.4Å; V31-L35 HydrophobicContact CG1-CD1 3.97Å; V31-L35 HydrophobicContact CG1-CG 4.22Å; V31-L35 WeakPolarHBondContact O-CG 3.45Å; V31-L35 PolarHBondContact O-N 3.38Å; V31-P49 HydrophobicContact CB-CB 4.31Å; V31-P49 HydrophobicContact CG1-CB 4.09Å; V31-M52 HydrophobicContact CG1-CB 3.94Å; V31-M52 HydrophobicContact CG1-CG 3.82Å; V31-A53 HydrophobicContact CG2-CB 4.2Å
32H98.3Very high97.6Very high33 Ų3387.9 Ų87.915%0.15345%0.448CS..Hα-helixtrans-57.8-44.9176.4-173-148.4000113R18 V28 R30 L34 L35 R36 P49R18-H32 PolarHBondContact NH1-ND1 3.28Å; R18-H32 VanDerWaalsContact NH1-ND1 3.13Å; R18-H32 PolarHBondContact NH2-ND1 3.24Å; R18-H32 VanDerWaalsContact NH2-ND1 3.18Å; V28-H32 PolarHBondContact O-N 3.27Å; R30-H32 VanDerWaalsContact C-N 3.33Å; R30-H32 PolarHBondContact O-N 2.92Å; H32-L34 VanDerWaalsContact C-N 3.34Å; H32-L35 PolarHBondContact O-N 2.96Å; H32-R36 PolarHBondContact CE1-NE 3.34Å; H32-R36 PolarHBondContact NE2-NE 3.15Å; H32-R36 PolarHBondContact O-N 3.34Å; H32-R36 VanDerWaalsContact O-N 3.15Å; H32-P49 HydrophobicContact CB-CB 3.6Å; H32-P49 HydrophobicContact CB-CG 3.73Å
33R98.1Very high97.6Very high170 Ų17096.5 Ų96.564%0.64247%0.472SS*.Hα-helixtrans-62.9-42.4178.1-176-17867.3176.72.6111.2G29 R30 V31 R36 K37G29-R33 PolarHBondContact O-N 3.1Å; R30-R33 PolarHBondContact O-N 3.26Å; V31-R33 VanDerWaalsContact C-N 3.34Å; V31-R33 PolarHBondContact O-N 3.34Å; R33-R36 PolarHBondContact O-N 2.92Å; R33-K37 WeakPolarHBondContact O-CB 3.44Å; R33-K37 PolarHBondContact O-N 3.42Å
34L98.3Very high97.6Very high94 Ų9494.5 Ų94.549%0.49245%0.447SS..Hα-helixtrans-68.5-40.8178.9-68.7175.3000112.3R30 V31 H32 R36 K37 G38R30-L34 HydrophobicContact CG-CD1 4.18Å; R30-L34 WeakPolarHBondContact O-CG 3.41Å; R30-L34 PolarHBondContact O-N 2.95Å; V31-L34 PolarHBondContact O-N 3.4Å; H32-L34 VanDerWaalsContact C-N 3.34Å; L34-R36 VanDerWaalsContact C-N 3.29Å; L34-R36 PolarHBondContact O-N 2.85Å; L34-K37 PolarHBondContact O-N 2.98Å; L34-G38 PolarHBondContact O-N 3.5Å
35L97.9Very high97.5Very high30 Ų3095.4 Ų95.416%0.15746%0.462CS..Hα-helixtrans-59.1-40.9174.9-72.3173.1000111.9V31 H32 Y40 V44 A48 P49V31-L35 HydrophobicContact CG1-CD1 3.97Å; V31-L35 HydrophobicContact CG1-CG 4.22Å; V31-L35 WeakPolarHBondContact O-CG 3.45Å; V31-L35 PolarHBondContact O-N 3.38Å; H32-L35 PolarHBondContact O-N 2.96Å; L35-Y40 HydrophobicContact CD2-CD2 4.01Å; L35-Y40 HydrophobicContact CD2-CE2 4.24Å; L35-Y40 WeakPolarHBondContact O-CD2 3.24Å; L35-V44 HydrophobicContact CB-CG1 4.13Å; L35-V44 HydrophobicContact CB-CG2 4.35Å; L35-V44 HydrophobicContact CD1-CG1 4.17Å; L35-A48 HydrophobicContact CD1-CB 4.5Å; L35-P49 HydrophobicContact CD1-CB 4.13Å
36R96.8Very high97.4Very high135 Ų13591.4 Ų91.451%0.50946%0.458SS..Hα-helixtrans-68-42.7174.3-73-176176.3-97.7-4.7112.5H32 R33 L34 G38 N39 V44H32-R36 PolarHBondContact CE1-NE 3.34Å; H32-R36 PolarHBondContact NE2-NE 3.15Å; H32-R36 PolarHBondContact O-N 3.34Å; H32-R36 VanDerWaalsContact O-N 3.15Å; R33-R36 PolarHBondContact O-N 2.92Å; L34-R36 VanDerWaalsContact C-N 3.29Å; L34-R36 PolarHBondContact O-N 2.85Å; R36-G38 VanDerWaalsContact C-N 3.27Å; R36-G38 PolarHBondContact O-N 2.97Å; R36-N39 PolarHBondContact O-N 2.87Å; R36-N39 PolarHBondContact O-OD1 2.92Å; R36-V44 HydrophobicContact CG-CB 4.3Å; R36-V44 HydrophobicContact CG-CG2 4.08Å
37K97.6Very high97.3Very high170 Ų17090.8 Ų90.874%0.73947%0.468SS*.Hα-helixtrans-64.1-32.9178.1-173.9179.9177.4-175.60112.3R33 L34 N39R33-K37 WeakPolarHBondContact O-CB 3.44Å; R33-K37 PolarHBondContact O-N 3.42Å; L34-K37 PolarHBondContact O-N 2.98Å; K37-N39 PolarHBondContact O-N 3.44Å
38G97.4Very high97.3Very high35 Ų3590.9 Ų90.936%0.36147%0.473SS..THydrogen-bonded Turntrans-74.8-6.1179.200000114.8L34 R36 Y40L34-G38 PolarHBondContact O-N 3.5Å; R36-G38 VanDerWaalsContact C-N 3.27Å; R36-G38 PolarHBondContact O-N 2.97Å; G38-Y40 PolarHBondContact O-N 3.48Å; G38-Y40 VanDerWaalsContact O-N 3.11Å
39N95.9Very high97.3Very high136 Ų13690.9 Ų90.973%0.72747%0.473SS*.THydrogen-bonded Turntrans50.134.8-179.9-63.2-27.4000114R36 K37 A41R36-N39 PolarHBondContact O-N 2.87Å; R36-N39 PolarHBondContact O-OD1 2.92Å; K37-N39 PolarHBondContact O-N 3.44Å; N39-A41 PolarHBondContact O-N 2.81Å
40Y95.3Very high97.4Very high181 Ų18191.6 Ų91.671%0.7147%0.47SS*.  trans-68.5-19.1-177.5-59.8-69.2000114L35 G38L35-Y40 HydrophobicContact CD2-CD2 4.01Å; L35-Y40 HydrophobicContact CD2-CE2 4.24Å; L35-Y40 WeakPolarHBondContact O-CD2 3.24Å; G38-Y40 PolarHBondContact O-N 3.48Å; G38-Y40 VanDerWaalsContact O-N 3.11Å
41A96.1Very high97.4Very high60 Ų6092.7 Ų92.750%0.49648%0.475SS..SBendtrans-160.3157.2175.900000109.6N39 R43N39-A41 PolarHBondContact O-N 2.81Å; A41-R43 PolarHBondContact O-N 2.95Å
42E96.3Very high97.4Very high198 Ų19895.5 Ų95.593%0.92549%0.488SS*.SBendtrans-59.2-36.6174.7-63.6-178.6174.300112.4
43R97.4Very high97.4Very high224 Ų22494 Ų9485%0.84548%0.481SS*.  trans-129.8128.1-179.9-61.7179.273.9164.53.8110.2A41A41-R43 PolarHBondContact O-N 2.95Å
44V97Very high97.4Very high23 Ų2387.6 Ų87.614%0.13947%0.465CS..  trans-103.1111.5172-178.90000108.6L35 R36 A48L35-V44 HydrophobicContact CB-CG1 4.13Å; L35-V44 HydrophobicContact CB-CG2 4.35Å; L35-V44 HydrophobicContact CD1-CG1 4.17Å; R36-V44 HydrophobicContact CG-CB 4.3Å; R36-V44 HydrophobicContact CG-CG2 4.08Å; V44-A48 HydrophobicContact CG1-CB 4.08Å
45G97.2Very high97.4Very high45 Ų4585.5 Ų85.546%0.46446%0.456SS..  trans-64.5153.3177.100000112.6G47 A48 P49G45-G47 VanDerWaalsContact C-N 3.26Å; G45-G47 PolarHBondContact O-N 2.9Å; G45-A48 WeakPolarHBondContact O-CB 3.38Å; G45-A48 PolarHBondContact O-N 3.39Å; G45-P49 WeakPolarHBondContact O-CD 3.45Å
46A95.2Very high97.5Very high82 Ų8287.7 Ų87.768%0.67847%0.467SS*.THydrogen-bonded Turntrans-63.8-29.6-175.100000113.7P49A46-P49 WeakPolarHBondContact O-CD 3.42Å; A46-P49 WeakPolarHBondContact O-CG 3.46Å
47G97.7Very high97.6Very high48 Ų4883 Ų8350%0.49545%0.451SS..THydrogen-bonded Turntrans-77.5-26.817700000114.3G45 V50 Y51G45-G47 VanDerWaalsContact C-N 3.26Å; G45-G47 PolarHBondContact O-N 2.9Å; G47-V50 WeakPolarHBondContact O-CB 3.34Å; G47-V50 PolarHBondContact O-N 2.77Å; G47-Y51 PolarHBondContact O-N 3.42Å
48A98.3Very high97.6Very high45 Ų4581.6 Ų81.637%0.37244%0.442SS..Hα-helixtrans-53.8-48.8-179.100000114L35 V44 G45 V50 Y51 M52L35-A48 HydrophobicContact CD1-CB 4.5Å; V44-A48 HydrophobicContact CG1-CB 4.08Å; G45-A48 WeakPolarHBondContact O-CB 3.38Å; G45-A48 PolarHBondContact O-N 3.39Å; A48-V50 VanDerWaalsContact C-N 3.29Å; A48-V50 PolarHBondContact O-N 3.26Å; A48-Y51 PolarHBondContact O-N 3.04Å; A48-M52 WeakPolarHBondContact O-CB 3.3Å; A48-M52 PolarHBondContact O-N 2.74Å
49P98.5Very high97.6Very high0 Ų082.4 Ų82.40%044%0.438CS..Hα-helixtrans-69.8-23.1176.428.4-37.7000114.4V28 V31 H32 L35 G45 A46 A53V28-P49 HydrophobicContact CG1-CB 4.17Å; V28-P49 HydrophobicContact CG1-CG 4.39Å; V31-P49 HydrophobicContact CB-CB 4.31Å; V31-P49 HydrophobicContact CG1-CB 4.09Å; H32-P49 HydrophobicContact CB-CB 3.6Å; H32-P49 HydrophobicContact CB-CG 3.73Å; L35-P49 HydrophobicContact CD1-CB 4.13Å; G45-P49 WeakPolarHBondContact O-CD 3.45Å; A46-P49 WeakPolarHBondContact O-CD 3.42Å; A46-P49 WeakPolarHBondContact O-CG 3.46Å; P49-A53 WeakPolarHBondContact O-CB 3.1Å; P49-A53 PolarHBondContact O-N 3.23Å; P49-A53 VanDerWaalsContact O-N 3.14Å
50V98.6Very high97.8Very high49 Ų4978.5 Ų78.530%0.29742%0.419SS..Hα-helixtrans-72.6-51.1175.3179.70000109A22 L24 V28 G47 A48 M52 A53 A54A22-V50 HydrophobicContact CB-CG1 3.84Å; L24-V50 HydrophobicContact CD1-CG1 4.24Å; V28-V50 HydrophobicContact CG1-CG2 3.72Å; G47-V50 WeakPolarHBondContact O-CB 3.34Å; G47-V50 PolarHBondContact O-N 2.77Å; A48-V50 VanDerWaalsContact C-N 3.29Å; A48-V50 PolarHBondContact O-N 3.26Å; V50-M52 PolarHBondContact O-N 2.9Å; V50-A53 PolarHBondContact O-N 3.27Å; V50-A54 WeakPolarHBondContact O-CB 3.34Å; V50-A54 PolarHBondContact O-N 3.21Å
51Y98.7Very high97.9Very high170 Ų17072.4 Ų72.467%0.66741%0.406SS*.Hα-helixtrans-57.6-50.6177.2-178.8-95.9000111.7G47 A48 A53 A54 V55G47-Y51 PolarHBondContact O-N 3.42Å; A48-Y51 PolarHBondContact O-N 3.04Å; Y51-A53 VanDerWaalsContact C-N 3.34Å; Y51-A53 PolarHBondContact O-N 3.08Å; Y51-A54 WeakPolarHBondContact O-CB 3.31Å; Y51-A54 PolarHBondContact O-N 2.96Å; Y51-V55 HydrophobicContact CD1-CG2 4.26Å; Y51-V55 HydrophobicContact CE1-CG2 3.83Å; Y51-V55 HydrophobicContact CE2-CG2 4.31Å; Y51-V55 WeakPolarHBondContact O-CG2 3.45Å; Y51-V55 PolarHBondContact O-N 3.47Å
52M98.4Very high98Very high78 Ų7872.2 Ų72.238%0.38440%0.395SS..Hα-helixtrans-61.3-41.7178.9-178.560.269.400112V31 A48 V50 L56V31-M52 HydrophobicContact CG1-CB 3.94Å; V31-M52 HydrophobicContact CG1-CG 3.82Å; A48-M52 WeakPolarHBondContact O-CB 3.3Å; A48-M52 PolarHBondContact O-N 2.74Å; V50-M52 PolarHBondContact O-N 2.9Å; M52-L56 HydrophobicContact CG-CD1 4.08Å; M52-L56 WeakPolarHBondContact O-CB 3.34Å; M52-L56 VanDerWaalsContact O-CG 3.23Å; M52-L56 WeakPolarHBondContact O-CG 3.43Å; M52-L56 PolarHBondContact O-N 2.84Å; M52-L56 VanDerWaalsContact O-N 3.09Å; M52-L56 HydrophobicContact SD-CD1 4.24Å; M52-L56 HydrophobicContact SD-CG 4.23Å
53A98.7Very high98.1Very high0 Ų064.4 Ų64.40%036%0.359CS..Hα-helixtrans-63.7-41.1176.100000112.1L24 F26 V28 V31 P49 V50 Y51 L56 E57L24-A53 HydrophobicContact CD1-CB 3.93Å; F26-A53 HydrophobicContact CB-CB 4.24Å; V28-A53 HydrophobicContact CG2-CB 3.86Å; V31-A53 HydrophobicContact CG2-CB 4.2Å; P49-A53 WeakPolarHBondContact O-CB 3.1Å; P49-A53 PolarHBondContact O-N 3.23Å; P49-A53 VanDerWaalsContact O-N 3.14Å; V50-A53 PolarHBondContact O-N 3.27Å; Y51-A53 VanDerWaalsContact C-N 3.34Å; Y51-A53 PolarHBondContact O-N 3.08Å; A53-L56 PolarHBondContact O-N 3.18Å; A53-E57 VanDerWaalsContact O-CB 3.3Å; A53-E57 WeakPolarHBondContact O-CB 3.2Å; A53-E57 PolarHBondContact O-N 2.83Å
54A98.8Very high98.2Very high37 Ų3758 Ų5831%0.30634%0.341SS..Hα-helixtrans-62.9-45.8178.100000112.1L24 V50 Y51 L56 E57 Y58L24-A54 HydrophobicContact CD1-CB 4.05Å; L24-A54 HydrophobicContact CD2-CB 3.89Å; V50-A54 WeakPolarHBondContact O-CB 3.34Å; V50-A54 PolarHBondContact O-N 3.21Å; Y51-A54 WeakPolarHBondContact O-CB 3.31Å; Y51-A54 PolarHBondContact O-N 2.96Å; A54-L56 PolarHBondContact O-N 3.37Å; A54-E57 PolarHBondContact O-N 3.49Å; A54-Y58 WeakPolarHBondContact O-CB 3.31Å; A54-Y58 PolarHBondContact O-N 3.34Å
55V98.6Very high98.3Very high50 Ų5062.6 Ų62.630%0.30336%0.361SS..Hα-helixtrans-62.5-44.5177.81730000111.2Y51 E57 Y58 L59Y51-V55 HydrophobicContact CD1-CG2 4.26Å; Y51-V55 HydrophobicContact CE1-CG2 3.83Å; Y51-V55 HydrophobicContact CE2-CG2 4.31Å; Y51-V55 WeakPolarHBondContact O-CG2 3.45Å; Y51-V55 PolarHBondContact O-N 3.47Å; V55-E57 VanDerWaalsContact C-N 3.34Å; V55-E57 PolarHBondContact O-N 3.15Å; V55-Y58 PolarHBondContact O-N 2.7Å; V55-L59 HydrophobicContact CG1-CD1 4.02Å; V55-L59 WeakPolarHBondContact O-CG 3.27Å; V55-L59 PolarHBondContact O-N 3.21Å
56L98.7Very high98.3Very high75 Ų7562.7 Ų62.739%0.39335%0.351SS..Hα-helixtrans-64.4-39.4177.4-69.1172.7000112.1F26 M52 A53 A54 T60F26-L56 HydrophobicContact CD2-CB 3.75Å; F26-L56 VanDerWaalsContact CE2-C 3.47Å; F26-L56 HydrophobicContact CE2-CB 3.8Å; F26-L56 WeakPolarHBondContact CE2-O 3.06Å; M52-L56 HydrophobicContact CG-CD1 4.08Å; M52-L56 WeakPolarHBondContact O-CB 3.34Å; M52-L56 VanDerWaalsContact O-CG 3.23Å; M52-L56 WeakPolarHBondContact O-CG 3.43Å; M52-L56 PolarHBondContact O-N 2.84Å; M52-L56 VanDerWaalsContact O-N 3.09Å; M52-L56 HydrophobicContact SD-CD1 4.24Å; M52-L56 HydrophobicContact SD-CG 4.23Å; A53-L56 PolarHBondContact O-N 3.18Å; A54-L56 PolarHBondContact O-N 3.37Å; L56-T60 VanDerWaalsContact O-CB 3.3Å; L56-T60 WeakPolarHBondContact O-CB 3.29Å; L56-T60 PolarHBondContact O-N 3.2Å; L56-T60 PolarHBondContact O-OG1 3.46Å
57E98.7Very high98.5Very high38 Ų3858.8 Ų58.818%0.17832%0.319CS..Hα-helixtrans-64.8-48.1176.9-175.7166.1146.900111.2L24 Q25 F26 A53 A54 V55 T60 A61L24-E57 WeakPolarHBondContact CA-OE2 3.32Å; L24-E57 WeakPolarHBondContact CB-OE2 3.48Å; Q25-E57 PolarHBondContact N-OE1 3.13Å; Q25-E57 PolarHBondContact N-OE2 3.05Å; F26-E57 HydrophobicContact CB-CB 4.09Å; F26-E57 WeakPolarHBondContact CB-OE2 3.38Å; F26-E57 HydrophobicContact CD1-CB 3.8Å; F26-E57 HydrophobicContact CD1-CG 3.81Å; F26-E57 HydrophobicContact CD2-CB 3.98Å; F26-E57 HydrophobicContact CE1-CB 4.24Å; F26-E57 HydrophobicContact CE1-CG 4.19Å; F26-E57 HydrophobicContact CE2-CB 4.4Å; F26-E57 HydrophobicContact CG-CB 3.68Å; F26-E57 HydrophobicContact CG-CG 4.19Å; F26-E57 PolarHBondContact N-OE2 2.88Å; A53-E57 VanDerWaalsContact O-CB 3.3Å; A53-E57 WeakPolarHBondContact O-CB 3.2Å; A53-E57 PolarHBondContact O-N 2.83Å; A54-E57 PolarHBondContact O-N 3.49Å; V55-E57 VanDerWaalsContact C-N 3.34Å; V55-E57 PolarHBondContact O-N 3.15Å; E57-T60 PolarHBondContact O-N 2.76Å; E57-A61 WeakPolarHBondContact O-CB 3.27Å; E57-A61 PolarHBondContact O-N 3.3Å
58Y98.2Very high98.6Very high140 Ų14057.9 Ų57.955%0.54931%0.309SS..Hα-helixtrans-56.1-54.3176.9171-100.6000111.8A54 V55 T60 A61 E62A54-Y58 WeakPolarHBondContact O-CB 3.31Å; A54-Y58 PolarHBondContact O-N 3.34Å; V55-Y58 PolarHBondContact O-N 2.7Å; Y58-T60 VanDerWaalsContact C-N 3.28Å; Y58-T60 PolarHBondContact O-N 2.95Å; Y58-A61 PolarHBondContact O-N 2.98Å; Y58-E62 PolarHBondContact O-N 2.83Å
59L98.3Very high98.6Very high52 Ų5258.1 Ų58.127%0.27230%0.304SS..Hα-helixtrans-61.5-37.7179.8-69.5172.8000112.2V55 I63 L97V55-L59 HydrophobicContact CG1-CD1 4.02Å; V55-L59 WeakPolarHBondContact O-CG 3.27Å; V55-L59 PolarHBondContact O-N 3.21Å; L59-I63 WeakPolarHBondContact O-CD1 3.45Å; L59-I63 VanDerWaalsContact O-CG1 3.29Å; L59-I63 WeakPolarHBondContact O-CG1 3.3Å; L59-I63 PolarHBondContact O-N 3.17Å; L59-L97 HydrophobicContact CD1-CD2 4.4Å; L59-L97 HydrophobicContact CD2-CD2 3.82Å
60T98.6Very high98.6Very high53 Ų5358.8 Ų58.833%0.32531%0.309SS..Hα-helixtrans-69.2-42.4178-570000111.2F26 L56 E57 Y58 I63 L64F26-T60 HydrophobicContact CZ-CG2 3.87Å; F26-T60 WeakPolarHBondContact CZ-OG1 3.24Å; L56-T60 VanDerWaalsContact O-CB 3.3Å; L56-T60 WeakPolarHBondContact O-CB 3.29Å; L56-T60 PolarHBondContact O-N 3.2Å; L56-T60 PolarHBondContact O-OG1 3.46Å; E57-T60 PolarHBondContact O-N 2.76Å; Y58-T60 VanDerWaalsContact C-N 3.28Å; Y58-T60 PolarHBondContact O-N 2.95Å; T60-I63 PolarHBondContact O-N 3.12Å; T60-L64 HydrophobicContact CG2-CD1 3.69Å; T60-L64 HydrophobicContact CG2-CG 4.11Å; T60-L64 WeakPolarHBondContact O-CB 3.3Å; T60-L64 WeakPolarHBondContact O-CG 3.3Å; T60-L64 PolarHBondContact O-N 3.43Å
61A98.4Very high98.6Very high53 Ų5356.6 Ų56.644%0.43830%0.297SS..Hα-helixtrans-59.8-47.9178.200000111E57 Y58 I63 L64 E65E57-A61 WeakPolarHBondContact O-CB 3.27Å; E57-A61 PolarHBondContact O-N 3.3Å; Y58-A61 PolarHBondContact O-N 2.98Å; A61-I63 PolarHBondContact O-N 2.88Å; A61-L64 PolarHBondContact O-N 2.75Å; A61-E65 WeakPolarHBondContact O-CB 3.32Å; A61-E65 PolarHBondContact O-N 3.35Å
62E98.4Very high98.6Very high56 Ų5656.2 Ų56.226%0.26229%0.294SS..Hα-helixtrans-58.1-50.1178.7-169.261.2-144.900111.9Y58 L64 E65 L66 L94Y58-E62 PolarHBondContact O-N 2.83Å; E62-L64 VanDerWaalsContact C-N 3.32Å; E62-L64 PolarHBondContact O-N 2.79Å; E62-E65 PolarHBondContact O-N 3.02Å; E62-L66 WeakPolarHBondContact O-CG 3.02Å; E62-L66 PolarHBondContact O-N 3.3Å; E62-L66 VanDerWaalsContact O-N 3.15Å; E62-L94 HydrophobicContact CG-CD1 4.27Å
63I98.7Very high98.5Very high35 Ų3557.8 Ų57.818%0.17930%0.304CS..Hα-helixtrans-61.9-41.3178.6-67.7167.2000111.1L59 T60 A61 A67 L84 I88 L94 L98L59-I63 WeakPolarHBondContact O-CD1 3.45Å; L59-I63 VanDerWaalsContact O-CG1 3.29Å; L59-I63 WeakPolarHBondContact O-CG1 3.3Å; L59-I63 PolarHBondContact O-N 3.17Å; T60-I63 PolarHBondContact O-N 3.12Å; A61-I63 PolarHBondContact O-N 2.88Å; I63-A67 WeakPolarHBondContact O-CB 3.05Å; I63-A67 PolarHBondContact O-N 2.91Å; I63-L84 HydrophobicContact CG2-CD2 3.73Å; I63-I88 HydrophobicContact CG1-CG1 4.49Å; I63-I88 HydrophobicContact CG2-CD1 4.23Å; I63-I88 HydrophobicContact CG2-CG1 4.36Å; I63-L94 HydrophobicContact CD1-CD2 4.23Å; I63-L94 HydrophobicContact CG1-CD1 3.85Å; I63-L94 HydrophobicContact CG1-CD2 3.81Å; I63-L94 HydrophobicContact CG1-CG 4.48Å; I63-L98 HydrophobicContact CD1-CD1 4.22Å
64L98.6Very high98.4Very high89 Ų8961.4 Ų61.447%0.46632%0.323SS..Hα-helixtrans-72.1-34.2-178.9-72.2179000112.8T60 A61 E62 G68 I79T60-L64 HydrophobicContact CG2-CD1 3.69Å; T60-L64 HydrophobicContact CG2-CG 4.11Å; T60-L64 WeakPolarHBondContact O-CB 3.3Å; T60-L64 WeakPolarHBondContact O-CG 3.3Å; T60-L64 PolarHBondContact O-N 3.43Å; A61-L64 PolarHBondContact O-N 2.75Å; E62-L64 VanDerWaalsContact C-N 3.32Å; E62-L64 PolarHBondContact O-N 2.79Å; L64-G68 WeakPolarHBondContact O-CA 3.35Å; L64-G68 PolarHBondContact O-N 3.18Å; L64-I79 HydrophobicContact CD2-CD1 4.05Å
65E98.6Very high98.4Very high120 Ų12069 Ų6956%0.56135%0.349SS*.Hα-helixtrans-62.4-55174.7175.1165.8-161.700110.6A61 E62 A67 G68 N69A61-E65 WeakPolarHBondContact O-CB 3.32Å; A61-E65 PolarHBondContact O-N 3.35Å; E62-E65 PolarHBondContact O-N 3.02Å; E65-A67 PolarHBondContact O-N 3.06Å; E65-G68 PolarHBondContact O-N 2.99Å; E65-G68 VanDerWaalsContact O-N 3.15Å; E65-N69 PolarHBondContact O-N 3.04Å; E65-N69 PolarHBondContact O-ND2 2.89Å
66L98.7Very high98.4Very high47 Ų4772.7 Ų72.725%0.24636%0.361CS..Hα-helixtrans-63.6-41.3179.8-64.1177.8000112E62 G68 N69 A70 A87 D91 L94E62-L66 WeakPolarHBondContact O-CG 3.02Å; E62-L66 PolarHBondContact O-N 3.3Å; E62-L66 VanDerWaalsContact O-N 3.15Å; L66-G68 VanDerWaalsContact C-N 3.31Å; L66-G68 PolarHBondContact O-N 3.49Å; L66-N69 PolarHBondContact O-N 3.31Å; L66-A70 PolarHBondContact O-N 3.28Å; L66-A87 HydrophobicContact CB-CB 3.66Å; L66-D91 HydrophobicContact CD1-CB 3.95Å; L66-L94 HydrophobicContact CD1-CD1 3.81Å
67A98.8Very high98.3Very high0 Ų076.7 Ų76.70%039%0.389CS..Hα-helixtrans-68.9-31.517600000112.4I63 E65 A71 I79 H83 L84 A87I63-A67 WeakPolarHBondContact O-CB 3.05Å; I63-A67 PolarHBondContact O-N 2.91Å; E65-A67 PolarHBondContact O-N 3.06Å; A67-A71 WeakPolarHBondContact O-CB 3.41Å; A67-A71 PolarHBondContact O-N 3.46Å; A67-I79 HydrophobicContact CB-CD1 4.13Å; A67-I79 HydrophobicContact CB-CG1 4.43Å; A67-I79 HydrophobicContact CB-CG2 3.99Å; A67-H83 HydrophobicContact CB-CB 4.44Å; A67-L84 HydrophobicContact CB-CD2 3.83Å; A67-A87 HydrophobicContact CB-CB 4.03Å
68G98.8Very high98.3Very high28 Ų2884 Ų8429%0.28942%0.415SS..Hα-helixtrans-64.3-44.917200000111.8L64 E65 L66 A71 R72L64-G68 WeakPolarHBondContact O-CA 3.35Å; L64-G68 PolarHBondContact O-N 3.18Å; E65-G68 PolarHBondContact O-N 2.99Å; E65-G68 VanDerWaalsContact O-N 3.15Å; L66-G68 VanDerWaalsContact C-N 3.31Å; L66-G68 PolarHBondContact O-N 3.49Å; G68-A71 PolarHBondContact O-N 2.88Å; G68-R72 PolarHBondContact O-N 3.43Å
69N98.6Very high98.4Very high51 Ų5180.4 Ų80.427%0.27341%0.405SS..Hα-helixtrans-58.5-50.7172.6-70.4-29.3000110.9E65 L66 A71 R72 D73E65-N69 PolarHBondContact O-N 3.04Å; E65-N69 PolarHBondContact O-ND2 2.89Å; L66-N69 PolarHBondContact O-N 3.31Å; N69-A71 VanDerWaalsContact C-N 3.28Å; N69-A71 PolarHBondContact O-N 3.44Å; N69-R72 WeakPolarHBondContact O-CB 3.41Å; N69-R72 PolarHBondContact O-N 3.18Å; N69-R72 VanDerWaalsContact O-N 3.1Å; N69-R72 PolarHBondContact OD1-NH2 3.09Å; N69-D73 VanDerWaalsContact O-CG 3.24Å; N69-D73 PolarHBondContact O-N 2.83Å
70A98.4Very high98.4Very high13 Ų1381.7 Ų81.711%0.10741%0.411CS..Hα-helixtrans-60.8-34.4177.900000113.4L66 N74 H83 L86L66-A70 PolarHBondContact O-N 3.28Å; A70-N74 PolarHBondContact O-N 3.17Å; A70-N74 PolarHBondContact O-ND2 3.03Å; A70-H83 HydrophobicContact CB-CB 4.24Å; A70-L86 HydrophobicContact CB-CB 4.34Å
71A98.8Very high98.4Very high4 Ų481.8 Ų81.83%0.03341%0.412CS..Hα-helixtrans-66-45.3174.600000111.8A67 G68 N69 N74 K75 K76 I79 H83A67-A71 WeakPolarHBondContact O-CB 3.41Å; A67-A71 PolarHBondContact O-N 3.46Å; G68-A71 PolarHBondContact O-N 2.88Å; N69-A71 VanDerWaalsContact C-N 3.28Å; N69-A71 PolarHBondContact O-N 3.44Å; A71-N74 CarbonylContact O-C 3.59Å; A71-N74 PolarHBondContact O-N 2.86Å; A71-K75 PolarHBondContact O-N 3.38Å; A71-K76 CarbonylContact C-O 3.51Å; A71-K76 VanDerWaalsContact C-O 3.31Å; A71-K76 WeakPolarHBondContact O-CA 3.44Å; A71-K76 PolarHBondContact O-N 3.38Å; A71-K76 VanDerWaalsContact O-O 3.06Å; A71-I79 HydrophobicContact CB-CG1 4.24Å; A71-H83 VanDerWaalsContact CA-CE1 3.45Å; A71-H83 WeakPolarHBondContact CA-CE1 3.43Å; A71-H83 WeakPolarHBondContact CA-ND1 3.39Å; A71-H83 WeakPolarHBondContact CB-ND1 3.33Å
72R98.5Very high98.4Very high161 Ų16182.2 Ų82.261%0.60840%0.403SS*.Hα-helixtrans-61.9-42.8177.9-175.9178.964-143.5-9111.6G68 N69 N74 K75G68-R72 PolarHBondContact O-N 3.43Å; N69-R72 WeakPolarHBondContact O-CB 3.41Å; N69-R72 PolarHBondContact O-N 3.18Å; N69-R72 VanDerWaalsContact O-N 3.1Å; N69-R72 PolarHBondContact OD1-NH2 3.09Å; R72-N74 VanDerWaalsContact C-N 3.26Å; R72-N74 PolarHBondContact O-N 2.95Å; R72-K75 WeakPolarHBondContact O-CA 3.48Å; R72-K75 PolarHBondContact O-N 3.46Å
73D97.6Very high98.4Very high112 Ų11279.7 Ų79.760%0.59939%0.391SS*.Hα-helixtrans-63.1-35.3178.8-63.4-15.5000111.6N69 K75N69-D73 VanDerWaalsContact O-CG 3.24Å; N69-D73 PolarHBondContact O-N 2.83Å; D73-K75 PolarHBondContact O-N 3.18Å
74N97Very high98.4Very high75 Ų7580.4 Ų80.440%0.40140%0.395SS..THydrogen-bonded Turntrans-80.111.6171.9-68-30.8000113.8A70 A71 R72 K76 H83A70-N74 PolarHBondContact O-N 3.17Å; A70-N74 PolarHBondContact O-ND2 3.03Å; A71-N74 CarbonylContact O-C 3.59Å; A71-N74 PolarHBondContact O-N 2.86Å; R72-N74 VanDerWaalsContact C-N 3.26Å; R72-N74 PolarHBondContact O-N 2.95Å; N74-K76 HydrophobicContact CB-CG 4.34Å; N74-K76 WeakPolarHBondContact O-CG 3.3Å; N74-K76 PolarHBondContact O-N 3.25Å; N74-H83 PolarHBondContact ND2-CD2 3.4Å; N74-H83 VanDerWaalsContact ND2-CD2 3.27Å; N74-H83 PolarHBondContact ND2-NE2 3.25Å
75K98.1Very high98.4Very high196 Ų19676.9 Ų76.985%0.85238%0.376SS*.THydrogen-bonded Turntrans55.637.6-179.1-53.9176.6-178178.20112.4A71 R72 D73A71-K75 PolarHBondContact O-N 3.38Å; R72-K75 WeakPolarHBondContact O-CA 3.48Å; R72-K75 PolarHBondContact O-N 3.46Å; D73-K75 PolarHBondContact O-N 3.18Å
76K98.3Very high98.4Very high128 Ų12872.6 Ų72.656%0.55736%0.357SS*.  trans-116.7146.8176.6-57.6-57.6178.7-178.10110.4A71 N74A71-K76 CarbonylContact C-O 3.51Å; A71-K76 VanDerWaalsContact C-O 3.31Å; A71-K76 WeakPolarHBondContact O-CA 3.44Å; A71-K76 PolarHBondContact O-N 3.38Å; A71-K76 VanDerWaalsContact O-O 3.06Å; N74-K76 HydrophobicContact CB-CG 4.34Å; N74-K76 WeakPolarHBondContact O-CG 3.3Å; N74-K76 PolarHBondContact O-N 3.25Å
77T97.3Very high98.3Very high159 Ų15970.7 Ų70.798%0.97535%0.348SS*.SBendtrans-95.1-8.8173.954.30000113
78R98.7Very high98.3Very high193 Ų19371.2 Ų71.273%0.72835%0.351SS*.SBendtrans-114.6128.9-178.1-177.8175.3-66145.41.6110.4I80 H83R78-I80 HydrophobicContact CG-CG2 4.44Å; R78-I80 PolarHBondContact O-N 3.38Å; R78-H83 PolarHBondContact O-CE1 3.15Å; R78-H83 PolarHBondContact O-ND1 3.02Å
79I98.7Very high98.3Very high64 Ų6471.8 Ų71.833%0.32834%0.344SS..  trans-68.5127.6168.1-64.6172.4000108.6L64 A67 A71 H83 L84L64-I79 HydrophobicContact CD2-CD1 4.05Å; A67-I79 HydrophobicContact CB-CD1 4.13Å; A67-I79 HydrophobicContact CB-CG1 4.43Å; A67-I79 HydrophobicContact CB-CG2 3.99Å; A71-I79 HydrophobicContact CB-CG1 4.24Å; I79-H83 HydrophobicContact CG2-CB 4.28Å; I79-L84 HydrophobicContact CG2-CD2 4.14Å; I79-L84 HydrophobicContact CG2-CG 4.1Å
80I98.4Very high98.2Very high78 Ų7875 Ų7540%0.436%0.361SS..  trans-122.2166.8174.864.4166.3000108.9R78 R82 H83 L84R78-I80 HydrophobicContact CG-CG2 4.44Å; R78-I80 PolarHBondContact O-N 3.38Å; I80-R82 HydrophobicContact CD1-CB 3.97Å; I80-R82 HydrophobicContact CG1-CB 4.08Å; I80-R82 PolarHBondContact O-N 3.02Å; I80-H83 PolarHBondContact N-ND1 2.75Å; I80-H83 WeakPolarHBondContact O-CB 3.36Å; I80-H83 PolarHBondContact O-N 3.34Å; I80-L84 PolarHBondContact O-N 2.99Å
81P98.7Very high98.2Very high55 Ų5576.4 Ų76.436%0.35737%0.367SS..Hα-helixtrans-53.1-32.9-178.9-30.237.5000114.7H83 L84 Q85 I103 A104 Q105P81-H83 VanDerWaalsContact C-N 3.32Å; P81-H83 PolarHBondContact O-N 3.05Å; P81-L84 PolarHBondContact O-N 2.7Å; P81-Q85 PolarHBondContact O-N 3.49Å; P81-I103 HydrophobicContact CB-CG2 4.43Å; P81-A104 VanDerWaalsContact CB-O 3.3Å; P81-A104 WeakPolarHBondContact CB-O 3.42Å; P81-Q105 HydrophobicContact CB-CB 4.03Å; P81-Q105 HydrophobicContact CG-CB 4.18Å
82R98.5Very high98.2Very high62 Ų6284 Ų8423%0.23440%0.402CS..Hα-helixtrans-58.1-41.3172.6179.255.9178.3176.3-2.3113I80 Q85 L86 G106 V108I80-R82 HydrophobicContact CD1-CB 3.97Å; I80-R82 HydrophobicContact CG1-CB 4.08Å; I80-R82 PolarHBondContact O-N 3.02Å; R82-Q85 PolarHBondContact O-N 2.92Å; R82-L86 HydrophobicContact CG-CD1 4.25Å; R82-L86 WeakPolarHBondContact O-CG 3.43Å; R82-L86 PolarHBondContact O-N 3.17Å; R82-G106 WeakPolarHBondContact CD-O 3.4Å; R82-G106 PolarHBondContact NH1-O 3.36Å; R82-G106 VanDerWaalsContact NH1-O 3.07Å; R82-V108 PolarHBondContact NH1-O 3.22Å; R82-V108 PolarHBondContact NH2-O 3.03Å
83H98.7Very high98.1Very high3 Ų383.2 Ų83.21%0.01441%0.405CS..Hα-helixtrans-68.8-37.9180-55.7152.5000111.2A67 A70 A71 N74 R78 I79 I80 P81 L86 A87A67-H83 HydrophobicContact CB-CB 4.44Å; A70-H83 HydrophobicContact CB-CB 4.24Å; A71-H83 VanDerWaalsContact CA-CE1 3.45Å; A71-H83 WeakPolarHBondContact CA-CE1 3.43Å; A71-H83 WeakPolarHBondContact CA-ND1 3.39Å; A71-H83 WeakPolarHBondContact CB-ND1 3.33Å; N74-H83 PolarHBondContact ND2-CD2 3.4Å; N74-H83 VanDerWaalsContact ND2-CD2 3.27Å; N74-H83 PolarHBondContact ND2-NE2 3.25Å; R78-H83 PolarHBondContact O-CE1 3.15Å; R78-H83 PolarHBondContact O-ND1 3.02Å; I79-H83 HydrophobicContact CG2-CB 4.28Å; I80-H83 PolarHBondContact N-ND1 2.75Å; I80-H83 WeakPolarHBondContact O-CB 3.36Å; I80-H83 PolarHBondContact O-N 3.34Å; P81-H83 VanDerWaalsContact C-N 3.32Å; P81-H83 PolarHBondContact O-N 3.05Å; H83-L86 PolarHBondContact O-N 2.97Å; H83-A87 VanDerWaalsContact O-CB 3.3Å; H83-A87 WeakPolarHBondContact O-CB 3.43Å; H83-A87 PolarHBondContact O-N 3.02Å
84L98.5Very high98.2Very high50 Ų5078.2 Ų78.226%0.26238%0.378SS..Hα-helixtrans-62.4-43.7172.5-65.6173000111.5I63 A67 I79 I80 P81 A87 I88 I103I63-L84 HydrophobicContact CG2-CD2 3.73Å; A67-L84 HydrophobicContact CB-CD2 3.83Å; I79-L84 HydrophobicContact CG2-CD2 4.14Å; I79-L84 HydrophobicContact CG2-CG 4.1Å; I80-L84 PolarHBondContact O-N 2.99Å; P81-L84 PolarHBondContact O-N 2.7Å; L84-A87 PolarHBondContact O-N 2.96Å; L84-I88 HydrophobicContact CB-CD1 4.45Å; L84-I88 VanDerWaalsContact O-CB 3.31Å; L84-I88 WeakPolarHBondContact O-CB 3.4Å; L84-I88 WeakPolarHBondContact O-CG1 3.37Å; L84-I88 PolarHBondContact O-N 2.97Å; L84-I103 HydrophobicContact CB-CG2 4.47Å
85Q98.5Very high98.2Very high16 Ų1677.7 Ų77.78%0.07538%0.375CS..Hα-helixtrans-61.4-46.8176.7-178.275.820.200111.8P81 R82 R89 I103 G106 G107P81-Q85 PolarHBondContact O-N 3.49Å; R82-Q85 PolarHBondContact O-N 2.92Å; Q85-R89 HydrophobicContact CG-CG 4.3Å; Q85-R89 WeakPolarHBondContact O-CB 3.23Å; Q85-R89 VanDerWaalsContact O-CG 3.27Å; Q85-R89 WeakPolarHBondContact O-CG 3.47Å; Q85-R89 PolarHBondContact O-N 3.14Å; Q85-I103 HydrophobicContact CB-CD1 4.5Å; Q85-G106 VanDerWaalsContact CB-O 3.32Å; Q85-G106 WeakPolarHBondContact CB-O 3.43Å; Q85-G106 WeakPolarHBondContact CG-O 3.39Å; Q85-G107 VanDerWaalsContact CD-O 3.23Å; Q85-G107 WeakPolarHBondContact CG-O 3.2Å; Q85-G107 PolarHBondContact NE2-O 3.06Å
86L98.2Very high98.2Very high29 Ų2977 Ų7715%0.15237%0.372CS..Hα-helixtrans-63.1-43.6178.8-69.8176.1000111.3A70 R82 H83 N90 L109A70-L86 HydrophobicContact CB-CB 4.34Å; R82-L86 HydrophobicContact CG-CD1 4.25Å; R82-L86 WeakPolarHBondContact O-CG 3.43Å; R82-L86 PolarHBondContact O-N 3.17Å; H83-L86 PolarHBondContact O-N 2.97Å; L86-N90 VanDerWaalsContact O-CB 3.31Å; L86-N90 WeakPolarHBondContact O-CB 3.31Å; L86-N90 PolarHBondContact O-N 3.45Å; L86-N90 PolarHBondContact O-ND2 2.96Å; L86-L109 HydrophobicContact CD2-CD2 3.88Å
87A98.3Very high98.2Very high8 Ų875.9 Ų75.97%0.06637%0.372CS..Hα-helixtrans-62-55.6177.400000111.9L66 A67 H83 L84 R89 D91L66-A87 HydrophobicContact CB-CB 3.66Å; A67-A87 HydrophobicContact CB-CB 4.03Å; H83-A87 VanDerWaalsContact O-CB 3.3Å; H83-A87 WeakPolarHBondContact O-CB 3.43Å; H83-A87 PolarHBondContact O-N 3.02Å; L84-A87 PolarHBondContact O-N 2.96Å; A87-R89 PolarHBondContact O-N 3.39Å; A87-D91 PolarHBondContact O-N 3.29Å
88I98.4Very high98.2Very high10 Ų1070.1 Ų70.15%0.05134%0.335CS..Hα-helixtrans-67-35.6-173-70.6163000112.3I63 L84 L94 N95 L98 I103I63-I88 HydrophobicContact CG1-CG1 4.49Å; I63-I88 HydrophobicContact CG2-CD1 4.23Å; I63-I88 HydrophobicContact CG2-CG1 4.36Å; L84-I88 HydrophobicContact CB-CD1 4.45Å; L84-I88 VanDerWaalsContact O-CB 3.31Å; L84-I88 WeakPolarHBondContact O-CB 3.4Å; L84-I88 WeakPolarHBondContact O-CG1 3.37Å; L84-I88 PolarHBondContact O-N 2.97Å; I88-L94 HydrophobicContact CG2-CB 4.42Å; I88-N95 VanDerWaalsContact O-CA 3.3Å; I88-N95 WeakPolarHBondContact O-CA 3.36Å; I88-N95 VanDerWaalsContact O-CB 3.3Å; I88-N95 WeakPolarHBondContact O-CB 3.18Å; I88-N95 PolarHBondContact O-N 3.18Å; I88-N95 VanDerWaalsContact O-N 3.12Å; I88-L98 HydrophobicContact CD1-CD1 3.7Å; I88-L98 HydrophobicContact CG1-CD1 4Å; I88-L98 HydrophobicContact CG2-CB 3.93Å; I88-L98 HydrophobicContact CG2-CD1 3.78Å; I88-L98 HydrophobicContact CG2-CG 4.43Å; I88-I103 HydrophobicContact CB-CD1 4.3Å; I88-I103 HydrophobicContact CD1-CD1 3.59Å; I88-I103 HydrophobicContact CG2-CD1 4.46Å
89R98.1Very high98.1Very high41 Ų4163.3 Ų63.316%0.15532%0.324CS..Hα-helixtrans-85.3-23.1-176.8-60.3-53.5174.6-146.7-3.8114.5Q85 A87 N95 L98 V101 L109Q85-R89 HydrophobicContact CG-CG 4.3Å; Q85-R89 WeakPolarHBondContact O-CB 3.23Å; Q85-R89 VanDerWaalsContact O-CG 3.27Å; Q85-R89 WeakPolarHBondContact O-CG 3.47Å; Q85-R89 PolarHBondContact O-N 3.14Å; A87-R89 PolarHBondContact O-N 3.39Å; R89-N95 WeakPolarHBondContact CD-OD1 3.46Å; R89-N95 PolarHBondContact NH1-OD1 2.96Å; R89-L98 PolarHBondContact NH1-O 3Å; R89-V101 PolarHBondContact NH2-O 3.07Å; R89-L109 HydrophobicContact CB-CD1 3.61Å; R89-L109 HydrophobicContact CB-CD2 3.92Å; R89-L109 HydrophobicContact CB-CG 3.6Å; R89-L109 HydrophobicContact CG-CG 4.38Å
90N97.2Very high98Very high117 Ų11770.3 Ų70.363%0.62635%0.353SS*.Hα-helixtrans-85.4-19.2175.4-72.7-53.4000112.5L86L86-N90 VanDerWaalsContact O-CB 3.31Å; L86-N90 WeakPolarHBondContact O-CB 3.31Å; L86-N90 PolarHBondContact O-N 3.45Å; L86-N90 PolarHBondContact O-ND2 2.96Å
91D98.1Very high97.9Very high44 Ų4470.1 Ų70.124%0.23536%0.355CS..SBendtrans-88.1128.8172.6-178.9-96.4000111.4L66 A87 E93 L94 N95L66-D91 HydrophobicContact CD1-CB 3.95Å; A87-D91 PolarHBondContact O-N 3.29Å; D91-E93 PolarHBondContact OD1-N 3.35Å; D91-L94 HydrophobicContact CB-CB 4.1Å; D91-L94 HydrophobicContact CB-CD1 4.1Å; D91-L94 HydrophobicContact CB-CG 4.33Å; D91-L94 VanDerWaalsContact OD1-CB 3.27Å; D91-L94 WeakPolarHBondContact OD1-CB 3.44Å; D91-L94 VanDerWaalsContact OD1-CG 3.24Å; D91-L94 WeakPolarHBondContact OD1-CG 3.48Å; D91-L94 PolarHBondContact OD1-N 3.15Å; D91-N95 WeakPolarHBondContact O-CB 3.5Å; D91-N95 PolarHBondContact O-N 3.47Å
92E97.9Very high97.9Very high164 Ų16473.7 Ų73.777%0.76638%0.376SS*.Hα-helixtrans-65.8-46-174-174.7-178.7166.900112.3K96E92-K96 WeakPolarHBondContact O-CB 3.35Å; E92-K96 PolarHBondContact O-N 3.27Å
93E98.1Very high97.8Very high144 Ų14472.3 Ų72.367%0.67337%0.373SS*.Hα-helixtrans-71.6-46.1-174.2-61.6-166.4146.400111.2D91 K96 L97D91-E93 PolarHBondContact OD1-N 3.35Å; E93-K96 PolarHBondContact O-N 3.11Å; E93-L97 VanDerWaalsContact O-CB 3.31Å; E93-L97 WeakPolarHBondContact O-CB 3.44Å; E93-L97 PolarHBondContact O-N 2.92Å
94L98.3Very high97.8Very high6 Ų675.7 Ų75.73%0.03140%0.401CS..Hα-helixtrans-65.7-39.1175.8-67.4177.2000111.3E62 I63 L66 I88 D91 K96 L97 L98E62-L94 HydrophobicContact CG-CD1 4.27Å; I63-L94 HydrophobicContact CD1-CD2 4.23Å; I63-L94 HydrophobicContact CG1-CD1 3.85Å; I63-L94 HydrophobicContact CG1-CD2 3.81Å; I63-L94 HydrophobicContact CG1-CG 4.48Å; L66-L94 HydrophobicContact CD1-CD1 3.81Å; I88-L94 HydrophobicContact CG2-CB 4.42Å; D91-L94 HydrophobicContact CB-CB 4.1Å; D91-L94 HydrophobicContact CB-CD1 4.1Å; D91-L94 HydrophobicContact CB-CG 4.33Å; D91-L94 VanDerWaalsContact OD1-CB 3.27Å; D91-L94 WeakPolarHBondContact OD1-CB 3.44Å; D91-L94 VanDerWaalsContact OD1-CG 3.24Å; D91-L94 WeakPolarHBondContact OD1-CG 3.48Å; D91-L94 PolarHBondContact OD1-N 3.15Å; L94-K96 VanDerWaalsContact C-N 3.3Å; L94-K96 PolarHBondContact O-N 3.27Å; L94-L97 PolarHBondContact O-N 3.47Å; L94-L98 WeakPolarHBondContact O-CB 3.43Å; L94-L98 PolarHBondContact O-N 2.85Å
95N97.9Very high97.8Very high64 Ų6481.6 Ų81.634%0.34243%0.427SS..Hα-helixtrans-64.3-39.4176.3-173.545.1000111.1I88 R89 D91 L98 G99I88-N95 VanDerWaalsContact O-CA 3.3Å; I88-N95 WeakPolarHBondContact O-CA 3.36Å; I88-N95 VanDerWaalsContact O-CB 3.3Å; I88-N95 WeakPolarHBondContact O-CB 3.18Å; I88-N95 PolarHBondContact O-N 3.18Å; I88-N95 VanDerWaalsContact O-N 3.12Å; R89-N95 WeakPolarHBondContact CD-OD1 3.46Å; R89-N95 PolarHBondContact NH1-OD1 2.96Å; D91-N95 WeakPolarHBondContact O-CB 3.5Å; D91-N95 PolarHBondContact O-N 3.47Å; N95-L98 CarbonylContact O-C 3.31Å; N95-G99 WeakPolarHBondContact O-CA 3.35Å; N95-G99 PolarHBondContact O-N 3.19Å
96K98.1Very high97.7Very high181 Ų18180.9 Ų80.979%0.78742%0.424SS*.Hα-helixtrans-65.7-47.3174.2-175.5178.2-178.7177.80111.6E92 E93 L94 L98E92-K96 WeakPolarHBondContact O-CB 3.35Å; E92-K96 PolarHBondContact O-N 3.27Å; E93-K96 PolarHBondContact O-N 3.11Å; L94-K96 VanDerWaalsContact C-N 3.3Å; L94-K96 PolarHBondContact O-N 3.27Å; K96-L98 VanDerWaalsContact C-N 3.33Å; K96-L98 PolarHBondContact O-N 3.08Å
97L97.9Very high97.7Very high105 Ų10581.9 Ų81.955%0.5544%0.442SS..Hα-helixtrans-60.6-41.3178.9-179.662.2000111.9L59 E93 L94L59-L97 HydrophobicContact CD1-CD2 4.4Å; L59-L97 HydrophobicContact CD2-CD2 3.82Å; E93-L97 VanDerWaalsContact O-CB 3.31Å; E93-L97 WeakPolarHBondContact O-CB 3.44Å; E93-L97 PolarHBondContact O-N 2.92Å; L94-L97 PolarHBondContact O-N 3.47Å
98L97.6Very high97.6Very high39 Ų3986.8 Ų86.820%0.20447%0.471CS..THydrogen-bonded Turntrans-108.623.4-174.5-57.4177.3000112.8I63 I88 R89 L94 N95 K96 K100 V101I63-L98 HydrophobicContact CD1-CD1 4.22Å; I88-L98 HydrophobicContact CD1-CD1 3.7Å; I88-L98 HydrophobicContact CG1-CD1 4Å; I88-L98 HydrophobicContact CG2-CB 3.93Å; I88-L98 HydrophobicContact CG2-CD1 3.78Å; I88-L98 HydrophobicContact CG2-CG 4.43Å; R89-L98 PolarHBondContact NH1-O 3Å; L94-L98 WeakPolarHBondContact O-CB 3.43Å; L94-L98 PolarHBondContact O-N 2.85Å; N95-L98 CarbonylContact O-C 3.31Å; K96-L98 VanDerWaalsContact C-N 3.33Å; K96-L98 PolarHBondContact O-N 3.08Å; L98-K100 PolarHBondContact O-N 2.84Å; L98-V101 HydrophobicContact CB-CB 4.3Å; L98-V101 HydrophobicContact CB-CG2 4.36Å; L98-V101 HydrophobicContact CD2-CG2 4.06Å; L98-V101 PolarHBondContact O-N 2.86Å; L98-V101 VanDerWaalsContact O-N 3.08Å
99G95.6Very high97.4Very high49 Ų4989 Ų8951%0.50548%0.482SS..THydrogen-bonded Turntrans-63.5-26-171.900000114.3N95N95-G99 WeakPolarHBondContact O-CA 3.35Å; N95-G99 PolarHBondContact O-N 3.19Å
100K96.8Very high97.3Very high212 Ų21292.1 Ų92.192%0.92251%0.508SS*.THydrogen-bonded Turntrans-102.96.9178.2-61.5-177.6-178.3179.10113.7L98L98-K100 PolarHBondContact O-N 2.84Å
101V97.1Very high97.2Very high73 Ų7392.1 Ų92.144%0.44251%0.508SS..  trans-95.1127.7-178.8177.40000109.5R89 L98R89-V101 PolarHBondContact NH2-O 3.07Å; L98-V101 HydrophobicContact CB-CB 4.3Å; L98-V101 HydrophobicContact CB-CG2 4.36Å; L98-V101 HydrophobicContact CD2-CG2 4.06Å; L98-V101 PolarHBondContact O-N 2.86Å; L98-V101 VanDerWaalsContact O-N 3.08Å
102T97.4Very high97.1Very high131 Ų13195.7 Ų95.780%0.80453%0.526SS*.  trans-87.8124.4171.9-63.40000110
103I97.7Very high96.9Very high32 Ų3293.5 Ų93.516%0.16452%0.516CS..  trans-93.899.6173.3-55174.8000107.5P81 L84 Q85 I88 Q105 G106P81-I103 HydrophobicContact CB-CG2 4.43Å; L84-I103 HydrophobicContact CB-CG2 4.47Å; Q85-I103 HydrophobicContact CB-CD1 4.5Å; I88-I103 HydrophobicContact CB-CD1 4.3Å; I88-I103 HydrophobicContact CD1-CD1 3.59Å; I88-I103 HydrophobicContact CG2-CD1 4.46Å; I103-Q105 PolarHBondContact O-N 3.23Å; I103-G106 PolarHBondContact O-N 3.14Å
104A98.2Very high96.7Very high74 Ų7490.3 Ų90.361%0.61251%0.514SS*.THydrogen-bonded Turntrans-54.9135.8177.300000110.5P81 G106P81-A104 VanDerWaalsContact CB-O 3.3Å; P81-A104 WeakPolarHBondContact CB-O 3.42Å; A104-G106 PolarHBondContact O-N 3.28Å; A104-G106 VanDerWaalsContact O-N 3.15Å
105Q98Very high96.5Very high174 Ų17496.1 Ų96.181%0.81355%0.549SS*.THydrogen-bonded Turntrans62.311.2-176.9-53.8-63.3-28.800115.3P81 I103P81-Q105 HydrophobicContact CB-CB 4.03Å; P81-Q105 HydrophobicContact CG-CB 4.18Å; I103-Q105 PolarHBondContact O-N 3.23Å
106G97.8Very high96.4Very high1 Ų199.3 Ų99.31%0.0157%0.566CS.*  trans-79.4-23.2178.200000114.8R82 Q85 I103 A104R82-G106 WeakPolarHBondContact CD-O 3.4Å; R82-G106 PolarHBondContact NH1-O 3.36Å; R82-G106 VanDerWaalsContact NH1-O 3.07Å; Q85-G106 VanDerWaalsContact CB-O 3.32Å; Q85-G106 WeakPolarHBondContact CB-O 3.43Å; Q85-G106 WeakPolarHBondContact CG-O 3.39Å; I103-G106 PolarHBondContact O-N 3.14Å; A104-G106 PolarHBondContact O-N 3.28Å; A104-G106 VanDerWaalsContact O-N 3.15Å
107G96.6Very high96.2Very high51 Ų5195.4 Ų95.453%0.52655%0.553SS.*  trans65.9-154.5-168.200000111.9Q85Q85-G107 VanDerWaalsContact CD-O 3.23Å; Q85-G107 WeakPolarHBondContact CG-O 3.2Å; Q85-G107 PolarHBondContact NE2-O 3.06Å
108V96.3Very high95.9Very high110 Ų11096.1 Ų96.167%0.66756%0.564SS**  trans-127161.3179.4-62.60000111.2R82R82-V108 PolarHBondContact NH1-O 3.22Å; R82-V108 PolarHBondContact NH2-O 3.03Å
109L95.8Very high95.4Very high57 Ų57103.8 Ų103.830%0.29860%0.595SS.*  trans-58.5132.4167.3-71.2-174.8000108.7L86 R89 N111L86-L109 HydrophobicContact CD2-CD2 3.88Å; R89-L109 HydrophobicContact CB-CD1 3.61Å; R89-L109 HydrophobicContact CB-CD2 3.92Å; R89-L109 HydrophobicContact CB-CG 3.6Å; R89-L109 HydrophobicContact CG-CG 4.38Å; L109-N111 PolarHBondContact O-N 3.28Å; L109-N111 VanDerWaalsContact O-N 3.13Å
110P94.7Very high94.7Very high106 Ų106111.3 Ų111.369%0.68861%0.614SS**  trans-57.7121176-22.134.4000109.5
111N95.2Very high93.7Very high118 Ų118107.5 Ų107.563%0.63161%0.609SS**  trans-149.8133.1177.9-178.746.6000108.8L109 Q113L109-N111 PolarHBondContact O-N 3.28Å; L109-N111 VanDerWaalsContact O-N 3.13Å; N111-Q113 PolarHBondContact ND2-NE2 3.49Å
112I95.9Very high92.4Very high119 Ų119112 Ų11261%0.6163%0.625SS**  trans-117.5119.8175.9-59.6175.4000107.4L116 L117I112-L116 HydrophobicContact CG2-CB 4.24Å; I112-L117 HydrophobicContact CG2-CD2 3.84Å; I112-L117 HydrophobicContact CG2-CG 4.3Å
113Q94.3Very high91Very high118 Ų118110.3 Ų110.355%0.55162%0.619SS**  trans-66.8135.8175.3-63.4-64.4-1400109.8N111 V115 L116N111-Q113 PolarHBondContact ND2-NE2 3.49Å; Q113-V115 HydrophobicContact CB-CG1 4.06Å; Q113-V115 PolarHBondContact O-N 3.13Å; Q113-L116 HydrophobicContact CB-CD1 4.33Å; Q113-L116 HydrophobicContact CB-CG 4.35Å; Q113-L116 WeakPolarHBondContact O-CB 3.39Å; Q113-L116 PolarHBondContact O-N 3.4Å
114A93.7Very high89.2Confident77 Ų77117.1 Ų117.164%0.63665%0.649SS**G310 helixtrans-56.2-30-175.200000113.6L116 L117A114-L116 PolarHBondContact O-N 3Å; A114-L117 WeakPolarHBondContact O-CB 3.43Å; A114-L117 PolarHBondContact O-N 3.49Å; A114-L117 VanDerWaalsContact O-N 3.13Å
115V95.2Very high87.4Confident128 Ų128121.8 Ų121.878%0.77666%0.658SS**G310 helixtrans-62.8-25175.969.20000113.7Q113 L117Q113-V115 HydrophobicContact CB-CG1 4.06Å; Q113-V115 PolarHBondContact O-N 3.13Å; V115-L117 VanDerWaalsContact C-N 3.33Å
116L94.7Very high85.5Confident131 Ų131122.6 Ų122.669%0.68666%0.659SS**G310 helixtrans-84.9-9.2178.6-59.1177000112.4I112 Q113 A114I112-L116 HydrophobicContact CG2-CB 4.24Å; Q113-L116 HydrophobicContact CB-CD1 4.33Å; Q113-L116 HydrophobicContact CB-CG 4.35Å; Q113-L116 WeakPolarHBondContact O-CB 3.39Å; Q113-L116 PolarHBondContact O-N 3.4Å; A114-L116 PolarHBondContact O-N 3Å
117L93.6Very high83.7Confident99 Ų99127.1 Ų127.152%0.51870%0.697SS.*SBendtrans-77.6144.9176.3-62175.4000110.1I112 A114 V115 K119I112-L117 HydrophobicContact CG2-CD2 3.84Å; I112-L117 HydrophobicContact CG2-CG 4.3Å; A114-L117 WeakPolarHBondContact O-CB 3.43Å; A114-L117 PolarHBondContact O-N 3.49Å; A114-L117 VanDerWaalsContact O-N 3.13Å; V115-L117 VanDerWaalsContact C-N 3.33Å; L117-K119 PolarHBondContact O-N 3.2Å
118P92.6Very high81.8Confident120 Ų120134.8 Ų134.878%0.77972%0.715SS**PPolyproline II helixtrans-55.8135.4174.6-22.231.9000111K120P118-K120 PolarHBondContact O-N 2.91Å
119K85.8Confident80.1Confident199 Ų199132.9 Ų132.987%0.86572%0.718SS**PPolyproline II helixtrans-62.7127.4168.6-66.5-174.8180-179.10107.6L117 T121L117-K119 PolarHBondContact O-N 3.2Å; K119-T121 PolarHBondContact O-N 2.97Å
120K81.7Confident78.2Confident208 Ų208143.8 Ų143.890%0.90476%0.763SS**  trans-55.6110.9171.2-75-177177.1-179.40107.8P118P118-K120 PolarHBondContact O-N 2.91Å
121T75.4Confident77.4Confident131 Ų131145.7 Ų145.780%0.80477%0.767SS**  trans-69.6128.2165.143.70000107.4K119 S123K119-T121 PolarHBondContact O-N 2.97Å; T121-S123 PolarHBondContact O-N 3.41Å
122E70.7Confident76.4Confident169 Ų169147.2 Ų147.279%0.7977%0.774SS**  trans-54.8117.6169.6-67.3-170.716800108.1H124E122-H124 PolarHBondContact O-N 3.14Å
123S66.3Low75.3Confident95 Ų95148.7 Ų148.766%0.66478%0.783SS**  trans-62.6105.5171.952.10000106.9T121 H125T121-S123 PolarHBondContact O-N 3.41Å; S123-H125 PolarHBondContact O-N 3.43Å
124H61.2Low74.2Confident174 Ų174150.5 Ų150.581%0.80680%0.797SS**  trans-65.673.1167.3-73.5-70.3000109.1E122 K126E122-H124 PolarHBondContact O-N 3.14Å; H124-K126 PolarHBondContact O-N 2.78Å
125H60.4Low73Confident172 Ų172155.1 Ų155.180%0.79681%0.807SS**  trans-68.982.2154.8-91-56.6000106.5S123 A127S123-H125 PolarHBondContact O-N 3.43Å; H125-A127 PolarHBondContact O-N 3.26Å
126K57.5Low71.5Confident191 Ų191156.9 Ų156.983%0.8381%0.809SS**  trans-59.398.4155.4-102.3-178.9175.7175.60105.7H124 K128H124-K126 PolarHBondContact O-N 2.78Å; K126-K128 VanDerWaalsContact C-N 3.33Å; K126-K128 PolarHBondContact O-N 3.33Å
127A60.9Low69.9Low97 Ų97158.8 Ų158.880%0.80282%0.818SS**  trans-53.8103.9160.800000106.6H125 G129H125-A127 PolarHBondContact O-N 3.26Å; A127-G129 PolarHBondContact O-N 3.1Å
128K56.2Low68Low211 Ų211163.4 Ų163.492%0.91784%0.841SS**  trans-7280.9163.8-81.1-175.3174.8179.80106.4K126K126-K128 VanDerWaalsContact C-N 3.33Å; K126-K128 PolarHBondContact O-N 3.33Å
129G60.5Low66Low71 Ų71167 Ų16773%0.73285%0.846SS**  trans-102.799162.300000108A127A127-G129 PolarHBondContact O-N 3.1Å
130K55.4Low64.2Low286 Ų286164.1 Ų164.1100%1.24384%0.844SS**  trans-124.60154.6-93.4-165.8175.9-170.70106.2

Retrieved 130 of 130 residues in 24.9 ms (Link to these results)